smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000129947649 939032382 /nfs/dbraw/zinc/03/23/82/939032382.db2.gz KELHIIKDKXGRPV-LBPRGKRZSA-N -1 0 324.789 3.657 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000191480328 939037596 /nfs/dbraw/zinc/03/75/96/939037596.db2.gz CVNFWAMAGLDEKM-INIZCTEOSA-N -1 0 323.348 3.605 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)o1 ZINC000191490393 939038679 /nfs/dbraw/zinc/03/86/79/939038679.db2.gz IROANULUAHYBDT-KRWDZBQOSA-N -1 0 323.348 3.605 20 0 DHADRM CC(C)c1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000314696323 939120807 /nfs/dbraw/zinc/12/08/07/939120807.db2.gz ACRLJSRVUWGJAF-UHFFFAOYSA-N -1 0 304.390 3.719 20 0 DHADRM CSc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000315757459 939121466 /nfs/dbraw/zinc/12/14/66/939121466.db2.gz OLUUXKXWSQFGHJ-AWEZNQCLSA-N -1 0 322.430 3.564 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc3ccc(F)cc3s2)CCCCC1 ZINC000316148176 939122274 /nfs/dbraw/zinc/12/22/74/939122274.db2.gz BTDYRSVJCDDKLO-UHFFFAOYSA-N -1 0 321.373 3.558 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000322753227 939125069 /nfs/dbraw/zinc/12/50/69/939125069.db2.gz DTYRGOIQLWJQSV-SVGFKBNWSA-N -1 0 315.413 3.535 20 0 DHADRM C[C@](NC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000324353554 939125393 /nfs/dbraw/zinc/12/53/93/939125393.db2.gz PJWFRBJKMTXFMY-HXUWFJFHSA-N -1 0 319.360 3.570 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2cccc(C(F)F)c2)CCCCC1 ZINC000386446406 939132825 /nfs/dbraw/zinc/13/28/25/939132825.db2.gz PTFFIYGYSKIFAJ-UHFFFAOYSA-N -1 0 312.316 3.533 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000569745426 939377876 /nfs/dbraw/zinc/37/78/76/939377876.db2.gz QNCIEIOIUQXXIV-BXUZGUMPSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000570759721 939385757 /nfs/dbraw/zinc/38/57/57/939385757.db2.gz HJWSRRXIEQFLAV-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000570986556 939387982 /nfs/dbraw/zinc/38/79/82/939387982.db2.gz GXCYESJXPWJJKR-JSGCOSHPSA-N -1 0 309.431 3.597 20 0 DHADRM CCSCc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000595990009 939802577 /nfs/dbraw/zinc/80/25/77/939802577.db2.gz SBDABPCWAIBYDS-HNNXBMFYSA-N -1 0 321.442 3.769 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000630192097 939816195 /nfs/dbraw/zinc/81/61/95/939816195.db2.gz VJGGXKPACMTOME-AWEZNQCLSA-N -1 0 317.410 3.537 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc3c(cccc3Cl)s2)CCCC1 ZINC000642146453 939825052 /nfs/dbraw/zinc/82/50/52/939825052.db2.gz BTVGRQQKYSXVTE-UHFFFAOYSA-N -1 0 323.801 3.682 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000656242190 939841531 /nfs/dbraw/zinc/84/15/31/939841531.db2.gz WBJGFTDMILBGQU-CQSZACIVSA-N -1 0 317.410 3.601 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000321463151 970774674 /nfs/dbraw/zinc/77/46/74/970774674.db2.gz YVWIELCQQOVRAS-AWEZNQCLSA-N -1 0 316.332 3.797 20 0 DHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@@H]1CCc2ccccc21 ZINC000321644015 970793174 /nfs/dbraw/zinc/79/31/74/970793174.db2.gz PVKHPVXZLVTUNX-MRXNPFEDSA-N -1 0 315.413 3.558 20 0 DHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCCCCCC(=O)[O-])(C3)C2 ZINC000321909416 970824016 /nfs/dbraw/zinc/82/40/16/970824016.db2.gz WQRVIDQGTFBCTJ-MYMYQCDVSA-N -1 0 321.461 3.744 20 0 DHADRM O=C([O-])c1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1F ZINC000324213333 971097125 /nfs/dbraw/zinc/09/71/25/971097125.db2.gz OOPRGPIRUVRHHL-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC001602444161 971200560 /nfs/dbraw/zinc/20/05/60/971200560.db2.gz GSBDATMJWQKJEO-UHFFFAOYSA-N -1 0 322.364 3.706 20 0 DHADRM COc1ccc(N(C)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000032202414 948800207 /nfs/dbraw/zinc/80/02/07/948800207.db2.gz HXZBKCPPAPCVCS-UHFFFAOYSA-N -1 0 305.761 3.683 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000037833351 948845101 /nfs/dbraw/zinc/84/51/01/948845101.db2.gz WUZLDDQMUSWTOU-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000050922880 948920557 /nfs/dbraw/zinc/92/05/57/948920557.db2.gz LJJPMDMKLFRDKK-ZDUSSCGKSA-N -1 0 310.781 3.591 20 0 DHADRM CC[C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001589578822 948993350 /nfs/dbraw/zinc/99/33/50/948993350.db2.gz PGJJHDQFRPVXNK-GBIKHYSHSA-N -1 0 314.740 3.584 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1sc2ccccc2c1Cl ZINC000079475908 949005641 /nfs/dbraw/zinc/00/56/41/949005641.db2.gz GPQCUMOXEGUOJO-HNNXBMFYSA-N -1 0 323.801 3.634 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001589591343 949088026 /nfs/dbraw/zinc/08/80/26/949088026.db2.gz OUAXIRPQMGCLCV-KXBFYZLASA-N -1 0 317.429 3.592 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(c2nc3ccc(F)cc3s2)C1 ZINC001589607425 949301689 /nfs/dbraw/zinc/30/16/89/949301689.db2.gz HLWUKROAQXIVSI-OAHLLOKOSA-N -1 0 308.378 3.517 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC001595227821 949331025 /nfs/dbraw/zinc/33/10/25/949331025.db2.gz FAPHNQWSSGXPEC-WKILWMFISA-N -1 0 315.413 3.608 20 0 DHADRM CCC1(CC)CCC(NC(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001589612411 949333523 /nfs/dbraw/zinc/33/35/23/949333523.db2.gz LIQIEDJHSDDKMT-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM O=C([O-])c1cccc(CNc2nc3ccccc3n2C2CC2)c1 ZINC001595244778 949504419 /nfs/dbraw/zinc/50/44/19/949504419.db2.gz NBITYHIMYUQJKF-UHFFFAOYSA-N -1 0 307.353 3.682 20 0 DHADRM CCCC(=CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])CCC ZINC001589627375 949510664 /nfs/dbraw/zinc/51/06/64/949510664.db2.gz QPJBDDUQDUPRBY-SFHVURJKSA-N -1 0 315.413 3.724 20 0 DHADRM CSCc1ccccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000191622243 949511837 /nfs/dbraw/zinc/51/18/37/949511837.db2.gz JIPOXPODYSCGSX-UHFFFAOYSA-N -1 0 301.367 3.500 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)C1(C(=O)[O-])CCCCC1 ZINC001589627580 949514248 /nfs/dbraw/zinc/51/42/48/949514248.db2.gz VMRDNFMMBMCJPA-HNNXBMFYSA-N -1 0 301.386 3.515 20 0 DHADRM O=C([O-])c1cccc(NC(=O)C2(CCc3ccccc3)CC2)c1 ZINC001595248950 949533862 /nfs/dbraw/zinc/53/38/62/949533862.db2.gz SEQPFNCVBSVIAP-UHFFFAOYSA-N -1 0 309.365 3.736 20 0 DHADRM CCC[C@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589631034 949540830 /nfs/dbraw/zinc/54/08/30/949540830.db2.gz XHXZWEMDTRYAMA-FCEWJHQRSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000217268903 949549164 /nfs/dbraw/zinc/54/91/64/949549164.db2.gz JKJXNUBEADIGPW-INIZCTEOSA-N -1 0 312.369 3.584 20 0 DHADRM CCC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCC1 ZINC001589633759 949581349 /nfs/dbraw/zinc/58/13/49/949581349.db2.gz HFYFHROFIZSRFG-HOCLYGCPSA-N -1 0 324.465 3.632 20 0 DHADRM CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001589633798 949582326 /nfs/dbraw/zinc/58/23/26/949582326.db2.gz HURUVOJHLBOORB-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM O=C([O-])c1ccccc1CNc1nc(Cl)nc2ccccc21 ZINC001595255031 949585308 /nfs/dbraw/zinc/58/53/08/949585308.db2.gz DAISPWKBTMZABA-UHFFFAOYSA-N -1 0 313.744 3.594 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589637258 949624311 /nfs/dbraw/zinc/62/43/11/949624311.db2.gz ASVCKPWBMDBTOK-HOCLYGCPSA-N -1 0 318.417 3.543 20 0 DHADRM CCCCc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001589656149 949821749 /nfs/dbraw/zinc/82/17/49/949821749.db2.gz TYNMBLZLXYSUPF-UHFFFAOYSA-N -1 0 305.418 3.602 20 0 DHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001589686496 950081019 /nfs/dbraw/zinc/08/10/19/950081019.db2.gz JNFYLJVMFOZREJ-MWLCHTKSSA-N -1 0 307.415 3.700 20 0 DHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000263141715 950292121 /nfs/dbraw/zinc/29/21/21/950292121.db2.gz ZRPFTDPHPLXKIW-UHFFFAOYSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000263157865 950300330 /nfs/dbraw/zinc/30/03/30/950300330.db2.gz FXUCJKRMFRMZPP-GXSJLCMTSA-N -1 0 302.201 3.536 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC000263204975 950324696 /nfs/dbraw/zinc/32/46/96/950324696.db2.gz YAGBNWPZXIAUSJ-CABZTGNLSA-N -1 0 324.808 3.531 20 0 DHADRM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)c2ccccc21 ZINC000380186248 971683113 /nfs/dbraw/zinc/68/31/13/971683113.db2.gz BUCKYRJIWHABGI-LLVKDONJSA-N -1 0 307.802 3.980 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-] ZINC001602859225 971708304 /nfs/dbraw/zinc/70/83/04/971708304.db2.gz BKVZVCNKHBFLLK-BARDWOONSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001594990613 951042459 /nfs/dbraw/zinc/04/24/59/951042459.db2.gz NQXSYQHYHHUXJT-AWEZNQCLSA-N -1 0 315.413 3.671 20 0 DHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001594990614 951042719 /nfs/dbraw/zinc/04/27/19/951042719.db2.gz NQXSYQHYHHUXJT-CQSZACIVSA-N -1 0 315.413 3.671 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000325031407 951078962 /nfs/dbraw/zinc/07/89/62/951078962.db2.gz MDCZSIPCNOOVQT-HNNXBMFYSA-N -1 0 323.392 3.681 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2nccc3ccccc32)c1 ZINC000325408392 951084130 /nfs/dbraw/zinc/08/41/30/951084130.db2.gz SGHRZRGHIQLTKB-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])c1ncc(C(F)(F)F)cc1Cl ZINC001602867392 971729872 /nfs/dbraw/zinc/72/98/72/971729872.db2.gz OHWKBFIEQMSXPT-UHFFFAOYSA-N -1 0 324.730 3.691 20 0 DHADRM Cc1ccccc1CCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000392458338 951420495 /nfs/dbraw/zinc/42/04/95/951420495.db2.gz BCPIQXGQPKAGIS-QGZVFWFLSA-N -1 0 323.392 3.533 20 0 DHADRM O=C([O-])CCc1cccc(Nc2ncnc3ccc(F)cc32)c1 ZINC001595066503 951552896 /nfs/dbraw/zinc/55/28/96/951552896.db2.gz MYDGYIQLWKCWKS-UHFFFAOYSA-N -1 0 311.316 3.530 20 0 DHADRM CC(C)(C)c1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC001602922929 971882471 /nfs/dbraw/zinc/88/24/71/971882471.db2.gz GIVDXYFDUPIGBO-UHFFFAOYSA-N -1 0 313.353 3.640 20 0 DHADRM CC(C)(C)c1ccccc1COC(=O)C1(CC(=O)[O-])CCC1 ZINC001602922876 971882634 /nfs/dbraw/zinc/88/26/34/971882634.db2.gz DCVGGBMCMAUIKG-UHFFFAOYSA-N -1 0 304.386 3.672 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593598551 953388987 /nfs/dbraw/zinc/38/89/87/953388987.db2.gz NWCPNGHRZKHAKC-LBPRGKRZSA-N -1 0 313.806 3.501 20 0 DHADRM CCSc1nnc(SCc2cccc(C(=O)[O-])c2)s1 ZINC001593598858 953395085 /nfs/dbraw/zinc/39/50/85/953395085.db2.gz ZOVALKALYQEIJL-UHFFFAOYSA-N -1 0 312.441 3.641 20 0 DHADRM CC[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001593604343 953421655 /nfs/dbraw/zinc/42/16/55/953421655.db2.gz BZYGHAKPXPMGLW-RRFJBIMHSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1cc(Cl)c(NC(=O)NCCC(C)(C)C(=O)[O-])cc1C ZINC000424392159 953457719 /nfs/dbraw/zinc/45/77/19/953457719.db2.gz SAOHFJZKBDGVFM-UHFFFAOYSA-N -1 0 312.797 3.579 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533188790 953567784 /nfs/dbraw/zinc/56/77/84/953567784.db2.gz RSFHUMGAPWNZTP-RDJZCZTQSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)Nc1ccc(C2CC2)cc1 ZINC001594772001 953568990 /nfs/dbraw/zinc/56/89/90/953568990.db2.gz LVNBBRVINSQSAZ-UHFFFAOYSA-N -1 0 310.353 3.584 20 0 DHADRM CCc1ccc(CC)c(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001593637747 953620903 /nfs/dbraw/zinc/62/09/03/953620903.db2.gz HSNMRVKBARYXJG-SFHVURJKSA-N -1 0 301.386 3.561 20 0 DHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000618020518 953788885 /nfs/dbraw/zinc/78/88/85/953788885.db2.gz DBLNGIKFICZSTH-BQBZGAKWSA-N -1 0 322.213 3.527 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000619963727 953789988 /nfs/dbraw/zinc/78/99/88/953789988.db2.gz WPURTYRMBVKFER-UHFFFAOYSA-N -1 0 303.280 3.535 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 ZINC000630156615 953841902 /nfs/dbraw/zinc/84/19/02/953841902.db2.gz MWLKQZMADGXVJA-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001589319343 953843569 /nfs/dbraw/zinc/84/35/69/953843569.db2.gz IHTUHUOHAJGXEZ-RDBSUJKOSA-N -1 0 318.417 3.650 20 0 DHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589319935 953849467 /nfs/dbraw/zinc/84/94/67/953849467.db2.gz RYYASRDFMJIJGQ-QWHCGFSZSA-N -1 0 304.390 3.723 20 0 DHADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC001593676793 953937040 /nfs/dbraw/zinc/93/70/40/953937040.db2.gz VFGPMUCQCRXRIG-CQSZACIVSA-N -1 0 305.418 3.694 20 0 DHADRM C[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC12CCCCC2 ZINC001589334884 953983656 /nfs/dbraw/zinc/98/36/56/953983656.db2.gz BKRMVVXTOOULQP-KBPBESRZSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1cc2occc2s1)C(=O)[O-] ZINC000648449483 953986255 /nfs/dbraw/zinc/98/62/55/953986255.db2.gz ZDMKCGZDGMWUAU-VIFPVBQESA-N -1 0 309.387 3.504 20 0 DHADRM C[C@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001589338237 954014746 /nfs/dbraw/zinc/01/47/46/954014746.db2.gz UOKDRGRWGPYJEX-CRALRDPISA-N -1 0 311.337 3.531 20 0 DHADRM O=C([O-])CCCCCNC(=O)C1(c2ccccc2Cl)CCC1 ZINC000652058289 954035803 /nfs/dbraw/zinc/03/58/03/954035803.db2.gz QJZUNBDSJXONCO-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001602970937 971981045 /nfs/dbraw/zinc/98/10/45/971981045.db2.gz YYJILOPMNOKPQS-SNVBAGLBSA-N -1 0 323.698 3.654 20 0 DHADRM CC(C)[C@@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001602973986 971981856 /nfs/dbraw/zinc/98/18/56/971981856.db2.gz BHHUKGZUGONLQJ-OAHLLOKOSA-N -1 0 312.369 3.548 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC34CCC4)c2C(=O)[O-])C1 ZINC001589362835 954163049 /nfs/dbraw/zinc/16/30/49/954163049.db2.gz SFJBRVBJNODOGY-KOLCDFICSA-N -1 0 319.426 3.700 20 0 DHADRM CC(C)CC1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653333612 954165471 /nfs/dbraw/zinc/16/54/71/954165471.db2.gz RDANMEDQNMPLBZ-HZPDHXFCSA-N -1 0 315.413 3.632 20 0 DHADRM 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3.565 20 0 DHADRM C[C@@H]1CCc2sc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2C1 ZINC000013094811 956945398 /nfs/dbraw/zinc/94/53/98/956945398.db2.gz BQSCMBCGYNOIJX-SNVBAGLBSA-N -1 0 315.394 3.823 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013095014 956946550 /nfs/dbraw/zinc/94/65/50/956946550.db2.gz XLPKVOPROCOBOS-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000013166673 956946928 /nfs/dbraw/zinc/94/69/28/956946928.db2.gz JHVNQGWFWJPRSY-UHFFFAOYSA-N -1 0 301.367 3.577 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1ccccc1 ZINC000013169829 956953673 /nfs/dbraw/zinc/95/36/73/956953673.db2.gz RKRDHALENDDIEM-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCC2 ZINC000013187424 956971404 /nfs/dbraw/zinc/97/14/04/956971404.db2.gz JOAXWGVDNBCFJJ-UHFFFAOYSA-N -1 0 315.756 3.779 20 0 DHADRM O=C([O-])C1(NC(=O)/C(F)=C/C2CCCCC2)CCCCCC1 ZINC001594721541 956973305 /nfs/dbraw/zinc/97/33/05/956973305.db2.gz 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/nfs/dbraw/zinc/05/50/26/957055026.db2.gz ATPRNLUENISDCR-UHFFFAOYSA-N -1 0 324.332 3.633 20 0 DHADRM Cc1ccc2c(COc3ccc(C(=O)[O-])cc3)cc(=O)oc2c1C ZINC000013412801 957055235 /nfs/dbraw/zinc/05/52/35/957055235.db2.gz KYYLQOHNEDWDAL-UHFFFAOYSA-N -1 0 324.332 3.687 20 0 DHADRM CCOc1ccc(C(C)=O)cc1COc1cccc(C(=O)[O-])c1 ZINC000013418904 957059648 /nfs/dbraw/zinc/05/96/48/957059648.db2.gz SFQIOSRMQPWFBJ-UHFFFAOYSA-N -1 0 314.337 3.565 20 0 DHADRM O=C([O-])CCCCC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000911650768 957086249 /nfs/dbraw/zinc/08/62/49/957086249.db2.gz GMKAKXCMHXABDQ-UHFFFAOYSA-N -1 0 323.392 3.710 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2s1 ZINC000013449970 957087725 /nfs/dbraw/zinc/08/77/25/957087725.db2.gz FQRPMEYSOLRBEW-UHFFFAOYSA-N -1 0 323.373 3.802 20 0 DHADRM CCCCOc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000031979592 957172283 /nfs/dbraw/zinc/17/22/83/957172283.db2.gz FGYXIEQQZDUWKE-UONOGXRCSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1oc(COc2cccc(Br)c2)cc1C(=O)[O-] ZINC000035431711 957211644 /nfs/dbraw/zinc/21/16/44/957211644.db2.gz LXQMBNFGHOQGES-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM CCC[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000036831875 957239933 /nfs/dbraw/zinc/23/99/33/957239933.db2.gz PHZUTXZTYBKTNK-SECBINFHSA-N -1 0 311.790 3.538 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001122291829 957241771 /nfs/dbraw/zinc/24/17/71/957241771.db2.gz ONVODVRPXOUGES-BEFAXECRSA-N -1 0 317.429 3.674 20 0 DHADRM O=C([O-])c1ccc(OCc2csc(Br)c2)cc1 ZINC000037224427 957265829 /nfs/dbraw/zinc/26/58/29/957265829.db2.gz LDQXFOLERIRQGZ-UHFFFAOYSA-N -1 0 313.172 3.788 20 0 DHADRM O=C([O-])c1cccnc1SCCSc1ccccc1F ZINC000037414503 957281480 /nfs/dbraw/zinc/28/14/80/957281480.db2.gz WENBSLJPEQVVBP-UHFFFAOYSA-N -1 0 309.387 3.803 20 0 DHADRM CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000037448853 957290077 /nfs/dbraw/zinc/29/00/77/957290077.db2.gz AIHRGLUOCDABBB-UHFFFAOYSA-N -1 0 301.433 3.535 20 0 DHADRM Cc1c2ccccc2oc1C(=O)Nc1sccc1C(=O)[O-] ZINC000037450535 957293296 /nfs/dbraw/zinc/29/32/96/957293296.db2.gz FKJSKCHVSIBWQO-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM CCCC[C@H](C)N(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001263073088 957296699 /nfs/dbraw/zinc/29/66/99/957296699.db2.gz RPGWNRYBPCDPRB-APHBMKBZSA-N -1 0 318.417 3.520 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)c(F)cc1F ZINC000037500346 957305003 /nfs/dbraw/zinc/30/50/03/957305003.db2.gz AMQBFLBSSJYSAE-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CSc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000040215573 957360005 /nfs/dbraw/zinc/36/00/05/957360005.db2.gz VRXFOXLTIUKLPB-UHFFFAOYSA-N -1 0 307.415 3.772 20 0 DHADRM Cc1c(NC(=O)c2cc(Cl)ccc2F)cccc1C(=O)[O-] ZINC000040433019 957362443 /nfs/dbraw/zinc/36/24/43/957362443.db2.gz OMFLEVVOKDNPKB-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC000040520094 957372090 /nfs/dbraw/zinc/37/20/90/957372090.db2.gz WQQQAGLITDBZIC-UHFFFAOYSA-N -1 0 312.797 3.805 20 0 DHADRM O=C([O-])CCCCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040537275 957374270 /nfs/dbraw/zinc/37/42/70/957374270.db2.gz SIXIBHNAFRWXFN-UHFFFAOYSA-N -1 0 319.188 3.760 20 0 DHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000040558253 957375898 /nfs/dbraw/zinc/37/58/98/957375898.db2.gz ASJKUYPKVHRILQ-UHFFFAOYSA-N -1 0 319.188 3.760 20 0 DHADRM CC(C)Oc1ccc(Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000041536262 957390221 /nfs/dbraw/zinc/39/02/21/957390221.db2.gz WDAJZTPPBRNBKM-UHFFFAOYSA-N -1 0 306.387 3.691 20 0 DHADRM CC[C@](NCc1nc(C)cs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000041812537 957397786 /nfs/dbraw/zinc/39/77/86/957397786.db2.gz ABNAHTUZLQFDBW-OAHLLOKOSA-N -1 0 324.833 3.585 20 0 DHADRM Cc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])s3)cc2c1 ZINC000042893295 957429798 /nfs/dbraw/zinc/42/97/98/957429798.db2.gz HSVKSFRFHUTCAY-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM O=C([O-])/C=C/c1ccc(OCCSCc2ccco2)cc1 ZINC000049627978 957480112 /nfs/dbraw/zinc/48/01/12/957480112.db2.gz NOWIBJDTDIAYCL-VMPITWQZSA-N -1 0 304.367 3.690 20 0 DHADRM O=C([O-])c1cccc(CSc2nnc(-c3cccs3)o2)c1 ZINC000050107321 957483661 /nfs/dbraw/zinc/48/36/61/957483661.db2.gz RXXPODSQJOZAOS-UHFFFAOYSA-N -1 0 318.379 3.789 20 0 DHADRM Cc1nnc(SCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000051037514 957501989 /nfs/dbraw/zinc/50/19/89/957501989.db2.gz SCLGCONXOHLMJO-UHFFFAOYSA-N -1 0 306.368 3.583 20 0 DHADRM O=C([O-])c1cnc(NCc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000053159018 957516467 /nfs/dbraw/zinc/51/64/67/957516467.db2.gz YJYJXZHVUVGFFY-UHFFFAOYSA-N -1 0 315.131 3.838 20 0 DHADRM O=C([O-])c1cnc(N[C@@H]2CCCc3sccc32)c(Cl)c1 ZINC000061368021 957579875 /nfs/dbraw/zinc/57/98/75/957579875.db2.gz JNJCVROJUMXRRT-LLVKDONJSA-N -1 0 308.790 3.984 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccsc1 ZINC000061370725 957580892 /nfs/dbraw/zinc/58/08/92/957580892.db2.gz AUKXUSOWIWKDKM-QMMMGPOBSA-N -1 0 324.789 3.982 20 0 DHADRM N#C/C(=C/c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC000065203166 957639096 /nfs/dbraw/zinc/63/90/96/957639096.db2.gz CFOWKEPBVCCZDN-WZUFQYTHSA-N -1 0 301.248 3.749 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1 ZINC000066143350 957640842 /nfs/dbraw/zinc/64/08/42/957640842.db2.gz JLWMNDABCIXCDA-RMKNXTFCSA-N -1 0 302.713 3.657 20 0 DHADRM COCc1cc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CCN3)cs1 ZINC001594027905 957725701 /nfs/dbraw/zinc/72/57/01/957725701.db2.gz HTILHNZVGFOCCQ-ZDUSSCGKSA-N -1 0 303.383 3.545 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc(C)c1F ZINC001594280751 957738037 /nfs/dbraw/zinc/73/80/37/957738037.db2.gz HKBFLDLBKQOYEW-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC001594281115 957744290 /nfs/dbraw/zinc/74/42/90/957744290.db2.gz RHKXZNDYQMUXHX-CQSZACIVSA-N -1 0 317.410 3.563 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC[C@H]2CCc3ccccc32)c1 ZINC001594284617 957766600 /nfs/dbraw/zinc/76/66/00/957766600.db2.gz AEVFCIGYXVHRCH-OAHLLOKOSA-N -1 0 323.392 3.543 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](CC(C)C)C2)c1 ZINC001594285750 957777959 /nfs/dbraw/zinc/77/79/59/957777959.db2.gz XEEBNHICRPTNPI-CQSZACIVSA-N -1 0 303.402 3.592 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2ccc(CF)cc2)c1 ZINC001594288850 957803895 /nfs/dbraw/zinc/80/38/95/957803895.db2.gz CBOAXUQINSMCRL-UHFFFAOYSA-N -1 0 302.301 3.520 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(OC(C)C)cc2)c1 ZINC001594288901 957804315 /nfs/dbraw/zinc/80/43/15/957804315.db2.gz FHTLCYYYOCRIPL-UHFFFAOYSA-N -1 0 314.337 3.700 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC001574807081 957858728 /nfs/dbraw/zinc/85/87/28/957858728.db2.gz FEJFVVOSUYLCRG-MSOLQXFVSA-N -1 0 323.392 3.699 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)c2cc3ccccc3cc2F)c1 ZINC001574809996 957874125 /nfs/dbraw/zinc/87/41/25/957874125.db2.gz ZOHDQOHDPDNAEM-UHFFFAOYSA-N -1 0 323.323 3.607 20 0 DHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cncc(O)c2)cc1 ZINC000339955035 1013162649 /nfs/dbraw/zinc/16/26/49/1013162649.db2.gz IUTOTDUWNXZHDE-KBXCAEBGSA-N -1 0 310.397 3.709 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001574820616 957907836 /nfs/dbraw/zinc/90/78/36/957907836.db2.gz SUOZLUUEHKOMQB-UHFFFAOYSA-N -1 0 317.700 3.630 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594310120 958003624 /nfs/dbraw/zinc/00/36/24/958003624.db2.gz DDTFKNMIFMSVAU-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM COc1cc(C)c(OC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001594054504 958018051 /nfs/dbraw/zinc/01/80/51/958018051.db2.gz PGKQGXDPRLPCDG-UHFFFAOYSA-N -1 0 314.337 3.538 20 0 DHADRM O=C([O-])CC1(COc2ccc(Br)cc2Cl)CC1 ZINC000088256502 958050802 /nfs/dbraw/zinc/05/08/02/958050802.db2.gz QRDLJCHSCMXKGI-UHFFFAOYSA-N -1 0 319.582 3.736 20 0 DHADRM Cc1cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC001594323504 958142960 /nfs/dbraw/zinc/14/29/60/958142960.db2.gz NLNMEOGWADLAEG-FZNQNYSPSA-N -1 0 324.380 3.647 20 0 DHADRM O=C([O-])c1nc(N2CCCCCC2)sc1-c1ccccc1 ZINC000091960214 958154170 /nfs/dbraw/zinc/15/41/70/958154170.db2.gz DEHFVFSCZBVXOW-UHFFFAOYSA-N -1 0 302.399 3.889 20 0 DHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CSc3ccccc32)s1 ZINC000092237777 958162441 /nfs/dbraw/zinc/16/24/41/958162441.db2.gz WYAFKYBLTLRLKP-LLVKDONJSA-N -1 0 319.407 3.583 20 0 DHADRM Cc1cc(NCc2c(Cl)n[nH]c2C2CC2)ccc1C(=O)[O-] ZINC001594325870 958173167 /nfs/dbraw/zinc/17/31/67/958173167.db2.gz PTRIMYZTENKVOS-UHFFFAOYSA-N -1 0 305.765 3.559 20 0 DHADRM C[C@@](NC(=O)/C(F)=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603216380 972330994 /nfs/dbraw/zinc/33/09/94/972330994.db2.gz RUUIYOJKWMVDQD-NZHZHZHDSA-N -1 0 319.376 3.536 20 0 DHADRM CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432245 958246045 /nfs/dbraw/zinc/24/60/45/958246045.db2.gz ZPFXKQRKULUHMT-UHFFFAOYSA-N -1 0 303.280 3.922 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccc(C3CCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC001552981735 958319394 /nfs/dbraw/zinc/31/93/94/958319394.db2.gz HQBIHAKRTBURJH-CXAGYDPISA-N -1 0 315.413 3.527 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001594349471 958336159 /nfs/dbraw/zinc/33/61/59/958336159.db2.gz IRTUVJIQRZVDJK-AWEZNQCLSA-N -1 0 311.381 3.535 20 0 DHADRM COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(O)c1 ZINC000443566759 1013173209 /nfs/dbraw/zinc/17/32/09/1013173209.db2.gz NGUMZGBDZBHVNE-UHFFFAOYSA-N -1 0 309.321 3.512 20 0 DHADRM C[C@](NC(=O)C[C@@H]1CCCCC1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603220639 972341849 /nfs/dbraw/zinc/34/18/49/972341849.db2.gz VGDDZCWOOTXWLC-HNAYVOBHSA-N -1 0 317.429 3.709 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594366798 958497812 /nfs/dbraw/zinc/49/78/12/958497812.db2.gz RIMJKSYLYACSSK-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM COc1ccc([C@H](C)OC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594112409 958527175 /nfs/dbraw/zinc/52/71/75/958527175.db2.gz PJRGJPTWISWCCW-ZDUSSCGKSA-N -1 0 320.385 3.725 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588480804 958590238 /nfs/dbraw/zinc/59/02/38/958590238.db2.gz KSBSJLHDWSUZEB-REZBVGGZSA-N -1 0 315.413 3.644 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573389366 958684981 /nfs/dbraw/zinc/68/49/81/958684981.db2.gz DGOMHXUJQMVRNI-OLZOCXBDSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC001573391632 958704941 /nfs/dbraw/zinc/70/49/41/958704941.db2.gz VDHSFZCYKUFKNA-AWEZNQCLSA-N -1 0 313.397 3.584 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H](C)CCC(C)(C)C)C(=O)[O-])c1 ZINC001594390259 958704876 /nfs/dbraw/zinc/70/48/76/958704876.db2.gz IDCRDFHYYHGPDG-HIFRSBDPSA-N -1 0 305.418 3.699 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-] ZINC001573424414 958784125 /nfs/dbraw/zinc/78/41/25/958784125.db2.gz HNUFAHXMHDJFFX-OAHLLOKOSA-N -1 0 303.402 3.573 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2cccc(Cl)c2C)C(=O)[O-])c1 ZINC001594398962 958816073 /nfs/dbraw/zinc/81/60/73/958816073.db2.gz HOEHXPZTPSUPNQ-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)OCC2CCCCC2)c2ccccc21 ZINC001605743231 972386496 /nfs/dbraw/zinc/38/64/96/972386496.db2.gz IAHDWOXHPFOSSB-CVEARBPZSA-N -1 0 317.385 3.606 20 0 DHADRM Cc1cccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1Cl ZINC001594408107 958919261 /nfs/dbraw/zinc/91/92/61/958919261.db2.gz AIXVSHDXKAOHMG-VURMDHGXSA-N -1 0 306.701 3.558 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001573462682 958920390 /nfs/dbraw/zinc/92/03/90/958920390.db2.gz JHMJXFPOJXFJRW-TWGQIWQCSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cccc2oc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc21 ZINC001594413708 958975125 /nfs/dbraw/zinc/97/51/25/958975125.db2.gz WQCCXUXYKPYYJQ-ZDUSSCGKSA-N -1 0 317.385 3.608 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC001573485208 958993343 /nfs/dbraw/zinc/99/33/43/958993343.db2.gz XUVKLQLOWCOPSW-ZBFHGGJFSA-N -1 0 317.429 3.595 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC001573489863 959008075 /nfs/dbraw/zinc/00/80/75/959008075.db2.gz KDLQIYQWKWVNEK-KRWDZBQOSA-N -1 0 312.365 3.540 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573509849 959087111 /nfs/dbraw/zinc/08/71/11/959087111.db2.gz SYENABINDXCARX-UHFFFAOYSA-N -1 0 307.390 3.737 20 0 DHADRM CC(C)CC1(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCC1 ZINC001573516716 959102236 /nfs/dbraw/zinc/10/22/36/959102236.db2.gz FOFIDAFLMYNQPF-SOFGYWHQSA-N -1 0 319.401 3.714 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001573517054 959107665 /nfs/dbraw/zinc/10/76/65/959107665.db2.gz QHMAHKLLFQFVBR-HNNXBMFYSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573518291 959118844 /nfs/dbraw/zinc/11/88/44/959118844.db2.gz UYNPZONOKLFHMP-UHFFFAOYSA-N -1 0 321.421 3.706 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001573529680 959159506 /nfs/dbraw/zinc/15/95/06/959159506.db2.gz VSXIMEQBJIHYKJ-MRXNPFEDSA-N -1 0 303.402 3.573 20 0 DHADRM O=C(NC[C@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1F ZINC000294591245 1032069803 /nfs/dbraw/zinc/06/98/03/1032069803.db2.gz MLPQKEWXZBUYPB-CYBMUJFWSA-N -1 0 317.335 3.594 20 0 DHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001594206426 959270595 /nfs/dbraw/zinc/27/05/95/959270595.db2.gz CUHMDUVPJYGVDQ-VHDGCEQUSA-N -1 0 311.381 3.518 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000392154232 972417520 /nfs/dbraw/zinc/41/75/20/972417520.db2.gz MIWBEWJXSKSGTE-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594212252 959299935 /nfs/dbraw/zinc/29/99/35/959299935.db2.gz JHHMHEXWTMLMPI-BFUOFWGJSA-N -1 0 317.429 3.648 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000166623132 959313685 /nfs/dbraw/zinc/31/36/85/959313685.db2.gz JKJRFEBGEZPANO-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573580564 959351344 /nfs/dbraw/zinc/35/13/44/959351344.db2.gz PBYKRGAFRVYSKJ-LBPRGKRZSA-N -1 0 315.344 3.731 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)c1ccc2c(c1)oc1ccccc12 ZINC001594222809 959393568 /nfs/dbraw/zinc/39/35/68/959393568.db2.gz QDSYISUKLAHAND-WYRIXSBYSA-N -1 0 323.348 3.660 20 0 DHADRM C[C@H](C(=O)[O-])N(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)C1CC1 ZINC001588598023 959400697 /nfs/dbraw/zinc/40/06/97/959400697.db2.gz YOYHQZWVVUKUJG-LLVKDONJSA-N -1 0 319.449 3.514 20 0 DHADRM C[C@H](CNC(=O)NC(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC001573594009 959416602 /nfs/dbraw/zinc/41/66/02/959416602.db2.gz SUAKCRDLKKMVOL-CYBMUJFWSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000180015966 959438347 /nfs/dbraw/zinc/43/83/47/959438347.db2.gz LAYIMICCZSEQJA-NEPJUHHUSA-N -1 0 323.820 3.582 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3C)coc2c1 ZINC000392231692 972430415 /nfs/dbraw/zinc/43/04/15/972430415.db2.gz XBPKNJGTLQVTHZ-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1nccc2ccccc21 ZINC001603255578 972430839 /nfs/dbraw/zinc/43/08/39/972430839.db2.gz PNTOENGPPXNZAW-UGSOOPFHSA-N -1 0 306.365 3.711 20 0 DHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)s1 ZINC001594242493 959541545 /nfs/dbraw/zinc/54/15/45/959541545.db2.gz IHITWULERUZMBE-WPPNPWJKSA-N -1 0 302.779 3.507 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594244486 959557117 /nfs/dbraw/zinc/55/71/17/959557117.db2.gz XLVSPAVTKHQRMT-PXAZEXFGSA-N -1 0 321.804 3.671 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC001588632995 959627409 /nfs/dbraw/zinc/62/74/09/959627409.db2.gz CWYRBXARUWUFLS-HNNXBMFYSA-N -1 0 301.386 3.722 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1Cc1nc(C2CCCCC2)cs1 ZINC001573646090 959641587 /nfs/dbraw/zinc/64/15/87/959641587.db2.gz OWDSPFNJZCQXLV-MRXNPFEDSA-N -1 0 308.447 3.630 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001588636003 959658521 /nfs/dbraw/zinc/65/85/21/959658521.db2.gz RSCCSNRDAFCSLD-JYJNAYRXSA-N -1 0 317.429 3.576 20 0 DHADRM CC1(C)C(C)(C)C1(C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573656257 959674150 /nfs/dbraw/zinc/67/41/50/959674150.db2.gz UCNGGOAOAJBSDS-UHFFFAOYSA-N -1 0 315.413 3.736 20 0 DHADRM CC1(C)CC(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001573665141 959687275 /nfs/dbraw/zinc/68/72/75/959687275.db2.gz QGTCQHJJSAGMDP-UHFFFAOYSA-N -1 0 315.413 3.527 20 0 DHADRM CC1(C)CCC[C@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001573667036 959697572 /nfs/dbraw/zinc/69/75/72/959697572.db2.gz CHBWGFRLJWGLCK-LBPRGKRZSA-N -1 0 304.390 3.723 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1 ZINC001588657917 960419097 /nfs/dbraw/zinc/41/90/97/960419097.db2.gz AHWADXUPIDMKGD-LBPRGKRZSA-N -1 0 324.446 3.561 20 0 DHADRM CSCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001574254284 960530026 /nfs/dbraw/zinc/53/00/26/960530026.db2.gz UCOLUFXWTOGVRW-UHFFFAOYSA-N -1 0 319.785 3.505 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(Cl)cc1 ZINC001574260139 960564570 /nfs/dbraw/zinc/56/45/70/960564570.db2.gz WYTMHZXVROVTBG-SNVBAGLBSA-N -1 0 323.820 3.654 20 0 DHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC001197069851 960573763 /nfs/dbraw/zinc/57/37/63/960573763.db2.gz QBTZPSXGUIDTRH-UHFFFAOYSA-N -1 0 312.394 3.682 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCCc1ccc(Cl)cc1 ZINC001574267158 960594587 /nfs/dbraw/zinc/59/45/87/960594587.db2.gz RFPKSVPHZGBHQX-IUODEOHRSA-N -1 0 323.820 3.517 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001573768957 960648647 /nfs/dbraw/zinc/64/86/47/960648647.db2.gz XBDBLMBLWNVIJR-AWEZNQCLSA-N -1 0 311.337 3.521 20 0 DHADRM CCC(C)(C)OCc1ccccc1NC(=O)CCCC(=O)[O-] ZINC001573770108 960658855 /nfs/dbraw/zinc/65/88/55/960658855.db2.gz LUVSMJNVOCSJKW-UHFFFAOYSA-N -1 0 307.390 3.585 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001574286635 960663301 /nfs/dbraw/zinc/66/33/01/960663301.db2.gz UXZKAYWQNZGEDI-ZBFHGGJFSA-N -1 0 324.465 3.632 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC001573777919 960707542 /nfs/dbraw/zinc/70/75/42/960707542.db2.gz JUXDNXCZBQPCOY-HZPDHXFCSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(Cl)sc1Cl ZINC000236741372 960746997 /nfs/dbraw/zinc/74/69/97/960746997.db2.gz AEAKKVFHGQFOEZ-UHFFFAOYSA-N -1 0 324.229 3.628 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)C(C)(C)C ZINC001261627198 960750780 /nfs/dbraw/zinc/75/07/80/960750780.db2.gz QNFBTDWVJFNBEI-VOMSXAGXSA-N -1 0 303.402 3.619 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001574316318 960793131 /nfs/dbraw/zinc/79/31/31/960793131.db2.gz YRKLQTFCVSIKQA-GJZGRUSLSA-N -1 0 303.402 3.638 20 0 DHADRM CC[C@@H](CC(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236929130 960802088 /nfs/dbraw/zinc/80/20/88/960802088.db2.gz IEISDQJSCIKDHL-KSSFIOAISA-N -1 0 305.418 3.638 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC001574318129 960803464 /nfs/dbraw/zinc/80/34/64/960803464.db2.gz MZJSYTLUZLZXHF-HNNXBMFYSA-N -1 0 323.392 3.543 20 0 DHADRM CC[C@H](CC(=O)N[C@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236937237 960804462 /nfs/dbraw/zinc/80/44/62/960804462.db2.gz IEISDQJSCIKDHL-RDTXWAMCSA-N -1 0 305.418 3.638 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000236994722 960828196 /nfs/dbraw/zinc/82/81/96/960828196.db2.gz GJGRJSKZBUTPGB-IBGZPJMESA-N -1 0 319.445 3.676 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1CCC(c2ccccc2)CC1 ZINC000237027283 960841983 /nfs/dbraw/zinc/84/19/83/960841983.db2.gz SZDURLFTENYALQ-ODIFPOPNSA-N -1 0 317.429 3.672 20 0 DHADRM C[C@@H]1CCc2sc(C(=O)NCCCCCCC(=O)[O-])cc2C1 ZINC000237396348 960927349 /nfs/dbraw/zinc/92/73/49/960927349.db2.gz IRPAXCNGZQNGQW-GFCCVEGCSA-N -1 0 323.458 3.638 20 0 DHADRM Cc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)ccc1Cl ZINC001574341013 960936393 /nfs/dbraw/zinc/93/63/93/960936393.db2.gz FFTXLNFHCFJAGK-HYXAFXHYSA-N -1 0 305.717 3.592 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CC(C)(C)C1(C)C)C(=O)[O-] ZINC001319309861 960937607 /nfs/dbraw/zinc/93/76/07/960937607.db2.gz MPACAMJOHSWXTQ-NSHDSACASA-N -1 0 321.442 3.512 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001319416899 960947504 /nfs/dbraw/zinc/94/75/04/960947504.db2.gz JYCIPRIXBWVAHS-LLVKDONJSA-N -1 0 315.344 3.965 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001319535891 960951559 /nfs/dbraw/zinc/95/15/59/960951559.db2.gz WGLPTDGLGXRLSW-UHFFFAOYSA-N -1 0 311.381 3.963 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237543153 960958796 /nfs/dbraw/zinc/95/87/96/960958796.db2.gz HYOCBCNZSZVVDG-GFCCVEGCSA-N -1 0 323.348 3.930 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(c2nc3cc(C)ccc3s2)C1 ZINC001573822677 960975497 /nfs/dbraw/zinc/97/54/97/960975497.db2.gz PZMLOAVLAAPYCZ-MRXNPFEDSA-N -1 0 304.415 3.686 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000237657397 960989816 /nfs/dbraw/zinc/98/98/16/960989816.db2.gz NSFIJEZTZDFOCP-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM CC[C@H]1CCCc2sc(NC(=O)C3(CC(=O)[O-])CCC3)nc21 ZINC001573829629 961002914 /nfs/dbraw/zinc/00/29/14/961002914.db2.gz CXYUYPPSHXYMGM-JTQLQIEISA-N -1 0 322.430 3.557 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001574356829 961005034 /nfs/dbraw/zinc/00/50/34/961005034.db2.gz GCDRWKHGWPZTMQ-HNNXBMFYSA-N -1 0 317.429 3.640 20 0 DHADRM Cc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237758448 961017781 /nfs/dbraw/zinc/01/77/81/961017781.db2.gz JFKFEMJGFYXEEU-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573830881 961018772 /nfs/dbraw/zinc/01/87/72/961018772.db2.gz VZPOEIRUCSPKIU-UONOGXRCSA-N -1 0 303.402 3.639 20 0 DHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237806678 961027740 /nfs/dbraw/zinc/02/77/40/961027740.db2.gz ANHRIUWBQZYNJR-UHFFFAOYSA-N -1 0 317.307 3.843 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573840785 961070896 /nfs/dbraw/zinc/07/08/96/961070896.db2.gz KPUWYCCQZKKCPS-QIAWRQBBSA-N -1 0 305.374 3.562 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573841351 961081532 /nfs/dbraw/zinc/08/15/32/961081532.db2.gz QQYHNWLBOXWHBW-CACDNMLQSA-N -1 0 319.401 3.714 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2SC(F)F)c1 ZINC000238132466 961120229 /nfs/dbraw/zinc/12/02/29/961120229.db2.gz MJHLNAKDXDUDIN-UHFFFAOYSA-N -1 0 323.320 3.952 20 0 DHADRM Cc1ccc2sc(N3C[C@H](C(=O)[O-])CC[C@@H]3C)nc2c1C ZINC001574383702 961126267 /nfs/dbraw/zinc/12/62/67/961126267.db2.gz ITADXRSNHIFRGA-CMPLNLGQSA-N -1 0 304.415 3.603 20 0 DHADRM CC(C)(C)SCCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588738703 961139672 /nfs/dbraw/zinc/13/96/72/961139672.db2.gz PUCWLQWMPVNJSV-ZDUSSCGKSA-N -1 0 315.479 3.544 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001574389584 961160719 /nfs/dbraw/zinc/16/07/19/961160719.db2.gz QTRBIVJBAGJAPL-VBNZEHGJSA-N -1 0 309.365 3.681 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001574389583 961161115 /nfs/dbraw/zinc/16/11/15/961161115.db2.gz QTRBIVJBAGJAPL-UHOFOFEASA-N -1 0 309.365 3.681 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)[O-])c1 ZINC001574390650 961174244 /nfs/dbraw/zinc/17/42/44/961174244.db2.gz AIGZLBZYCHXXSA-ZOBUZTSGSA-N -1 0 317.429 3.699 20 0 DHADRM CCN(C(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001573872698 961221988 /nfs/dbraw/zinc/22/19/88/961221988.db2.gz ZANJIYJMAFNNKD-UHFFFAOYSA-N -1 0 317.307 3.703 20 0 DHADRM Cc1ccccc1C1(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001574401664 961235851 /nfs/dbraw/zinc/23/58/51/961235851.db2.gz NOQHBWIXLQEKPK-UHFFFAOYSA-N -1 0 310.353 3.504 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001574402467 961244131 /nfs/dbraw/zinc/24/41/31/961244131.db2.gz ZEUKHNTYVVBLOF-WMLDXEAASA-N -1 0 323.392 3.704 20 0 DHADRM CC[C@@H](c1ccccc1)N(C)c1nc[n-]c2nc(=S)sc1-2 ZINC001167127618 1013244242 /nfs/dbraw/zinc/24/42/42/1013244242.db2.gz HCPCYTXAWHCZFH-NSHDSACASA-N -1 0 316.455 3.963 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2cc(F)ccc2s1 ZINC000261626917 961383576 /nfs/dbraw/zinc/38/35/76/961383576.db2.gz HFTFIRMKGKYQFT-UHFFFAOYSA-N -1 0 323.389 3.805 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262081469 961441417 /nfs/dbraw/zinc/44/14/17/961441417.db2.gz KQWBMWPFQKZIBR-UONOGXRCSA-N -1 0 321.442 3.686 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000262090009 961449776 /nfs/dbraw/zinc/44/97/76/961449776.db2.gz CLLATFAPABDZMH-IBGZPJMESA-N -1 0 323.392 3.585 20 0 DHADRM CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC001573924579 961541774 /nfs/dbraw/zinc/54/17/74/961541774.db2.gz KVZRWKRXLOPCGQ-GFCCVEGCSA-N -1 0 311.809 3.568 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@H]2c2ccccc2)n1 ZINC000262211520 961557789 /nfs/dbraw/zinc/55/77/89/961557789.db2.gz VZASCSMQORVWSE-KRWDZBQOSA-N -1 0 324.380 3.537 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262214619 961560356 /nfs/dbraw/zinc/56/03/56/961560356.db2.gz QFWDSNYEDMARHG-UHFFFAOYSA-N -1 0 311.381 3.714 20 0 DHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001573931543 961578635 /nfs/dbraw/zinc/57/86/35/961578635.db2.gz BNUVUODDXSMURD-KBPBESRZSA-N -1 0 322.430 3.571 20 0 DHADRM O=C([O-])CCc1ccc(NCc2ncccc2C(F)(F)F)cc1 ZINC001333125942 961648965 /nfs/dbraw/zinc/64/89/65/961648965.db2.gz XXAYFISTEONTEP-UHFFFAOYSA-N -1 0 324.302 3.730 20 0 DHADRM O=C([O-])[C@@H](NCc1ccccc1)c1c(Cl)cccc1Cl ZINC000037952368 1013273202 /nfs/dbraw/zinc/27/32/02/1013273202.db2.gz DYFKBWRQPXNIFJ-AWEZNQCLSA-N -1 0 310.180 3.909 20 0 DHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262343878 961657195 /nfs/dbraw/zinc/65/71/95/961657195.db2.gz GMTKNTJXMLCJSS-MNOVXSKESA-N -1 0 307.365 3.563 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)cc1 ZINC001333523714 961715948 /nfs/dbraw/zinc/71/59/48/961715948.db2.gz WPIUIXYHFWVYEC-PBHICJAKSA-N -1 0 317.429 3.843 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262529803 961761597 /nfs/dbraw/zinc/76/15/97/961761597.db2.gz SHFUSXMLGCCCIZ-WMLDXEAASA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC001588841343 961802054 /nfs/dbraw/zinc/80/20/54/961802054.db2.gz XOOSSJCZCCFAFM-HIFRSBDPSA-N -1 0 303.402 3.520 20 0 DHADRM O=C([O-])[C@@H](NC(=O)/C=C/C1CCCCCC1)c1ccc(F)cc1 ZINC001574512137 961803178 /nfs/dbraw/zinc/80/31/78/961803178.db2.gz GMIYKJDNUNICRB-CRVDFBCUSA-N -1 0 319.376 3.594 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C ZINC000262687282 961807582 /nfs/dbraw/zinc/80/75/82/961807582.db2.gz CWTJYUNXAZXFRR-ZOBUZTSGSA-N -1 0 317.429 3.699 20 0 DHADRM CC[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000262777696 961861639 /nfs/dbraw/zinc/86/16/39/961861639.db2.gz LXAICHNKEFMTNP-ALKREAHSSA-N -1 0 317.429 3.720 20 0 DHADRM CCc1oc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC000262865788 961934450 /nfs/dbraw/zinc/93/44/50/961934450.db2.gz CILKBOKOKFEZBV-NSHDSACASA-N -1 0 301.342 3.591 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1csc2ccccc21 ZINC001337926738 961987747 /nfs/dbraw/zinc/98/77/47/961987747.db2.gz RZUVSQKWRQICQP-SECBINFHSA-N -1 0 315.350 3.684 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262916922 961999562 /nfs/dbraw/zinc/99/95/62/961999562.db2.gz DYVNAPRMXUKWIU-CYBMUJFWSA-N -1 0 321.417 3.544 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001588861530 962001737 /nfs/dbraw/zinc/00/17/37/962001737.db2.gz XWABIBGLMUIHMN-PLNGDYQASA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])CC1CC(Nc2cccc(COCc3ccco3)c2)C1 ZINC001339169409 962017221 /nfs/dbraw/zinc/01/72/21/962017221.db2.gz ZHEYMROWCWMQQT-UHFFFAOYSA-N -1 0 315.369 3.662 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588867423 962024361 /nfs/dbraw/zinc/02/43/61/962024361.db2.gz IFAAVNDHMWRVCR-BBRMVZONSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)CCOc1ccccc1NC(=O)CCCCC(=O)[O-] ZINC001588867902 962035840 /nfs/dbraw/zinc/03/58/40/962035840.db2.gz NUSWZZUEAMMOKK-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262969445 962057034 /nfs/dbraw/zinc/05/70/34/962057034.db2.gz JTWJGMTWUVZWRH-UHFFFAOYSA-N -1 0 323.389 3.580 20 0 DHADRM CC(C)CCc1ccc(NC(=O)NCCCCC(=O)[O-])cc1 ZINC001588872600 962096140 /nfs/dbraw/zinc/09/61/40/962096140.db2.gz VDHLCBQRWSXOIA-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM CC(C)C[C@@H](Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC001588887347 962182593 /nfs/dbraw/zinc/18/25/93/962182593.db2.gz AJUDPFZRIVXYQW-MRVPVSSYSA-N -1 0 310.703 3.665 20 0 DHADRM CC[C@H](C)[C@H]([NH2+]Cc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000263057354 962193800 /nfs/dbraw/zinc/19/38/00/962193800.db2.gz FCWUZRZPWPCEII-FZMZJTMJSA-N -1 0 310.463 3.780 20 0 DHADRM O=C([O-])C1(C(=O)O[C@H]2CCCc3ccc(Cl)cc32)CCC1 ZINC001574638700 962326662 /nfs/dbraw/zinc/32/66/62/962326662.db2.gz PNABBHGZEHTXNU-ZDUSSCGKSA-N -1 0 308.761 3.516 20 0 DHADRM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588912436 962327786 /nfs/dbraw/zinc/32/77/86/962327786.db2.gz JTQYYQRUKSVHMY-NTMALXAHSA-N -1 0 317.316 3.572 20 0 DHADRM CC(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)C1CCCCC1 ZINC001588913052 962333182 /nfs/dbraw/zinc/33/31/82/962333182.db2.gz ZWNWMBACJGCGHY-HJWRWDBZSA-N -1 0 305.374 3.561 20 0 DHADRM CC1(C)C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263182882 962339274 /nfs/dbraw/zinc/33/92/74/962339274.db2.gz XCKIJEGDNLEBFH-JKSUJKDBSA-N -1 0 311.381 3.518 20 0 DHADRM CC(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263224749 962375062 /nfs/dbraw/zinc/37/50/62/962375062.db2.gz PTJURSFALZPQGS-HNNXBMFYSA-N -1 0 317.410 3.502 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](Nc2nc3cccc(F)c3o2)c2ccccc21 ZINC001574649161 962412101 /nfs/dbraw/zinc/41/21/01/962412101.db2.gz ISXQOFOWLUZONO-RISCZKNCSA-N -1 0 312.300 3.692 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000263291566 962429588 /nfs/dbraw/zinc/42/95/88/962429588.db2.gz LMATXBRMOSLNMD-INIZCTEOSA-N -1 0 303.402 3.679 20 0 DHADRM CC[C@@H]1CN(C(=O)CCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000263293625 962434514 /nfs/dbraw/zinc/43/45/14/962434514.db2.gz LYPKOFJKDLFVKF-WBVHZDCISA-N -1 0 317.429 3.674 20 0 DHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263310870 962451105 /nfs/dbraw/zinc/45/11/05/962451105.db2.gz PFJHFZMGLIRRRA-HNNXBMFYSA-N -1 0 321.417 3.931 20 0 DHADRM C[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccsc1 ZINC000263338464 962487951 /nfs/dbraw/zinc/48/79/51/962487951.db2.gz RJKIWCNHOYKVFS-QWRGUYRKSA-N -1 0 303.383 3.678 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(C)(C)C(F)(F)F)cc1 ZINC001349931608 962493203 /nfs/dbraw/zinc/49/32/03/962493203.db2.gz JDRZSBHJIHBEGR-UHFFFAOYSA-N -1 0 317.307 3.576 20 0 DHADRM Cc1cccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263343675 962494906 /nfs/dbraw/zinc/49/49/06/962494906.db2.gz SPJMOBDJARFURE-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)C1CC(C)(C)CC(C)(C)C1 ZINC001350324346 962538082 /nfs/dbraw/zinc/53/80/82/962538082.db2.gz YEHDCJBQMFBZFB-UHFFFAOYSA-N -1 0 307.390 3.655 20 0 DHADRM O=C([O-])CC1(C(=O)Nc2ccc(-c3ccco3)cc2F)CCC1 ZINC001574671507 962552569 /nfs/dbraw/zinc/55/25/69/962552569.db2.gz LWDXHURGDFMOLA-UHFFFAOYSA-N -1 0 317.316 3.669 20 0 DHADRM O=C([O-])CC1(C(=O)Oc2cc(Cl)cc(Cl)c2)CCC1 ZINC001574675338 962559113 /nfs/dbraw/zinc/55/91/13/962559113.db2.gz IUKDHIOWRONLQB-UHFFFAOYSA-N -1 0 303.141 3.544 20 0 DHADRM Cc1ncn(-c2ccc(NC3CCC(C(=O)[O-])CC3)cc2)c1C ZINC000263426521 962600348 /nfs/dbraw/zinc/60/03/48/962600348.db2.gz QSLXFPHBAPLEJU-UHFFFAOYSA-N -1 0 313.401 3.544 20 0 DHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])c2ccc(F)cc2n1 ZINC001351116805 962607382 /nfs/dbraw/zinc/60/73/82/962607382.db2.gz CFYQNMCJQVJXHJ-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)[C@H]1CC=CCC1 ZINC000263443269 962626465 /nfs/dbraw/zinc/62/64/65/962626465.db2.gz XSRVHWWSJNZYRZ-HOTGVXAUSA-N -1 0 307.434 3.663 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2 ZINC001588968663 962659819 /nfs/dbraw/zinc/65/98/19/962659819.db2.gz QAACZTWUNDQNIR-JKSUJKDBSA-N -1 0 317.429 3.660 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001588969397 962662834 /nfs/dbraw/zinc/66/28/34/962662834.db2.gz CNBDTPPQSFRLRS-MRXNPFEDSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1cccc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001588969873 962666300 /nfs/dbraw/zinc/66/63/00/962666300.db2.gz RQRABJNFZBHZGI-SFHVURJKSA-N -1 0 302.370 3.664 20 0 DHADRM O=C([O-])CCCC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001574697655 962670300 /nfs/dbraw/zinc/67/03/00/962670300.db2.gz XOBBLCIVXHFNCK-UKRRQHHQSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@H]2C2CCCC2)c1 ZINC001574710340 962707008 /nfs/dbraw/zinc/70/70/08/962707008.db2.gz SRDDWJSBDANDPK-INIZCTEOSA-N -1 0 316.401 3.500 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000263574330 962740299 /nfs/dbraw/zinc/74/02/99/962740299.db2.gz NMKBZMZCYVFQLE-FPCVCCKLSA-N -1 0 323.477 3.989 20 0 DHADRM O=C([O-])c1coc(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000263573897 962740345 /nfs/dbraw/zinc/74/03/45/962740345.db2.gz NAVUGLNWOJBJAW-UHFFFAOYSA-N -1 0 305.374 3.554 20 0 DHADRM COc1cc(C)cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001574181500 962811125 /nfs/dbraw/zinc/81/11/25/962811125.db2.gz ANIFZLGBYZXHRR-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM COc1cc(C)cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1C ZINC001574182293 962819259 /nfs/dbraw/zinc/81/92/59/962819259.db2.gz XURKRVSMNSZKQB-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM C[C@H](CC(=O)Nc1sccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588994348 962828886 /nfs/dbraw/zinc/82/88/86/962828886.db2.gz PSFMAXIWNKFMTC-SECBINFHSA-N -1 0 307.346 3.718 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCc2ccccc2Cl)ccc1F ZINC000314614754 963778413 /nfs/dbraw/zinc/77/84/13/963778413.db2.gz VQGLFZAEPXMUKE-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM Cc1ccccc1SCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000314947183 963833282 /nfs/dbraw/zinc/83/32/82/963833282.db2.gz BVXFADTTYZNEMQ-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1nc(-c2cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c2)cs1 ZINC000315274050 963872766 /nfs/dbraw/zinc/87/27/66/963872766.db2.gz AUQZVTAZSZNLKC-SNVBAGLBSA-N -1 0 318.398 3.558 20 0 DHADRM CCC[C@@H](CC)S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000578838060 1013491978 /nfs/dbraw/zinc/49/19/78/1013491978.db2.gz MKEUFLDYROXZCK-CQSZACIVSA-N -1 0 306.431 3.864 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000319963208 1013501514 /nfs/dbraw/zinc/50/15/14/1013501514.db2.gz VNQHCOHRMYJTGJ-UHFFFAOYSA-N -1 0 313.328 3.655 20 0 DHADRM Cc1ccccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000533623544 1013509061 /nfs/dbraw/zinc/50/90/61/1013509061.db2.gz AMMLELXLSVGXHI-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)nc1 ZINC000302952904 1013564929 /nfs/dbraw/zinc/56/49/29/1013564929.db2.gz NAUSXOTZDDECGU-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1cc(OC)ccc1OC ZINC000519654326 1013587131 /nfs/dbraw/zinc/58/71/31/1013587131.db2.gz INHKMBKDULRHRU-UHFFFAOYSA-N -1 0 315.369 3.577 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000036137779 967506007 /nfs/dbraw/zinc/50/60/07/967506007.db2.gz LOQJILJTAJPGHM-UHFFFAOYSA-N -1 0 321.320 3.534 20 0 DHADRM CC(C)CC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCC1 ZINC000261825503 967806575 /nfs/dbraw/zinc/80/65/75/967806575.db2.gz AZRLLKGJFXAPJS-HNNXBMFYSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1C(C)(F)F ZINC000263147546 967853271 /nfs/dbraw/zinc/85/32/71/967853271.db2.gz PARJJTNXLIETSB-UHFFFAOYSA-N -1 0 314.332 3.563 20 0 DHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683622518 1013766464 /nfs/dbraw/zinc/76/64/64/1013766464.db2.gz GBOZWDHVNHSZMV-RHSMWYFYSA-N -1 0 319.763 3.645 20 0 DHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1)CC(=O)[O-] ZINC000383842705 968118734 /nfs/dbraw/zinc/11/87/34/968118734.db2.gz OSLOCFNRWOIFGO-GJZGRUSLSA-N -1 0 320.433 3.526 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1Cc1ncc(Cl)cc1Cl ZINC000424267324 968353731 /nfs/dbraw/zinc/35/37/31/968353731.db2.gz XXUPCMQCYBSALQ-NSHDSACASA-N -1 0 317.216 3.608 20 0 DHADRM CCCC[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C ZINC000621707863 968512226 /nfs/dbraw/zinc/51/22/26/968512226.db2.gz BFUWSSXKVYZYLJ-LJISPDSOSA-N -1 0 311.466 3.700 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000647690325 968575640 /nfs/dbraw/zinc/57/56/40/968575640.db2.gz DCKQQESFXNODPQ-ZYHUDNBSSA-N -1 0 324.808 3.531 20 0 DHADRM CC1(C)CCC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC000653326449 968660790 /nfs/dbraw/zinc/66/07/90/968660790.db2.gz BOCSLSCHQZXLGG-CVEARBPZSA-N -1 0 315.413 3.632 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000655556804 968679784 /nfs/dbraw/zinc/67/97/84/968679784.db2.gz NTXNKTBTVYBBDB-MSOLQXFVSA-N -1 0 321.376 3.607 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659153911 968725921 /nfs/dbraw/zinc/72/59/21/968725921.db2.gz NIXCTRIVMHBKBV-OAHLLOKOSA-N -1 0 323.801 3.634 20 0 DHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000331111532 1013858076 /nfs/dbraw/zinc/85/80/76/1013858076.db2.gz SXYGKZSQHFJXLK-ZDUSSCGKSA-N -1 0 321.446 3.580 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000389110564 1013883378 /nfs/dbraw/zinc/88/33/78/1013883378.db2.gz SXCIRNCLPDRPRT-LALPHHSUSA-N -1 0 321.804 3.504 20 0 DHADRM Cc1ccc(-c2c[nH]cc2C(=O)Nc2nc(C)ccc2O)s1 ZINC000188625497 1013890466 /nfs/dbraw/zinc/89/04/66/1013890466.db2.gz NUVDDUVVOIXBNX-UHFFFAOYSA-N -1 0 313.382 3.713 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(F)c2occc21)C(=O)[O-] ZINC001573424886 969811431 /nfs/dbraw/zinc/81/14/31/969811431.db2.gz PXNAFWJXGCXNOE-ZDUSSCGKSA-N -1 0 321.348 3.581 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000080990570 1013919493 /nfs/dbraw/zinc/91/94/93/1013919493.db2.gz PHOSHFCOXKQDFF-ZDUSSCGKSA-N -1 0 310.781 3.510 20 0 DHADRM CCSCc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000610335196 1013939015 /nfs/dbraw/zinc/93/90/15/1013939015.db2.gz WJOMKNOHUWKAIN-GJZGRUSLSA-N -1 0 319.426 3.545 20 0 DHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091014543 1013954100 /nfs/dbraw/zinc/95/41/00/1013954100.db2.gz RZSRIIZNVLBLKW-UHFFFAOYSA-N -1 0 311.428 3.564 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)c1ccc(Br)c(O)c1 ZINC000617570369 1022995813 /nfs/dbraw/zinc/99/58/13/1022995813.db2.gz PHRNQWAYNODYBP-VIFPVBQESA-N -1 0 314.223 3.709 20 0 DHADRM O=C([O-])[C@H](Sc1nc2cc(F)cc(Cl)c2o1)C1CC1 ZINC001605909484 972762681 /nfs/dbraw/zinc/76/26/81/972762681.db2.gz DEYRNDKIIUFFOD-SNVBAGLBSA-N -1 0 301.726 3.576 20 0 DHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)n1C(C)C ZINC001605122691 972785303 /nfs/dbraw/zinc/78/53/03/972785303.db2.gz SXGXQJZDACDJEK-HNNXBMFYSA-N -1 0 322.449 3.695 20 0 DHADRM CNc1ccc(C)cc1CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001604253945 972792616 /nfs/dbraw/zinc/79/26/16/972792616.db2.gz AZHFUHXKMVNIED-INIZCTEOSA-N -1 0 310.397 3.615 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603371973 972900716 /nfs/dbraw/zinc/90/07/16/972900716.db2.gz JWKCKDMXXLCEFG-ZYARKTQMSA-N -1 0 319.401 3.664 20 0 DHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001603382861 972974336 /nfs/dbraw/zinc/97/43/36/972974336.db2.gz MAZDEBSFBJVNEP-SASUGWTJSA-N -1 0 319.426 3.556 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C/C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])C1(C)C ZINC001603408017 973075839 /nfs/dbraw/zinc/07/58/39/973075839.db2.gz XQXADHCIQQBGIR-IFIKKEQISA-N -1 0 321.461 3.717 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)[C@H]1C(=O)[O-] ZINC001603410004 973084852 /nfs/dbraw/zinc/08/48/52/973084852.db2.gz NIBSDVDZZGRCLD-CXAGYDPISA-N -1 0 313.397 3.579 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2c1 ZINC001605315111 973144856 /nfs/dbraw/zinc/14/48/56/973144856.db2.gz SSLWWFRMUXIUQG-LBPRGKRZSA-N -1 0 317.410 3.537 20 0 DHADRM COc1cnc(Cl)c(Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001210928046 1014090114 /nfs/dbraw/zinc/09/01/14/1014090114.db2.gz YKASKPXHTKNBHH-UHFFFAOYSA-N -1 0 320.563 3.895 20 0 DHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001606086244 973247617 /nfs/dbraw/zinc/24/76/17/973247617.db2.gz BVBLBCGQPHIRNW-KRWDZBQOSA-N -1 0 313.397 3.723 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001606089559 973253135 /nfs/dbraw/zinc/25/31/35/973253135.db2.gz RHPDNUMSEUKRNM-AWEZNQCLSA-N -1 0 313.397 3.581 20 0 DHADRM [S-]c1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001210949196 1014094796 /nfs/dbraw/zinc/09/47/96/1014094796.db2.gz AFHZNGMVUOLMAR-UHFFFAOYSA-N -1 0 314.454 3.594 20 0 DHADRM Oc1c(Br)c(F)ccc1Nc1c[nH]c2ncccc12 ZINC001210947685 1014094821 /nfs/dbraw/zinc/09/48/21/1014094821.db2.gz SDZOOTOVQCHUQR-UHFFFAOYSA-N -1 0 322.137 3.914 20 0 DHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(O)c(F)c3)C2)cc1 ZINC000683891145 1014095331 /nfs/dbraw/zinc/09/53/31/1014095331.db2.gz YVXLVZIWOXCUPU-CZUORRHYSA-N -1 0 313.372 3.858 20 0 DHADRM NC(=O)c1cccc(Br)c1Nc1cccc([S-])c1 ZINC001210949762 1014095340 /nfs/dbraw/zinc/09/53/40/1014095340.db2.gz HIJXJKKVALABST-UHFFFAOYSA-N -1 0 323.215 3.580 20 0 DHADRM CC(=O)Nc1cc(Nc2ccccc2C(=O)[O-])ccc1Cl ZINC001210967593 1014098045 /nfs/dbraw/zinc/09/80/45/1014098045.db2.gz LPBPYRSUEHYXAL-UHFFFAOYSA-N -1 0 304.733 3.740 20 0 DHADRM COc1ccc(-c2ccccn2)nc1Nc1ccccc1C(=O)[O-] ZINC001210969221 1014099089 /nfs/dbraw/zinc/09/90/89/1014099089.db2.gz IJELLZAROSYNMU-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM COc1cccc(-c2cc(Nc3ccccc3C(=O)[O-])on2)c1 ZINC001210969705 1014099125 /nfs/dbraw/zinc/09/91/25/1014099125.db2.gz PCMCYEHRQRKVTC-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM C[C@@H]1Cc2c(sc(NC(=O)C=C3CCC3)c2C(=O)[O-])[C@@H](C)O1 ZINC001603475777 973366199 /nfs/dbraw/zinc/36/61/99/973366199.db2.gz QDLQQWVAYXJASY-RKDXNWHRSA-N -1 0 321.398 3.517 20 0 DHADRM CCc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000683922103 1014110180 /nfs/dbraw/zinc/11/01/80/1014110180.db2.gz LRTYIVYWLRZJOO-UHFFFAOYSA-N -1 0 304.390 3.500 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC001603525950 973565216 /nfs/dbraw/zinc/56/52/16/973565216.db2.gz MFEMXIAUSYPIQC-AWEZNQCLSA-N -1 0 323.820 3.725 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cc(F)c(C)cc1Cl ZINC001603527060 973572668 /nfs/dbraw/zinc/57/26/68/973572668.db2.gz SAPWEZSNTUXFAH-UHFFFAOYSA-N -1 0 302.729 3.584 20 0 DHADRM CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001603544547 973600382 /nfs/dbraw/zinc/60/03/82/973600382.db2.gz DHLWFQWACVFCIE-NWDGAFQWSA-N -1 0 308.374 3.579 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603575437 973721080 /nfs/dbraw/zinc/72/10/80/973721080.db2.gz NDDGONIEIPFFRJ-DLBZAZTESA-N -1 0 319.445 3.509 20 0 DHADRM O=C([O-])[C@@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000417558814 973960845 /nfs/dbraw/zinc/96/08/45/973960845.db2.gz GLRBDVQAZBFXEU-INIZCTEOSA-N -1 0 301.411 3.931 20 0 DHADRM CCC[C@@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccccc1 ZINC001603633554 973961578 /nfs/dbraw/zinc/96/15/78/973961578.db2.gz GYHOSCCGLQQLSC-OAHLLOKOSA-N -1 0 320.433 3.718 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001603636324 973974954 /nfs/dbraw/zinc/97/49/54/973974954.db2.gz UJUNOAZGYDFZMK-OLZOCXBDSA-N -1 0 319.405 3.508 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603639668 973976698 /nfs/dbraw/zinc/97/66/98/973976698.db2.gz AOMSHPDZWBEQDG-MMQHEFTJSA-N -1 0 307.390 3.714 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001603641436 973990220 /nfs/dbraw/zinc/99/02/20/973990220.db2.gz PVSALYCMQSGMCM-CQSZACIVSA-N -1 0 306.406 3.543 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603641958 973996131 /nfs/dbraw/zinc/99/61/31/973996131.db2.gz UZKGRPMCZSBBHL-HOCLYGCPSA-N -1 0 318.417 3.543 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1coc2c1cccc2C ZINC000425239946 974039365 /nfs/dbraw/zinc/03/93/65/974039365.db2.gz LGJJLXWILSJANL-UHFFFAOYSA-N -1 0 303.358 3.505 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2cccc(C(F)F)c2)o1 ZINC001605668052 974068516 /nfs/dbraw/zinc/06/85/16/974068516.db2.gz MKOCMUXMCQFFEX-ALCCZGGFSA-N -1 0 307.252 3.567 20 0 DHADRM CCCc1nc(C)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC001603692571 974087242 /nfs/dbraw/zinc/08/72/42/974087242.db2.gz CNKUJOOWBAHNDH-UHFFFAOYSA-N -1 0 318.398 3.663 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000447129952 974123161 /nfs/dbraw/zinc/12/31/61/974123161.db2.gz WQGVZCQEYQVCSZ-UHFFFAOYSA-N -1 0 319.332 3.915 20 0 DHADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001603714736 974128159 /nfs/dbraw/zinc/12/81/59/974128159.db2.gz SOTUWYQXGKGXJZ-VOTSOKGWSA-N -1 0 319.744 3.698 20 0 DHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000478851756 974212408 /nfs/dbraw/zinc/21/24/08/974212408.db2.gz JADMVBNXEPCTMN-MRXNPFEDSA-N -1 0 315.344 3.651 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486392010 974247582 /nfs/dbraw/zinc/24/75/82/974247582.db2.gz ZWMABHYPCNTDPS-NVXWUHKLSA-N -1 0 319.445 3.886 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C/c1ccsc1 ZINC000492031016 974257517 /nfs/dbraw/zinc/25/75/17/974257517.db2.gz KHRCCMXZUTXMGI-ONEGZZNKSA-N -1 0 301.367 3.715 20 0 DHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000519773391 974335201 /nfs/dbraw/zinc/33/52/01/974335201.db2.gz LBGFLBYYXOADRI-XJKSGUPXSA-N -1 0 319.401 3.617 20 0 DHADRM Cc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000531746339 974368228 /nfs/dbraw/zinc/36/82/28/974368228.db2.gz IEHLJSLWOSFWQQ-CQSZACIVSA-N -1 0 323.392 3.827 20 0 DHADRM C[C@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000539677393 974398969 /nfs/dbraw/zinc/39/89/69/974398969.db2.gz BGIPVSPYGZGSJD-OAHLLOKOSA-N -1 0 317.429 3.722 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000540777470 974409543 /nfs/dbraw/zinc/40/95/43/974409543.db2.gz SLSNUQDZAFGZNY-OAHLLOKOSA-N -1 0 317.429 3.640 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C)C(=O)[O-] ZINC001603926247 974418452 /nfs/dbraw/zinc/41/84/52/974418452.db2.gz SCMJZJSHJCLSGT-KTMFAHBVSA-N -1 0 317.429 3.591 20 0 DHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCC1CCCC1)CC2 ZINC000262099018 1014192573 /nfs/dbraw/zinc/19/25/73/1014192573.db2.gz DFXDFHVZYAHTAN-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001603968604 974452606 /nfs/dbraw/zinc/45/26/06/974452606.db2.gz LWCBDBHVSWUTPQ-JJRVBVJISA-N -1 0 317.429 3.597 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000558138331 974493358 /nfs/dbraw/zinc/49/33/58/974493358.db2.gz INDGQBDLGUGSGA-AWEZNQCLSA-N -1 0 321.417 3.981 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2ccccc2)C1 ZINC000564955153 974559983 /nfs/dbraw/zinc/55/99/83/974559983.db2.gz VESMADNQWOSUEF-ZACQAIPSSA-N -1 0 315.413 3.631 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000568650992 974676856 /nfs/dbraw/zinc/67/68/56/974676856.db2.gz FKWSOYNVCGOQLD-UQPPLGOBSA-N -1 0 317.429 3.578 20 0 DHADRM CCc1ccc(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)nc1 ZINC000571820084 974737098 /nfs/dbraw/zinc/73/70/98/974737098.db2.gz BAQMCUWACUPBRM-GOSISDBHSA-N -1 0 312.413 3.682 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000574413426 974782497 /nfs/dbraw/zinc/78/24/97/974782497.db2.gz GPMUBJHUXVTPQB-GFCCVEGCSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000575049079 974793961 /nfs/dbraw/zinc/79/39/61/974793961.db2.gz PERCQAZYKBCVNK-QWHCGFSZSA-N -1 0 305.349 3.679 20 0 DHADRM CCCC[C@H](Sc1cc(C)nc(-c2cccnc2)n1)C(=O)[O-] ZINC000575196238 974797485 /nfs/dbraw/zinc/79/74/85/974797485.db2.gz GMXXNCNVFLHZBY-ZDUSSCGKSA-N -1 0 317.414 3.583 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN([C@H](C)C(=O)[O-])C1CCC1 ZINC000577005542 974827266 /nfs/dbraw/zinc/82/72/66/974827266.db2.gz AENAYRNLBREFKS-SNVBAGLBSA-N -1 0 320.414 3.539 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000578206078 974850853 /nfs/dbraw/zinc/85/08/53/974850853.db2.gz GHPVLTOOLDKXAX-GFCCVEGCSA-N -1 0 323.820 3.726 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000578849844 974863338 /nfs/dbraw/zinc/86/33/38/974863338.db2.gz ULVADCZKRXROEF-NEPJUHHUSA-N -1 0 305.374 3.548 20 0 DHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000579478371 974876109 /nfs/dbraw/zinc/87/61/09/974876109.db2.gz YSAICEFKZLWICF-ZDUSSCGKSA-N -1 0 313.353 3.591 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000581202134 974907346 /nfs/dbraw/zinc/90/73/46/974907346.db2.gz JUFIEDMVLKCGFD-WQVCFCJDSA-N -1 0 321.392 3.674 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)C2CC3(CCC3)C2)c1 ZINC000582005806 974919176 /nfs/dbraw/zinc/91/91/76/974919176.db2.gz LQAHWWUMOUGARE-UHFFFAOYSA-N -1 0 319.426 3.523 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000590432720 974969086 /nfs/dbraw/zinc/96/90/86/974969086.db2.gz XCRDTVGEKQQIAC-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000600876215 975011196 /nfs/dbraw/zinc/01/11/96/975011196.db2.gz UVMQQSAXDULVDY-JTQLQIEISA-N -1 0 320.414 3.726 20 0 DHADRM CCCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C(C)C ZINC000621539516 975028522 /nfs/dbraw/zinc/02/85/22/975028522.db2.gz QAVORTWEZWHQCT-QAETUUGQSA-N -1 0 323.477 3.941 20 0 DHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(C3CCC3)cc1)C2 ZINC000621558524 975031415 /nfs/dbraw/zinc/03/14/15/975031415.db2.gz IMWXYBMPBLOLBR-UHFFFAOYSA-N -1 0 321.376 3.808 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCCCCc1cccs1 ZINC000621568455 975035147 /nfs/dbraw/zinc/03/51/47/975035147.db2.gz WNUOJNMZGIIVEU-HNNXBMFYSA-N -1 0 323.458 3.707 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588799 975046769 /nfs/dbraw/zinc/04/67/69/975046769.db2.gz GTKMYKZKFRTGKG-IWCQGFGOSA-N -1 0 315.413 3.630 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000630118464 975109136 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CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000630183918 975146222 /nfs/dbraw/zinc/14/62/22/975146222.db2.gz DWFOYJHJYGMBIX-WCQYABFASA-N -1 0 305.374 3.548 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000630193481 975152016 /nfs/dbraw/zinc/15/20/16/975152016.db2.gz FGMGJCYLUZHZPT-NZVBXONLSA-N -1 0 315.394 3.678 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000630197476 975155465 /nfs/dbraw/zinc/15/54/65/975155465.db2.gz SCACDMBQUNKVNR-SMDDNHRTSA-N -1 0 307.365 3.608 20 0 DHADRM C[C@@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)C1CCCCC1 ZINC000630233436 975180769 /nfs/dbraw/zinc/18/07/69/975180769.db2.gz UJNJBDXREYNHAV-AWEZNQCLSA-N -1 0 317.429 3.536 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000630271517 975215849 /nfs/dbraw/zinc/21/58/49/975215849.db2.gz HERZPBSNDWYEAV-UXLLHSPISA-N -1 0 317.429 3.762 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)C)c1 ZINC000630273227 975217768 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3.896 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000642054567 975288062 /nfs/dbraw/zinc/28/80/62/975288062.db2.gz YXYUQRMRYYZMNA-LBPRGKRZSA-N -1 0 317.410 3.896 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)C1(C)C ZINC000642146422 975289066 /nfs/dbraw/zinc/28/90/66/975289066.db2.gz FXRZWTJVJYAUDM-JMSVASOKSA-N -1 0 321.442 3.619 20 0 DHADRM Cc1ccc(C2CC2)c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000644874948 975327890 /nfs/dbraw/zinc/32/78/90/975327890.db2.gz KOMQVRCXRBMZPP-UHFFFAOYSA-N -1 0 301.367 3.884 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000649357653 975407475 /nfs/dbraw/zinc/40/74/75/975407475.db2.gz SUQKUVNQEBPNIB-UHFFFAOYSA-N -1 0 323.698 3.955 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC2(CCCCC2)CC1 ZINC000649369970 975408525 /nfs/dbraw/zinc/40/85/25/975408525.db2.gz ZMXHMKJQIUJCDW-UHFFFAOYSA-N -1 0 309.450 3.840 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000652073069 975469430 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O=C([O-])C[C@H](NC(=O)C1CC2(C1)CCCCC2)c1cccs1 ZINC000659120361 975717192 /nfs/dbraw/zinc/71/71/92/975717192.db2.gz KZJDVHCAHKSHBJ-ZDUSSCGKSA-N -1 0 321.442 3.741 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659120497 975717229 /nfs/dbraw/zinc/71/72/29/975717229.db2.gz WMKMYCXJUWQJHA-UHFFFAOYSA-N -1 0 321.760 3.602 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)c1cccs1 ZINC000659121167 975720258 /nfs/dbraw/zinc/72/02/58/975720258.db2.gz QZPSDVKLPAEEGA-AVGNSLFASA-N -1 0 321.442 3.597 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC000659129440 975728002 /nfs/dbraw/zinc/72/80/02/975728002.db2.gz QBCHPCKNEGKNCG-CJNGLKHVSA-N -1 0 315.413 3.535 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC000659146866 975746774 /nfs/dbraw/zinc/74/67/74/975746774.db2.gz KUHKIOXLHYMHHX-DZGCQCFKSA-N -1 0 315.413 3.859 20 0 DHADRM COc1cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)ccc1C(=O)[O-] ZINC000659154656 975754443 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319.401 3.937 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)C1CCC1 ZINC001591762439 975859803 /nfs/dbraw/zinc/85/98/03/975859803.db2.gz WZIAPIOYVJLFKG-NSHDSACASA-N -1 0 305.374 3.547 20 0 DHADRM C[C@@H]1CN(C(=O)c2cccc(F)c2[O-])c2cc(Cl)ccc2O1 ZINC001126509867 1014291661 /nfs/dbraw/zinc/29/16/61/1014291661.db2.gz NRNBGLMLZZVJPV-SECBINFHSA-N -1 0 321.735 3.612 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H](C)[C@H]1CCCCO1 ZINC001591772056 975903613 /nfs/dbraw/zinc/90/36/13/975903613.db2.gz YATUYHQGTWITAX-IUODEOHRSA-N -1 0 307.390 3.542 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000663054501 975921967 /nfs/dbraw/zinc/92/19/67/975921967.db2.gz NWIYQCGIHZBCPT-IIAWOOMASA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)Oc1ccc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)cc1 ZINC001591776737 975924709 /nfs/dbraw/zinc/92/47/09/975924709.db2.gz JFBSJMZDPGHISN-WJDWOHSUSA-N -1 0 322.364 3.975 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000666367453 975962017 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CC(C)c1[nH]c(CNc2ccnn2[C@H](C)C2CC2)cc1C(=O)[O-] ZINC001591918265 976382393 /nfs/dbraw/zinc/38/23/93/976382393.db2.gz PJHOOPHVRYQPHK-LLVKDONJSA-N -1 0 316.405 3.616 20 0 DHADRM CC(C)c1[nH]ccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591920819 976389225 /nfs/dbraw/zinc/38/92/25/976389225.db2.gz HBGCBEJTOMNJDO-UHFFFAOYSA-N -1 0 324.739 3.881 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591935107 976449394 /nfs/dbraw/zinc/44/93/94/976449394.db2.gz SBHMGUZFHAZKMX-CMPLNLGQSA-N -1 0 303.736 3.841 20 0 DHADRM CC(C)c1ccc(CN(C)Cc2ncc(C(=O)[O-])s2)cc1 ZINC001591953858 976520007 /nfs/dbraw/zinc/52/00/07/976520007.db2.gz FEKCWVVLYCUQFM-UHFFFAOYSA-N -1 0 304.415 3.597 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001591984114 976606588 /nfs/dbraw/zinc/60/65/88/976606588.db2.gz YWGZNPILZCKPEM-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1cccc(N(CCO)Cc2csc(C(=O)[O-])c2)c1 ZINC001591992223 976622639 /nfs/dbraw/zinc/62/26/39/976622639.db2.gz RXFQQVDZPZPKBA-UHFFFAOYSA-N -1 0 319.426 3.569 20 0 DHADRM CC(C)c1nocc1C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001592105315 976875848 /nfs/dbraw/zinc/87/58/48/976875848.db2.gz AIOYZRFJHAIMLF-UHFFFAOYSA-N -1 0 323.732 3.507 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)nc1C(=O)[O-] ZINC001592112222 976905938 /nfs/dbraw/zinc/90/59/38/976905938.db2.gz YPNZLBUDEDZASI-GARJFASQSA-N -1 0 324.446 3.976 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592181616 977108533 /nfs/dbraw/zinc/10/85/33/977108533.db2.gz PFOQJLHXSARKAJ-NSHDSACASA-N -1 0 322.380 3.956 20 0 DHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)C1(C2CCCCC2)CCCCC1 ZINC001592195597 977181827 /nfs/dbraw/zinc/18/18/27/977181827.db2.gz WXBGCCJSHWSZJZ-VNDWYCCKSA-N -1 0 307.434 3.663 20 0 DHADRM CC(C)(C)SCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160658051 1014393910 /nfs/dbraw/zinc/39/39/10/1014393910.db2.gz SFDNWBDYJXDMLJ-UHFFFAOYSA-N -1 0 321.364 3.785 20 0 DHADRM C[C@@H](CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)n1cccc1 ZINC001592261424 977502016 /nfs/dbraw/zinc/50/20/16/977502016.db2.gz BUTSDVFWLGVEJG-ZDUSSCGKSA-N -1 0 322.364 3.929 20 0 DHADRM C[C@@H](CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)C1CC1 ZINC001592278383 977563406 /nfs/dbraw/zinc/56/34/06/977563406.db2.gz USQCCUUZRHGFBY-VIFPVBQESA-N -1 0 322.430 3.874 20 0 DHADRM C[C@H](CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)C1CC1 ZINC001592278382 977563956 /nfs/dbraw/zinc/56/39/56/977563956.db2.gz USQCCUUZRHGFBY-SECBINFHSA-N -1 0 322.430 3.874 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC(C)(C)c2ccccc21 ZINC001592375805 977913825 /nfs/dbraw/zinc/91/38/25/977913825.db2.gz RDYNIRLKLIESNN-ZDUSSCGKSA-N -1 0 303.402 3.592 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)CCCc1ccccc1 ZINC001592385441 977929332 /nfs/dbraw/zinc/92/93/32/977929332.db2.gz VIQYVFPCLZASNS-HNNXBMFYSA-N -1 0 319.445 3.653 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@H](C)c1cccc(Cl)c1F ZINC001592396570 977959542 /nfs/dbraw/zinc/95/95/42/977959542.db2.gz WTVBGTJIQGEYIC-RKDXNWHRSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001592423895 978043055 /nfs/dbraw/zinc/04/30/55/978043055.db2.gz JHQUABMVQVKIJS-LURJTMIESA-N -1 0 301.129 3.622 20 0 DHADRM C[C@@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC001592430343 978063669 /nfs/dbraw/zinc/06/36/69/978063669.db2.gz YVEXBXXXOYTFAK-BZUNDVKYSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H](C)CC(C)(C)C)cc1)C(=O)[O-] ZINC001592445301 978111922 /nfs/dbraw/zinc/11/19/22/978111922.db2.gz ZTEAZXTYSOZMDK-OLZOCXBDSA-N -1 0 320.433 3.896 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1c[nH]nc1-c1ccccc1 ZINC001592445431 978112643 /nfs/dbraw/zinc/11/26/43/978112643.db2.gz MQZXZYSCXZRLHZ-LBPRGKRZSA-N -1 0 301.390 3.768 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(-n2cccn2)cc1 ZINC001592446394 978125374 /nfs/dbraw/zinc/12/53/74/978125374.db2.gz XFMDRKHQCOQUHR-CYBMUJFWSA-N -1 0 301.390 3.564 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N[C@H](C)CCC(=O)[O-])c2c1 ZINC000909448625 1014461064 /nfs/dbraw/zinc/46/10/64/1014461064.db2.gz PPFKELLRAXHSPV-LLVKDONJSA-N -1 0 303.358 3.539 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001592465747 978208685 /nfs/dbraw/zinc/20/86/85/978208685.db2.gz LMBUXVJRNSWSSW-YOEHRIQHSA-N -1 0 317.429 3.877 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@H](C)C1 ZINC000736767793 978354662 /nfs/dbraw/zinc/35/46/62/978354662.db2.gz DXUQJTLEDRBYIQ-JTNHKYCSSA-N -1 0 305.378 3.723 20 0 DHADRM C[C@H](CN(C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)C1CC1)C(=O)[O-] ZINC001592557824 978448582 /nfs/dbraw/zinc/44/85/82/978448582.db2.gz SGZMRDQNZCHVJZ-WOQKPPSBSA-N -1 0 321.461 3.717 20 0 DHADRM C[C@H](CN(C)C(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001592579467 978488899 /nfs/dbraw/zinc/48/88/99/978488899.db2.gz JHDBBZXNWFGEAZ-CYBMUJFWSA-N -1 0 303.402 3.673 20 0 DHADRM CSc1ccc(COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738213599 978500675 /nfs/dbraw/zinc/50/06/75/978500675.db2.gz MWYJHFIHRPKPKX-UHFFFAOYSA-N -1 0 317.366 3.855 20 0 DHADRM C[C@H](CN(Cc1ccccc1)c1ncc(Cl)s1)C(=O)[O-] ZINC001592609802 978558148 /nfs/dbraw/zinc/55/81/48/978558148.db2.gz OKSKOIOZTVYEPZ-SNVBAGLBSA-N -1 0 310.806 3.524 20 0 DHADRM Cc1ccc(OC(=O)CCc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000738638341 978578950 /nfs/dbraw/zinc/57/89/50/978578950.db2.gz GEDDOPVVWYWDJQ-UHFFFAOYSA-N -1 0 318.756 3.885 20 0 DHADRM CCC[C@@](C)(NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000746386477 978685266 /nfs/dbraw/zinc/68/52/66/978685266.db2.gz IKXCBEDEQOYOOO-GOSISDBHSA-N -1 0 316.401 3.665 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2c(cccc2F)s1 ZINC000746388021 978685583 /nfs/dbraw/zinc/68/55/83/978685583.db2.gz FVRKULXDRYCEGB-UHFFFAOYSA-N -1 0 323.389 3.613 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000767039417 978732128 /nfs/dbraw/zinc/73/21/28/978732128.db2.gz RNDPNBVJVPSFKC-KSSFIOAISA-N -1 0 317.429 3.804 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000776647778 978766444 /nfs/dbraw/zinc/76/64/44/978766444.db2.gz SFHWIYRYRSCWEP-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000799251550 978840869 /nfs/dbraw/zinc/84/08/69/978840869.db2.gz GFXCQABWFDYFOU-KXBFYZLASA-N -1 0 319.445 3.752 20 0 DHADRM Cc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000811812152 978855999 /nfs/dbraw/zinc/85/59/99/978855999.db2.gz NWBRREYZVASITM-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000811812699 978856901 /nfs/dbraw/zinc/85/69/01/978856901.db2.gz XDBOYOVDUWNZIM-UHFFFAOYSA-N -1 0 315.756 3.779 20 0 DHADRM CC1CCC(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000811819479 978864095 /nfs/dbraw/zinc/86/40/95/978864095.db2.gz BFXYDTDFIIEKTA-UHFFFAOYSA-N -1 0 309.793 3.594 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)c(F)c(F)c1 ZINC000160750783 1014535830 /nfs/dbraw/zinc/53/58/30/1014535830.db2.gz COIHJRIOPDQOQX-UHFFFAOYSA-N -1 0 324.283 3.786 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000828200400 978975658 /nfs/dbraw/zinc/97/56/58/978975658.db2.gz FZUYGMWKUQOUKZ-FNWMBBJUSA-N -1 0 317.385 3.857 20 0 DHADRM COc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)c1 ZINC000160758389 1014546223 /nfs/dbraw/zinc/54/62/23/1014546223.db2.gz KPQMDKYGGDUQHJ-UHFFFAOYSA-N -1 0 314.366 3.686 20 0 DHADRM CC[C@@H](C)n1c(SCCCC(=O)[O-])nnc1-c1ccccc1 ZINC001595023757 979118488 /nfs/dbraw/zinc/11/84/88/979118488.db2.gz UYGXMJYXBNTOBX-GFCCVEGCSA-N -1 0 319.430 3.873 20 0 DHADRM CC[C@H](C)n1nc(Nc2ncc(C(=O)[O-])cc2Cl)cc1C ZINC001595023911 979120553 /nfs/dbraw/zinc/12/05/53/979120553.db2.gz NCELBAOVHLUQNE-QMMMGPOBSA-N -1 0 308.769 3.653 20 0 DHADRM CC[C@H](C)n1ncc(NCc2ccc(C(=O)[O-])cc2F)c1C ZINC001595027333 979142709 /nfs/dbraw/zinc/14/27/09/979142709.db2.gz SMJOEBPZCGIODI-JTQLQIEISA-N -1 0 305.353 3.612 20 0 DHADRM CC[C@@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595033055 979172199 /nfs/dbraw/zinc/17/21/99/979172199.db2.gz BLVKLJKBHMPMNM-HNAYVOBHSA-N -1 0 319.445 3.608 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccc(C)cc1 ZINC001595033120 979172953 /nfs/dbraw/zinc/17/29/53/979172953.db2.gz DWQXOZGSJSLDSZ-BFYDXBDKSA-N -1 0 317.429 3.590 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000833386370 979176231 /nfs/dbraw/zinc/17/62/31/979176231.db2.gz OVQFYJMLMYPYJV-YVMONPNESA-N -1 0 322.773 3.537 20 0 DHADRM CC[C@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001595033619 979176614 /nfs/dbraw/zinc/17/66/14/979176614.db2.gz OCJJPDFCZNBTQV-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595033978 979180384 /nfs/dbraw/zinc/18/03/84/979180384.db2.gz WQUBHAGZRMPMRK-USXIJHARSA-N -1 0 319.445 3.507 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595035283 979183257 /nfs/dbraw/zinc/18/32/57/979183257.db2.gz BVOZRFDTJDXSJI-GDBMZVCRSA-N -1 0 305.418 3.561 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595035311 979183260 /nfs/dbraw/zinc/18/32/60/979183260.db2.gz CGENMMOPQSNIHU-GOEBONIOSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595036264 979192697 /nfs/dbraw/zinc/19/26/97/979192697.db2.gz QLAHSFBGZNQOGQ-GFCCVEGCSA-N -1 0 314.385 3.944 20 0 DHADRM CC[C@H](CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)C(C)C ZINC001595036405 979195279 /nfs/dbraw/zinc/19/52/79/979195279.db2.gz DLHDLXFSFCPHNC-SECBINFHSA-N -1 0 310.419 3.730 20 0 DHADRM CC[C@H](CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)C ZINC001595036613 979198122 /nfs/dbraw/zinc/19/81/22/979198122.db2.gz HNFBLQLNYMTJOH-LLVKDONJSA-N -1 0 302.374 3.877 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCCc1ccsc1 ZINC000833680841 979221987 /nfs/dbraw/zinc/22/19/87/979221987.db2.gz PCZBNBRSQOEQTP-UHFFFAOYSA-N -1 0 322.382 3.668 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001595042628 979236875 /nfs/dbraw/zinc/23/68/75/979236875.db2.gz QAFMRYMDQKRZCS-ZETCQYMHSA-N -1 0 305.708 3.658 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)cc2ccccc21 ZINC000840703022 979273460 /nfs/dbraw/zinc/27/34/60/979273460.db2.gz SLLVJQLVAHHJEG-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C)c(Cl)c1F ZINC001595053577 979288141 /nfs/dbraw/zinc/28/81/41/979288141.db2.gz ZFUIRAYMHOFBIJ-UHFFFAOYSA-N -1 0 315.772 3.551 20 0 DHADRM CCC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC000841501497 979302072 /nfs/dbraw/zinc/30/20/72/979302072.db2.gz FMJGOGKLYOZJCT-UHFFFAOYSA-N -1 0 316.401 3.504 20 0 DHADRM CC(C)(C)CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501574 979303120 /nfs/dbraw/zinc/30/31/20/979303120.db2.gz MHXQCTZXMYAEOX-UHFFFAOYSA-N -1 0 318.417 3.750 20 0 DHADRM CCC(CC)(CNC(=O)/C=C(/C)c1cccc(Cl)c1)C(=O)[O-] ZINC001595064609 979326454 /nfs/dbraw/zinc/32/64/54/979326454.db2.gz XDAFALHNDNNRFX-XFXZXTDPSA-N -1 0 323.820 3.751 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000844251070 979394000 /nfs/dbraw/zinc/39/40/00/979394000.db2.gz BDJCHADDBCBFGI-UHFFFAOYSA-N -1 0 324.808 3.524 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\C1CCCCCC1 ZINC000846114906 979404782 /nfs/dbraw/zinc/40/47/82/979404782.db2.gz QLXHFNHPQYSAGQ-QXMHVHEDSA-N -1 0 301.386 3.779 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)cc1Cl ZINC000851593179 979502697 /nfs/dbraw/zinc/50/26/97/979502697.db2.gz OKTLZKKSLILFAN-JTQLQIEISA-N -1 0 307.777 3.947 20 0 DHADRM CCC(CC)n1ccc(CNc2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC001595124558 979505039 /nfs/dbraw/zinc/50/50/39/979505039.db2.gz NFXXDPQZFIACRW-UHFFFAOYSA-N -1 0 323.343 3.833 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595125739 979510408 /nfs/dbraw/zinc/51/04/08/979510408.db2.gz HMWCLDBQRCVPRV-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595126234 979516268 /nfs/dbraw/zinc/51/62/68/979516268.db2.gz SPPBSBABPXBEHH-CQSZACIVSA-N -1 0 321.392 3.850 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001595126695 979520827 /nfs/dbraw/zinc/52/08/27/979520827.db2.gz YYDDIWXJHUMZDM-KDOFPFPSSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](CSCc1ccc(OCc2ccccc2)nc1)C(=O)[O-] ZINC001592825946 979546754 /nfs/dbraw/zinc/54/67/54/979546754.db2.gz PNFODYRXRUOXMI-ZDUSSCGKSA-N -1 0 317.410 3.615 20 0 DHADRM CC[C@@H](CNC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595139383 979591974 /nfs/dbraw/zinc/59/19/74/979591974.db2.gz LJBLQOGGZURSGC-MLBPIDQTSA-N -1 0 323.477 3.846 20 0 DHADRM CC[C@H](CNC(=O)Nc1ccccc1CCC(C)C)C(=O)[O-] ZINC001595153697 979654413 /nfs/dbraw/zinc/65/44/13/979654413.db2.gz DEPDEEUVPFTIII-CYBMUJFWSA-N -1 0 306.406 3.508 20 0 DHADRM O=C([O-])C12CCC(C(=O)N3CCC4(C3)CCCCC4)(CC1)CC2 ZINC000863981932 979679215 /nfs/dbraw/zinc/67/92/15/979679215.db2.gz XWBHMWPEBSSJTC-UHFFFAOYSA-N -1 0 319.445 3.594 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CC2(C)CCCC2)cc1)C(=O)[O-] ZINC001592859389 979682445 /nfs/dbraw/zinc/68/24/45/979682445.db2.gz RZYVZCBWQHETCY-ZDUSSCGKSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2C2CCCCC2)o1 ZINC000864102913 979688005 /nfs/dbraw/zinc/68/80/05/979688005.db2.gz DOWCBCWRPSRWCV-ZHUYAKLQSA-N -1 0 317.385 3.562 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000864113244 979705289 /nfs/dbraw/zinc/70/52/89/979705289.db2.gz NRVYIZRSCSBOQT-RHSMWYFYSA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1cccc2ccccc21 ZINC000864116231 979708612 /nfs/dbraw/zinc/70/86/12/979708612.db2.gz OBEXOQYCRFAGDW-UHFFFAOYSA-N -1 0 313.397 3.532 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)NC(C)(C)C2CCC2)cc1)C(=O)[O-] ZINC001592867791 979716185 /nfs/dbraw/zinc/71/61/85/979716185.db2.gz SCHRAENZVNEZOT-LBPRGKRZSA-N -1 0 318.417 3.650 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1ccsc1C(F)(F)F ZINC000864122667 979720139 /nfs/dbraw/zinc/72/01/39/979720139.db2.gz YEMSLQGSJDBBFO-UHFFFAOYSA-N -1 0 323.336 3.532 20 0 DHADRM CSCCCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000864122976 979720927 /nfs/dbraw/zinc/72/09/27/979720927.db2.gz YWCZBABJUWAQIQ-UHFFFAOYSA-N -1 0 309.431 3.945 20 0 DHADRM CSCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000864122882 979720998 /nfs/dbraw/zinc/72/09/98/979720998.db2.gz BOTPUARBOARDDC-UHFFFAOYSA-N -1 0 309.431 3.945 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000864127988 979728512 /nfs/dbraw/zinc/72/85/12/979728512.db2.gz NPBLSJNZIUDROZ-LLVKDONJSA-N -1 0 303.383 3.554 20 0 DHADRM CCO[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C1CCCC1 ZINC000864135373 979737676 /nfs/dbraw/zinc/73/76/76/979737676.db2.gz KSGSZFUQGFKRIT-INIZCTEOSA-N -1 0 319.401 3.535 20 0 DHADRM CC[C@H](CNc1cc(COC)cc(C(=O)[O-])c1)CC(F)F ZINC001595172506 979742470 /nfs/dbraw/zinc/74/24/70/979742470.db2.gz GKKLHEVOWQSQJU-JTQLQIEISA-N -1 0 301.333 3.625 20 0 DHADRM C[C@H](Cc1ccc(O)cc1)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001592882699 979754150 /nfs/dbraw/zinc/75/41/50/979754150.db2.gz GHMLLLFKDMZNCB-GFCCVEGCSA-N -1 0 322.364 3.682 20 0 DHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592886160 979773277 /nfs/dbraw/zinc/77/32/77/979773277.db2.gz YHUNHCWPWKYKPT-VIFPVBQESA-N -1 0 323.801 3.917 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(C(F)F)CC2)c2ccccc12 ZINC000864176820 979819926 /nfs/dbraw/zinc/81/99/26/979819926.db2.gz YCQDQLAPVSXRJG-UHFFFAOYSA-N -1 0 305.280 3.522 20 0 DHADRM CC[C@H](COC(=O)c1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC001595183682 979821555 /nfs/dbraw/zinc/82/15/55/979821555.db2.gz SNHHLEBGCRVSAL-QMMMGPOBSA-N -1 0 322.254 3.659 20 0 DHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@]12C[C@H]1CCCC2 ZINC000864188774 979837368 /nfs/dbraw/zinc/83/73/68/979837368.db2.gz VEADNOQPDJTACO-BFCNOCSMSA-N -1 0 321.804 3.737 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000864191113 979844086 /nfs/dbraw/zinc/84/40/86/979844086.db2.gz ZBPAPMVESYJEOO-LBPRGKRZSA-N -1 0 323.437 3.520 20 0 DHADRM C/C(=C\C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1Cl ZINC000864200238 979876228 /nfs/dbraw/zinc/87/62/28/979876228.db2.gz UHNRZSJEFSDAJS-QXLXQBSBSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@H](Cc1nnc(SCCCCC(=O)[O-])o1)c1ccccc1 ZINC001592913041 979884281 /nfs/dbraw/zinc/88/42/81/979884281.db2.gz SJNGWEQCGHGTML-GFCCVEGCSA-N -1 0 320.414 3.763 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)c1 ZINC000864228858 979921348 /nfs/dbraw/zinc/92/13/48/979921348.db2.gz QZVXPXDJQACSTK-KRWDZBQOSA-N -1 0 311.381 3.558 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595210446 979984295 /nfs/dbraw/zinc/98/42/95/979984295.db2.gz GXNSEBWSFRVJLJ-HNNXBMFYSA-N -1 0 323.392 3.543 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595211382 979991671 /nfs/dbraw/zinc/99/16/71/979991671.db2.gz TUVWSFCYQYBDOB-HNNXBMFYSA-N -1 0 311.381 3.901 20 0 DHADRM CC(F)(F)CCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592938752 980002490 /nfs/dbraw/zinc/00/24/90/980002490.db2.gz DLGFLHVYRISFKF-UHFFFAOYSA-N -1 0 307.296 3.912 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592943752 980016570 /nfs/dbraw/zinc/01/65/70/980016570.db2.gz CLBWJAARFLNKGJ-UHFFFAOYSA-N -1 0 323.339 3.772 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001592943940 980017434 /nfs/dbraw/zinc/01/74/34/980017434.db2.gz QATISWUQIMIQSW-UHFFFAOYSA-N -1 0 323.270 3.888 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001592944864 980024105 /nfs/dbraw/zinc/02/41/05/980024105.db2.gz RJYNGRUTUIQBJT-VURMDHGXSA-N -1 0 321.279 3.741 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001592944914 980024459 /nfs/dbraw/zinc/02/44/59/980024459.db2.gz SWTLJRICOCBRBC-UHFFFAOYSA-N -1 0 311.309 3.810 20 0 DHADRM C[C@@H](N(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1(C)CC1 ZINC001592950331 980027753 /nfs/dbraw/zinc/02/77/53/980027753.db2.gz DPRXUNUINSATNP-SNVBAGLBSA-N -1 0 315.373 3.518 20 0 DHADRM CC[C@@](NC(=O)C(C)=C1CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232840 980126604 /nfs/dbraw/zinc/12/66/04/980126604.db2.gz KCYDHMGWQOUZLE-KRWDZBQOSA-N -1 0 321.804 3.647 20 0 DHADRM CC[C@@](NC(=O)[C@@H](C)CCC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595232903 980127791 /nfs/dbraw/zinc/12/77/91/980127791.db2.gz LWUIPLJXLSJMHE-LIRRHRJNSA-N -1 0 319.445 3.955 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C1CCCCC1 ZINC001595253116 980227555 /nfs/dbraw/zinc/22/75/55/980227555.db2.gz UMMNIYRUWNCMBV-LBPRGKRZSA-N -1 0 310.419 3.927 20 0 DHADRM CCC(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)(C1CC1)C1CC1 ZINC001595256698 980239223 /nfs/dbraw/zinc/23/92/23/980239223.db2.gz GMWGSOKTYSJRCU-UHFFFAOYSA-N -1 0 320.364 3.614 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cccc(-c2cc[nH]n2)c1 ZINC000901415838 980262212 /nfs/dbraw/zinc/26/22/12/980262212.db2.gz ALECPIIJKOPETK-GFCCVEGCSA-N -1 0 301.390 3.768 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1csc(C)c1 ZINC001595269012 980282376 /nfs/dbraw/zinc/28/23/76/980282376.db2.gz DUZFQYXCTJSNCA-VUDGCMKMSA-N -1 0 319.382 3.628 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)NCCCCC(=O)[O-])c2)c1 ZINC000901485113 980309909 /nfs/dbraw/zinc/30/99/09/980309909.db2.gz HIWIBOIBRZTACL-UHFFFAOYSA-N -1 0 311.381 3.647 20 0 DHADRM CCCCC[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000901725048 980466828 /nfs/dbraw/zinc/46/68/28/980466828.db2.gz DVPZSJDAYPYVRW-LBPRGKRZSA-N -1 0 324.471 3.995 20 0 DHADRM C[C@H](Cc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC000901737109 980471243 /nfs/dbraw/zinc/47/12/43/980471243.db2.gz XXUSULPJQURWRY-KOLCDFICSA-N -1 0 302.201 3.556 20 0 DHADRM CC[C@@H](Nc1ccc(OC)c(-c2ccc(OC)cc2)c1)C(=O)[O-] ZINC001595318186 980498539 /nfs/dbraw/zinc/49/85/39/980498539.db2.gz HAVCUIUCVAIZJR-MRXNPFEDSA-N -1 0 315.369 3.646 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2cccc([C@H](C)C(=O)[O-])c2)C12CCC2 ZINC000901815330 980536590 /nfs/dbraw/zinc/53/65/90/980536590.db2.gz JSZSHJCOHYRATG-APHBMKBZSA-N -1 0 303.402 3.634 20 0 DHADRM Cc1cc(N(C)C)ccc1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901817985 980537499 /nfs/dbraw/zinc/53/74/99/980537499.db2.gz VCOLEAAKLKHWIG-CQSZACIVSA-N -1 0 312.413 3.861 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2nc3c(s2)CCCC3)c1 ZINC000901817943 980537851 /nfs/dbraw/zinc/53/78/51/980537851.db2.gz ULGGPUSAMKWMCJ-NSHDSACASA-N -1 0 316.426 3.822 20 0 DHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC001595346224 980635211 /nfs/dbraw/zinc/63/52/11/980635211.db2.gz ZINHONUJQLAWHJ-SECBINFHSA-N -1 0 310.655 3.536 20 0 DHADRM CC(C)[C@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CS1 ZINC000901948416 980645497 /nfs/dbraw/zinc/64/54/97/980645497.db2.gz WVUGLUPVFCYSCA-QKPAOTATSA-N -1 0 305.443 3.817 20 0 DHADRM CC[C@@H](OC(=O)c1sc2cc(C)ccc2c1Cl)C(=O)[O-] ZINC001595354326 980691001 /nfs/dbraw/zinc/69/10/01/980691001.db2.gz SNXREUYSMUBNEC-SECBINFHSA-N -1 0 312.774 3.883 20 0 DHADRM CCOc1cc(F)ccc1NCc1cc(C(=O)[O-])c(CC)o1 ZINC000902112226 980740637 /nfs/dbraw/zinc/74/06/37/980740637.db2.gz UGCWSIKYOIEFBG-UHFFFAOYSA-N -1 0 307.321 3.690 20 0 DHADRM Cc1ccc(NC(=O)C(C)C)cc1NCCC(C)(C)C(=O)[O-] ZINC000902124285 980746220 /nfs/dbraw/zinc/74/62/20/980746220.db2.gz AVMZVQMYFFCOPN-UHFFFAOYSA-N -1 0 306.406 3.502 20 0 DHADRM CCCCN(Cc1ccc(/C=C\C(=O)[O-])o1)CC(F)(F)F ZINC000902142582 980754230 /nfs/dbraw/zinc/75/42/30/980754230.db2.gz XDNFNHWLLGBEKA-SREVYHEPSA-N -1 0 305.296 3.542 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C ZINC001595361188 980760041 /nfs/dbraw/zinc/76/00/41/980760041.db2.gz DUIZVPLOFCZVIQ-USXIJHARSA-N -1 0 317.429 3.877 20 0 DHADRM CC(C)(CCNc1ccccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC000902167942 980764818 /nfs/dbraw/zinc/76/48/18/980764818.db2.gz JBXKSHDHLSQFFV-AWEZNQCLSA-N -1 0 321.417 3.547 20 0 DHADRM CC(C)c1nc2ccc(NCc3cc(C(=O)[O-])no3)cc2s1 ZINC000902183667 980772643 /nfs/dbraw/zinc/77/26/43/980772643.db2.gz ZHVHTPVOTDIPON-UHFFFAOYSA-N -1 0 317.370 3.718 20 0 DHADRM CC(C)OCc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902183617 980772723 /nfs/dbraw/zinc/77/27/23/980772723.db2.gz XYNHZXKDIZQXPJ-JLJPHGGASA-N -1 0 305.418 3.913 20 0 DHADRM CCN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC(F)F ZINC000902309229 980827487 /nfs/dbraw/zinc/82/74/87/980827487.db2.gz KDUMSWPIMFROAR-UHFFFAOYSA-N -1 0 309.312 3.732 20 0 DHADRM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1OC ZINC000902356136 980849926 /nfs/dbraw/zinc/84/99/26/980849926.db2.gz RBNFPTZYFFDOJL-HNNXBMFYSA-N -1 0 303.358 3.536 20 0 DHADRM CCc1oc(CNCc2c(F)cccc2SC)cc1C(=O)[O-] ZINC000902412125 980876479 /nfs/dbraw/zinc/87/64/79/980876479.db2.gz ZXFLLGJCWDRGAU-UHFFFAOYSA-N -1 0 323.389 3.691 20 0 DHADRM CC(C)(C)C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)C(F)(F)F ZINC000902430369 980883377 /nfs/dbraw/zinc/88/33/77/980883377.db2.gz CJVUGHDLYAHOKR-SYTKJHMZSA-N -1 0 319.323 3.834 20 0 DHADRM CCC1(CC)CCC(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001595374575 980885173 /nfs/dbraw/zinc/88/51/73/980885173.db2.gz IZEJUTMPJKQZMN-UHFFFAOYSA-N -1 0 321.421 3.594 20 0 DHADRM CCC1(CC)CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001595376063 980901975 /nfs/dbraw/zinc/90/19/75/980901975.db2.gz LDJPKNRRLSVBTH-OCCSQVGLSA-N -1 0 309.356 3.530 20 0 DHADRM CCC1(CC)Oc2ccc(NCc3ccc(C(=O)[O-])o3)cc2O1 ZINC001595376584 980907264 /nfs/dbraw/zinc/90/72/64/980907264.db2.gz CRRJBFDZJLEFNK-UHFFFAOYSA-N -1 0 317.341 3.877 20 0 DHADRM CCC1(CC)Oc2ccc(N[C@H]3CC[C@H](C(=O)[O-])C3)cc2O1 ZINC001595376883 980909120 /nfs/dbraw/zinc/90/91/20/980909120.db2.gz QEYUMLLIKOLLLX-RYUDHWBXSA-N -1 0 305.374 3.639 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(C(=O)[O-])s2)CCCCC1 ZINC001595378479 980914449 /nfs/dbraw/zinc/91/44/49/980914449.db2.gz BTHXBWBVZBHINE-UHFFFAOYSA-N -1 0 310.419 3.928 20 0 DHADRM CCC1(CNC(=O)Nc2cc(C)c(C(=O)[O-])cn2)CCCCC1 ZINC001595378939 980916044 /nfs/dbraw/zinc/91/60/44/980916044.db2.gz QPVVFKGNIGKMCN-UHFFFAOYSA-N -1 0 319.405 3.570 20 0 DHADRM O=C([O-])c1ccccc1-c1ccc(CN(CC(F)F)C2CC2)o1 ZINC000902517661 980917569 /nfs/dbraw/zinc/91/75/69/980917569.db2.gz WKTULAVJBXEHLK-UHFFFAOYSA-N -1 0 321.323 3.874 20 0 DHADRM C[C@H](CNC(=O)CC1CCC(c2ccccc2)CC1)CC(=O)[O-] ZINC000262162305 1014693003 /nfs/dbraw/zinc/69/30/03/1014693003.db2.gz CUNPRLZSQXSYFY-UQPPLGOBSA-N -1 0 317.429 3.578 20 0 DHADRM O=C([O-])c1c(Cl)ccc(Nc2cnccc2Cl)c1F ZINC001215694724 1014693695 /nfs/dbraw/zinc/69/36/95/1014693695.db2.gz IQRYGXFUNPCRSJ-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM Cc1cccc(Nc2cccc(NC(=O)C3(C(=O)[O-])CC3)c2C)c1 ZINC000902759194 980943541 /nfs/dbraw/zinc/94/35/41/980943541.db2.gz RDRFXNDZRYQFJA-UHFFFAOYSA-N -1 0 324.380 3.850 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595435509 981065013 /nfs/dbraw/zinc/06/50/13/981065013.db2.gz KQHPBAWZXLGKQY-KGLIPLIRSA-N -1 0 315.413 3.799 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595439127 981074242 /nfs/dbraw/zinc/07/42/42/981074242.db2.gz BZWAAEMREAZIIU-ZIAGYGMSSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595440410 981077049 /nfs/dbraw/zinc/07/70/49/981077049.db2.gz JPKKVRBUHUHDSM-CHWSQXEVSA-N -1 0 319.401 3.573 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595440412 981077358 /nfs/dbraw/zinc/07/73/58/981077358.db2.gz JPKKVRBUHUHDSM-QWHCGFSZSA-N -1 0 319.401 3.573 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595442332 981082184 /nfs/dbraw/zinc/08/21/84/981082184.db2.gz ZBOJOQMUTMHBQB-OGWOLHLISA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001595443864 981083943 /nfs/dbraw/zinc/08/39/43/981083943.db2.gz CYCAEPHAEWXBMM-XHDPSFHLSA-N -1 0 322.380 3.956 20 0 DHADRM CSc1ccc(NC(=O)[C@H](C)Cc2ccco2)cc1C(=O)[O-] ZINC000905043960 981086658 /nfs/dbraw/zinc/08/66/58/981086658.db2.gz LZYPNKJODJPWBZ-SNVBAGLBSA-N -1 0 319.382 3.517 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCC=CCCC1 ZINC000905044468 981087110 /nfs/dbraw/zinc/08/71/10/981087110.db2.gz SFWZHPIDDDCWLQ-CQSZACIVSA-N -1 0 317.385 3.533 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2cc(C(C)(C)C)on2)C(=O)[O-])c1 ZINC000905387396 981106580 /nfs/dbraw/zinc/10/65/80/981106580.db2.gz IMXFLUFNJIQHBA-MRXNPFEDSA-N -1 0 316.401 3.504 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC2CC3(C2)COC(C)(C)C3)cc1 ZINC000905713255 981119870 /nfs/dbraw/zinc/11/98/70/981119870.db2.gz KRMFAAPUBNMMBT-UHFFFAOYSA-N -1 0 317.429 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC2CC3(C2)COC(C)(C)C3)cc1)C(=O)[O-] ZINC000905719196 981121872 /nfs/dbraw/zinc/12/18/72/981121872.db2.gz NKTWOCWKOZAXPH-DAIYRKSASA-N -1 0 317.429 3.709 20 0 DHADRM CC1(C)CC2(CC(Nc3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)C2)CO1 ZINC000905720015 981122561 /nfs/dbraw/zinc/12/25/61/981122561.db2.gz VOWJEIVLZJIUEE-YJTLQXIOSA-N -1 0 315.413 3.634 20 0 DHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001595456848 981127523 /nfs/dbraw/zinc/12/75/23/981127523.db2.gz RKLKTBICIBOODV-WDEREUQCSA-N -1 0 324.808 3.986 20 0 DHADRM Cc1oc(CN[C@@H](c2ncccc2C)C(C)(C)C)cc1C(=O)[O-] ZINC000905795742 981153955 /nfs/dbraw/zinc/15/39/55/981153955.db2.gz AUXYBXWOJPGYDR-INIZCTEOSA-N -1 0 316.401 3.867 20 0 DHADRM CC[C@H]1CCc2ccccc2N1Cc1nc(C(=O)[O-])cs1 ZINC001595468226 981160493 /nfs/dbraw/zinc/16/04/93/981160493.db2.gz QEVPWKAAGLAZQS-LBPRGKRZSA-N -1 0 302.399 3.573 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907597401 981198519 /nfs/dbraw/zinc/19/85/19/981198519.db2.gz ATZRBIXJFWQHNP-ZDUSSCGKSA-N -1 0 319.401 3.511 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC000907767256 981217261 /nfs/dbraw/zinc/21/72/61/981217261.db2.gz MQPPURULXIUDMO-INIZCTEOSA-N -1 0 322.430 3.625 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)c2ccccc2O1 ZINC001595486485 981229413 /nfs/dbraw/zinc/22/94/13/981229413.db2.gz CWUCGQCRUVIFDO-ASCRHOAZSA-N -1 0 313.353 3.555 20 0 DHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1sccc1C1CC1)CC2 ZINC000908050555 981257849 /nfs/dbraw/zinc/25/78/49/981257849.db2.gz OGRGGTMVBZVFKG-UHFFFAOYSA-N -1 0 313.378 3.527 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000908181462 981280597 /nfs/dbraw/zinc/28/05/97/981280597.db2.gz QZKXACMVMCHTFN-OAHLLOKOSA-N -1 0 313.397 3.515 20 0 DHADRM COc1c(NC(=O)CC2(C)CCCCC2)cccc1C(=O)[O-] ZINC000908502099 981319360 /nfs/dbraw/zinc/31/93/60/981319360.db2.gz UGPRECBAARNVHM-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CCCC(=CC(=O)Nc1cc(CCC(=O)[O-])ccc1O)CCC ZINC001595522008 981343328 /nfs/dbraw/zinc/34/33/28/981343328.db2.gz IOKIMROOUCJTHU-UHFFFAOYSA-N -1 0 319.401 3.875 20 0 DHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595536013 981379463 /nfs/dbraw/zinc/37/94/63/981379463.db2.gz MBURYVFVGMWFJG-CABCVRRESA-N -1 0 323.820 3.593 20 0 DHADRM CCC[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccn1 ZINC001595538004 981389632 /nfs/dbraw/zinc/38/96/32/981389632.db2.gz PNYABRYAUSCZFB-NWDGAFQWSA-N -1 0 317.341 3.561 20 0 DHADRM CCC[C@](C)(NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595547712 981422212 /nfs/dbraw/zinc/42/22/12/981422212.db2.gz UCBIUPKEEVYMPU-SUNKGSAMSA-N -1 0 323.355 3.505 20 0 DHADRM O=C([O-])C1CCC(NC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000909158764 981428415 /nfs/dbraw/zinc/42/84/15/981428415.db2.gz YQCASTOJUMBEFD-UHFFFAOYSA-N -1 0 315.413 3.717 20 0 DHADRM CCC[C@](C)(NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001595554011 981433745 /nfs/dbraw/zinc/43/37/45/981433745.db2.gz VYSNEVPVXZKSLR-INIZCTEOSA-N -1 0 322.792 3.503 20 0 DHADRM CCC/C(C)=C\C(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595566067 981459083 /nfs/dbraw/zinc/45/90/83/981459083.db2.gz NMVAKGPHHSYHOU-HECSCLNYSA-N -1 0 303.402 3.797 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC000909288012 981460292 /nfs/dbraw/zinc/46/02/92/981460292.db2.gz NJSPYFARBQUDNW-SFHVURJKSA-N -1 0 301.386 3.734 20 0 DHADRM CCC/C(C)=C/C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595567055 981465589 /nfs/dbraw/zinc/46/55/89/981465589.db2.gz VXAKGZWHFHXWCU-VAWYXSNFSA-N -1 0 301.386 3.719 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909480989 981505820 /nfs/dbraw/zinc/50/58/20/981505820.db2.gz FCHKTPBMWNCDRS-KSVUCXBSSA-N -1 0 315.413 3.502 20 0 DHADRM CCC[C@H](CC)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595585796 981526649 /nfs/dbraw/zinc/52/66/49/981526649.db2.gz DGVFSGMRGBXMMI-KJJQSCHISA-N -1 0 306.358 3.525 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595586350 981531923 /nfs/dbraw/zinc/53/19/23/981531923.db2.gz XBGWKFFWEREEOA-CXAGYDPISA-N -1 0 313.397 3.908 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595586413 981532021 /nfs/dbraw/zinc/53/20/21/981532021.db2.gz YWLDCJQCGOAYBR-GFCCVEGCSA-N -1 0 308.374 3.761 20 0 DHADRM CCCC(CCC)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595586584 981534075 /nfs/dbraw/zinc/53/40/75/981534075.db2.gz GJZOXWJNYULQBL-CZUORRHYSA-N -1 0 305.418 3.781 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595587432 981541682 /nfs/dbraw/zinc/54/16/82/981541682.db2.gz MNSZVWOODVPKTG-CYBMUJFWSA-N -1 0 315.373 3.633 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001595587848 981544317 /nfs/dbraw/zinc/54/43/17/981544317.db2.gz XWSZFVOIJFMZBR-JKSUJKDBSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000909693514 981572648 /nfs/dbraw/zinc/57/26/48/981572648.db2.gz IWMBETIUIKLQEG-WDEREUQCSA-N -1 0 319.788 3.781 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001594742911 981620089 /nfs/dbraw/zinc/62/00/89/981620089.db2.gz IRNPMUDYNYRBNL-HUUCEWRRSA-N -1 0 323.820 3.895 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001594742909 981620226 /nfs/dbraw/zinc/62/02/26/981620226.db2.gz IRNPMUDYNYRBNL-CABCVRRESA-N -1 0 323.820 3.895 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001594743486 981624012 /nfs/dbraw/zinc/62/40/12/981624012.db2.gz SOXGGTQAEILHSD-IRXDYDNUSA-N -1 0 317.429 3.974 20 0 DHADRM CCCC1(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001595615681 981638319 /nfs/dbraw/zinc/63/83/19/981638319.db2.gz RQALCXASQZSSTF-HNNXBMFYSA-N -1 0 315.413 3.501 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909834796 981652548 /nfs/dbraw/zinc/65/25/48/981652548.db2.gz BCLMGXBWOSSMNR-JTQLQIEISA-N -1 0 318.398 3.707 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909835526 981655105 /nfs/dbraw/zinc/65/51/05/981655105.db2.gz SLVVAVYKCZNWOM-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cn1 ZINC000909837439 981658240 /nfs/dbraw/zinc/65/82/40/981658240.db2.gz VQORROGFDVZSTK-GFCCVEGCSA-N -1 0 312.369 3.645 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000909838256 981659205 /nfs/dbraw/zinc/65/92/05/981659205.db2.gz ATVDQJOAUSTSFJ-VIFPVBQESA-N -1 0 315.291 3.546 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001594756772 981678079 /nfs/dbraw/zinc/67/80/79/981678079.db2.gz ZYDUAFFQPGUNIQ-KRWDZBQOSA-N -1 0 317.429 3.504 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595620233 981687111 /nfs/dbraw/zinc/68/71/11/981687111.db2.gz ADUPDEACHIJFRJ-PWSUYJOCSA-N -1 0 322.430 3.553 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595621272 981698061 /nfs/dbraw/zinc/69/80/61/981698061.db2.gz FVACMXSCTNIATE-UIDBIOKJSA-N -1 0 324.465 3.536 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595621702 981702535 /nfs/dbraw/zinc/70/25/35/981702535.db2.gz NCGZWUVFMWEFIX-WBVHZDCISA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595621962 981705126 /nfs/dbraw/zinc/70/51/26/981705126.db2.gz QTUAQXRVDUCUEW-FSDCSDTHSA-N -1 0 317.429 3.781 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595622164 981707585 /nfs/dbraw/zinc/70/75/85/981707585.db2.gz RSQRVIZTVXVWSP-DOTOQJQBSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595623008 981716406 /nfs/dbraw/zinc/71/64/06/981716406.db2.gz ZTGZIBSPLYQBDX-LSDHHAIUSA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@@H]1CCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595623641 981723189 /nfs/dbraw/zinc/72/31/89/981723189.db2.gz VWBCWQGFDGIKDN-SECBINFHSA-N -1 0 302.296 3.568 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001594768382 981730052 /nfs/dbraw/zinc/73/00/52/981730052.db2.gz XEGCGBZJMRQTIH-YOEHRIQHSA-N -1 0 311.381 3.687 20 0 DHADRM CC[C@@H](C(=O)OCc1cc(C(=O)[O-])oc1C)c1ccc(F)cc1 ZINC001594776548 981768548 /nfs/dbraw/zinc/76/85/48/981768548.db2.gz ZJIBLQASGDPZJH-CQSZACIVSA-N -1 0 320.316 3.662 20 0 DHADRM CCCC[C@@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])C(C)C ZINC001595627463 981771867 /nfs/dbraw/zinc/77/18/67/981771867.db2.gz GRRACUNZALWPGV-QGZVFWFLSA-N -1 0 319.445 3.605 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccsc1 ZINC001594780708 981784877 /nfs/dbraw/zinc/78/48/77/981784877.db2.gz HNJPPFVTZBMHKN-QGZVFWFLSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001594780873 981786067 /nfs/dbraw/zinc/78/60/67/981786067.db2.gz ILKYAEKZLNUOJS-FHKFTOANSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1cccc(C)c1 ZINC001594782111 981789122 /nfs/dbraw/zinc/78/91/22/981789122.db2.gz NJXCPIPHOCUKSS-AUUYWEPGSA-N -1 0 317.429 3.590 20 0 DHADRM CCCC[C@@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001595628821 981792162 /nfs/dbraw/zinc/79/21/62/981792162.db2.gz NJTJWQMKLFHLNU-OCCSQVGLSA-N -1 0 324.490 3.733 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595630633 981824234 /nfs/dbraw/zinc/82/42/34/981824234.db2.gz MCJXJCKWVLYWGX-QGZVFWFLSA-N -1 0 318.348 3.790 20 0 DHADRM CCCC[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1OC)C(C)C ZINC001595630669 981824495 /nfs/dbraw/zinc/82/44/95/981824495.db2.gz NOHLTBRZHOSJFW-ZDUSSCGKSA-N -1 0 308.374 3.761 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595631391 981838030 /nfs/dbraw/zinc/83/80/30/981838030.db2.gz ODDQRAJPXDRBGH-CYBMUJFWSA-N -1 0 318.417 3.750 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595631767 981843394 /nfs/dbraw/zinc/84/33/94/981843394.db2.gz BYAHJPOTZKZDTQ-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CCCC[C@@H](CC)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595631934 981847072 /nfs/dbraw/zinc/84/70/72/981847072.db2.gz KXYJBPDMZYPLFR-CYBMUJFWSA-N -1 0 303.402 3.880 20 0 DHADRM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001595632773 981859911 /nfs/dbraw/zinc/85/99/11/981859911.db2.gz QLTPMDUGAOKQAK-AWEZNQCLSA-N -1 0 320.433 3.848 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(Cl)c(C)c1 ZINC001594794222 981868575 /nfs/dbraw/zinc/86/85/75/981868575.db2.gz XKSRBNFOAQCXDA-KRWDZBQOSA-N -1 0 323.820 3.754 20 0 DHADRM CCCC[C@H](CCC)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595633499 981872355 /nfs/dbraw/zinc/87/23/55/981872355.db2.gz MCNDRZSQURKNFZ-LBPRGKRZSA-N -1 0 307.394 3.569 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595633498 981872364 /nfs/dbraw/zinc/87/23/64/981872364.db2.gz MCNDRZSQURKNFZ-GFCCVEGCSA-N -1 0 307.394 3.569 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CC(C)(C(=O)[O-])C2)CC1 ZINC001594796845 981883158 /nfs/dbraw/zinc/88/31/58/981883158.db2.gz NZRPNRSBMPOESP-UHFFFAOYSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001594797274 981885969 /nfs/dbraw/zinc/88/59/69/981885969.db2.gz WPZDLUOXUCYDOW-UHFFFAOYSA-N -1 0 318.417 3.505 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594800692 981888256 /nfs/dbraw/zinc/88/82/56/981888256.db2.gz DQDWMARKLPIOLH-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM COCCC[C@@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910360115 981890801 /nfs/dbraw/zinc/89/08/01/981890801.db2.gz WPGTYKOAFYLBRV-GFCCVEGCSA-N -1 0 315.369 3.539 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCC=CCCC2)c2ccccc21 ZINC000910361278 981891980 /nfs/dbraw/zinc/89/19/80/981891980.db2.gz VFGIGKPKNFEZQT-CABCVRRESA-N -1 0 313.397 3.728 20 0 DHADRM CCCC[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001595635429 981903273 /nfs/dbraw/zinc/90/32/73/981903273.db2.gz UATRQSGGAVRQDE-NRXISQOPSA-N -1 0 311.466 3.989 20 0 DHADRM CCCC[C@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)C1CCC1 ZINC001595635900 981910068 /nfs/dbraw/zinc/91/00/68/981910068.db2.gz OZNVTQNABAVWKC-HNNXBMFYSA-N -1 0 319.405 3.569 20 0 DHADRM CCC(C)(C)CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001594809493 981927145 /nfs/dbraw/zinc/92/71/45/981927145.db2.gz WPVAFJHRYKPXEL-UHFFFAOYSA-N -1 0 318.295 3.563 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594809563 981928013 /nfs/dbraw/zinc/92/80/13/981928013.db2.gz ZPCWXMXVYXGUMH-QGZVFWFLSA-N -1 0 313.397 3.908 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001594814454 981939277 /nfs/dbraw/zinc/93/92/77/981939277.db2.gz ONTFDXKRRFWAEM-OAHLLOKOSA-N -1 0 319.445 3.993 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001594814661 981939789 /nfs/dbraw/zinc/93/97/89/981939789.db2.gz UTXPHJATSVHVKW-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001594815726 981944931 /nfs/dbraw/zinc/94/49/31/981944931.db2.gz LNYZFVPETZPWNN-CQSZACIVSA-N -1 0 317.429 3.605 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594815870 981947013 /nfs/dbraw/zinc/94/70/13/981947013.db2.gz RTHPFEKQWIQPAX-UHFFFAOYSA-N -1 0 314.385 3.663 20 0 DHADRM Cc1cc(CNc2ncnc3sc(C)c(C)c32)oc1C(=O)[O-] ZINC000910479630 981953659 /nfs/dbraw/zinc/95/36/59/981953659.db2.gz XBVXEFBMHRUTKE-UHFFFAOYSA-N -1 0 317.370 3.520 20 0 DHADRM CCCC[C@@H](OC(=O)c1cc2cc(Cl)sc2[nH]1)C(=O)[O-] ZINC001595644928 981983414 /nfs/dbraw/zinc/98/34/14/981983414.db2.gz LBUGOFQPGBDBLW-SECBINFHSA-N -1 0 315.778 3.683 20 0 DHADRM CCCC[C@H](OC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001595646104 981995988 /nfs/dbraw/zinc/99/59/88/981995988.db2.gz XDDFKYXCNLASTR-ZDUSSCGKSA-N -1 0 321.760 3.688 20 0 DHADRM CCCC[C@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(OC)cc1 ZINC001595647165 982004165 /nfs/dbraw/zinc/00/41/65/982004165.db2.gz XWXZCAJFQRPOGH-AWEZNQCLSA-N -1 0 315.373 3.527 20 0 DHADRM CCCC[C@@H](OC(=O)c1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC001595651528 982023290 /nfs/dbraw/zinc/02/32/90/982023290.db2.gz HHWWFSMCRNSCEB-GFCCVEGCSA-N -1 0 323.370 3.512 20 0 DHADRM CC[C@](C)(NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CC1 ZINC001594841405 982053291 /nfs/dbraw/zinc/05/32/91/982053291.db2.gz GHIQUHOOWXTUHH-INIZCTEOSA-N -1 0 322.430 3.807 20 0 DHADRM CCCCC1(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001595656896 982057363 /nfs/dbraw/zinc/05/73/63/982057363.db2.gz HMIMOLLTVKBFNN-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM C[C@](CC(=O)[O-])(C(=O)NCCCC(F)(F)F)C1CCCCC1 ZINC000443032088 1014795371 /nfs/dbraw/zinc/79/53/71/1014795371.db2.gz HYTYTCSRZSGLOS-CQSZACIVSA-N -1 0 323.355 3.506 20 0 DHADRM CCCC[C@H](SCc1ccn(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001595657652 982064767 /nfs/dbraw/zinc/06/47/67/982064767.db2.gz POWOBWHRTYMJBU-HNNXBMFYSA-N -1 0 322.405 3.888 20 0 DHADRM CCCC[C@H](SCc1ccc(Br)cn1)C(=O)[O-] ZINC001595658024 982068777 /nfs/dbraw/zinc/06/87/77/982068777.db2.gz ZMVVLWYRKPSPAE-NSHDSACASA-N -1 0 318.236 3.721 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)ccc1F ZINC000910698233 982069127 /nfs/dbraw/zinc/06/91/27/982069127.db2.gz ABGLRUPUVLPJSF-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595660276 982069351 /nfs/dbraw/zinc/06/93/51/982069351.db2.gz CIWHKTWHYDWRDE-IUODEOHRSA-N -1 0 304.390 3.865 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595660277 982069732 /nfs/dbraw/zinc/06/97/32/982069732.db2.gz CIWHKTWHYDWRDE-SWLSCSKDSA-N -1 0 304.390 3.865 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699391 982069981 /nfs/dbraw/zinc/06/99/81/982069981.db2.gz ACPWHHGRVQBHSZ-VQHVLOKHSA-N -1 0 310.419 3.896 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910706268 982075846 /nfs/dbraw/zinc/07/58/46/982075846.db2.gz QPXATRXZAUAWKT-UHFFFAOYSA-N -1 0 322.386 3.933 20 0 DHADRM CC(C)c1sc(NC(=O)C2CCC3(CC3)CC2)nc1C(=O)[O-] ZINC000910705861 982075901 /nfs/dbraw/zinc/07/59/01/982075901.db2.gz MSFHHGTYISOIRN-UHFFFAOYSA-N -1 0 322.430 3.874 20 0 DHADRM CCCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001595662760 982080982 /nfs/dbraw/zinc/08/09/82/982080982.db2.gz KIYBQTYYNOSDOQ-UHFFFAOYSA-N -1 0 303.358 3.671 20 0 DHADRM CC[C@](C)(NC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001594849097 982084936 /nfs/dbraw/zinc/08/49/36/982084936.db2.gz RMFKCHHIRLZKJV-KRWDZBQOSA-N -1 0 319.426 3.810 20 0 DHADRM O=C(/C=C\C1CCCCC1)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733147 982095616 /nfs/dbraw/zinc/09/56/16/982095616.db2.gz IJKYNYMYIATGOV-TWGQIWQCSA-N -1 0 320.414 3.794 20 0 DHADRM CC[C@@](C)(NCc1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC001594852837 982099777 /nfs/dbraw/zinc/09/97/77/982099777.db2.gz VFXFOZDFUHEJBM-GFCCVEGCSA-N -1 0 309.715 3.859 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595666674 982105339 /nfs/dbraw/zinc/10/53/39/982105339.db2.gz QDGFJWBKJNXVBZ-SFHVURJKSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001595669262 982113365 /nfs/dbraw/zinc/11/33/65/982113365.db2.gz GWVTYRZPYXPFJZ-WFASDCNBSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC001595669966 982114943 /nfs/dbraw/zinc/11/49/43/982114943.db2.gz LFHAOGRZZBLHTC-CQSZACIVSA-N -1 0 323.437 3.520 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](CC)Sc1ccccc1)C(=O)[O-] ZINC001595670591 982119309 /nfs/dbraw/zinc/11/93/09/982119309.db2.gz SFGDZRYMHNSOOQ-CABCVRRESA-N -1 0 323.458 3.707 20 0 DHADRM CCCCC[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001595671677 982123346 /nfs/dbraw/zinc/12/33/46/982123346.db2.gz AGYDLFMMKUWGPP-BDVYOWHSSA-N -1 0 317.429 3.720 20 0 DHADRM CCC[C@@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910807755 982129232 /nfs/dbraw/zinc/12/92/32/982129232.db2.gz QENTXXCILRPPAN-WDIPEOLASA-N -1 0 323.820 3.593 20 0 DHADRM CCCCC[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C(C)(C)C ZINC001595672254 982132151 /nfs/dbraw/zinc/13/21/51/982132151.db2.gz HJRWOWFQHNREMH-NPSOMJIGSA-N -1 0 324.465 3.534 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595672868 982138505 /nfs/dbraw/zinc/13/85/05/982138505.db2.gz UZHLLPOUHPKBGT-RDJZCZTQSA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001595677630 982152210 /nfs/dbraw/zinc/15/22/10/982152210.db2.gz YVCAPNFWEMUICH-OAHLLOKOSA-N -1 0 314.385 3.764 20 0 DHADRM CCCCCCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595690544 982197312 /nfs/dbraw/zinc/19/73/12/982197312.db2.gz RTSFKGZGSLNFLY-LBPRGKRZSA-N -1 0 324.446 3.784 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595694441 982211374 /nfs/dbraw/zinc/21/13/74/982211374.db2.gz AIANBUIRIGYIOS-NSHDSACASA-N -1 0 312.435 3.705 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001595695016 982216221 /nfs/dbraw/zinc/21/62/21/982216221.db2.gz NJYGSXOAILPHJE-CQSZACIVSA-N -1 0 320.433 3.804 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595697190 982238144 /nfs/dbraw/zinc/23/81/44/982238144.db2.gz HNPUGBCMLWXUBN-HOCLYGCPSA-N -1 0 324.465 3.798 20 0 DHADRM CCCCCC[C@H](CC)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595697463 982242246 /nfs/dbraw/zinc/24/22/46/982242246.db2.gz KGLZTPVSWINQSD-DAYGRLMNSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001595698308 982250543 /nfs/dbraw/zinc/25/05/43/982250543.db2.gz RATKKRRQRJEYTQ-LLVKDONJSA-N -1 0 312.435 3.705 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595711231 982298615 /nfs/dbraw/zinc/29/86/15/982298615.db2.gz SFGHMXVBFJOXFZ-ZDUSSCGKSA-N -1 0 307.390 3.617 20 0 DHADRM CCC[C@@H](CC)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000911313400 982333568 /nfs/dbraw/zinc/33/35/68/982333568.db2.gz HKCOAVVWZSBNIV-VXGBXAGGSA-N -1 0 309.431 3.560 20 0 DHADRM CCCCCc1ccc(NC(=O)NC[C@H](CC)C(=O)[O-])cc1 ZINC001595726941 982348517 /nfs/dbraw/zinc/34/85/17/982348517.db2.gz CYGSWHRWVIPQKU-AWEZNQCLSA-N -1 0 306.406 3.652 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H](C)c1ccc(C)o1 ZINC001595731821 982364993 /nfs/dbraw/zinc/36/49/93/982364993.db2.gz IRXGYKDIXAFGEQ-GFCCVEGCSA-N -1 0 318.373 3.618 20 0 DHADRM CCCCN(C(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC001595732132 982366806 /nfs/dbraw/zinc/36/68/06/982366806.db2.gz OVKZATTZAZABTA-UHFFFAOYSA-N -1 0 317.429 3.889 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCC[C@H](C)C1 ZINC001595732200 982368212 /nfs/dbraw/zinc/36/82/12/982368212.db2.gz SJORVRTVGCTTJF-DZGCQCFKSA-N -1 0 318.417 3.601 20 0 DHADRM CCCCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC001595736023 982380981 /nfs/dbraw/zinc/38/09/81/982380981.db2.gz RYHDKOMZQPFQQM-BENRWUELSA-N -1 0 313.353 3.824 20 0 DHADRM CCCCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)CC(F)(F)F ZINC001595749245 982421581 /nfs/dbraw/zinc/42/15/81/982421581.db2.gz SXRYCPKLROAHBP-UHFFFAOYSA-N -1 0 318.339 3.755 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911452481 982438004 /nfs/dbraw/zinc/43/80/04/982438004.db2.gz NSYWNOVVBZUZAS-BXUZGUMPSA-N -1 0 309.793 3.504 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001594928162 982533055 /nfs/dbraw/zinc/53/30/55/982533055.db2.gz CYNXPZNLZYOAID-GXTWGEPZSA-N -1 0 304.415 3.523 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595785825 982572264 /nfs/dbraw/zinc/57/22/64/982572264.db2.gz HTVXAWZCHKZAOV-MRVPVSSYSA-N -1 0 317.357 3.523 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000911651245 982584452 /nfs/dbraw/zinc/58/44/52/982584452.db2.gz NGULPKKJGKKZQJ-CQSZACIVSA-N -1 0 323.392 3.566 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595788841 982585907 /nfs/dbraw/zinc/58/59/07/982585907.db2.gz CONAEJXYJYSXKU-GFCCVEGCSA-N -1 0 309.431 3.862 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001594938056 982604875 /nfs/dbraw/zinc/60/48/75/982604875.db2.gz DNYSKOBYGGUHLF-ZBFHGGJFSA-N -1 0 319.445 3.750 20 0 DHADRM CCCCc1ccc(N(C)Cc2ncc(C(=O)[O-])s2)cc1 ZINC001595797512 982606870 /nfs/dbraw/zinc/60/68/70/982606870.db2.gz XFVLIDZMVPLFMY-UHFFFAOYSA-N -1 0 304.415 3.820 20 0 DHADRM CCCCc1nc(COc2ccc(C(=O)[O-])c(OC)c2)cs1 ZINC001595798759 982611493 /nfs/dbraw/zinc/61/14/93/982611493.db2.gz HRJQLMWOZSDBAH-UHFFFAOYSA-N -1 0 321.398 3.772 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001594939965 982611964 /nfs/dbraw/zinc/61/19/64/982611964.db2.gz WMWAHBDICXSUKS-LZWOXQAQSA-N -1 0 305.418 3.576 20 0 DHADRM CCCCn1c(C)c(C)nc1S[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595801768 982615255 /nfs/dbraw/zinc/61/52/55/982615255.db2.gz AVRGQPZLKUITGD-NSHDSACASA-N -1 0 323.418 3.840 20 0 DHADRM CCCCc1noc([C@H](C)Oc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001595802332 982618222 /nfs/dbraw/zinc/61/82/22/982618222.db2.gz JDDSUJMOOAAZDX-VIFPVBQESA-N -1 0 324.764 3.904 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737957 982619790 /nfs/dbraw/zinc/61/97/90/982619790.db2.gz JQKDCAZYYUMKCU-VXGBXAGGSA-N -1 0 307.390 3.793 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737954 982619921 /nfs/dbraw/zinc/61/99/21/982619921.db2.gz JQKDCAZYYUMKCU-NEPJUHHUSA-N -1 0 307.390 3.793 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911756449 982633657 /nfs/dbraw/zinc/63/36/57/982633657.db2.gz WJYIOWMLSLGVHE-MNOVXSKESA-N -1 0 311.328 3.628 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001594946022 982638008 /nfs/dbraw/zinc/63/80/08/982638008.db2.gz VKSKUOOYIZMJPF-MFKMUULPSA-N -1 0 319.426 3.829 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001594950095 982656950 /nfs/dbraw/zinc/65/69/50/982656950.db2.gz SQUQPKSXTGFSPC-ZUZCIYMTSA-N -1 0 317.385 3.669 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1cc(COC)cs1 ZINC000656566084 1014866010 /nfs/dbraw/zinc/86/60/10/1014866010.db2.gz CZSFKIPQAVQLFT-UHFFFAOYSA-N -1 0 305.399 3.767 20 0 DHADRM CCCN(C(=O)C[C@H](c1ccccc1)C(C)C)[C@@H](C)C(=O)[O-] ZINC001595815741 982666748 /nfs/dbraw/zinc/66/67/48/982666748.db2.gz BRLCGXLDGVJVRZ-HOCLYGCPSA-N -1 0 305.418 3.528 20 0 DHADRM CCCN(C(=O)CCCCCc1cccs1)[C@H](C)C(=O)[O-] ZINC001595817546 982681540 /nfs/dbraw/zinc/68/15/40/982681540.db2.gz UVNCVXLPTKNSCK-CYBMUJFWSA-N -1 0 311.447 3.563 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594958697 982700123 /nfs/dbraw/zinc/70/01/23/982700123.db2.gz XLFXSVXBMFMUIR-CYBMUJFWSA-N -1 0 318.417 3.750 20 0 DHADRM CC[C@H](C)CCCCC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001594959485 982707426 /nfs/dbraw/zinc/70/74/26/982707426.db2.gz VUBYFDBJRLGWLQ-AWEZNQCLSA-N -1 0 321.417 3.719 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594959637 982708509 /nfs/dbraw/zinc/70/85/09/982708509.db2.gz ZYIZRHZVCXYMIV-UKRRQHHQSA-N -1 0 303.402 3.808 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@]1(C)CCc2ccccc21 ZINC000923096002 982720116 /nfs/dbraw/zinc/72/01/16/982720116.db2.gz YCBBNABNGPLHQQ-QGZVFWFLSA-N -1 0 315.394 3.597 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595862622 982797649 /nfs/dbraw/zinc/79/76/49/982797649.db2.gz CCOYFNYWTXOGTR-UHFFFAOYSA-N -1 0 312.435 3.963 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cc(C)cc(C)c2)C(C(=O)[O-])=C1C ZINC001594985615 982804743 /nfs/dbraw/zinc/80/47/43/982804743.db2.gz WGBSDCVVUUEEBE-LRDDRELGSA-N -1 0 316.401 3.527 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C1C ZINC001594985608 982805975 /nfs/dbraw/zinc/80/59/75/982805975.db2.gz VWRZQWGATBMCNE-LKFCYVNXSA-N -1 0 322.792 3.563 20 0 DHADRM CCCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(CC)cc1 ZINC001595870758 982856128 /nfs/dbraw/zinc/85/61/28/982856128.db2.gz XDSMDKSKFNENPF-MRXNPFEDSA-N -1 0 303.402 3.613 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c(C(C)C)c1 ZINC000191169332 1014890545 /nfs/dbraw/zinc/89/05/45/1014890545.db2.gz OQJDOCCDQQKLQI-JKSUJKDBSA-N -1 0 319.401 3.504 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)C(C)C ZINC001116297476 982925907 /nfs/dbraw/zinc/92/59/07/982925907.db2.gz OWCVJXURFYRBSK-GOEBONIOSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@@H](C)Oc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001595008837 982930353 /nfs/dbraw/zinc/93/03/53/982930353.db2.gz RIHJXCQMMADGSD-ZJUUUORDSA-N -1 0 321.402 3.587 20 0 DHADRM CC(C)(CC(=O)N[C@@H](CC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000443413261 1014908724 /nfs/dbraw/zinc/90/87/24/1014908724.db2.gz BQUJTNDKUQAXOF-INIZCTEOSA-N -1 0 317.429 3.925 20 0 DHADRM CCCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595966458 983172875 /nfs/dbraw/zinc/17/28/75/983172875.db2.gz KYNSTFLXWXUEAS-MRXNPFEDSA-N -1 0 303.333 3.852 20 0 DHADRM CCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1OC ZINC001595966823 983174597 /nfs/dbraw/zinc/17/45/97/983174597.db2.gz SJDCUGREHXWZNB-GZBFAFLISA-N -1 0 321.417 3.785 20 0 DHADRM CCCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001595967318 983179024 /nfs/dbraw/zinc/17/90/24/983179024.db2.gz MOBCAVPPJJKXTH-CQSZACIVSA-N -1 0 320.366 3.520 20 0 DHADRM CCCc1cc(=O)[nH]c(C(=Cc2cc(C)c(C(=O)[O-])o2)CC)n1 ZINC001596050531 983349462 /nfs/dbraw/zinc/34/94/62/983349462.db2.gz KLKYVKAXGPVZSS-FLIBITNWSA-N -1 0 316.357 3.685 20 0 DHADRM C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000280848544 1014939592 /nfs/dbraw/zinc/93/95/92/1014939592.db2.gz MJYOCISWASKABM-MRVPVSSYSA-N -1 0 324.764 3.541 20 0 DHADRM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000280848549 1014939925 /nfs/dbraw/zinc/93/99/25/1014939925.db2.gz MJYOCISWASKABM-QMMMGPOBSA-N -1 0 324.764 3.541 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001596062592 983372100 /nfs/dbraw/zinc/37/21/00/983372100.db2.gz GQLXLCPCISIFGE-UHFFFAOYSA-N -1 0 318.760 3.638 20 0 DHADRM CCCc1ccc(Cn2nc(C)c([C@H](C)C(=O)[O-])c2C)cc1 ZINC001596065444 983380850 /nfs/dbraw/zinc/38/08/50/983380850.db2.gz YWIOHKWFBPXWGA-LBPRGKRZSA-N -1 0 300.402 3.689 20 0 DHADRM Cn1ncc(C2CCC2)c1/C=C/c1nc2c(cccc2C(=O)[O-])o1 ZINC000656613342 1014943728 /nfs/dbraw/zinc/94/37/28/1014943728.db2.gz JCYMJOWYFLAGBS-CMDGGOBGSA-N -1 0 323.352 3.697 20 0 DHADRM CCCn1cc(CNc2cc(C(=O)[O-])c(C)cc2C)c(C)n1 ZINC001596116889 983449569 /nfs/dbraw/zinc/44/95/69/983449569.db2.gz VLRNRCGARSOCBY-UHFFFAOYSA-N -1 0 301.390 3.529 20 0 DHADRM CCN(C(=O)[C@@H](C)CCC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001596128590 983473917 /nfs/dbraw/zinc/47/39/17/983473917.db2.gz YSQZRDLDTBIEKM-JTQLQIEISA-N -1 0 312.435 3.657 20 0 DHADRM CCN(C(=O)C[C@@H](C)CCC=C(C)C)c1ncc(C(=O)[O-])s1 ZINC001596134359 983483523 /nfs/dbraw/zinc/48/35/23/983483523.db2.gz WZYYZRHKZHZQQL-LBPRGKRZSA-N -1 0 324.446 3.967 20 0 DHADRM CCN(C(=O)[C@H]1CCCCC1(C)C)c1ccccc1C(=O)[O-] ZINC001596136350 983483981 /nfs/dbraw/zinc/48/39/81/983483981.db2.gz ANNJMNHDOWDNPF-CQSZACIVSA-N -1 0 303.402 3.954 20 0 DHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001596136776 983484776 /nfs/dbraw/zinc/48/47/76/983484776.db2.gz FUOSPYFRMDTJNA-SREVYHEPSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])[C@@H](C)C(C)C ZINC001596158065 983520047 /nfs/dbraw/zinc/52/00/47/983520047.db2.gz JQPDONLJRPIDRW-JTQLQIEISA-N -1 0 312.797 3.937 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1cc(C)ccc1C ZINC001596164918 983528400 /nfs/dbraw/zinc/52/84/00/983528400.db2.gz YEYFJJGYQDBXNG-UHFFFAOYSA-N -1 0 311.381 3.977 20 0 DHADRM CCN(CC(C)(C)C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001596229693 983621694 /nfs/dbraw/zinc/62/16/94/983621694.db2.gz GENWORLMSWVUER-GFCCVEGCSA-N -1 0 323.458 3.760 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000909509738 1014974586 /nfs/dbraw/zinc/97/45/86/1014974586.db2.gz YOKUOSNHZCAIEB-MNOVXSKESA-N -1 0 324.446 3.543 20 0 DHADRM CCN(Cc1ccc(C)c(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC001596358028 983833213 /nfs/dbraw/zinc/83/32/13/983833213.db2.gz ZLWUQRCNCAGQBS-UHFFFAOYSA-N -1 0 319.351 3.994 20 0 DHADRM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1F ZINC001596359968 983836948 /nfs/dbraw/zinc/83/69/48/983836948.db2.gz UQQXRECXBJMQQA-MDZDMXLPSA-N -1 0 303.333 3.539 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001596364569 983849175 /nfs/dbraw/zinc/84/91/75/983849175.db2.gz NTRHYGNRBFDROB-UHFFFAOYSA-N -1 0 321.760 3.602 20 0 DHADRM CCN(Cc1ccnc2c(C(=O)[O-])cccc12)c1ccccc1 ZINC001596375086 983882913 /nfs/dbraw/zinc/88/29/13/983882913.db2.gz GTNKSIPZBJBERZ-UHFFFAOYSA-N -1 0 306.365 3.960 20 0 DHADRM CCN(c1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1CCCCC1 ZINC001596384629 983911356 /nfs/dbraw/zinc/91/13/56/983911356.db2.gz YJGWREZVIPOFDB-UHFFFAOYSA-N -1 0 316.323 3.958 20 0 DHADRM CC(C)c1noc(=NCCOc2ccccc2-c2ccccc2)[n-]1 ZINC000581573963 1015007365 /nfs/dbraw/zinc/00/73/65/1015007365.db2.gz WUFHXXOAVSHDPX-UHFFFAOYSA-N -1 0 323.396 3.773 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NCc1ccccc1OC(C)C ZINC000106986513 1032107661 /nfs/dbraw/zinc/10/76/61/1032107661.db2.gz RKLPTYSLRVVMLG-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM CCN1CCN(Cc2cc(C(=O)[O-])sc2C)c2ccccc21 ZINC001596436172 984116240 /nfs/dbraw/zinc/11/62/40/984116240.db2.gz JOJUKKIGYHBBIV-UHFFFAOYSA-N -1 0 316.426 3.601 20 0 DHADRM C/C(=C/C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588932396 984608142 /nfs/dbraw/zinc/60/81/42/984608142.db2.gz CNUFMXSQNDKQFR-QINSGFPZSA-N -1 0 315.413 3.644 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944030 984644242 /nfs/dbraw/zinc/64/42/42/984644242.db2.gz MNTMAMRAXDTMKX-CLFYSBASSA-N -1 0 305.330 3.627 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)Cc1coc2ccc3ccccc3c12 ZINC001599889840 984681579 /nfs/dbraw/zinc/68/15/79/984681579.db2.gz CMXFONPBLFBKMG-LLVKDONJSA-N -1 0 312.321 3.535 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001588951993 984683660 /nfs/dbraw/zinc/68/36/60/984683660.db2.gz JZJTWVLHTFRCRN-DAXSKMNVSA-N -1 0 316.304 3.705 20 0 DHADRM C/C(=C\C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588952915 984689398 /nfs/dbraw/zinc/68/93/98/984689398.db2.gz DPDVWAYWWAVQEX-USKTWTLRSA-N -1 0 318.300 3.825 20 0 DHADRM C/C(=C\C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1cccc(F)c1 ZINC001588952943 984690353 /nfs/dbraw/zinc/69/03/53/984690353.db2.gz FPULDYVJYVROEX-RUYJGKKWSA-N -1 0 318.300 3.825 20 0 DHADRM C[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CCCC1 ZINC001599893752 984727587 /nfs/dbraw/zinc/72/75/87/984727587.db2.gz CPDNGKLPXXDXJE-JTQLQIEISA-N -1 0 315.373 3.566 20 0 DHADRM O=C(Nc1cnc(C2CC2)nc1)c1c([O-])cc(Cl)cc1Cl ZINC000130232062 1015074956 /nfs/dbraw/zinc/07/49/56/1015074956.db2.gz MUAVCAWIRBJFKS-UHFFFAOYSA-N -1 0 324.167 3.619 20 0 DHADRM C[C@H](CC(F)(F)F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599904457 984904633 /nfs/dbraw/zinc/90/46/33/984904633.db2.gz LQEZBJUMVXAKFZ-BDAKNGLRSA-N -1 0 304.264 3.578 20 0 DHADRM C[C@H]1C[C@H](NCc2ccc(C(=O)[O-])o2)c2ccsc2S1 ZINC001599905379 984915474 /nfs/dbraw/zinc/91/54/74/984915474.db2.gz IIQMPZSTGADRBY-KWQFWETISA-N -1 0 309.412 3.755 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001588999653 984939823 /nfs/dbraw/zinc/93/98/23/984939823.db2.gz YRSSTKNSTRWTPH-QXMHVHEDSA-N -1 0 313.328 3.590 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001588999655 984940034 /nfs/dbraw/zinc/94/00/34/984940034.db2.gz YRSSTKNSTRWTPH-VAWYXSNFSA-N -1 0 313.328 3.590 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001589000644 984940957 /nfs/dbraw/zinc/94/09/57/984940957.db2.gz CJZGQYRMDVNCES-ZHZWZMEUSA-N -1 0 323.820 3.749 20 0 DHADRM CC(=C\c1ccccc1)/C=C1/C(=O)Nc2cc(F)c(C(=O)[O-])cc21 ZINC001589001486 984945485 /nfs/dbraw/zinc/94/54/85/984945485.db2.gz KRYURPHUGVCZOO-HPIZBCMHSA-N -1 0 323.323 3.963 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001589003767 984956977 /nfs/dbraw/zinc/95/69/77/984956977.db2.gz LAUKEIUEAOARIS-BENRWUELSA-N -1 0 315.394 3.622 20 0 DHADRM CCOC(=O)c1cccc(SC[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001596730755 984996886 /nfs/dbraw/zinc/99/68/86/984996886.db2.gz PKYHABIJCDBEGC-HIFRSBDPSA-N -1 0 322.426 3.846 20 0 DHADRM CCOC(=O)c1cccc(SCc2ccsc2C(=O)[O-])c1 ZINC001596730799 984997560 /nfs/dbraw/zinc/99/75/60/984997560.db2.gz REMHZEHONUCPCC-UHFFFAOYSA-N -1 0 322.407 3.915 20 0 DHADRM CC(=O)[C@@H](C)S[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589022694 985018239 /nfs/dbraw/zinc/01/82/39/985018239.db2.gz 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ZINC000656738449 1015107430 /nfs/dbraw/zinc/10/74/30/1015107430.db2.gz WBQWFURVPHFYSI-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cnn2CC)cc1 ZINC000656741834 1015112007 /nfs/dbraw/zinc/11/20/07/1015112007.db2.gz QMAHIWUMNYBBPK-LBPRGKRZSA-N -1 0 321.446 3.526 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C[C@@H]1C ZINC001594477433 985499173 /nfs/dbraw/zinc/49/91/73/985499173.db2.gz HISOWBUXLAVZGY-RYUDHWBXSA-N -1 0 312.369 3.658 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1)C(=O)[O-] ZINC001594478773 985507805 /nfs/dbraw/zinc/50/78/05/985507805.db2.gz FEXBAWZFHLFSSU-STQMWFEESA-N -1 0 318.417 3.602 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])c(C)s2)C1(CC)CC ZINC001596843487 985533939 /nfs/dbraw/zinc/53/39/39/985533939.db2.gz SDXPQXLDLFOSBG-GHMZBOCLSA-N -1 0 312.435 3.545 20 0 DHADRM Cc1[nH]c(C(=O)COc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599947115 985546308 /nfs/dbraw/zinc/54/63/08/985546308.db2.gz BBWQAKYLTAHRBT-UHFFFAOYSA-N -1 0 323.348 3.745 20 0 DHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001599947720 985557252 /nfs/dbraw/zinc/55/72/52/985557252.db2.gz GSBHEVXEGDVHPU-SNVBAGLBSA-N -1 0 321.373 3.832 20 0 DHADRM Cc1[nH]c(C(=O)N2CCCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC001599951204 985609934 /nfs/dbraw/zinc/60/99/34/985609934.db2.gz UDLYAMMCRVQGDB-UHFFFAOYSA-N -1 0 318.417 3.516 20 0 DHADRM Cc1[nH]c(C(=O)N[C@H]2CCCCC23CCCC3)c(C)c1C(=O)[O-] ZINC001599952144 985626917 /nfs/dbraw/zinc/62/69/17/985626917.db2.gz HGJPUPSCRBWOER-ZDUSSCGKSA-N -1 0 318.417 3.563 20 0 DHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCC1(F)F ZINC001594498989 985662153 /nfs/dbraw/zinc/66/21/53/985662153.db2.gz BJLTYCPNPSZALS-QPUJVOFHSA-N -1 0 321.726 3.582 20 0 DHADRM CC(=O)c1ccc(F)cc1OCc1c(Cl)cccc1C(=O)[O-] ZINC001589284346 986020708 /nfs/dbraw/zinc/02/07/08/986020708.db2.gz YSDJNSUXEONLTG-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001589297337 986040511 /nfs/dbraw/zinc/04/05/11/986040511.db2.gz LZOUVXWKGOFTIF-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CC(=O)c1ccc(OCCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001589297403 986041560 /nfs/dbraw/zinc/04/15/60/986041560.db2.gz RCPGKQNVIIHWLY-UHFFFAOYSA-N -1 0 318.756 3.862 20 0 DHADRM CCOCc1ccccc1CNc1ncc(C(=O)[O-])cc1Cl ZINC001596950253 986109849 /nfs/dbraw/zinc/10/98/49/986109849.db2.gz CLYHKGHZXRKFSS-UHFFFAOYSA-N -1 0 320.776 3.582 20 0 DHADRM C[C@@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc21 ZINC001594538818 986167855 /nfs/dbraw/zinc/16/78/55/986167855.db2.gz OLCDNOJGGPRSNR-CQSZACIVSA-N -1 0 307.393 3.927 20 0 DHADRM C[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)[C@@H](C)C(C)(C)C ZINC001589342278 986266719 /nfs/dbraw/zinc/26/67/19/986266719.db2.gz HUUMAKJRVFPSDC-CHWSQXEVSA-N -1 0 323.408 3.952 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1(C2CCC2)CCC1 ZINC001597009666 986345000 /nfs/dbraw/zinc/34/50/00/986345000.db2.gz OQRMCRZLNQVSNO-UHFFFAOYSA-N -1 0 317.385 3.692 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)CCC1(C)C ZINC001597015767 986370687 /nfs/dbraw/zinc/37/06/87/986370687.db2.gz VNVJNXQFDRLOAG-LLVKDONJSA-N -1 0 320.389 3.578 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)CC[C@H]1CC ZINC001597015739 986370736 /nfs/dbraw/zinc/37/07/36/986370736.db2.gz UUWXYLIAPGEXLI-DGCLKSJQSA-N -1 0 320.389 3.578 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@@H](C)CC[C@@H]1CC ZINC001597015738 986370893 /nfs/dbraw/zinc/37/08/93/986370893.db2.gz UUWXYLIAPGEXLI-AAEUAGOBSA-N -1 0 320.389 3.578 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1C ZINC001597016407 986379926 /nfs/dbraw/zinc/37/99/26/986379926.db2.gz AEKIVJZYZQEUBF-GFCCVEGCSA-N -1 0 320.389 3.580 20 0 DHADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001594583817 986452026 /nfs/dbraw/zinc/45/20/26/986452026.db2.gz PVOWAZFKEYYPHU-QMTHXVAHSA-N -1 0 302.761 3.631 20 0 DHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)C(F)(F)F ZINC001589385513 986476730 /nfs/dbraw/zinc/47/67/30/986476730.db2.gz IHICCHXLLXLXKX-CMPLNLGQSA-N -1 0 323.355 3.505 20 0 DHADRM CCOc1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001597062142 986552350 /nfs/dbraw/zinc/55/23/50/986552350.db2.gz MWBPVCCOCKSMIH-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1cccs1 ZINC001589401412 986571560 /nfs/dbraw/zinc/57/15/60/986571560.db2.gz SLWSUUQKVQYPJT-GXTWGEPZSA-N -1 0 323.458 3.639 20 0 DHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)C1CCCC1 ZINC001589429283 986708845 /nfs/dbraw/zinc/70/88/45/986708845.db2.gz MREOPDDVILOOTH-QMMMGPOBSA-N -1 0 311.765 3.509 20 0 DHADRM C[C@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccco1 ZINC001589430576 986719586 /nfs/dbraw/zinc/71/95/86/986719586.db2.gz UCJRIAYIDRVMEQ-ZETCQYMHSA-N -1 0 311.696 3.513 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C(=O)[O-])c1F ZINC001597113451 986786894 /nfs/dbraw/zinc/78/68/94/986786894.db2.gz UGJMLHQGUMKDAH-DYZYQPBXSA-N -1 0 323.364 3.543 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 ZINC001589454453 986879495 /nfs/dbraw/zinc/87/94/95/986879495.db2.gz NYCKOEKCCLXCND-KKOFPSKJSA-N -1 0 317.429 3.637 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001589459119 986907030 /nfs/dbraw/zinc/90/70/30/986907030.db2.gz VUXOKWGCPVZXRC-CJNGLKHVSA-N -1 0 303.402 3.535 20 0 DHADRM CCOc1cccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001597146272 986909958 /nfs/dbraw/zinc/90/99/58/986909958.db2.gz XLAFLLNBHBOXSA-LBPRGKRZSA-N -1 0 313.353 3.526 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 ZINC001589469836 986948481 /nfs/dbraw/zinc/94/84/81/986948481.db2.gz ZKWZEVNNFIFMDJ-LRDDRELGSA-N -1 0 316.401 3.524 20 0 DHADRM CCOc1cccc(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001597162237 986970923 /nfs/dbraw/zinc/97/09/23/986970923.db2.gz YCTLWQFUJSCYLG-UHFFFAOYSA-N -1 0 314.341 3.736 20 0 DHADRM CCOc1ccccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001597167822 986994179 /nfs/dbraw/zinc/99/41/79/986994179.db2.gz HEZCMBBQONKCNK-LBPRGKRZSA-N -1 0 313.353 3.526 20 0 DHADRM C/C=C(\CC)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594676935 987009417 /nfs/dbraw/zinc/00/94/17/987009417.db2.gz ULZKKCRAKUPVEN-VBGPOXQHSA-N -1 0 309.793 3.502 20 0 DHADRM C/C=C(/CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594677307 987013698 /nfs/dbraw/zinc/01/36/98/987013698.db2.gz ZNNBYEQISZAKER-CLTKARDFSA-N -1 0 302.157 3.986 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001594685996 987059388 /nfs/dbraw/zinc/05/93/88/987059388.db2.gz KQEHLLDUXUSDHU-PCAWENJQSA-N -1 0 322.430 3.965 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594686595 987068005 /nfs/dbraw/zinc/06/80/05/987068005.db2.gz ZDDRVBONIOEQRA-JDGPPOGSSA-N -1 0 320.364 3.734 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC001589504827 987116427 /nfs/dbraw/zinc/11/64/27/987116427.db2.gz NNDZOXGLMNJMHL-NEPJUHHUSA-N -1 0 316.357 3.693 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC001589508787 987130458 /nfs/dbraw/zinc/13/04/58/987130458.db2.gz MEFADJRKPSKGAI-ZFWWWQNUSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1 ZINC001589520805 987163108 /nfs/dbraw/zinc/16/31/08/987163108.db2.gz DBLXSKOTTUBUBN-GFCCVEGCSA-N -1 0 322.364 3.619 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCCOc2ccc(F)cc2)c1 ZINC001589531479 987203639 /nfs/dbraw/zinc/20/36/39/987203639.db2.gz FSIKBMOGUDROML-GFCCVEGCSA-N -1 0 303.333 3.505 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC001589531794 987206930 /nfs/dbraw/zinc/20/69/30/987206930.db2.gz KMSMCHYGHWEEQL-LLVKDONJSA-N -1 0 309.321 3.873 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ccn(C)c3c2)c1 ZINC001589533299 987225231 /nfs/dbraw/zinc/22/52/31/987225231.db2.gz ZEUGQKXRTAGCBG-LBPRGKRZSA-N -1 0 322.364 3.619 20 0 DHADRM C[C@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001589542373 987252914 /nfs/dbraw/zinc/25/29/14/987252914.db2.gz AIRQCJUEJOPULP-ABAIWWIYSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC001594739876 987282877 /nfs/dbraw/zinc/28/28/77/987282877.db2.gz CEQAJWQGBAHKPQ-HNNXBMFYSA-N -1 0 321.392 3.598 20 0 DHADRM CCSCc1ccnc(NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001597266829 987298489 /nfs/dbraw/zinc/29/84/89/987298489.db2.gz BHFMSEIIZMIKLZ-WAYWQWQTSA-N -1 0 318.398 3.638 20 0 DHADRM CCSCc1ccnc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC001597267200 987301122 /nfs/dbraw/zinc/30/11/22/987301122.db2.gz HEZKTUQXGXONQF-KWCYVHTRSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1ccc(CC(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597272329 987319608 /nfs/dbraw/zinc/31/96/08/987319608.db2.gz DVOCOFPZGSWGES-UONOGXRCSA-N -1 0 322.426 3.528 20 0 DHADRM CCSc1ccccc1OC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001597279725 987344405 /nfs/dbraw/zinc/34/44/05/987344405.db2.gz JSRZPTASPQUGGL-FPLPWBNLSA-N -1 0 318.350 3.709 20 0 DHADRM CCSc1nnc(S[C@@H](CC(C)(C)C)C(=O)[O-])s1 ZINC001597280172 987350662 /nfs/dbraw/zinc/35/06/62/987350662.db2.gz SDYWFYUQBPQTCL-ZETCQYMHSA-N -1 0 306.478 3.632 20 0 DHADRM CC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1F ZINC001597291552 987378072 /nfs/dbraw/zinc/37/80/72/987378072.db2.gz LKKOCVVPKSZBCT-JOYOIKCWSA-N -1 0 308.378 3.782 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NCc1ncc(Cl)s1)c1ccccc1 ZINC001589602066 987431152 /nfs/dbraw/zinc/43/11/52/987431152.db2.gz VMDOLOLQINWFOS-ZDUSSCGKSA-N -1 0 324.833 3.738 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000008104962 1015307624 /nfs/dbraw/zinc/30/76/24/1015307624.db2.gz SQHMVIMSHBACDQ-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/c1ccccc1 ZINC001589617259 987491224 /nfs/dbraw/zinc/49/12/24/987491224.db2.gz YGOQNGGUYZAJQU-BUHFOSPRSA-N -1 0 323.392 3.592 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC001597355675 987503299 /nfs/dbraw/zinc/50/32/99/987503299.db2.gz JOOTVHBOJGWHKN-XIRDDKMYSA-N -1 0 323.477 3.990 20 0 DHADRM CCc1[nH]c(C(=O)NCC2(CC(C)C)CCC2)c(C)c1C(=O)[O-] ZINC001597366268 987536737 /nfs/dbraw/zinc/53/67/37/987536737.db2.gz DOBAHEJTKPCNJG-UHFFFAOYSA-N -1 0 320.433 3.530 20 0 DHADRM CCc1[nH]c(CN(C)Cc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC001597380539 987576688 /nfs/dbraw/zinc/57/66/88/987576688.db2.gz PHFFDVFABWZUFC-UHFFFAOYSA-N -1 0 324.783 3.700 20 0 DHADRM CCc1[nH]ccc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001597398535 987651854 /nfs/dbraw/zinc/65/18/54/987651854.db2.gz MISIMSYGPAMVBN-CQSZACIVSA-N -1 0 320.433 3.511 20 0 DHADRM CCc1[nH]c(CNc2cccc([C@@H](C)OC)c2)cc1C(=O)[O-] ZINC001597398913 987655539 /nfs/dbraw/zinc/65/55/39/987655539.db2.gz YSYXOMZVNJTYNC-LLVKDONJSA-N -1 0 302.374 3.595 20 0 DHADRM CCc1cc(Br)ccc1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001597423827 987746176 /nfs/dbraw/zinc/74/61/76/987746176.db2.gz HPGDOVWWWKUDOG-PWSUYJOCSA-N -1 0 312.207 3.677 20 0 DHADRM CCc1cc(Br)ccc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001597424226 987746915 /nfs/dbraw/zinc/74/69/15/987746915.db2.gz OTYRYGKJFZSFSA-UHFFFAOYSA-N -1 0 323.190 3.650 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C[C@H]1CCCc2ccccc21 ZINC001589700709 987793658 /nfs/dbraw/zinc/79/36/58/987793658.db2.gz PAIPRCFFOZDFSF-ZBFHGGJFSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)/C(C)=C\c2ccco2)s1 ZINC001597440745 987800289 /nfs/dbraw/zinc/80/02/89/987800289.db2.gz JFHRQTCWGMPORI-CLFYSBASSA-N -1 0 305.355 3.644 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2occc2C(C)C)s1 ZINC001597444967 987815119 /nfs/dbraw/zinc/81/51/19/987815119.db2.gz GGSKLYQDLPAKBX-UHFFFAOYSA-N -1 0 307.371 3.977 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001597449322 987832665 /nfs/dbraw/zinc/83/26/65/987832665.db2.gz ATJDBEWGDUCWGH-ABIUDSBCSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CC)CC(F)(F)F ZINC001597449777 987835616 /nfs/dbraw/zinc/83/56/16/987835616.db2.gz KNAGVRWZVKXUEC-SNVBAGLBSA-N -1 0 317.307 3.864 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1CC ZINC001597453073 987853513 /nfs/dbraw/zinc/85/35/13/987853513.db2.gz KQDJMCSHEHKPGL-CQSZACIVSA-N -1 0 304.390 3.744 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C2CCC2)C1 ZINC001597453419 987855132 /nfs/dbraw/zinc/85/51/32/987855132.db2.gz PREHKQMDJNIDGK-OAHLLOKOSA-N -1 0 316.401 3.601 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC001597453818 987857296 /nfs/dbraw/zinc/85/72/96/987857296.db2.gz STFWDEWGNJWOHH-NWDGAFQWSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(CC)CCC1 ZINC001597457575 987876007 /nfs/dbraw/zinc/87/60/07/987876007.db2.gz LOPVGXXPLAJNMC-UHFFFAOYSA-N -1 0 304.390 3.649 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)C1CCCC1 ZINC001597465019 987901281 /nfs/dbraw/zinc/90/12/81/987901281.db2.gz ORYNUDSVLIJRDG-NSHDSACASA-N -1 0 304.390 3.647 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC001589726976 987918044 /nfs/dbraw/zinc/91/80/44/987918044.db2.gz URMJFMXFNXNSNK-YMAMQOFZSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001589728339 987930183 /nfs/dbraw/zinc/93/01/83/987930183.db2.gz IYSOOEOKKFRXAH-WDEREUQCSA-N -1 0 324.446 3.566 20 0 DHADRM CC(C)(C)C1CCC(OC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001589728274 987930244 /nfs/dbraw/zinc/93/02/44/987930244.db2.gz HJZQXJMVWLYSHN-UHFFFAOYSA-N -1 0 311.403 3.603 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589728468 987932659 /nfs/dbraw/zinc/93/26/59/987932659.db2.gz MFAVELOCQSOLEW-GXTWGEPZSA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589728471 987933140 /nfs/dbraw/zinc/93/31/40/987933140.db2.gz MFAVELOCQSOLEW-TZMCWYRMSA-N -1 0 322.380 3.860 20 0 DHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)CCCC(=O)[O-] ZINC001597478730 987965082 /nfs/dbraw/zinc/96/50/82/987965082.db2.gz UEJJPVZUIAVWOO-UHFFFAOYSA-N -1 0 305.157 3.716 20 0 DHADRM CC(C)(C)[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001589735130 987982859 /nfs/dbraw/zinc/98/28/59/987982859.db2.gz MFNOTMUKQPIRAC-OAHLLOKOSA-N -1 0 310.397 3.930 20 0 DHADRM CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1CC ZINC001597498493 988044948 /nfs/dbraw/zinc/04/49/48/988044948.db2.gz GSVOQOAFSSENFX-KRWDZBQOSA-N -1 0 323.392 3.640 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001589750787 988047756 /nfs/dbraw/zinc/04/77/56/988047756.db2.gz CNEMYHKEOUHXAD-SNVBAGLBSA-N -1 0 311.447 3.665 20 0 DHADRM CC(C)(C)C[C@@H](NCc1ccsc1C(=O)[O-])C(F)(F)F ZINC001589752266 988062507 /nfs/dbraw/zinc/06/25/07/988062507.db2.gz SXIIYKLZMCNLIM-SECBINFHSA-N -1 0 309.353 3.903 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001589761683 988089873 /nfs/dbraw/zinc/08/98/73/988089873.db2.gz FUXUALCRTCNPDY-CYBMUJFWSA-N -1 0 323.389 3.769 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597511950 988094666 /nfs/dbraw/zinc/09/46/66/988094666.db2.gz LIUOFZVZICNQFX-IAQYHMDHSA-N -1 0 318.394 3.783 20 0 DHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001589764249 988098186 /nfs/dbraw/zinc/09/81/86/988098186.db2.gz CMOFTLASVABYAY-GFCCVEGCSA-N -1 0 307.390 3.655 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1Cc2ccccc2S1 ZINC000474435424 1015360327 /nfs/dbraw/zinc/36/03/27/1015360327.db2.gz BUSMBKMSYJULKQ-CYBMUJFWSA-N -1 0 323.776 3.840 20 0 DHADRM CSCCCCC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001599797522 988121312 /nfs/dbraw/zinc/12/13/12/988121312.db2.gz NVLVPYJYYJOTIZ-UHFFFAOYSA-N -1 0 315.822 3.818 20 0 DHADRM CC(C)(C)CCCOc1ccc(Br)nc1C(=O)[O-] ZINC001589774383 988132631 /nfs/dbraw/zinc/13/26/31/988132631.db2.gz IOPRMTLZROLHAH-UHFFFAOYSA-N -1 0 316.195 3.747 20 0 DHADRM Cn1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c2ccccc21 ZINC000474446129 1015366132 /nfs/dbraw/zinc/36/61/32/1015366132.db2.gz NTDBLVJOBMTTON-UHFFFAOYSA-N -1 0 318.735 3.929 20 0 DHADRM CCc1ccc(CN2CCCc3c(C(=O)[O-])ccc(C)c32)nc1 ZINC001597526287 988171388 /nfs/dbraw/zinc/17/13/88/988171388.db2.gz SDONTMFKJQWSRT-UHFFFAOYSA-N -1 0 310.397 3.603 20 0 DHADRM CSCCc1ccccc1N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599801993 988192221 /nfs/dbraw/zinc/19/22/21/988192221.db2.gz OVPYNULPLQISBX-SNVBAGLBSA-N -1 0 322.455 3.920 20 0 DHADRM CCc1ccc(N(CC)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001597533843 988197953 /nfs/dbraw/zinc/19/79/53/988197953.db2.gz SMKSEYOBBJALNF-BENRWUELSA-N -1 0 313.353 3.607 20 0 DHADRM CCc1ccc(NC(=O)[C@H](C)c2ccccc2C)c(C(=O)[O-])c1 ZINC001597543060 988236598 /nfs/dbraw/zinc/23/65/98/988236598.db2.gz QOVDOXMZZJIWOA-CYBMUJFWSA-N -1 0 311.381 3.998 20 0 DHADRM CCc1ccc(NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001597547177 988257126 /nfs/dbraw/zinc/25/71/26/988257126.db2.gz FRQQDLCBYRWMIB-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM CSc1c(F)cccc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001599806054 988258187 /nfs/dbraw/zinc/25/81/87/988258187.db2.gz KAHNKFOEMVEBGA-UHFFFAOYSA-N -1 0 320.301 3.556 20 0 DHADRM CCc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001597550687 988269498 /nfs/dbraw/zinc/26/94/98/988269498.db2.gz JYHMLVJHAXRODX-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CCc1ccc(NCc2cccc3c2CCOC3)c(C(=O)[O-])c1 ZINC001597551141 988272870 /nfs/dbraw/zinc/27/28/70/988272870.db2.gz BTXVTBIFDREDEQ-UHFFFAOYSA-N -1 0 311.381 3.632 20 0 DHADRM CCc1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1OC ZINC001597551467 988275224 /nfs/dbraw/zinc/27/52/24/988275224.db2.gz HWDKFNBIKFEXOJ-UHFFFAOYSA-N -1 0 314.385 3.773 20 0 DHADRM CCc1ccc(O)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597556508 988289772 /nfs/dbraw/zinc/28/97/72/988289772.db2.gz PPPICWXFAAYRRE-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)o1 ZINC001599809039 988301611 /nfs/dbraw/zinc/30/16/11/988301611.db2.gz XRFATYJVKSKKNK-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1ccc([C@H](C)NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001597563305 988314100 /nfs/dbraw/zinc/31/41/00/988314100.db2.gz IHEPTLBZPGSNPB-NSHDSACASA-N -1 0 315.344 3.577 20 0 DHADRM CCc1ccc2c(c1)CCN2c1nc(Cl)c(C(=O)[O-])s1 ZINC001597569156 988330961 /nfs/dbraw/zinc/33/09/61/988330961.db2.gz LWJDYJPYPIQSNP-UHFFFAOYSA-N -1 0 308.790 3.751 20 0 DHADRM CCc1ccc2occ(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c2c1 ZINC001597570383 988342525 /nfs/dbraw/zinc/34/25/25/988342525.db2.gz GPAYAGIDLPESNA-AWEZNQCLSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001597572874 988355430 /nfs/dbraw/zinc/35/54/30/988355430.db2.gz OAAFQHWPBQYNCI-DLBZAZTESA-N -1 0 323.392 3.998 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)nc(Cl)c1 ZINC001597574030 988359422 /nfs/dbraw/zinc/35/94/22/988359422.db2.gz XXUYZMCEAHRWAJ-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CSc1ccc(C)c(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC001599812611 988363450 /nfs/dbraw/zinc/36/34/50/988363450.db2.gz NTINRAFLTILUJQ-GQCTYLIASA-N -1 0 317.366 3.660 20 0 DHADRM CCc1cccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001597580952 988384711 /nfs/dbraw/zinc/38/47/11/988384711.db2.gz JPGCCIBVZVECRR-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CSc1ccc(NC(=O)/C=C\c2ccsc2)cc1C(=O)[O-] ZINC001599815554 988416675 /nfs/dbraw/zinc/41/66/75/988416675.db2.gz DCTDPVHUCLYRAF-DJWKRKHSSA-N -1 0 319.407 3.820 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC001599817272 988448370 /nfs/dbraw/zinc/44/83/70/988448370.db2.gz JADIZCAEWAJMQY-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM CSc1ccc(NC(=O)N[C@@]23C[C@@H]2CCCC3)cc1C(=O)[O-] ZINC001599818562 988471622 /nfs/dbraw/zinc/47/16/22/988471622.db2.gz VNNWHLDDASMDBQ-QFYYESIMSA-N -1 0 320.414 3.561 20 0 DHADRM CSc1ccc([C@@H](C)NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001599820855 988510839 /nfs/dbraw/zinc/51/08/39/988510839.db2.gz BWVDLVWAQIYJRM-SECBINFHSA-N -1 0 321.423 3.659 20 0 DHADRM CSc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC001599820961 988512249 /nfs/dbraw/zinc/51/22/49/988512249.db2.gz REZPKWMIQKRTPA-GFCCVEGCSA-N -1 0 317.410 3.873 20 0 DHADRM CSc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001599821289 988517912 /nfs/dbraw/zinc/51/79/12/988517912.db2.gz TYDVXXLGICMHDO-SECBINFHSA-N -1 0 321.423 3.659 20 0 DHADRM CSc1cccc(NCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001599823206 988549901 /nfs/dbraw/zinc/54/99/01/988549901.db2.gz FGWPEEQUUFPJCH-UHFFFAOYSA-N -1 0 308.790 3.767 20 0 DHADRM CSc1ccccc1CC(=O)Nc1c(C)csc1C(=O)[O-] ZINC001599824054 988566740 /nfs/dbraw/zinc/56/67/40/988566740.db2.gz PEIHSADJFBFTKF-UHFFFAOYSA-N -1 0 321.423 3.658 20 0 DHADRM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166814 1015400896 /nfs/dbraw/zinc/40/08/96/1015400896.db2.gz ZNKDKXOKAHKBDD-NSHDSACASA-N -1 0 301.367 3.504 20 0 DHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166729 1015400971 /nfs/dbraw/zinc/40/09/71/1015400971.db2.gz RDJKWWTYOPDSNA-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)c1occc1CSc1ccccc1 ZINC001599835570 988737114 /nfs/dbraw/zinc/73/71/14/988737114.db2.gz YWEMDVFLDWBGLS-NSHDSACASA-N -1 0 320.366 3.592 20 0 DHADRM CCc1nc(CS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cs1 ZINC001597672899 988769090 /nfs/dbraw/zinc/76/90/90/988769090.db2.gz BKLPNEPQUWCCJY-AWEZNQCLSA-N -1 0 321.467 3.943 20 0 DHADRM CCc1nc(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)sc1C(=O)[O-] ZINC001597676101 988790044 /nfs/dbraw/zinc/79/00/44/988790044.db2.gz RYTOYVYHLILFHR-DTWKUNHWSA-N -1 0 312.435 3.661 20 0 DHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCCCCC1 ZINC001599839103 988793637 /nfs/dbraw/zinc/79/36/37/988793637.db2.gz QEVYQKPWGSRXRN-CQSZACIVSA-N -1 0 317.429 3.793 20 0 DHADRM CCc1nc(NC(=O)CC2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC001597678887 988800460 /nfs/dbraw/zinc/80/04/60/988800460.db2.gz XDKACNRDBJWNQE-UHFFFAOYSA-N -1 0 324.446 3.949 20 0 DHADRM COc1cccc2c1CCCCN2C(=O)c1cccc(F)c1[O-] ZINC001266834801 1015422020 /nfs/dbraw/zinc/42/20/20/1015422020.db2.gz DHOXENNRCFDTLZ-UHFFFAOYSA-N -1 0 315.344 3.523 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cc(Cl)ccc1F ZINC001599840824 988825646 /nfs/dbraw/zinc/82/56/46/988825646.db2.gz HIONZDJCWQPGKN-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM Cc1cc(C)cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013252624 1015425181 /nfs/dbraw/zinc/42/51/81/1015425181.db2.gz RSGYBTTYZGLWPE-IBGZPJMESA-N -1 0 311.381 3.675 20 0 DHADRM CCc1nc2ccccc2c(SCc2cc(C(=O)[O-])co2)n1 ZINC001597689576 988862459 /nfs/dbraw/zinc/86/24/59/988862459.db2.gz MWUNRBKTFPBNHO-UHFFFAOYSA-N -1 0 314.366 3.776 20 0 DHADRM CCc1nc(SCC(=O)c2ccc(C(=O)[O-])cc2)sc1C ZINC001597690606 988871770 /nfs/dbraw/zinc/87/17/70/988871770.db2.gz WXHGUTGHTXURPY-UHFFFAOYSA-N -1 0 321.423 3.687 20 0 DHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC001599845644 988927512 /nfs/dbraw/zinc/92/75/12/988927512.db2.gz NBGSRRDEGBPUBB-BBBLOLIVSA-N -1 0 314.740 3.584 20 0 DHADRM CCc1ncoc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001597710857 988967992 /nfs/dbraw/zinc/96/79/92/988967992.db2.gz PQQMDOWHBGXWKP-UHFFFAOYSA-N -1 0 322.386 3.547 20 0 DHADRM C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001599848579 988975961 /nfs/dbraw/zinc/97/59/61/988975961.db2.gz URRXWAQVFNCTPK-ZIAGYGMSSA-N -1 0 318.417 3.604 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)cc1F ZINC001597767418 989220594 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CC(C)(C)c1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)s1 ZINC001590475067 990048116 /nfs/dbraw/zinc/04/81/16/990048116.db2.gz FNJXYVOBHYEOTO-UHFFFAOYSA-N -1 0 323.458 3.811 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001590485159 990081966 /nfs/dbraw/zinc/08/19/66/990081966.db2.gz QMROVZSJWGHVFG-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001590485544 990085405 /nfs/dbraw/zinc/08/54/05/990085405.db2.gz ZOSMUXQPPXLZEV-UHFFFAOYSA-N -1 0 317.410 3.925 20 0 DHADRM CN(C(=O)/C(F)=C/C1CCCCC1)c1ccccc1C(=O)[O-] ZINC001597991440 990093955 /nfs/dbraw/zinc/09/39/55/990093955.db2.gz MKOKJNMENDEOOP-KAMYIIQDSA-N -1 0 305.349 3.781 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590506437 990123200 /nfs/dbraw/zinc/12/32/00/990123200.db2.gz XTQSZCPCXNUOOX-CMDGGOBGSA-N -1 0 313.353 3.927 20 0 DHADRM CC(C)(C)c1coc(COc2ccc(C(=O)[O-])cc2Cl)n1 ZINC001590527077 990139400 /nfs/dbraw/zinc/13/94/00/990139400.db2.gz QUFJGAYVTDBBEI-UHFFFAOYSA-N 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CC(C)=C(C)CC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001590912990 990893822 /nfs/dbraw/zinc/89/38/22/990893822.db2.gz UEQGBLMMQGBNRH-ORAYPTAESA-N -1 0 315.413 3.726 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001590914957 990900985 /nfs/dbraw/zinc/90/09/85/990900985.db2.gz MWQHCHGRHRPXPF-KFWWJZLASA-N -1 0 302.370 3.594 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001590922185 990917235 /nfs/dbraw/zinc/91/72/35/990917235.db2.gz TUEANRFRMLRASR-ZDUSSCGKSA-N -1 0 304.390 3.950 20 0 DHADRM COc1cccc(SC)c1NCc1cc(C(=O)[O-])oc1C ZINC001599683791 990953999 /nfs/dbraw/zinc/95/39/99/990953999.db2.gz ZAFBKUGPJKLBSD-UHFFFAOYSA-N -1 0 307.371 3.629 20 0 DHADRM COc1cccc([C@H](NC(=O)CCCCC(C)(C)C)C(=O)[O-])c1 ZINC001599685230 990976963 /nfs/dbraw/zinc/97/69/63/990976963.db2.gz GQJNMXLVMQHCQP-INIZCTEOSA-N -1 0 321.417 3.544 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001590956944 991034689 /nfs/dbraw/zinc/03/46/89/991034689.db2.gz 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991631184 /nfs/dbraw/zinc/63/11/84/991631184.db2.gz STHTWEHZVYAYTM-OAHLLOKOSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2N1Cc1cncc(C(=O)[O-])c1 ZINC001591094054 991667273 /nfs/dbraw/zinc/66/72/73/991667273.db2.gz FWJTYZQJPAYCTL-QGZVFWFLSA-N -1 0 310.397 3.757 20 0 DHADRM CC(C)[C@H]1CN(Cc2ncc(C(=O)[O-])s2)c2ccccc21 ZINC001591096541 991689084 /nfs/dbraw/zinc/68/90/84/991689084.db2.gz IRAFJNTUEWBXNR-GFCCVEGCSA-N -1 0 302.399 3.601 20 0 DHADRM CC(C)[C@H]1N(C(=O)CC2(CC(=O)[O-])CCCC2)CC12CC=CC2 ZINC001591099533 991711294 /nfs/dbraw/zinc/71/12/94/991711294.db2.gz MRUIUCSZBAFUAA-QGZVFWFLSA-N -1 0 319.445 3.615 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(F)c2C(=O)[O-])CC12CCC2 ZINC001591099839 991716008 /nfs/dbraw/zinc/71/60/08/991716008.db2.gz QQCJCIMKZRTSAU-AWEZNQCLSA-N -1 0 320.364 3.566 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001591132585 991830527 /nfs/dbraw/zinc/83/05/27/991830527.db2.gz AQMNERAFALEZRI-LLVKDONJSA-N -1 0 302.374 3.877 20 0 DHADRM 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CC(=O)c1cc(C(=O)Nc2c(C)ccc3cccnc32)ccc1O ZINC001148662908 1032432118 /nfs/dbraw/zinc/43/21/18/1032432118.db2.gz UKZGXHOFHPHQAX-UHFFFAOYSA-N -1 0 320.348 3.704 20 0 DHADRM O=S(=O)([O-])c1cccc(NCc2cccc3sccc32)c1 ZINC001171378990 1032548070 /nfs/dbraw/zinc/54/80/70/1032548070.db2.gz OWXXVRIYWZFZPB-UHFFFAOYSA-N -1 0 319.407 3.760 20 0 DHADRM Cc1cc([C@@H](C#N)C(=O)C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000049406984 1011896765 /nfs/dbraw/zinc/89/67/65/1011896765.db2.gz SWSZVKWHHSHZTD-IPLHWJFFSA-N -1 0 319.408 3.908 20 0 DHADRM CC(C)(C)c1nc(=N[C@@H]2CCO[C@@H](c3cccs3)C2)s[n-]1 ZINC000413355365 1011905586 /nfs/dbraw/zinc/90/55/86/1011905586.db2.gz SCUWLNKQFSOJSK-GHMZBOCLSA-N -1 0 323.487 3.651 20 0 DHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccsc1 ZINC000061362005 1011924100 /nfs/dbraw/zinc/92/41/00/1011924100.db2.gz OZMLLNFOTZAAOH-GFCCVEGCSA-N -1 0 309.431 3.741 20 0 DHADRM Nc1ccc(F)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211487870 1011938586 /nfs/dbraw/zinc/93/85/86/1011938586.db2.gz 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Cc1ccc(Nc2ccc3nc(C(C)(C)C)nn3c2)cc1C(=O)[O-] ZINC001211601550 1018727840 /nfs/dbraw/zinc/72/78/40/1018727840.db2.gz BDVCNJIMBVYXDH-UHFFFAOYSA-N -1 0 324.384 3.777 20 0 DHADRM Cc1cn(-c2ccc(Nc3ccc(C)c(C(=O)[O-])c3)cc2)cn1 ZINC001211601756 1018730472 /nfs/dbraw/zinc/73/04/72/1018730472.db2.gz JNMIWRYSRMKXQP-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM Cc1ccc(Nc2cc(OC(F)(F)F)ccn2)cc1C(=O)[O-] ZINC001211601750 1018731891 /nfs/dbraw/zinc/73/18/91/1018731891.db2.gz JBZWHVKXOVGEKV-UHFFFAOYSA-N -1 0 312.247 3.730 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3c(s2)CCCC3)CCCCC1 ZINC000386033215 1018812025 /nfs/dbraw/zinc/81/20/25/1018812025.db2.gz JSKIODDNQAMFQL-UHFFFAOYSA-N -1 0 321.442 3.534 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000386019571 1018814062 /nfs/dbraw/zinc/81/40/62/1018814062.db2.gz SDBHMZFCZFNUSH-QGZVFWFLSA-N -1 0 306.406 3.749 20 0 DHADRM O=C(CSc1ccc2ccccc2n1)[N-]OCc1ccccc1 ZINC000198380545 1018858689 /nfs/dbraw/zinc/85/86/89/1018858689.db2.gz 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CC[C@@H](C)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000621809492 1022892492 /nfs/dbraw/zinc/89/24/92/1022892492.db2.gz ZRHCARYTCMABQB-ZCFIWIBFSA-N -1 0 315.142 3.857 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(c2ccco2)CC1 ZINC000617384512 1022935405 /nfs/dbraw/zinc/93/54/05/1022935405.db2.gz FVYHAALSNRJUQU-UHFFFAOYSA-N -1 0 323.751 3.798 20 0 DHADRM Cc1ccc(F)c(CN(C)C(=O)c2cccc(Cl)c2[O-])c1 ZINC000768333317 1022948256 /nfs/dbraw/zinc/94/82/56/1022948256.db2.gz TVUKZIVXUGPCHY-UHFFFAOYSA-N -1 0 307.752 3.765 20 0 DHADRM Cc1cc(O)ccc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857474043 1023016606 /nfs/dbraw/zinc/01/66/06/1023016606.db2.gz PFHLLRRMFZAHIS-UHFFFAOYSA-N -1 0 311.259 3.677 20 0 DHADRM Nc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)ccc1F ZINC001212332178 1023022194 /nfs/dbraw/zinc/02/21/94/1023022194.db2.gz KOCWHHFEWSDEEL-UHFFFAOYSA-N -1 0 306.099 3.698 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(CC2CC2)C1 ZINC000622249606 1023084136 /nfs/dbraw/zinc/08/41/36/1023084136.db2.gz IXSJLBYOAIECMX-UHFFFAOYSA-N -1 0 300.185 3.571 20 0 DHADRM O=C([N-]OCCC(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000162678020 1023087506 /nfs/dbraw/zinc/08/75/06/1023087506.db2.gz JCBRFSWMCCBELM-UHFFFAOYSA-N -1 0 323.314 3.819 20 0 DHADRM O=C(/C=C/c1cncc(Br)c1)c1cc(F)ccc1[O-] ZINC000184758205 1023106666 /nfs/dbraw/zinc/10/66/66/1023106666.db2.gz QKKVXZUQAIPVKG-HNQUOIGGSA-N -1 0 322.133 3.585 20 0 DHADRM Cc1ccc(C(=O)/C=C/c2cncc(Br)c2)c([O-])c1 ZINC000184758325 1023107264 /nfs/dbraw/zinc/10/72/64/1023107264.db2.gz LCLPTMKUYJJKIJ-HWKANZROSA-N -1 0 318.170 3.754 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769244789 1023107975 /nfs/dbraw/zinc/10/79/75/1023107975.db2.gz QSIJEUXUPQTZMI-UHFFFAOYSA-N -1 0 310.444 3.834 20 0 DHADRM Cc1ccc([C@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000769247928 1023109335 /nfs/dbraw/zinc/10/93/35/1023109335.db2.gz QIXQRUXDDIWYKF-VIFPVBQESA-N -1 0 302.355 3.760 20 0 DHADRM COc1ccccc1C(C)(C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000622352743 1023124184 /nfs/dbraw/zinc/12/41/84/1023124184.db2.gz 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O=C(Nc1cc(F)cc(Cl)c1[O-])C(F)(F)c1ccccc1 ZINC000771514575 1023448459 /nfs/dbraw/zinc/44/84/59/1023448459.db2.gz VFKKBMGDVANDST-UHFFFAOYSA-N -1 0 315.678 3.915 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cnc1Cl ZINC000771603703 1023454730 /nfs/dbraw/zinc/45/47/30/1023454730.db2.gz DFXUUNBVZBKBBZ-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM CN(CC(=O)[N-]OCc1ccccc1)c1cccc2ccccc21 ZINC000772176382 1023520682 /nfs/dbraw/zinc/52/06/82/1023520682.db2.gz YLDWUQZWOGDUOH-UHFFFAOYSA-N -1 0 320.392 3.524 20 0 DHADRM Cc1cccc2c1CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C2 ZINC000772222159 1023528821 /nfs/dbraw/zinc/52/88/21/1023528821.db2.gz ARXSPAYUZWHQNZ-UHFFFAOYSA-N -1 0 319.763 3.692 20 0 DHADRM CCC(CC)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)SC ZINC000772310976 1023543496 /nfs/dbraw/zinc/54/34/96/1023543496.db2.gz IVAWSBSYHGQJBQ-UHFFFAOYSA-N -1 0 319.829 3.836 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000236735678 1023638491 /nfs/dbraw/zinc/63/84/91/1023638491.db2.gz QKFMWNULVYPGRQ-SFHVURJKSA-N -1 0 316.401 3.711 20 0 DHADRM COc1nc(SC)ncc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242853942 1023692716 /nfs/dbraw/zinc/69/27/16/1023692716.db2.gz JLQGKBYSHDYFJS-UHFFFAOYSA-N -1 0 317.197 3.887 20 0 DHADRM CCOc1cc(C)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000048382407 1023747097 /nfs/dbraw/zinc/74/70/97/1023747097.db2.gz OZUJNNRACACUBV-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM CCCCOc1ccc(C[N-]C(=O)C(F)(F)F)cc1Cl ZINC000787409828 1023793405 /nfs/dbraw/zinc/79/34/05/1023793405.db2.gz ABNVAKCPKFQPFO-UHFFFAOYSA-N -1 0 309.715 3.697 20 0 DHADRM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Cl ZINC000048652852 1023801111 /nfs/dbraw/zinc/80/11/11/1023801111.db2.gz YKCYVXHPQBCHGE-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)s1 ZINC000048653711 1023802949 /nfs/dbraw/zinc/80/29/49/1023802949.db2.gz WHACCKNLZLLTDQ-UHFFFAOYSA-N -1 0 313.469 3.833 20 0 DHADRM O=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000048655427 1023803021 /nfs/dbraw/zinc/80/30/21/1023803021.db2.gz BMLCQSFLMKIZME-UHFFFAOYSA-N -1 0 320.172 3.933 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000788319866 1023873639 /nfs/dbraw/zinc/87/36/39/1023873639.db2.gz AEOLSYXNJLNOJV-INIZCTEOSA-N -1 0 312.369 3.593 20 0 DHADRM CCCCCC[C@](C)(NC(=O)Nc1ccc(C)s1)C(=O)[O-] ZINC000788318056 1023873991 /nfs/dbraw/zinc/87/39/91/1023873991.db2.gz MCARPSDOOUBKIG-HNNXBMFYSA-N -1 0 312.435 3.992 20 0 DHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000788319983 1023874029 /nfs/dbraw/zinc/87/40/29/1023874029.db2.gz BKVZLQQICLPONW-UHFFFAOYSA-N -1 0 304.390 3.555 20 0 DHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000663230516 1023948145 /nfs/dbraw/zinc/94/81/45/1023948145.db2.gz ZQFIQDDFPQHNGX-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Cl ZINC000061835823 1024056884 /nfs/dbraw/zinc/05/68/84/1024056884.db2.gz OGLDDCTYJRCDSQ-JTQLQIEISA-N -1 0 313.781 3.567 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)/C=C\c1ccccc1Cl ZINC000212510557 1024096044 /nfs/dbraw/zinc/09/60/44/1024096044.db2.gz RYDFOAYBEUMPIJ-QXMHVHEDSA-N -1 0 323.820 3.895 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)ccc1C ZINC000212729541 1024114390 /nfs/dbraw/zinc/11/43/90/1024114390.db2.gz XPBGYQDKOLHWCF-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(F)c(F)c1 ZINC001126230030 1024138612 /nfs/dbraw/zinc/13/86/12/1024138612.db2.gz WSJRLGSPTAEOCJ-QMMMGPOBSA-N -1 0 311.715 3.815 20 0 DHADRM CCCC1(CNC(=O)c2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000186864810 1024154358 /nfs/dbraw/zinc/15/43/58/1024154358.db2.gz LBJGYZMAHXHSEA-UHFFFAOYSA-N -1 0 311.809 3.754 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NC/C=C/c1ccc(F)cc1F ZINC000789897146 1024187185 /nfs/dbraw/zinc/18/71/85/1024187185.db2.gz FPMUOSRJEDKOCW-NSCUHMNNSA-N -1 0 319.307 3.797 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCC1=Cc2ccccc2OC1 ZINC000789901620 1024188357 /nfs/dbraw/zinc/18/83/57/1024188357.db2.gz BQOHHBMTJSWDTF-UHFFFAOYSA-N -1 0 309.365 3.890 20 0 DHADRM CC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1cc(F)ccc1F ZINC000337867357 1033210164 /nfs/dbraw/zinc/21/01/64/1033210164.db2.gz LLTHPJLXWXIQHQ-PRHODGIISA-N -1 0 313.373 3.509 20 0 DHADRM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000791053021 1024434135 /nfs/dbraw/zinc/43/41/35/1024434135.db2.gz BCZSMSJUMXUHFP-UHFFFAOYSA-N -1 0 324.365 3.554 20 0 DHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1c(F)cccc1F ZINC000746985955 1024452210 /nfs/dbraw/zinc/45/22/10/1024452210.db2.gz MECSXSQLGAPKLA-ZETCQYMHSA-N -1 0 314.234 3.867 20 0 DHADRM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1c([O-])cccc1F ZINC000132303749 1024468985 /nfs/dbraw/zinc/46/89/85/1024468985.db2.gz OVACPZMXGJKAMV-UHFFFAOYSA-N -1 0 318.323 3.523 20 0 DHADRM Cc1sc(C=Cc2c[nH]c(-c3ccccc3)n2)nc1C(=O)[O-] ZINC000339115250 1024567989 /nfs/dbraw/zinc/56/79/89/1024567989.db2.gz VDTWPBOABQXXLJ-FPLPWBNLSA-N -1 0 311.366 3.710 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000322042059 1024578897 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CO[C@@H](C)c1nc(=N[C@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000337920836 1033230879 /nfs/dbraw/zinc/23/08/79/1033230879.db2.gz ZPLBQWKDTBNOIP-SMDDNHRTSA-N -1 0 303.431 3.621 20 0 DHADRM CC[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1ccccc1 ZINC000263076090 1024729439 /nfs/dbraw/zinc/72/94/39/1024729439.db2.gz UNACNWYJWQCQCY-KDOFPFPSSA-N -1 0 305.418 3.576 20 0 DHADRM COc1cc(NC(=O)C[C@@H]2CCC[C@H](C)C2)ccc1C(=O)[O-] ZINC000263081250 1024730287 /nfs/dbraw/zinc/73/02/87/1024730287.db2.gz ZETSQOVQPSHIGM-NWDGAFQWSA-N -1 0 305.374 3.548 20 0 DHADRM O=C(OCc1nc(C2CCCC2)no1)c1cc([S-])ccc1F ZINC000798724195 1024743066 /nfs/dbraw/zinc/74/30/66/1024743066.db2.gz IYDDTLXPMPILHB-UHFFFAOYSA-N -1 0 322.361 3.512 20 0 DHADRM Cc1cccc(CC(=O)Nc2ccc(Br)cc2O)c1 ZINC000102635673 1024772560 /nfs/dbraw/zinc/77/25/60/1024772560.db2.gz QNRLBSXKZWBJKZ-UHFFFAOYSA-N -1 0 320.186 3.644 20 0 DHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccsc1 ZINC000349971770 1024775679 /nfs/dbraw/zinc/77/56/79/1024775679.db2.gz 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O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc2cc[nH]c21 ZINC000805255386 1025564626 /nfs/dbraw/zinc/56/46/26/1025564626.db2.gz PSPAAKYLILVFOX-UHFFFAOYSA-N -1 0 304.708 3.918 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC=C(c2ccccc2F)C1 ZINC000359996999 1025735891 /nfs/dbraw/zinc/73/58/91/1025735891.db2.gz IHCUCGFWDYMKPW-UHFFFAOYSA-N -1 0 317.747 3.724 20 0 DHADRM O=C(CCc1cscn1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000355660263 1025800352 /nfs/dbraw/zinc/80/03/52/1025800352.db2.gz AOFANNWYCYEFTM-UHFFFAOYSA-N -1 0 317.197 3.727 20 0 DHADRM O=C([O-])c1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1F ZINC000514265711 1025820635 /nfs/dbraw/zinc/82/06/35/1025820635.db2.gz HDRZXUVLYGCBMW-UHFFFAOYSA-N -1 0 306.161 3.886 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCOc2c(F)cccc21 ZINC001137932952 1025850944 /nfs/dbraw/zinc/85/09/44/1025850944.db2.gz PIRCMUUPAMHIDY-JTQLQIEISA-N -1 0 321.735 3.690 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2cccnc2OC(F)F)c1 ZINC001211962401 1025852171 /nfs/dbraw/zinc/85/21/71/1025852171.db2.gz BVUFARXURCADEM-UHFFFAOYSA-N -1 0 314.675 3.778 20 0 DHADRM Nc1cn(-c2cc(Cl)cc(C(=O)[O-])c2)c2nccc-2c1Cl ZINC001211962361 1025854497 /nfs/dbraw/zinc/85/44/97/1025854497.db2.gz AEFRFKNMYUUGFV-UHFFFAOYSA-N -1 0 322.151 3.564 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000061834401 1025870130 /nfs/dbraw/zinc/87/01/30/1025870130.db2.gz BNOOSWCHDBMODH-ZETCQYMHSA-N -1 0 323.698 3.798 20 0 DHADRM Cn1ncc2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c21 ZINC001211964782 1025873286 /nfs/dbraw/zinc/87/32/86/1025873286.db2.gz BFVPZRSXVKEQSU-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM Cn1ncc2c1cccc2Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211964907 1025873508 /nfs/dbraw/zinc/87/35/08/1025873508.db2.gz FBWLKTLPVIRHRT-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(-n3cccn3)cc2)c1 ZINC001211964943 1025875277 /nfs/dbraw/zinc/87/52/77/1025875277.db2.gz FYAKLAARLOHNRW-UHFFFAOYSA-N -1 0 313.744 3.968 20 0 DHADRM Cc1cc2cc(N)ccc2n1-c1cc(Cl)cc(C(=O)[O-])c1 ZINC001211965139 1025877965 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ZINC001211969351 1025932014 /nfs/dbraw/zinc/93/20/14/1025932014.db2.gz FDGPZIGJDMOBQY-UHFFFAOYSA-N -1 0 322.151 3.613 20 0 DHADRM Cc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cnc1Cl ZINC000760265500 1025944010 /nfs/dbraw/zinc/94/40/10/1025944010.db2.gz OYYCVOSLRVYDHE-SNAWJCMRSA-N -1 0 317.776 3.825 20 0 DHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(F)cc1F ZINC000195452049 1026002889 /nfs/dbraw/zinc/00/28/89/1026002889.db2.gz AVZILEANAXPLQK-UHFFFAOYSA-N -1 0 319.279 3.703 20 0 DHADRM O=C([O-])c1cccnc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000614259663 1026003195 /nfs/dbraw/zinc/00/31/95/1026003195.db2.gz ZMHFZRIVMXFGLY-AWEZNQCLSA-N -1 0 302.761 3.996 20 0 DHADRM CN1C(=O)CCc2cc(NCc3cccc(O)c3Cl)ccc21 ZINC000645166744 1026041677 /nfs/dbraw/zinc/04/16/77/1026041677.db2.gz PWCJKNNBYCZCLX-UHFFFAOYSA-N -1 0 316.788 3.567 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1csc(Cl)n1 ZINC000807775808 1026115250 /nfs/dbraw/zinc/11/52/50/1026115250.db2.gz PODCXVIFUJBATK-UHFFFAOYSA-N -1 0 307.133 3.547 20 0 DHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000807899308 1026140135 /nfs/dbraw/zinc/14/01/35/1026140135.db2.gz QWQDZGGWOLJCOP-JTQLQIEISA-N -1 0 310.275 3.613 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000237086938 1026403982 /nfs/dbraw/zinc/40/39/82/1026403982.db2.gz IGTKERLRKXKBJB-UHFFFAOYSA-N -1 0 311.381 3.959 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262095648 1026476852 /nfs/dbraw/zinc/47/68/52/1026476852.db2.gz DAODPYUCXBOPIU-SFHVURJKSA-N -1 0 323.392 3.599 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262097030 1026477283 /nfs/dbraw/zinc/47/72/83/1026477283.db2.gz LTEXORMWWWSIQE-STQMWFEESA-N -1 0 307.415 3.627 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)cc1Cl ZINC000262949252 1026532152 /nfs/dbraw/zinc/53/21/52/1026532152.db2.gz LENWWDFSBREZFA-AWEZNQCLSA-N -1 0 318.200 3.613 20 0 DHADRM CCC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)CCCCC1 ZINC000263200451 1026540859 /nfs/dbraw/zinc/54/08/59/1026540859.db2.gz 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CC(C)C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533196359 1030183528 /nfs/dbraw/zinc/18/35/28/1030183528.db2.gz ZPBYPLDNJRHHQZ-DOTOQJQBSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1cnc([C@@H](C)CN=c2nc(C3CCCC3)[n-]s2)s1 ZINC000557632600 1030225851 /nfs/dbraw/zinc/22/58/51/1030225851.db2.gz CWPIORNNCPLEQC-VIFPVBQESA-N -1 0 308.476 3.598 20 0 DHADRM CSc1ccncc1[N-]C(=S)NCCCCC(F)(F)F ZINC000794981133 1030514284 /nfs/dbraw/zinc/51/42/84/1030514284.db2.gz HATDDRBTRNMCFQ-UHFFFAOYSA-N -1 0 323.409 3.823 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]1C(F)F ZINC000868604510 1030610500 /nfs/dbraw/zinc/61/05/00/1030610500.db2.gz UIWCRKOPFMHTQK-LBPRGKRZSA-N -1 0 311.715 3.678 20 0 DHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Cl)c([O-])c1 ZINC001136938940 1030630677 /nfs/dbraw/zinc/63/06/77/1030630677.db2.gz LKIWZOFSOANUML-JTQLQIEISA-N -1 0 319.763 3.944 20 0 DHADRM CCSc1cccc(F)c1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000291772047 1030636780 /nfs/dbraw/zinc/63/67/80/1030636780.db2.gz SZROPMGYCPYURH-UHFFFAOYSA-N -1 0 322.409 3.537 20 0 DHADRM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ncc2ccccc2c1[O-] ZINC001136941222 1030651657 /nfs/dbraw/zinc/65/16/57/1030651657.db2.gz KZLWAISEKDECSE-UHFFFAOYSA-N -1 0 322.368 3.573 20 0 DHADRM CCc1oc(C(=O)NCc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000339085481 1030681771 /nfs/dbraw/zinc/68/17/71/1030681771.db2.gz LTCIWFMHTHRNSU-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000358942681 1030688094 /nfs/dbraw/zinc/68/80/94/1030688094.db2.gz UHLYTPCPYHYTFG-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CCC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000825027483 1030702399 /nfs/dbraw/zinc/70/23/99/1030702399.db2.gz YOORNNYIBMOBNL-LSDHHAIUSA-N -1 0 311.809 3.798 20 0 DHADRM CCc1ncc(S(=O)(=O)[N-]c2cccc3ccccc32)s1 ZINC000359110283 1030782144 /nfs/dbraw/zinc/78/21/44/1030782144.db2.gz YERQFFIIZOGFRA-UHFFFAOYSA-N -1 0 318.423 3.660 20 0 DHADRM CC[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)C1CCC(C)CC1 ZINC000359285397 1030882764 /nfs/dbraw/zinc/88/27/64/1030882764.db2.gz VUCDHENXQSIFKM-RTBKNWGFSA-N -1 0 318.343 3.615 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1coc2ccc(F)cc12 ZINC000844154660 1030968599 /nfs/dbraw/zinc/96/85/99/1030968599.db2.gz FOPZQANHDDJKPG-UHFFFAOYSA-N -1 0 321.348 3.727 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000261635512 1031043488 /nfs/dbraw/zinc/04/34/88/1031043488.db2.gz KDQJCHLXQOBBBC-CQSZACIVSA-N -1 0 319.401 3.725 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000261734612 1031056220 /nfs/dbraw/zinc/05/62/20/1031056220.db2.gz YRBMMNMFBXWPBO-CQSZACIVSA-N -1 0 313.353 3.518 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262768574 1031142024 /nfs/dbraw/zinc/14/20/24/1031142024.db2.gz GTPVMYABJAQQPF-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM CC1(C)C[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263039558 1031164238 /nfs/dbraw/zinc/16/42/38/1031164238.db2.gz VQEWOCVIYMURPG-CYBMUJFWSA-N -1 0 323.392 3.828 20 0 DHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000263118823 1031166022 /nfs/dbraw/zinc/16/60/22/1031166022.db2.gz SBWOLLBNMPTYLP-GUYCJALGSA-N -1 0 315.413 3.670 20 0 DHADRM C[C@@H](CCC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263227668 1031175127 /nfs/dbraw/zinc/17/51/27/1031175127.db2.gz QDTDLYUIFZRNPF-LBPRGKRZSA-N -1 0 317.410 3.646 20 0 DHADRM C/C=C/C[C@@H](NC(=O)c1oc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000263308337 1031181807 /nfs/dbraw/zinc/18/18/07/1031181807.db2.gz WKAHAMIVQCIDRZ-AAOUONPWSA-N -1 0 321.760 3.544 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000263349462 1031184862 /nfs/dbraw/zinc/18/48/62/1031184862.db2.gz VCNJQPSLIPEFIV-BBWFWOEESA-N -1 0 315.413 3.631 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Oc2ccccc2)o1 ZINC000263383609 1031188536 /nfs/dbraw/zinc/18/85/36/1031188536.db2.gz CKASTVZJDQAXFB-HNNXBMFYSA-N -1 0 301.342 3.511 20 0 DHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CC/C=C/c1ccccc1 ZINC000263396813 1031189491 /nfs/dbraw/zinc/18/94/91/1031189491.db2.gz DOVFGAVHXIPCNJ-QZKWLWDQSA-N -1 0 315.413 3.630 20 0 DHADRM Cc1ccc([C@@H](N=c2nc(C3CC3)[n-]s2)c2ccccn2)cc1 ZINC000359909616 1031192351 /nfs/dbraw/zinc/19/23/51/1031192351.db2.gz YLHWOAAPRYTCFS-MRXNPFEDSA-N -1 0 322.437 3.742 20 0 DHADRM CCO[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(C)C ZINC000626318075 1031193885 /nfs/dbraw/zinc/19/38/85/1031193885.db2.gz BOGKSHBXKFXQDD-GFCCVEGCSA-N -1 0 306.189 3.699 20 0 DHADRM Cc1ccc2c(C(=O)NC3(CC(=O)[O-])CCCC3)csc2c1 ZINC000263517086 1031201917 /nfs/dbraw/zinc/20/19/17/1031201917.db2.gz FFJDZEZECJSOKT-UHFFFAOYSA-N -1 0 317.410 3.727 20 0 DHADRM CCO[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000626329630 1031211910 /nfs/dbraw/zinc/21/19/10/1031211910.db2.gz OYIVQXUXOHRNJQ-LBPRGKRZSA-N -1 0 306.189 3.699 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CC2CCC(F)(F)CC2)c1 ZINC000626374967 1031351683 /nfs/dbraw/zinc/35/16/83/1031351683.db2.gz VTQOQUPCSDIOMF-UHFFFAOYSA-N -1 0 311.328 3.749 20 0 DHADRM Cc1cccc(Cc2cc(=O)n(C[C@@H]3CCCC3(F)F)[n-]2)c1 ZINC000871964385 1031388840 /nfs/dbraw/zinc/38/88/40/1031388840.db2.gz XLLQOCRNONTYER-AWEZNQCLSA-N -1 0 306.356 3.561 20 0 DHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@@H]1c1cccs1 ZINC000929371671 1031506992 /nfs/dbraw/zinc/50/69/92/1031506992.db2.gz GZRYLJZXXGOQJR-GFCCVEGCSA-N -1 0 309.337 3.709 20 0 DHADRM O=C(c1cc(F)cc(F)c1[O-])N(Cc1cccs1)C1CC1 ZINC000929904443 1031642278 /nfs/dbraw/zinc/64/22/78/1031642278.db2.gz AMNXQRLRMGEOEV-UHFFFAOYSA-N -1 0 309.337 3.537 20 0 DHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000872828605 1031666755 /nfs/dbraw/zinc/66/67/55/1031666755.db2.gz BELPSDSWRHFFQI-UHFFFAOYSA-N -1 0 322.213 3.528 20 0 DHADRM C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(O)c(Cl)c1 ZINC000872847401 1031669351 /nfs/dbraw/zinc/66/93/51/1031669351.db2.gz WYMVGHIDAWPXMT-JTQLQIEISA-N -1 0 324.833 3.538 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872831551 1031670142 /nfs/dbraw/zinc/67/01/42/1031670142.db2.gz MLYWGYQKKLMPDL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/72/54/19/1031725419.db2.gz SIYDPGAVKYXSGP-PGHLRGPGSA-N -1 0 309.356 3.615 20 0 DHADRM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc(Cl)c([O-])cc1F ZINC000897759045 1031817092 /nfs/dbraw/zinc/81/70/92/1031817092.db2.gz UGTLFOQTDGXOKR-SECBINFHSA-N -1 0 313.756 3.615 20 0 DHADRM CN(Cc1sccc1C(=O)[O-])[C@H](C1CCC1)C(F)(F)F ZINC001144677068 1031820240 /nfs/dbraw/zinc/82/02/40/1031820240.db2.gz ABUWSIOVZVQRPK-LLVKDONJSA-N -1 0 307.337 3.609 20 0 DHADRM CCc1ccc(NC(=O)c2cc(F)cc3n[nH]nc32)cc1Cl ZINC000561326129 1031825248 /nfs/dbraw/zinc/82/52/48/1031825248.db2.gz QSJPNYUACAAYRQ-UHFFFAOYSA-N -1 0 318.739 3.565 20 0 DHADRM C/C(=C/C[N@H+]1CC=C(c2cccc3ccccc32)CC1)C(=O)[O-] ZINC000846244409 1031940415 /nfs/dbraw/zinc/94/04/15/1031940415.db2.gz VREHRJGOJZQIOP-DHDCSXOGSA-N -1 0 307.393 3.960 20 0 DHADRM CC1(c2nccc(NC(=O)Nc3ccc(O)c(Cl)c3)n2)CC1 ZINC000888039699 1033477866 /nfs/dbraw/zinc/47/78/66/1033477866.db2.gz SRZRVWSQZKYLGP-UHFFFAOYSA-N -1 0 318.764 3.531 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000013403893 1033510997 /nfs/dbraw/zinc/51/09/97/1033510997.db2.gz GCFZRUIWOGKUJV-IZZDOVSWSA-N -1 0 307.349 3.525 20 0 DHADRM CC(C)c1noc(=NCc2ccc(-c3cccc(F)c3F)o2)[n-]1 ZINC000478588862 1033514983 /nfs/dbraw/zinc/51/49/83/1033514983.db2.gz SYTMGFGEJMZQNW-UHFFFAOYSA-N -1 0 319.311 3.765 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCc1ccccc1Cl ZINC000013432050 1033518902 /nfs/dbraw/zinc/51/89/02/1033518902.db2.gz CELWVCIYBDBMEG-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000013432403 1033521257 /nfs/dbraw/zinc/52/12/57/1033521257.db2.gz NVJIUMBXAWZQCW-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM Cc1cc(F)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118765452 1033775577 /nfs/dbraw/zinc/77/55/77/1033775577.db2.gz ONIWKYHVJIALAK-UHFFFAOYSA-N -1 0 302.330 3.816 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c1 ZINC000479535208 1033798453 /nfs/dbraw/zinc/79/84/53/1033798453.db2.gz 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CC(C)Cn1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cn1 ZINC000486102315 1036117458 /nfs/dbraw/zinc/11/74/58/1036117458.db2.gz JAGCFYJAKIYJII-UTCJRWHESA-N -1 0 311.341 3.549 20 0 DHADRM CCCC(CCC)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000540670892 1036125721 /nfs/dbraw/zinc/12/57/21/1036125721.db2.gz QCIQGPUFMBKSHI-UHFFFAOYSA-N -1 0 316.401 3.881 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000540714970 1036138221 /nfs/dbraw/zinc/13/82/21/1036138221.db2.gz NGCURHVBLRCCRD-CYBMUJFWSA-N -1 0 323.458 3.625 20 0 DHADRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)on1 ZINC001195115959 1036139703 /nfs/dbraw/zinc/13/97/03/1036139703.db2.gz JBTBOWNPTZCUJV-UHFFFAOYSA-N -1 0 308.403 3.722 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC001195121000 1036142389 /nfs/dbraw/zinc/14/23/89/1036142389.db2.gz SPPARZNKKOXNFK-UHFFFAOYSA-N -1 0 316.426 3.883 20 0 DHADRM CC[C@@H](C)OC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001195123689 1036145599 /nfs/dbraw/zinc/14/55/99/1036145599.db2.gz 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XQVZROYSZVIZAB-OAHLLOKOSA-N -1 0 319.426 3.675 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000019814494 182153372 /nfs/dbraw/zinc/15/33/72/182153372.db2.gz VZZATROAGCWWOT-CQSZACIVSA-N -1 0 311.381 3.836 20 0 DHADRM O=C([O-])CCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000020311908 182205914 /nfs/dbraw/zinc/20/59/14/182205914.db2.gz OKIAJNNDDWLGPA-UHFFFAOYSA-N -1 0 313.382 3.635 20 0 DHADRM CC(C)=CCSC[C@@H](NCc1sccc1Cl)C(=O)[O-] ZINC000417628685 335020894 /nfs/dbraw/zinc/02/08/94/335020894.db2.gz RHZYPMLYYKAVCW-LLVKDONJSA-N -1 0 319.879 3.644 20 0 DHADRM Cc1cc(C(=O)[O-])c(NC(=O)CCCOc2ccccc2)s1 ZINC000020332994 182209299 /nfs/dbraw/zinc/20/92/99/182209299.db2.gz GZDWYZUZDLKHFE-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1c(Cl)cccc1Cl ZINC000020562230 182232211 /nfs/dbraw/zinc/23/22/11/182232211.db2.gz SAOFOFIBVWHTOQ-UHFFFAOYSA-N -1 0 318.200 3.758 20 0 DHADRM Cc1cc(CNCc2csc(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC000417644402 335024352 /nfs/dbraw/zinc/02/43/52/335024352.db2.gz AQXNYLMJNCCLGX-UHFFFAOYSA-N -1 0 318.442 3.737 20 0 DHADRM Cc1ncsc1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000417645945 335029052 /nfs/dbraw/zinc/02/90/52/335029052.db2.gz DPEOBXYOINFYNP-SNVBAGLBSA-N -1 0 308.428 3.629 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000192861838 335036990 /nfs/dbraw/zinc/03/69/90/335036990.db2.gz HCUQVYBHCMVWOK-SFHVURJKSA-N -1 0 323.392 3.511 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000192918308 335037669 /nfs/dbraw/zinc/03/76/69/335037669.db2.gz QVWXVCHZRWDLEH-ZDUSSCGKSA-N -1 0 305.418 3.961 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000192985854 335040163 /nfs/dbraw/zinc/04/01/63/335040163.db2.gz YJDIJGIGVYVMEN-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183763283 335045309 /nfs/dbraw/zinc/04/53/09/335045309.db2.gz NJSJPXGGTUEMEC-UHFFFAOYSA-N -1 0 321.760 3.682 20 0 DHADRM COC(=O)c1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000065354548 184326960 /nfs/dbraw/zinc/32/69/60/184326960.db2.gz JNRHYCFYMLBJGZ-UHFFFAOYSA-N -1 0 308.692 3.631 20 0 DHADRM CCOC(=O)c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000065354463 184327062 /nfs/dbraw/zinc/32/70/62/184327062.db2.gz KBUSDXYZYWNRDC-UHFFFAOYSA-N -1 0 304.729 3.882 20 0 DHADRM COc1c(C(=O)[O-])cccc1-c1ccc(OC(F)(F)F)cc1 ZINC000065354808 184327502 /nfs/dbraw/zinc/32/75/02/184327502.db2.gz CKCUKXFEXCVQMB-UHFFFAOYSA-N -1 0 312.243 3.959 20 0 DHADRM C[C@@H](CC(=O)NCCCCCCCC(=O)[O-])c1ccccc1F ZINC000271968909 129985699 /nfs/dbraw/zinc/98/56/99/129985699.db2.gz PXTUHWFZNSMVFJ-AWEZNQCLSA-N -1 0 323.408 3.861 20 0 DHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2[O-])CCO1 ZINC000272757270 130061005 /nfs/dbraw/zinc/06/10/05/130061005.db2.gz FLXIAKJYISQUNB-SMDDNHRTSA-N -1 0 311.809 3.825 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000273396931 130117795 /nfs/dbraw/zinc/11/77/95/130117795.db2.gz PYDHZNPIAXUHGK-KCJUWKMLSA-N -1 0 301.308 3.508 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274664470 130253930 /nfs/dbraw/zinc/25/39/30/130253930.db2.gz HAWNVJNDCFGOJS-VIFPVBQESA-N -1 0 315.772 3.909 20 0 DHADRM C[C@H](Sc1ccc(NC(=O)N(C)C2CCCC2)cc1)C(=O)[O-] ZINC000284990164 131129062 /nfs/dbraw/zinc/12/90/62/131129062.db2.gz GJBAOJQJOMLQFP-NSHDSACASA-N -1 0 322.430 3.658 20 0 DHADRM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1s[n-]c(=O)c1Cl ZINC000286572496 131241357 /nfs/dbraw/zinc/24/13/57/131241357.db2.gz MAZDCMPXFPWLOB-WDEREUQCSA-N -1 0 322.817 3.568 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2cnc(-c3ccco3)s2)s1 ZINC000340595581 132050827 /nfs/dbraw/zinc/05/08/27/132050827.db2.gz RFGZEXIHKOVYNK-ARJAWSKDSA-N -1 0 304.352 3.728 20 0 DHADRM CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2sccc2[n-]1 ZINC000299407959 132103865 /nfs/dbraw/zinc/10/38/65/132103865.db2.gz SRRNJKQVVXGAAG-PWSUYJOCSA-N -1 0 323.487 3.551 20 0 DHADRM Cc1ccc(NCc2cnc(CC(C)C)s2)cc1C(=O)[O-] ZINC000340671140 132140329 /nfs/dbraw/zinc/14/03/29/132140329.db2.gz JKAQNXULAYVPII-UHFFFAOYSA-N -1 0 304.415 3.960 20 0 DHADRM Cc1ccc(NCc2c[nH]c(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000340680080 132143801 /nfs/dbraw/zinc/14/38/01/132143801.db2.gz YBTMCOOVXBQMPK-UHFFFAOYSA-N -1 0 307.353 3.695 20 0 DHADRM COc1ccc2nc(CNc3cccc(C(=O)[O-])c3)sc2c1 ZINC000340678936 132145459 /nfs/dbraw/zinc/14/54/59/132145459.db2.gz NGBXAHHAIAIMMW-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM O=C([O-])c1cccc(CCNC(=O)CCCC2CCCCC2)c1 ZINC000320526024 335074892 /nfs/dbraw/zinc/07/48/92/335074892.db2.gz DBEPDOHZCYKIJD-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CCC(C)C)cc1 ZINC000520141679 335083263 /nfs/dbraw/zinc/08/32/63/335083263.db2.gz NPPNUTHXQQNLBQ-UHFFFAOYSA-N -1 0 322.430 3.681 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000320576386 335085946 /nfs/dbraw/zinc/08/59/46/335085946.db2.gz RPYGSLSDJBHMMI-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)c2c([O-])cc(F)cc2F)n[nH]1 ZINC000608441543 430561760 /nfs/dbraw/zinc/56/17/60/430561760.db2.gz PTPCIUALWMUPDD-MRVPVSSYSA-N -1 0 309.316 3.549 20 0 DHADRM CCCN(C(=O)Nc1ccc(Cl)c(F)c1)[C@H](CC)C(=O)[O-] ZINC000570660233 332793936 /nfs/dbraw/zinc/79/39/36/332793936.db2.gz NBYJJRAADXIRLA-GFCCVEGCSA-N -1 0 316.760 3.586 20 0 DHADRM Cc1ccc(C)c(-c2ccc([S@](=O)CCCC(=O)[O-])cc2)c1 ZINC000570698925 332802937 /nfs/dbraw/zinc/80/29/37/332802937.db2.gz LMQCXBSJPXQMFD-JOCHJYFZSA-N -1 0 316.422 3.943 20 0 DHADRM O=C([O-])[C@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)c2ccccc21 ZINC000322627103 332832847 /nfs/dbraw/zinc/83/28/47/332832847.db2.gz PRMQMPNNLVBVQA-HOCLYGCPSA-N -1 0 315.413 3.557 20 0 DHADRM CC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000584004970 331560488 /nfs/dbraw/zinc/56/04/88/331560488.db2.gz CRZHGHIFQHQXPY-GOSISDBHSA-N -1 0 311.381 3.622 20 0 DHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(CC)ccc2O)cc1 ZINC000317299283 331677929 /nfs/dbraw/zinc/67/79/29/331677929.db2.gz XDJJVJSEVZVPPV-UHFFFAOYSA-N -1 0 319.426 3.708 20 0 DHADRM CSCCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000153231946 331724997 /nfs/dbraw/zinc/72/49/97/331724997.db2.gz HTNFUZBEVSMPCZ-UHFFFAOYSA-N -1 0 309.818 3.634 20 0 DHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000176219765 332928030 /nfs/dbraw/zinc/92/80/30/332928030.db2.gz HIJSIVANEWQKLD-JSGCOSHPSA-N -1 0 313.850 3.840 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000261969993 331731887 /nfs/dbraw/zinc/73/18/87/331731887.db2.gz YUSLMSIXQYOKOK-UHFFFAOYSA-N -1 0 311.381 3.998 20 0 DHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000261975574 331739975 /nfs/dbraw/zinc/73/99/75/331739975.db2.gz BSMBADLIYAECFI-CABCVRRESA-N -1 0 319.426 3.771 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000087844410 331774131 /nfs/dbraw/zinc/77/41/31/331774131.db2.gz TUJLFPUJNDXUKW-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(C(C)C)cc1)C1CC1 ZINC000557658616 331806426 /nfs/dbraw/zinc/80/64/26/331806426.db2.gz IMEQAFPRWBQAAS-OAHLLOKOSA-N -1 0 304.390 3.670 20 0 DHADRM Cc1cc(-c2cccc(C)c2C(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000584183397 331859416 /nfs/dbraw/zinc/85/94/16/331859416.db2.gz HLDKWEIYJSDLBX-OAHLLOKOSA-N -1 0 312.365 3.836 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000517819663 331971938 /nfs/dbraw/zinc/97/19/38/331971938.db2.gz PRLLIJVPSUBJGY-HOTGVXAUSA-N -1 0 317.429 3.720 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCC1 ZINC000518379500 332022223 /nfs/dbraw/zinc/02/22/23/332022223.db2.gz KLDZJUFDGMEFTN-GFCCVEGCSA-N -1 0 315.369 3.563 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)s1 ZINC000559341680 332030802 /nfs/dbraw/zinc/03/08/02/332030802.db2.gz JFXQQGZRALLJHT-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM CC(C)Cn1ccc2cc(NC(=O)CC(C)(C)C(=O)[O-])ccc21 ZINC000569405868 332076924 /nfs/dbraw/zinc/07/69/24/332076924.db2.gz YTYKVWFELQRANH-UHFFFAOYSA-N -1 0 316.401 3.737 20 0 DHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@H]1CC1(C)C ZINC000569462653 332094039 /nfs/dbraw/zinc/09/40/39/332094039.db2.gz GDNUFRCVZKGARV-AWEZNQCLSA-N -1 0 316.426 3.739 20 0 DHADRM O=S(=O)([N-]c1ccc2ccc(Cl)cc2n1)c1cccs1 ZINC000410342537 332113272 /nfs/dbraw/zinc/11/32/72/332113272.db2.gz LAXJKSJMNRZPEI-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000521273327 332130280 /nfs/dbraw/zinc/13/02/80/332130280.db2.gz OHHAKMHJKRFUBG-ZBFHGGJFSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)c1cccs1 ZINC000426787112 332153128 /nfs/dbraw/zinc/15/31/28/332153128.db2.gz AXYRWSYBCINVGV-GFCCVEGCSA-N -1 0 316.209 3.970 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(O)cc1 ZINC000426791734 332154240 /nfs/dbraw/zinc/15/42/40/332154240.db2.gz GLQCBRCGNXJXCQ-GOSISDBHSA-N -1 0 323.348 3.568 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000426797538 332154811 /nfs/dbraw/zinc/15/48/11/332154811.db2.gz BKSAGHGUTQTQNA-MRXNPFEDSA-N -1 0 313.378 3.924 20 0 DHADRM FC(F)(F)[C@@H]1CCCC[C@@H]1CN=c1nc(C2CC2)[n-]s1 ZINC000426898803 332160589 /nfs/dbraw/zinc/16/05/89/332160589.db2.gz XAONJSHIGIPFQA-NXEZZACHSA-N -1 0 305.369 3.618 20 0 DHADRM CSC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000426912955 332161529 /nfs/dbraw/zinc/16/15/29/332161529.db2.gz ZVSLSDVDFDLZJL-UHFFFAOYSA-N -1 0 306.214 3.923 20 0 DHADRM CCCOCc1ccccc1CN=c1nc(C(C)C)[n-]s1 ZINC000531071838 332246308 /nfs/dbraw/zinc/24/63/08/332246308.db2.gz XLMRURHLEYOGEN-UHFFFAOYSA-N -1 0 305.447 3.622 20 0 DHADRM O=C(c1ccc(Br)cc1O)N(C1CC1)C1CCCC1 ZINC000094106989 332265808 /nfs/dbraw/zinc/26/58/08/332265808.db2.gz YVHGFNUNNYABSS-UHFFFAOYSA-N -1 0 324.218 3.702 20 0 DHADRM CCCN(C(=O)Nc1ccc2[nH]c(C)cc2c1)[C@H](CC)C(=O)[O-] ZINC000559584179 332272731 /nfs/dbraw/zinc/27/27/31/332272731.db2.gz ACQWIWZDOKFRBQ-OAHLLOKOSA-N -1 0 317.389 3.583 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c(C(C)C)c1 ZINC000262156539 332387864 /nfs/dbraw/zinc/38/78/64/332387864.db2.gz PMTOGKDHFUXYOI-KBPBESRZSA-N -1 0 303.402 3.983 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1Cc2ccccc2S1 ZINC000561677491 332478633 /nfs/dbraw/zinc/47/86/33/332478633.db2.gz QMKDZWDZKGRNBI-CQSZACIVSA-N -1 0 323.776 3.840 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000427679041 332485121 /nfs/dbraw/zinc/48/51/21/332485121.db2.gz OPYQNVMOASQDPV-LBPRGKRZSA-N -1 0 323.820 3.521 20 0 DHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1cccc2ccccc21 ZINC000088330239 332501795 /nfs/dbraw/zinc/50/17/95/332501795.db2.gz FFIDANJKRYYPRU-UHFFFAOYSA-N -1 0 318.785 3.689 20 0 DHADRM CC(C)CN(C(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000427760086 332508800 /nfs/dbraw/zinc/50/88/00/332508800.db2.gz CLSPTYZVPUZVAR-UHFFFAOYSA-N -1 0 304.777 3.743 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000562622103 332609795 /nfs/dbraw/zinc/60/97/95/332609795.db2.gz UGGQMGVDGGVJHH-DSLFPGPSSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000562622104 332609871 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324.218 3.775 20 0 DHADRM CC(C)[N@H+](CCc1nccs1)Cc1cccc(O)c1Cl ZINC000351683973 336058040 /nfs/dbraw/zinc/05/80/40/336058040.db2.gz CSHRRXNPXYBSQY-UHFFFAOYSA-N -1 0 310.850 3.955 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(O)c1 ZINC000332113796 336159139 /nfs/dbraw/zinc/15/91/39/336159139.db2.gz ANJFGLMCOFAPGO-QGZVFWFLSA-N -1 0 311.381 3.632 20 0 DHADRM COc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)c(C)c1OC ZINC000352026981 336190252 /nfs/dbraw/zinc/19/02/52/336190252.db2.gz MGRIQTBKMBLPPG-VURMDHGXSA-N -1 0 319.382 3.646 20 0 DHADRM Cc1sc(/C=C/c2coc(-c3ccccc3)n2)nc1C(=O)[O-] ZINC000352034567 336190668 /nfs/dbraw/zinc/19/06/68/336190668.db2.gz DQWAFTKUQDOGMQ-BQYQJAHWSA-N -1 0 312.350 3.975 20 0 DHADRM CC(C)n1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cn1 ZINC000352145330 336196714 /nfs/dbraw/zinc/19/67/14/336196714.db2.gz LKDQLRFTZFKTLZ-NTUHNPAUSA-N -1 0 311.341 3.621 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1C ZINC000352409555 336217669 /nfs/dbraw/zinc/21/76/69/336217669.db2.gz LCUBRCBKRYKBDK-OAHLLOKOSA-N -1 0 313.353 3.572 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000532612598 336257728 /nfs/dbraw/zinc/25/77/28/336257728.db2.gz QBDOPFKSGJDCJW-AWEZNQCLSA-N -1 0 317.429 3.675 20 0 DHADRM CO[C@H](CN1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000379296513 336263704 /nfs/dbraw/zinc/26/37/04/336263704.db2.gz XODQIDKQHJPDPE-GOSISDBHSA-N -1 0 311.381 3.525 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000192851295 336271498 /nfs/dbraw/zinc/27/14/98/336271498.db2.gz XSBFPDJWCOYLDV-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000526971746 336276849 /nfs/dbraw/zinc/27/68/49/336276849.db2.gz RRLUICARSUYFMI-ZFWWWQNUSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc3ccccc3c2)c(F)c1 ZINC000325100196 336279079 /nfs/dbraw/zinc/27/90/79/336279079.db2.gz RRTJXAULYWWKFW-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc2cccnc21 ZINC000320880425 336376194 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ZINC000358525811 336633437 /nfs/dbraw/zinc/63/34/37/336633437.db2.gz BJLKWHCVRNNUFP-UHFFFAOYSA-N -1 0 313.353 3.554 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000362261388 336790099 /nfs/dbraw/zinc/79/00/99/336790099.db2.gz LMRIGAIMFOQOFL-UHFFFAOYSA-N -1 0 312.369 3.741 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000362474722 336799366 /nfs/dbraw/zinc/79/93/66/336799366.db2.gz VBLIJUAAVCULSE-KGLIPLIRSA-N -1 0 317.429 3.768 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000362537319 336803046 /nfs/dbraw/zinc/80/30/46/336803046.db2.gz HSBNFXINPCKUNV-BFYDXBDKSA-N -1 0 317.429 3.562 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000369047706 336857666 /nfs/dbraw/zinc/85/76/66/336857666.db2.gz OPOCAGRDRLHBRG-CYBMUJFWSA-N -1 0 319.763 3.814 20 0 DHADRM Cc1cccc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1C ZINC000392021794 336965730 /nfs/dbraw/zinc/96/57/30/336965730.db2.gz XZZMDNGZDDDZDS-KRWDZBQOSA-N -1 0 324.380 3.519 20 0 DHADRM CC(C)(CC(=O)N1CCCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000377570400 337055421 /nfs/dbraw/zinc/05/54/21/337055421.db2.gz GKZNDZJVFRKNGY-MRXNPFEDSA-N -1 0 317.429 3.501 20 0 DHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000170313574 337082639 /nfs/dbraw/zinc/08/26/39/337082639.db2.gz DJHJSFMRNXEVSI-UHFFFAOYSA-N -1 0 311.381 3.537 20 0 DHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000582531076 337105636 /nfs/dbraw/zinc/10/56/36/337105636.db2.gz NVOSGMKVXAUSAE-ZRUQZJFASA-N -1 0 316.357 3.591 20 0 DHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccs1 ZINC000582659073 337116956 /nfs/dbraw/zinc/11/69/56/337116956.db2.gz NHNYMTCPJJRVBL-UHFFFAOYSA-N -1 0 317.432 3.800 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000180089521 337173736 /nfs/dbraw/zinc/17/37/36/337173736.db2.gz GAIBKXVFOGUHHH-MEBBXXQBSA-N -1 0 303.308 3.504 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CC2)c2ccccc21 ZINC000182810793 337188370 /nfs/dbraw/zinc/18/83/70/337188370.db2.gz VWGYZQIRQLFYPC-UHFFFAOYSA-N -1 0 319.282 3.502 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)o1 ZINC000183500567 337192055 /nfs/dbraw/zinc/19/20/55/337192055.db2.gz YDBNOCZUHWSOKN-SSDOTTSWSA-N -1 0 313.275 3.510 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC000582852139 337210413 /nfs/dbraw/zinc/21/04/13/337210413.db2.gz VOBZISCRZALWIH-GXFFZTMASA-N -1 0 320.414 3.716 20 0 DHADRM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1Cl ZINC000582984314 337222753 /nfs/dbraw/zinc/22/27/53/337222753.db2.gz KDECWKVIHBNNPV-LURJTMIESA-N -1 0 317.197 3.647 20 0 DHADRM CC(C)c1nc(-c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n[nH]1 ZINC000583087634 337234080 /nfs/dbraw/zinc/23/40/80/337234080.db2.gz YYFNOCFDWLJRDW-UHFFFAOYSA-N -1 0 307.353 3.960 20 0 DHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000187078603 337261724 /nfs/dbraw/zinc/26/17/24/337261724.db2.gz QRVMDTMMUWRUFP-UHFFFAOYSA-N -1 0 317.366 3.551 20 0 DHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000063849509 337288392 /nfs/dbraw/zinc/28/83/92/337288392.db2.gz VLFQFQKBYXILEB-UHFFFAOYSA-N -1 0 323.389 3.552 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000321804664 337293299 /nfs/dbraw/zinc/29/32/99/337293299.db2.gz ZCKFGFPZJLLYSC-CQSZACIVSA-N -1 0 314.385 3.708 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191350209 337296125 /nfs/dbraw/zinc/29/61/25/337296125.db2.gz KPXQDTDKWYYYAX-NXEZZACHSA-N -1 0 307.396 3.558 20 0 DHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCC(=O)[O-] ZINC000583266698 337296386 /nfs/dbraw/zinc/29/63/86/337296386.db2.gz TUDXYPCGGKLJMC-ZDUSSCGKSA-N -1 0 317.410 3.703 20 0 DHADRM Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000013094798 337300094 /nfs/dbraw/zinc/30/00/94/337300094.db2.gz YAZFQCLSHNIFTJ-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c(C)o1 ZINC000193129245 337308528 /nfs/dbraw/zinc/30/85/28/337308528.db2.gz PYUWOJKTILOFHZ-UHFFFAOYSA-N -1 0 316.382 3.554 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000013258734 337310612 /nfs/dbraw/zinc/31/06/12/337310612.db2.gz IAPZUBQHFLAOGB-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000583327515 337316607 /nfs/dbraw/zinc/31/66/07/337316607.db2.gz RCKXFTCCLALEGP-QPUJVOFHSA-N -1 0 320.241 3.556 20 0 DHADRM CCCn1nc(C)c(-c2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000583764057 337331515 /nfs/dbraw/zinc/33/15/15/337331515.db2.gz VSOZMDSAHPPNGD-UHFFFAOYSA-N -1 0 316.401 3.821 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000020229438 337331991 /nfs/dbraw/zinc/33/19/91/337331991.db2.gz BWJZOHRDRTZWLU-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000035660915 337349651 /nfs/dbraw/zinc/34/96/51/337349651.db2.gz FWWFGMPQILGURR-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM CCC[C@](C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036339767 337353036 /nfs/dbraw/zinc/35/30/36/337353036.db2.gz MYCWEFXLSZJUIE-ZDUSSCGKSA-N -1 0 319.188 3.758 20 0 DHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)[O-] ZINC000037833817 337368086 /nfs/dbraw/zinc/36/80/86/337368086.db2.gz DRBKOAUTWDPTMF-UHFFFAOYSA-N -1 0 318.200 3.595 20 0 DHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(Br)c1[O-] ZINC000536807109 337394589 /nfs/dbraw/zinc/39/45/89/337394589.db2.gz RNXYMQFBKCXHCF-NXEZZACHSA-N -1 0 312.207 3.558 20 0 DHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C(C)C ZINC000236927632 337466659 /nfs/dbraw/zinc/46/66/59/337466659.db2.gz VFCUIFIRKBZFKS-HOCLYGCPSA-N -1 0 305.418 3.699 20 0 DHADRM CCn1cc(CC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000236948089 337466728 /nfs/dbraw/zinc/46/67/28/337466728.db2.gz GNCYFJRVXKFMCI-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000237564201 337468987 /nfs/dbraw/zinc/46/89/87/337468987.db2.gz GYUMYAASTVBPHK-JTQLQIEISA-N -1 0 319.357 3.643 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000237575658 337469029 /nfs/dbraw/zinc/46/90/29/337469029.db2.gz QQTCSYAXEALTNN-ZIAGYGMSSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1ncsc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237659766 337469113 /nfs/dbraw/zinc/46/91/13/337469113.db2.gz WQQMDEHBHCFRCA-UHFFFAOYSA-N -1 0 318.379 3.617 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000237756179 337469462 /nfs/dbraw/zinc/46/94/62/337469462.db2.gz JJOPALHECZXPPZ-ABAIWWIYSA-N -1 0 317.772 3.532 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1 ZINC000238096398 337470004 /nfs/dbraw/zinc/47/00/04/337470004.db2.gz UKDCCXKQGUWKDV-JGZYNSJSSA-N -1 0 323.392 3.812 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(F)cc1Cl ZINC000572047729 337588744 /nfs/dbraw/zinc/58/87/44/337588744.db2.gz BBDVNDCYRQONRR-SECBINFHSA-N -1 0 311.740 3.963 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000321252851 337614525 /nfs/dbraw/zinc/61/45/25/337614525.db2.gz QQTXGYQOGZXPCR-AWEZNQCLSA-N -1 0 318.417 3.837 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1c1ccccc1 ZINC000262078320 337614844 /nfs/dbraw/zinc/61/48/44/337614844.db2.gz BFRZQGNFGDVACR-SFHVURJKSA-N -1 0 323.392 3.681 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262079941 337615024 /nfs/dbraw/zinc/61/50/24/337615024.db2.gz BKDMZSOKPSTCCY-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM C[C@@H](c1cccs1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262134512 337615328 /nfs/dbraw/zinc/61/53/28/337615328.db2.gz HVYGKEXSGKTRHH-LBPRGKRZSA-N -1 0 317.410 3.599 20 0 DHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262165195 337615715 /nfs/dbraw/zinc/61/57/15/337615715.db2.gz OAQAMAQUUPDNBT-ZDUSSCGKSA-N -1 0 321.442 3.586 20 0 DHADRM CCCCCOc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1 ZINC000262354302 337617249 /nfs/dbraw/zinc/61/72/49/337617249.db2.gz BOJQAGBDEJTJGG-UHFFFAOYSA-N -1 0 321.417 3.581 20 0 DHADRM O=C([O-])CC1CCN(C(=O)CCCCCc2cccs2)CC1 ZINC000262458866 337618357 /nfs/dbraw/zinc/61/83/57/337618357.db2.gz QKOMEYYYJVCJLR-UHFFFAOYSA-N -1 0 323.458 3.564 20 0 DHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262478827 337618509 /nfs/dbraw/zinc/61/85/09/337618509.db2.gz HQONMVWPEZMCKC-INIZCTEOSA-N -1 0 315.413 3.694 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262494710 337618662 /nfs/dbraw/zinc/61/86/62/337618662.db2.gz XFSHOGUZWVWJND-HZPDHXFCSA-N -1 0 321.461 3.696 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCC1CCCC1 ZINC000262895297 337622136 /nfs/dbraw/zinc/62/21/36/337622136.db2.gz IELMZLMHHHLGGE-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM C[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263037874 337623392 /nfs/dbraw/zinc/62/33/92/337623392.db2.gz DKERYYYXAFBSPW-KSSFIOAISA-N -1 0 311.381 3.512 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000263038651 337623408 /nfs/dbraw/zinc/62/34/08/337623408.db2.gz RIYQTTDPLNMTDB-SHTZXODSSA-N -1 0 309.450 3.696 20 0 DHADRM CCC(CC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263155268 337624893 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301.337 3.852 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000430297250 338104635 /nfs/dbraw/zinc/10/46/35/338104635.db2.gz ADTSIXISSUIOGW-HNNXBMFYSA-N -1 0 317.429 3.549 20 0 DHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000430980260 338119963 /nfs/dbraw/zinc/11/99/63/338119963.db2.gz ROFXVSVHYRNVCP-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM CC1(C)CCC(CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000431218118 338126190 /nfs/dbraw/zinc/12/61/90/338126190.db2.gz KUGKFPLYEPWVOC-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000431440538 338130858 /nfs/dbraw/zinc/13/08/58/338130858.db2.gz JKQYEXVYFJEILM-OWCLPIDISA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431440030 338130860 /nfs/dbraw/zinc/13/08/60/338130860.db2.gz FYUHTRYSXBFKAY-OTYXRUKQSA-N -1 0 321.398 3.546 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000431452981 338131068 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O=C(Nc1cnc2c(c1)CCCC2)c1ccc([O-])c(Cl)c1 ZINC000436745600 338285104 /nfs/dbraw/zinc/28/51/04/338285104.db2.gz DFXXMFRXJVBHDI-UHFFFAOYSA-N -1 0 302.761 3.572 20 0 DHADRM COc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000436747099 338285195 /nfs/dbraw/zinc/28/51/95/338285195.db2.gz KJBWGZYSCNKOIX-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM CC(C)c1nn(C)cc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000436777730 338286982 /nfs/dbraw/zinc/28/69/82/338286982.db2.gz DJJXVDKSWJXZKJ-UHFFFAOYSA-N -1 0 318.764 3.620 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c([O-])cccc1F ZINC000436791503 338287465 /nfs/dbraw/zinc/28/74/65/338287465.db2.gz JTHRMDIBKDTMHO-UMVBOHGHSA-N -1 0 313.372 3.938 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000436790688 338287538 /nfs/dbraw/zinc/28/75/38/338287538.db2.gz OURGUEQLQRTVQV-ZDUSSCGKSA-N -1 0 319.763 3.642 20 0 DHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000436815162 338288224 /nfs/dbraw/zinc/28/82/24/338288224.db2.gz 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C[C@@H](c1ccccc1F)N(C)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516773156 340455402 /nfs/dbraw/zinc/45/54/02/340455402.db2.gz MVENHCFWJNAKDG-HSBZDZAISA-N -1 0 321.392 3.626 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000517145735 340464514 /nfs/dbraw/zinc/46/45/14/340464514.db2.gz QLPWSTVRBHPXIK-DOMZBBRYSA-N -1 0 318.417 3.559 20 0 DHADRM Cc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](C)CC(=O)[O-])o1 ZINC000517247370 340466675 /nfs/dbraw/zinc/46/66/75/340466675.db2.gz LTVVEYUXVJPIOE-TZMCWYRMSA-N -1 0 307.390 3.533 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183584370 340488347 /nfs/dbraw/zinc/48/83/47/340488347.db2.gz QQJIZHYLZROPAT-JTQLQIEISA-N -1 0 323.314 3.917 20 0 DHADRM O=C(Nc1cnc2ccccc2c1)c1cc(F)c(F)c([O-])c1F ZINC000193922147 340585837 /nfs/dbraw/zinc/58/58/37/340585837.db2.gz SRCXMCOMZDWCIN-UHFFFAOYSA-N -1 0 318.254 3.610 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCS1 ZINC000228836086 340608470 /nfs/dbraw/zinc/60/84/70/340608470.db2.gz 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340669609 /nfs/dbraw/zinc/66/96/09/340669609.db2.gz FPVQUNFVDSLMBM-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM CSc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237313091 340669837 /nfs/dbraw/zinc/66/98/37/340669837.db2.gz WYXCFCRYBVNFDV-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237411057 340670710 /nfs/dbraw/zinc/67/07/10/340670710.db2.gz MYQAVOPIKIFKNH-OFFHKIPUSA-N -1 0 315.394 3.679 20 0 DHADRM C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237601523 340672522 /nfs/dbraw/zinc/67/25/22/340672522.db2.gz MYQAVOPIKIFKNH-PMDBQALLSA-N -1 0 315.394 3.679 20 0 DHADRM Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1C(=O)[O-] ZINC000237676155 340673068 /nfs/dbraw/zinc/67/30/68/340673068.db2.gz TYSGAPISLONCAA-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM Cc1cc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCCC2)c(C)s1 ZINC000314723281 340675106 /nfs/dbraw/zinc/67/51/06/340675106.db2.gz PJGRXWWEUVLXDA-LBPRGKRZSA-N -1 0 323.458 3.967 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000238051719 340675614 /nfs/dbraw/zinc/67/56/14/340675614.db2.gz HFVSCSDBRZRJAZ-UHFFFAOYSA-N -1 0 309.321 3.702 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C)c(F)c2)cc(C(=O)[O-])c1C ZINC000315785567 340676796 /nfs/dbraw/zinc/67/67/96/340676796.db2.gz XSUSJUHVCMLMEO-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000315956847 340677601 /nfs/dbraw/zinc/67/76/01/340677601.db2.gz CIUXTJAEYDHRIV-QWHCGFSZSA-N -1 0 303.402 3.814 20 0 DHADRM CC(C)CC1(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1 ZINC000316969792 340699251 /nfs/dbraw/zinc/69/92/51/340699251.db2.gz IIBBJXDFEHDINC-LSDHHAIUSA-N -1 0 309.450 3.600 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000397345185 340711000 /nfs/dbraw/zinc/71/10/00/340711000.db2.gz XDUAKDOSIKSCDB-HOTGVXAUSA-N -1 0 311.337 3.528 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2C)c1 ZINC000528972720 340741297 /nfs/dbraw/zinc/74/12/97/340741297.db2.gz 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/nfs/dbraw/zinc/83/49/45/340834945.db2.gz QHWYCZRHCPUAQB-UHFFFAOYSA-N -1 0 314.414 3.659 20 0 DHADRM Cc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000539603329 340892079 /nfs/dbraw/zinc/89/20/79/340892079.db2.gz ISIKHIISJDOAHP-UHFFFAOYSA-N -1 0 311.381 3.901 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000539676041 340895534 /nfs/dbraw/zinc/89/55/34/340895534.db2.gz COLKXTDEGWUFKY-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CC(C)c1nc(=N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000542523009 341012061 /nfs/dbraw/zinc/01/20/61/341012061.db2.gz YHZAOUFFJRMCMZ-KBPBESRZSA-N -1 0 321.421 3.555 20 0 DHADRM CC[C@@H](C)N(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542730788 341019060 /nfs/dbraw/zinc/01/90/60/341019060.db2.gz WBTWFMWZENGAAJ-SECBINFHSA-N -1 0 324.837 3.543 20 0 DHADRM CC[C@H](C)N(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542730790 341019085 /nfs/dbraw/zinc/01/90/85/341019085.db2.gz WBTWFMWZENGAAJ-VIFPVBQESA-N -1 0 324.837 3.543 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000544407200 341080631 /nfs/dbraw/zinc/08/06/31/341080631.db2.gz RYHXDCAXCGWEMR-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM Cc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)c(C(=O)[O-])c1 ZINC000544408552 341080801 /nfs/dbraw/zinc/08/08/01/341080801.db2.gz ZBWHBFWPOLXLCM-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM CC(C)c1cccnc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000544553502 341085547 /nfs/dbraw/zinc/08/55/47/341085547.db2.gz GNNUPTUFVNLQEE-UHFFFAOYSA-N -1 0 310.275 3.580 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000544680486 341091010 /nfs/dbraw/zinc/09/10/10/341091010.db2.gz ZOTKMIVNEVUCJK-OAHLLOKOSA-N -1 0 315.369 3.803 20 0 DHADRM CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1C ZINC000073974886 341124183 /nfs/dbraw/zinc/12/41/83/341124183.db2.gz HQUXRLJJPJIDEB-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM CCCc1nc(=NC(=O)c2cc3cc(Cl)ccc3o2)s[n-]1 ZINC000545965483 341148781 /nfs/dbraw/zinc/14/87/81/341148781.db2.gz CMRLWZCXKGGXDY-UHFFFAOYSA-N 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ZINC000572677911 341700100 /nfs/dbraw/zinc/70/01/00/341700100.db2.gz RKTYBZBEEXGWSK-ZDUSSCGKSA-N -1 0 310.781 3.508 20 0 DHADRM COCCc1cccc(-c2ccc(CCC(=O)[O-])c(OC)c2)c1 ZINC000573386932 341727012 /nfs/dbraw/zinc/72/70/12/341727012.db2.gz UUZSRQLTXJPLBJ-UHFFFAOYSA-N -1 0 314.381 3.568 20 0 DHADRM Cc1ccc2ccccc2c1C[S@](=O)[C@H](CC(C)C)C(=O)[O-] ZINC000573924257 341743360 /nfs/dbraw/zinc/74/33/60/341743360.db2.gz PINPXOHCXQIZTB-VGSWGCGISA-N -1 0 318.438 3.896 20 0 DHADRM CC[C@@H]1CN(C(=O)C[C@@H](C)CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575815287 341806377 /nfs/dbraw/zinc/80/63/77/341806377.db2.gz FOGWSVSQQZPGEA-BFYDXBDKSA-N -1 0 317.429 3.530 20 0 DHADRM CCCC[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C(=O)[O-] ZINC000336850646 341807809 /nfs/dbraw/zinc/80/78/09/341807809.db2.gz ZPYVQGGUBKPSKM-KBMXLJTQSA-N -1 0 305.418 3.576 20 0 DHADRM CC(C)C[C@@H](Cc1cccc(-c2cnn3cccnc23)c1)C(=O)[O-] ZINC000576003615 341819514 /nfs/dbraw/zinc/81/95/14/341819514.db2.gz AUEWDWRNYNFDPD-INIZCTEOSA-N -1 0 323.396 3.686 20 0 DHADRM O=C([O-])C1(CC(=O)NCc2ccc(C3CCC3)cc2)CCCC1 ZINC000576290257 341838547 /nfs/dbraw/zinc/83/85/47/341838547.db2.gz ANOPILLJTFFAQA-UHFFFAOYSA-N -1 0 315.413 3.605 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000577125482 341888334 /nfs/dbraw/zinc/88/83/34/341888334.db2.gz GMTOTPNDKIPNEO-SMDDNHRTSA-N -1 0 307.365 3.608 20 0 DHADRM COC[C@@H](C)Oc1cccc(-c2cc(C)sc2C(=O)[O-])c1 ZINC000577291123 341903009 /nfs/dbraw/zinc/90/30/09/341903009.db2.gz BEWVAHRJMHMDOU-SNVBAGLBSA-N -1 0 306.383 3.835 20 0 DHADRM Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1ccc2ncn(C)c2c1 ZINC000578027291 341974432 /nfs/dbraw/zinc/97/44/32/341974432.db2.gz WBGZDIBROIQIKW-UHFFFAOYSA-N -1 0 308.381 3.911 20 0 DHADRM CC(C)CC1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCC1 ZINC000263143067 517408487 /nfs/dbraw/zinc/40/84/87/517408487.db2.gz GVVUJGHLMYBIAH-UHFFFAOYSA-N -1 0 307.365 3.608 20 0 DHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1ccccc1Cl ZINC000155088098 518529515 /nfs/dbraw/zinc/52/95/15/518529515.db2.gz LVWJJWHENBFICJ-UHFFFAOYSA-N -1 0 309.715 3.618 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000338193113 518687576 /nfs/dbraw/zinc/68/75/76/518687576.db2.gz WLOSCCAMRPDPPT-ZDUSSCGKSA-N -1 0 311.809 3.798 20 0 DHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccoc2)cc1 ZINC000236606981 519048274 /nfs/dbraw/zinc/04/82/74/519048274.db2.gz JDWPNFFOCBQMQD-OAHLLOKOSA-N -1 0 315.369 3.523 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136142043 519839035 /nfs/dbraw/zinc/83/90/35/519839035.db2.gz DXPMXFYGQYSSFK-YOEHRIQHSA-N -1 0 317.429 3.627 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000263030995 520174789 /nfs/dbraw/zinc/17/47/89/520174789.db2.gz QVXZRWVTBYNNGF-XYPYZODXSA-N -1 0 311.328 3.628 20 0 DHADRM CCCC[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC000236844604 521076448 /nfs/dbraw/zinc/07/64/48/521076448.db2.gz RREGZOUHGJXLMV-OAHLLOKOSA-N -1 0 321.417 3.544 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000236871236 521162521 /nfs/dbraw/zinc/16/25/21/521162521.db2.gz GCRKWPHYSAPBNL-ZDUSSCGKSA-N -1 0 307.390 3.613 20 0 DHADRM CCC(CC)(CC(=O)Nc1c(C)cc(N(C)C)cc1C)C(=O)[O-] ZINC000129878931 521387774 /nfs/dbraw/zinc/38/77/74/521387774.db2.gz XXSGPLJJAZUGFQ-UHFFFAOYSA-N -1 0 320.433 3.589 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000245729544 522513797 /nfs/dbraw/zinc/51/37/97/522513797.db2.gz PZTUURJOXIXTAS-GUTXKFCHSA-N -1 0 323.820 3.798 20 0 DHADRM CC[C@@H](CN(CC)C(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000263579437 522527377 /nfs/dbraw/zinc/52/73/77/522527377.db2.gz USJBTQKOXLBCOG-HNNXBMFYSA-N -1 0 305.418 3.674 20 0 DHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237024149 522630285 /nfs/dbraw/zinc/63/02/85/522630285.db2.gz UKJOXLDIIDKYMZ-ZDUSSCGKSA-N -1 0 317.410 3.540 20 0 DHADRM CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCO1 ZINC000163704255 523365692 /nfs/dbraw/zinc/36/56/92/523365692.db2.gz WOXOQNKLWHSLGE-WPRPVWTQSA-N -1 0 318.200 3.843 20 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HVPSORXDQJRLMR-INIZCTEOSA-N -1 0 305.418 3.528 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1F ZINC000740056396 600565690 /nfs/dbraw/zinc/56/56/90/600565690.db2.gz OOOBDXBESBQKDG-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccccc2NC(=O)[O-])Cc2ccccc21 ZINC000736810843 600565707 /nfs/dbraw/zinc/56/57/07/600565707.db2.gz WBWQSNGZLDRASL-GFCCVEGCSA-N -1 0 310.353 3.536 20 0 DHADRM Cc1c2ccccc2oc1COC(=O)c1cccc(C(=O)[O-])c1 ZINC000738289836 600567348 /nfs/dbraw/zinc/56/73/48/600567348.db2.gz WKEUDGGKLVNAKW-UHFFFAOYSA-N -1 0 310.305 3.796 20 0 DHADRM Cc1c(NC(=O)C2(c3cccc(F)c3)CC2)cccc1C(=O)[O-] ZINC000738300987 600570293 /nfs/dbraw/zinc/57/02/93/600570293.db2.gz ZFGGNKKXVUOUCV-UHFFFAOYSA-N -1 0 313.328 3.503 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2ccccc2NC(=O)[O-])c(C)c1 ZINC000738552130 600570359 /nfs/dbraw/zinc/57/03/59/600570359.db2.gz NPNNGZNGXJNMJU-ZDUSSCGKSA-N -1 0 312.369 3.884 20 0 DHADRM CCCOc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737034448 600570885 /nfs/dbraw/zinc/57/08/85/600570885.db2.gz LAHIKJLEYMTRBV-UHFFFAOYSA-N -1 0 314.341 3.818 20 0 DHADRM CC(C)C[C@@H](OC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000736425384 600573407 /nfs/dbraw/zinc/57/34/07/600573407.db2.gz LUTXGUPFBVGIDU-GOEBONIOSA-N -1 0 304.386 3.539 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1NC(=O)[O-] ZINC000738670546 600574642 /nfs/dbraw/zinc/57/46/42/600574642.db2.gz MXUFTVILVAWFJU-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCCCc2ccccc21 ZINC000740044747 600576954 /nfs/dbraw/zinc/57/69/54/600576954.db2.gz AIRLFDNETRFKHA-MRXNPFEDSA-N -1 0 324.380 3.974 20 0 DHADRM C[C@H](CN(C)C(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736576184 600577232 /nfs/dbraw/zinc/57/72/32/600577232.db2.gz XJMVPSNAQMYOQE-CYBMUJFWSA-N -1 0 312.369 3.652 20 0 DHADRM COc1c(C)cnc(CSCc2ccc(C(=O)[O-])cc2)c1C ZINC000737839090 600580962 /nfs/dbraw/zinc/58/09/62/600580962.db2.gz BWEVXRSBMKEFTN-UHFFFAOYSA-N -1 0 317.410 3.839 20 0 DHADRM Cc1c(NC(=O)C2(c3ccccc3F)CC2)cccc1C(=O)[O-] ZINC000738298495 600584176 /nfs/dbraw/zinc/58/41/76/600584176.db2.gz DWLKDXCXCBVVKN-UHFFFAOYSA-N -1 0 313.328 3.503 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3occc3s2)c1 ZINC000740141129 600584927 /nfs/dbraw/zinc/58/49/27/600584927.db2.gz ZPGHCSDZEJLWNB-UHFFFAOYSA-N -1 0 305.286 3.584 20 0 DHADRM CCc1cccc2c1N(C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000737273262 600587451 /nfs/dbraw/zinc/58/74/51/600587451.db2.gz XITRIQLGVZMBRP-UHFFFAOYSA-N -1 0 324.380 3.932 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1ccc(OCc2ccccn2)cc1 ZINC000736552825 600587482 /nfs/dbraw/zinc/58/74/82/600587482.db2.gz RQMUJQXGQHLPHI-CYBMUJFWSA-N -1 0 317.410 3.757 20 0 DHADRM COC(=O)c1sc2ccccc2c1CS[C@@H](C)CC(=O)[O-] ZINC000737723433 600588055 /nfs/dbraw/zinc/58/80/55/600588055.db2.gz JYRHSFWTMBUODN-VIFPVBQESA-N -1 0 324.423 3.784 20 0 DHADRM Cc1ccc(-c2noc([C@@H](C)S[C@@H](C)CC(=O)[O-])n2)cc1F ZINC000738251571 600588929 /nfs/dbraw/zinc/58/89/29/600588929.db2.gz MFKVDMHTORNSBM-VHSXEESVSA-N 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/nfs/dbraw/zinc/60/07/77/600600777.db2.gz RCNGLNPJCKWGKG-QMMMGPOBSA-N -1 0 309.214 3.826 20 0 DHADRM C[C@H](CSCc1ccc(OCc2cccnc2)cc1)C(=O)[O-] ZINC000736614711 600601055 /nfs/dbraw/zinc/60/10/55/600601055.db2.gz YNDJVKCYSNZWOF-CYBMUJFWSA-N -1 0 317.410 3.615 20 0 DHADRM C[C@H](CSCc1ccc(Br)cc1F)C(=O)[O-] ZINC000083051519 600606528 /nfs/dbraw/zinc/60/65/28/600606528.db2.gz IUEMWYWBWGEUBR-SSDOTTSWSA-N -1 0 307.184 3.542 20 0 DHADRM O=C([O-])c1sccc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000739220826 600608297 /nfs/dbraw/zinc/60/82/97/600608297.db2.gz CQODEGVUGIULIE-NSHDSACASA-N -1 0 301.367 3.505 20 0 DHADRM Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)c(C(=O)[O-])c1 ZINC000738615026 600609379 /nfs/dbraw/zinc/60/93/79/600609379.db2.gz JZKFIVKGDGYPJX-AWEZNQCLSA-N -1 0 309.365 3.752 20 0 DHADRM C[C@H]1CCC[C@H](CCNC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736775803 600610555 /nfs/dbraw/zinc/61/05/55/600610555.db2.gz ROPAFAPTUMTWLL-QWHCGFSZSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736776721 600610731 /nfs/dbraw/zinc/61/07/31/600610731.db2.gz XIUPOAYXHXOABO-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@](NC(=O)c1sc2ccccc2c1Cl)(C(=O)[O-])C1CC1 ZINC000037430091 600612747 /nfs/dbraw/zinc/61/27/47/600612747.db2.gz FFVCWYCAUCQXCQ-OAHLLOKOSA-N -1 0 323.801 3.538 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)c2coc3ccccc23)ccc1F ZINC000740012003 600618376 /nfs/dbraw/zinc/61/83/76/600618376.db2.gz IIVMUTRLKSYHHV-UHFFFAOYSA-N -1 0 314.272 3.914 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736358535 600618463 /nfs/dbraw/zinc/61/84/63/600618463.db2.gz JYKMNRBHOCDBEA-MRXNPFEDSA-N -1 0 316.353 3.536 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)ccc2F)c1 ZINC000147453250 600618969 /nfs/dbraw/zinc/61/89/69/600618969.db2.gz WLEGWDRMDSNFQX-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000178254066 600619469 /nfs/dbraw/zinc/61/94/69/600619469.db2.gz VEQWGJCRQYMSDP-UHFFFAOYSA-N -1 0 314.728 3.772 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000147473756 600620253 /nfs/dbraw/zinc/62/02/53/600620253.db2.gz HBDXOGBATUMUEX-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM Cc1cccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738692850 600620303 /nfs/dbraw/zinc/62/03/03/600620303.db2.gz RRFPAUPAFVERIQ-BLLLJJGKSA-N -1 0 316.328 3.607 20 0 DHADRM Cc1cccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000147475544 600621657 /nfs/dbraw/zinc/62/16/57/600621657.db2.gz BHQLZOFBRNIOOY-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000237825309 600624756 /nfs/dbraw/zinc/62/47/56/600624756.db2.gz ONUCZHIOVRETQO-SFHVURJKSA-N -1 0 323.392 3.541 20 0 DHADRM Cc1cc(OCc2ccc(OC(F)F)cc2)c(C(=O)[O-])s1 ZINC000738474104 600639384 /nfs/dbraw/zinc/63/93/84/600639384.db2.gz KQCWCRARJPDGNX-UHFFFAOYSA-N -1 0 314.309 3.935 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000683306229 600643526 /nfs/dbraw/zinc/64/35/26/600643526.db2.gz CFJPZPKKOOPJSS-INIZCTEOSA-N -1 0 324.380 3.550 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1sccc1C1CC1)c1ccccc1F ZINC000833351184 600653710 /nfs/dbraw/zinc/65/37/10/600653710.db2.gz JHHGYFWAIOIQOY-CYBMUJFWSA-N -1 0 320.341 3.747 20 0 DHADRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000315828646 600670191 /nfs/dbraw/zinc/67/01/91/600670191.db2.gz HLWGADOVMGPPNO-GFCCVEGCSA-N -1 0 320.732 3.529 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736984980 600671687 /nfs/dbraw/zinc/67/16/87/600671687.db2.gz RNSMLQQAIQURJQ-PBHICJAKSA-N -1 0 305.418 3.877 20 0 DHADRM CC(C)CCO[C@@H](C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000826855601 600693918 /nfs/dbraw/zinc/69/39/18/600693918.db2.gz SETCEJTYXGWUQM-NSHDSACASA-N -1 0 304.346 3.559 20 0 DHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736511734 600696269 /nfs/dbraw/zinc/69/62/69/600696269.db2.gz BRBFMFOOQZSHIM-HZPDHXFCSA-N -1 0 324.380 3.645 20 0 DHADRM Cc1ccc2oc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2n1 ZINC000832959376 600696821 /nfs/dbraw/zinc/69/68/21/600696821.db2.gz CDZHIUJHOBFQNT-UHFFFAOYSA-N -1 0 321.292 3.551 20 0 DHADRM Cc1cc(COC(=O)[C@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000832884602 600719762 /nfs/dbraw/zinc/71/97/62/600719762.db2.gz FFILDLSVEUQFFO-HNNXBMFYSA-N -1 0 316.353 3.769 20 0 DHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1cccc(F)c1 ZINC000827860276 600728536 /nfs/dbraw/zinc/72/85/36/600728536.db2.gz CRELFTQXELKLNK-SECBINFHSA-N -1 0 319.288 3.539 20 0 DHADRM CC(=O)c1ccc(Cl)c(Cl)c1OC/C=C(\C)C(=O)[O-] ZINC000825946932 600728809 /nfs/dbraw/zinc/72/88/09/600728809.db2.gz XMEQSZQLOVELLM-FNORWQNLSA-N -1 0 303.141 3.606 20 0 DHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H](C)CC[C@@H]3C)c12 ZINC000833001839 600731557 /nfs/dbraw/zinc/73/15/57/600731557.db2.gz ZIMBGMWHRQMNRQ-IUCAKERBSA-N -1 0 319.430 3.631 20 0 DHADRM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1ccc(C(=O)[O-])o1 ZINC000827862104 600733466 /nfs/dbraw/zinc/73/34/66/600733466.db2.gz UZIGRINDDIQKFB-SSDOTTSWSA-N -1 0 312.680 3.688 20 0 DHADRM C[C@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCc2ccccc2C1 ZINC000828042082 600734619 /nfs/dbraw/zinc/73/46/19/600734619.db2.gz NUWXFNCXGCGOGS-FQEVSTJZSA-N -1 0 324.376 3.623 20 0 DHADRM C[C@@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCc2ccccc2C1 ZINC000828042083 600734670 /nfs/dbraw/zinc/73/46/70/600734670.db2.gz NUWXFNCXGCGOGS-HXUWFJFHSA-N -1 0 324.376 3.623 20 0 DHADRM CC(C)C[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000736402256 600738867 /nfs/dbraw/zinc/73/88/67/600738867.db2.gz QTPXVXQUOPSCFW-OAHLLOKOSA-N -1 0 316.353 3.851 20 0 DHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000316136599 600743644 /nfs/dbraw/zinc/74/36/44/600743644.db2.gz PHBMYZOCFZUVFC-CHWSQXEVSA-N -1 0 304.390 3.784 20 0 DHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000316136605 600744086 /nfs/dbraw/zinc/74/40/86/600744086.db2.gz PHBMYZOCFZUVFC-QWHCGFSZSA-N -1 0 304.390 3.784 20 0 DHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000386123508 600746195 /nfs/dbraw/zinc/74/61/95/600746195.db2.gz RYVNEQJTBFETRD-CMPLNLGQSA-N -1 0 308.353 3.614 20 0 DHADRM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000737281042 600757379 /nfs/dbraw/zinc/75/73/79/600757379.db2.gz FGVAKODJLGSIQH-JTQLQIEISA-N -1 0 319.382 3.630 20 0 DHADRM Cc1cccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3C)c[nH]c21 ZINC000675966591 600768679 /nfs/dbraw/zinc/76/86/79/600768679.db2.gz RUDGGFQZWSXIDL-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)ccc1C(=O)[O-] ZINC000261884189 600786705 /nfs/dbraw/zinc/78/67/05/600786705.db2.gz RPQQITUDZRNRKA-YLJYHZDGSA-N -1 0 321.376 3.536 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)CC1CCCCC1)c1cccc(Cl)c1 ZINC000776674947 600804333 /nfs/dbraw/zinc/80/43/33/600804333.db2.gz OAHKJDFCJVAAOC-OAHLLOKOSA-N -1 0 323.820 3.942 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C=C1CCCCC1)c1cccc(Cl)c1 ZINC000776677753 600805805 /nfs/dbraw/zinc/80/58/05/600805805.db2.gz MPMFWHSVRUDNST-OAHLLOKOSA-N -1 0 321.804 3.863 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000829207739 600807076 /nfs/dbraw/zinc/80/70/76/600807076.db2.gz DMIRMOPQCYSADR-BMGYJQCNSA-N -1 0 309.793 3.718 20 0 DHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Cc1cccs1 ZINC000827512418 600819000 /nfs/dbraw/zinc/81/90/00/600819000.db2.gz NTTDFVJYSGLSIK-SSDOTTSWSA-N -1 0 316.835 3.847 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000736232169 600820874 /nfs/dbraw/zinc/82/08/74/600820874.db2.gz HLRHHRSHRIKKPQ-UHFFFAOYSA-N -1 0 314.410 3.858 20 0 DHADRM CCCC[C@@H](CC)CNC(=S)Nc1ccc(C(=O)[O-])s1 ZINC000829284850 600826106 /nfs/dbraw/zinc/82/61/06/600826106.db2.gz GYRCTLMHZUZGFC-SNVBAGLBSA-N -1 0 314.476 3.949 20 0 DHADRM CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccccc1C(=O)[O-] ZINC000737311569 600826432 /nfs/dbraw/zinc/82/64/32/600826432.db2.gz QRLHHMFPMMPLCI-GJZGRUSLSA-N -1 0 301.386 3.564 20 0 DHADRM Cc1ccccc1-c1cnc(CNc2cccc(C(=O)[O-])c2)o1 ZINC000832975383 600826447 /nfs/dbraw/zinc/82/64/47/600826447.db2.gz WHEYXVIEFIMXTA-UHFFFAOYSA-N -1 0 308.337 3.960 20 0 DHADRM C[C@@H](C(=O)Oc1c(C(=O)[O-])ccc2ccccc21)c1ccco1 ZINC000736225629 600829384 /nfs/dbraw/zinc/82/93/84/600829384.db2.gz ZMGXCGIRMOMKAO-LLVKDONJSA-N -1 0 310.305 3.840 20 0 DHADRM CC/C(=C/C(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000736837428 600832048 /nfs/dbraw/zinc/83/20/48/600832048.db2.gz WLYNNIWHPKTRHX-RAXLEYEMSA-N -1 0 314.337 3.823 20 0 DHADRM O=C([O-])[C@H](Sc1ncnc2ccccc21)c1ccccc1F ZINC000833169007 600834129 /nfs/dbraw/zinc/83/41/29/600834129.db2.gz HORUOGKUJFOJBH-CQSZACIVSA-N -1 0 314.341 3.687 20 0 DHADRM CC/C(=C/C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(C)cc1 ZINC000736834354 600834885 /nfs/dbraw/zinc/83/48/85/600834885.db2.gz ICMSQJYBLPCVPX-MLRPBERTSA-N -1 0 315.413 3.644 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000532264344 600840010 /nfs/dbraw/zinc/84/00/10/600840010.db2.gz XZKJSTKOSGXOJL-IRXDYDNUSA-N -1 0 315.413 3.859 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000736850393 600841998 /nfs/dbraw/zinc/84/19/98/600841998.db2.gz WNKXOOSCUFIKMD-OFQRWUPVSA-N -1 0 303.402 3.709 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736773780 600843608 /nfs/dbraw/zinc/84/36/08/600843608.db2.gz WYXRZBIAKQFJGN-TZMCWYRMSA-N -1 0 304.390 3.561 20 0 DHADRM O=C([O-])NCc1ccc(NC(=O)C2CCCCCCC2)cc1 ZINC000739986125 600844064 /nfs/dbraw/zinc/84/40/64/600844064.db2.gz NJKOIDAUCMPPBH-UHFFFAOYSA-N -1 0 304.390 3.753 20 0 DHADRM CCCC[C@@H](CC)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000317077634 600848659 /nfs/dbraw/zinc/84/86/59/600848659.db2.gz NTADNUKKZPRDKW-KGLIPLIRSA-N -1 0 303.402 3.808 20 0 DHADRM CC(C)[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000776630289 600851565 /nfs/dbraw/zinc/85/15/65/600851565.db2.gz GCFJNMYROLFDBT-INIZCTEOSA-N -1 0 315.344 3.902 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C\C2CCCCC2)c2ccccc21 ZINC000739640682 600852979 /nfs/dbraw/zinc/85/29/79/600852979.db2.gz FWDNSZBUCDLNRI-JQPIKURYSA-N -1 0 313.397 3.728 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)CC2CCCCC2)c2ccccc21 ZINC000388014911 600854090 /nfs/dbraw/zinc/85/40/90/600854090.db2.gz HYYHUGPTIJVILG-AWEZNQCLSA-N -1 0 301.386 3.562 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)CC2CCCCC2)c2ccccc21 ZINC000388014912 600854142 /nfs/dbraw/zinc/85/41/42/600854142.db2.gz HYYHUGPTIJVILG-CQSZACIVSA-N -1 0 301.386 3.562 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000829305124 600862255 /nfs/dbraw/zinc/86/22/55/600862255.db2.gz RPYXZWCHYBIIKY-VGWMRTNUSA-N -1 0 309.450 3.837 20 0 DHADRM CCC[C@](C)(NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000236795950 600866884 /nfs/dbraw/zinc/86/68/84/600866884.db2.gz ISISICLKMKTZRU-RJYAGPCLSA-N -1 0 317.429 3.720 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000111470758 600868766 /nfs/dbraw/zinc/86/87/66/600868766.db2.gz ZKWQENJRIZRBCF-IUCAKERBSA-N -1 0 316.184 3.823 20 0 DHADRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000237403897 600871292 /nfs/dbraw/zinc/87/12/92/600871292.db2.gz FOTKCESZQIMJST-ADVGAGMGSA-N -1 0 317.429 3.728 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000391385028 600871488 /nfs/dbraw/zinc/87/14/88/600871488.db2.gz BKEWGAOVXNTHEM-SJORKVTESA-N -1 0 317.429 3.659 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630294397 600872135 /nfs/dbraw/zinc/87/21/35/600872135.db2.gz IWIOJLVZPGQBQI-HBUWYVDXSA-N -1 0 323.392 3.792 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000829357706 600872837 /nfs/dbraw/zinc/87/28/37/600872837.db2.gz UUSMJGSVLCQRNS-WMLDXEAASA-N -1 0 312.454 3.632 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000261648428 600880784 /nfs/dbraw/zinc/88/07/84/600880784.db2.gz FBKDZDHUALRQDM-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829718979 600885747 /nfs/dbraw/zinc/88/57/47/600885747.db2.gz UAZVWMRQYDVPRU-UONOGXRCSA-N -1 0 323.820 3.580 20 0 DHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829718980 600885862 /nfs/dbraw/zinc/88/58/62/600885862.db2.gz UAZVWMRQYDVPRU-ZIAGYGMSSA-N -1 0 323.820 3.580 20 0 DHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2cccc(F)c2)c1OC ZINC000831913902 600893151 /nfs/dbraw/zinc/89/31/51/600893151.db2.gz WXXRYASZRIYTSX-JTQLQIEISA-N -1 0 319.332 3.714 20 0 DHADRM CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000263527102 600897347 /nfs/dbraw/zinc/89/73/47/600897347.db2.gz KMAWONUGWPKVMB-AVGNSLFASA-N -1 0 323.458 3.806 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000035426511 600898495 /nfs/dbraw/zinc/89/84/95/600898495.db2.gz MWXMIDOHHHLAAM-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccccc2)s1 ZINC000035425674 600899316 /nfs/dbraw/zinc/89/93/16/600899316.db2.gz MGWJANQCYBVVKK-UHFFFAOYSA-N -1 0 307.396 3.567 20 0 DHADRM Cc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000035425671 600899351 /nfs/dbraw/zinc/89/93/51/600899351.db2.gz HVOCLLMVIMSQND-UHFFFAOYSA-N -1 0 321.423 3.876 20 0 DHADRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000829590943 600904162 /nfs/dbraw/zinc/90/41/62/600904162.db2.gz KEIOYOXYELBUCQ-HUUCEWRRSA-N -1 0 303.402 3.547 20 0 DHADRM CC(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647119880 600914976 /nfs/dbraw/zinc/91/49/76/600914976.db2.gz UYJGYRNZMFIKRX-IRXDYDNUSA-N -1 0 317.429 3.562 20 0 DHADRM CCC(CC)(NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000342532955 600925071 /nfs/dbraw/zinc/92/50/71/600925071.db2.gz VCUBBZKJWPZVDT-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM CCCC[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)[O-] ZINC000736986138 600937412 /nfs/dbraw/zinc/93/74/12/600937412.db2.gz UHPWRDOWEGFWDW-GFCCVEGCSA-N -1 0 311.451 3.663 20 0 DHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000829009907 600939949 /nfs/dbraw/zinc/93/99/49/600939949.db2.gz VDZJYKKAXXXMHB-MAZHCROVSA-N -1 0 320.385 3.664 20 0 DHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C ZINC000738503887 600940566 /nfs/dbraw/zinc/94/05/66/600940566.db2.gz CRZWXHNBJLROAR-UHFFFAOYSA-N -1 0 315.344 3.564 20 0 DHADRM Cc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832922988 600948309 /nfs/dbraw/zinc/94/83/09/600948309.db2.gz DSQHVADXSFPRJN-IINYFYTJSA-N -1 0 322.744 3.714 20 0 DHADRM CC(C)C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000826819777 600957120 /nfs/dbraw/zinc/95/71/20/600957120.db2.gz LVFFKBAFEGMIQI-NSHDSACASA-N -1 0 305.157 3.650 20 0 DHADRM COc1cccc([C@H](C)OC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000832532833 600963477 /nfs/dbraw/zinc/96/34/77/600963477.db2.gz FRLVDLXKGGYYRL-NSHDSACASA-N -1 0 315.325 3.703 20 0 DHADRM O=C([O-])C[C@H]1CN(CCOC2CCCCCC2)c2ccccc21 ZINC000739654106 600964419 /nfs/dbraw/zinc/96/44/19/600964419.db2.gz SEYXVDKLCXDNHL-HNNXBMFYSA-N -1 0 317.429 3.804 20 0 DHADRM Cc1nc(NC(=O)[C@@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000833002677 600966139 /nfs/dbraw/zinc/96/61/39/600966139.db2.gz CPJRKNZRFBNJBF-GFCCVEGCSA-N -1 0 318.398 3.528 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832964750 600972853 /nfs/dbraw/zinc/97/28/53/600972853.db2.gz MNFWAONOYRWTRH-UHFFFAOYSA-N -1 0 302.305 3.785 20 0 DHADRM COc1ccc(CSCC(=O)[O-])cc1SC(F)(F)F ZINC000738010128 600982904 /nfs/dbraw/zinc/98/29/04/600982904.db2.gz BCAAYYKOZLESMC-UHFFFAOYSA-N -1 0 312.334 3.625 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000321695568 600994675 /nfs/dbraw/zinc/99/46/75/600994675.db2.gz KSUIRCINIVOPEV-CYBMUJFWSA-N -1 0 320.433 3.853 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000325440320 600995412 /nfs/dbraw/zinc/99/54/12/600995412.db2.gz NAMDBMUXPZMPEH-UHFFFAOYSA-N -1 0 323.352 3.564 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000740229133 600995524 /nfs/dbraw/zinc/99/55/24/600995524.db2.gz YABGYIAJMXOFOY-AWEZNQCLSA-N -1 0 313.378 3.603 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3cccc(F)c3o2)c1 ZINC000678984127 600999497 /nfs/dbraw/zinc/99/94/97/600999497.db2.gz QPZFJOWFYYLAEB-UHFFFAOYSA-N -1 0 317.247 3.662 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000740253511 601004290 /nfs/dbraw/zinc/00/42/90/601004290.db2.gz RVLHYLKWAXKATP-SNVBAGLBSA-N -1 0 319.407 3.664 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000829245965 601008497 /nfs/dbraw/zinc/00/84/97/601008497.db2.gz VCJMGYDWJHVCJY-SWLSCSKDSA-N -1 0 304.390 3.817 20 0 DHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000828232200 601010349 /nfs/dbraw/zinc/01/03/49/601010349.db2.gz DBCQEJUYVWWJMN-MNOVXSKESA-N -1 0 308.353 3.566 20 0 DHADRM Cc1cccnc1[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)C(C)C ZINC000832983576 601011419 /nfs/dbraw/zinc/01/14/19/601011419.db2.gz LAPCGNFIAVHGHO-RDJZCZTQSA-N -1 0 316.376 3.642 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000833290229 601021569 /nfs/dbraw/zinc/02/15/69/601021569.db2.gz QARSLRJJMZKNTM-YWPYICTPSA-N -1 0 317.389 3.867 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000739891907 601022435 /nfs/dbraw/zinc/02/24/35/601022435.db2.gz MBOSGEKUYGATAX-HNNXBMFYSA-N -1 0 324.376 3.729 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)/C=C/c1ccc(Cl)s1 ZINC000739891504 601024125 /nfs/dbraw/zinc/02/41/25/601024125.db2.gz HQFOHWKZEJNBCQ-SOFGYWHQSA-N -1 0 322.769 3.647 20 0 DHADRM Cc1cc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832895181 601039265 /nfs/dbraw/zinc/03/92/65/601039265.db2.gz UHDWFWWGRIOPND-AAEUAGOBSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736777735 601041633 /nfs/dbraw/zinc/04/16/33/601041633.db2.gz CSNWFCYEKHLSMX-QWRGUYRKSA-N -1 0 322.430 3.553 20 0 DHADRM C[C@H]1CCC[C@@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000736776561 601041836 /nfs/dbraw/zinc/04/18/36/601041836.db2.gz WBGAJUTTYPEAIA-WDEREUQCSA-N -1 0 322.430 3.553 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CCCCC1 ZINC000322384456 601046907 /nfs/dbraw/zinc/04/69/07/601046907.db2.gz HWKCLEDWEQAMIJ-CYBMUJFWSA-N -1 0 318.417 3.794 20 0 DHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828740030 601051678 /nfs/dbraw/zinc/05/16/78/601051678.db2.gz UUFOIKKYKGCTEI-STQMWFEESA-N -1 0 321.421 3.743 20 0 DHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000088302577 601055095 /nfs/dbraw/zinc/05/50/95/601055095.db2.gz SNOSUTYINALTCO-UWVGGRQHSA-N -1 0 312.797 3.984 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000307801563 601055396 /nfs/dbraw/zinc/05/53/96/601055396.db2.gz DSUJODISPUDGPC-ZDUSSCGKSA-N -1 0 304.390 3.593 20 0 DHADRM Cc1ccc2c(CCC(=O)Nc3ccc(C(=O)[O-])cc3)c[nH]c2c1 ZINC000832961068 601058603 /nfs/dbraw/zinc/05/86/03/601058603.db2.gz XBYIYLRDAGRAHM-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828603876 601060825 /nfs/dbraw/zinc/06/08/25/601060825.db2.gz QHSHSHHCFPETRZ-BBRMVZONSA-N -1 0 316.328 3.688 20 0 DHADRM COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[O-])CCO2 ZINC000738073053 601064178 /nfs/dbraw/zinc/06/41/78/601064178.db2.gz AHFKHNSVMLCVPE-INIZCTEOSA-N -1 0 313.353 3.699 20 0 DHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000390984540 601091372 /nfs/dbraw/zinc/09/13/72/601091372.db2.gz XCZMYKMXEZMWHI-DOMZBBRYSA-N -1 0 318.417 3.749 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000390947775 601094096 /nfs/dbraw/zinc/09/40/96/601094096.db2.gz UQLOPZOBRWBSMX-UHFFFAOYSA-N -1 0 318.417 3.893 20 0 DHADRM CN(CC1CCCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321277440 601096850 /nfs/dbraw/zinc/09/68/50/601096850.db2.gz MZBWPJRZZGWKNW-UHFFFAOYSA-N -1 0 318.417 3.703 20 0 DHADRM C/C(=C/CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000736120630 601098017 /nfs/dbraw/zinc/09/80/17/601098017.db2.gz BKXNBWZZZRQKEK-VURMDHGXSA-N -1 0 310.762 3.513 20 0 DHADRM C/C(=C\CSc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000736122801 601099759 /nfs/dbraw/zinc/09/97/59/601099759.db2.gz ZIHXZQKAPPZHCW-SOFGYWHQSA-N -1 0 310.762 3.513 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000833120406 601127931 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O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000740561502 603149453 /nfs/dbraw/zinc/14/94/53/603149453.db2.gz CVYOYVUPLMKOHZ-KBPBESRZSA-N -1 0 312.369 3.605 20 0 DHADRM CC(C)c1ccccc1OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738876884 603152598 /nfs/dbraw/zinc/15/25/98/603152598.db2.gz NZMNJVFFUBLANB-CHWSQXEVSA-N -1 0 305.374 3.542 20 0 DHADRM CCN(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000739377698 603166068 /nfs/dbraw/zinc/16/60/68/603166068.db2.gz LRPMIUVPVDYQJF-DGCLKSJQSA-N -1 0 324.808 3.519 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000825414924 603172498 /nfs/dbraw/zinc/17/24/98/603172498.db2.gz CBYCKKNMXLTEKZ-SJKOYZFVSA-N -1 0 324.380 3.684 20 0 DHADRM COc1ccc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000829389344 603180049 /nfs/dbraw/zinc/18/00/49/603180049.db2.gz JRZLXOIDFAUPDU-ZDUSSCGKSA-N -1 0 314.385 3.944 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C=C2CCCCC2)cc1 ZINC000825417125 603182336 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O=C([O-])Nc1ccc(C(=O)NC2CCCCCC2)c(Cl)c1 ZINC000740698470 603201171 /nfs/dbraw/zinc/20/11/71/603201171.db2.gz MAYORRVEMYNPNI-UHFFFAOYSA-N -1 0 310.781 3.883 20 0 DHADRM C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000826042778 603202028 /nfs/dbraw/zinc/20/20/28/603202028.db2.gz SKKCEGANTHKXKQ-LRDDRELGSA-N -1 0 310.353 3.610 20 0 DHADRM C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000825989774 603202133 /nfs/dbraw/zinc/20/21/33/603202133.db2.gz YPFMQCGRZOSGAV-ACJLOTCBSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(Nc2ncnc3ccsc32)cc1 ZINC000825453873 603206308 /nfs/dbraw/zinc/20/63/08/603206308.db2.gz NNUAYQNLENQCST-VIFPVBQESA-N -1 0 314.370 3.764 20 0 DHADRM CCSc1cccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000739519333 603206854 /nfs/dbraw/zinc/20/68/54/603206854.db2.gz STHYOYHNARIEBZ-NWDGAFQWSA-N -1 0 322.430 3.564 20 0 DHADRM CCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827440008 603211256 /nfs/dbraw/zinc/21/12/56/603211256.db2.gz 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603265096 /nfs/dbraw/zinc/26/50/96/603265096.db2.gz LNENJIAQVIMJAX-JKSUJKDBSA-N -1 0 316.401 3.609 20 0 DHADRM Cc1cc(C)cc(NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740065458 603325329 /nfs/dbraw/zinc/32/53/29/603325329.db2.gz BSHOWQBJWDNOJK-UHFFFAOYSA-N -1 0 313.357 3.715 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826736724 603368935 /nfs/dbraw/zinc/36/89/35/603368935.db2.gz WCQQOJPUFMJBBJ-RYUDHWBXSA-N -1 0 307.394 3.668 20 0 DHADRM CCCCN(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000826830659 603373144 /nfs/dbraw/zinc/37/31/44/603373144.db2.gz ROWSTPCQZHUVAR-LBPRGKRZSA-N -1 0 319.405 3.812 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825426730 603375648 /nfs/dbraw/zinc/37/56/48/603375648.db2.gz IVPUSCOJBFEBLN-SWLSCSKDSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000825426606 603379885 /nfs/dbraw/zinc/37/98/85/603379885.db2.gz HGUAKHMVPBFPIV-RYUDHWBXSA-N -1 0 319.405 3.715 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824231481 603387320 /nfs/dbraw/zinc/38/73/20/603387320.db2.gz JFAPBHRGVNVIRS-CHWSQXEVSA-N -1 0 321.421 3.961 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736761709 603392362 /nfs/dbraw/zinc/39/23/62/603392362.db2.gz PJHGACSAVZWNEN-XJKSGUPXSA-N -1 0 324.380 3.795 20 0 DHADRM CCCCC1CCC(NC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000826814530 603408619 /nfs/dbraw/zinc/40/86/19/603408619.db2.gz NDWZDYXDRUUDBJ-UHFFFAOYSA-N -1 0 322.405 3.526 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739297616 603430697 /nfs/dbraw/zinc/43/06/97/603430697.db2.gz BQGKYFHVPKRSQI-ZDUSSCGKSA-N -1 0 304.390 3.734 20 0 DHADRM Cc1cccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1C ZINC000740163119 603431052 /nfs/dbraw/zinc/43/10/52/603431052.db2.gz UNKAVUKSCKOXKA-UHFFFAOYSA-N -1 0 324.380 3.838 20 0 DHADRM C[C@H]1CCC[C@H](C(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739089811 603431506 /nfs/dbraw/zinc/43/15/06/603431506.db2.gz 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603509936 /nfs/dbraw/zinc/50/99/36/603509936.db2.gz KNFMLCFIYOWZEX-VIFPVBQESA-N -1 0 308.359 3.519 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1NC(=O)[O-] ZINC000830230830 603525764 /nfs/dbraw/zinc/52/57/64/603525764.db2.gz SNZWLECYCOLGIX-UHFFFAOYSA-N -1 0 324.258 3.755 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000825779031 603529108 /nfs/dbraw/zinc/52/91/08/603529108.db2.gz VYBPYBOXHJFDRR-GUYCJALGSA-N -1 0 324.380 3.795 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1NC(=O)[O-] ZINC000830186446 603644975 /nfs/dbraw/zinc/64/49/75/603644975.db2.gz IBTSZYSXJOQSDS-ZDUSSCGKSA-N -1 0 304.390 3.593 20 0 DHADRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000736659719 603782815 /nfs/dbraw/zinc/78/28/15/603782815.db2.gz WHCUYGVLTLRNHU-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM CCC[C@H]1CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000826774925 603879303 /nfs/dbraw/zinc/87/93/03/603879303.db2.gz LOZCIUHBKJSPOP-NSHDSACASA-N -1 0 308.353 3.568 20 0 DHADRM 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ZINC000828869605 604814573 /nfs/dbraw/zinc/81/45/73/604814573.db2.gz ASAFUDLXYYFGTF-UHFFFAOYSA-N -1 0 302.378 3.946 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)C2CCC(C)(C)CC2)cc1 ZINC000830507482 604814898 /nfs/dbraw/zinc/81/48/98/604814898.db2.gz KVIPDNASIXEUTD-UHFFFAOYSA-N -1 0 304.390 3.956 20 0 DHADRM CC1(C)CCC(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000828060193 604816578 /nfs/dbraw/zinc/81/65/78/604816578.db2.gz KMFHPXPKTBNBER-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1F ZINC000833157857 604817786 /nfs/dbraw/zinc/81/77/86/604817786.db2.gz BGIXGHWEDUCTPD-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2cccnc12 ZINC000832947950 604819927 /nfs/dbraw/zinc/81/99/27/604819927.db2.gz MPXNCMUKZRNIKA-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CC1(C)CCC(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000828060560 604824043 /nfs/dbraw/zinc/82/40/43/604824043.db2.gz VJCHQJRIUMZSMO-AWEZNQCLSA-N -1 0 315.413 3.808 20 0 DHADRM 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/nfs/dbraw/zinc/32/27/05/605322705.db2.gz ILWBLCDPBNAGRS-MRXNPFEDSA-N -1 0 324.380 3.542 20 0 DHADRM CC(C)OCCCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC000833503556 605333330 /nfs/dbraw/zinc/33/33/30/605333330.db2.gz HHTXKUIVLOEYCN-UHFFFAOYSA-N -1 0 316.353 3.649 20 0 DHADRM COc1ccccc1CS[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833736355 605336031 /nfs/dbraw/zinc/33/60/31/605336031.db2.gz GWNPKRXSFWOVEN-MRXNPFEDSA-N -1 0 320.385 3.763 20 0 DHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833608669 605366948 /nfs/dbraw/zinc/36/69/48/605366948.db2.gz OIYQKTUGZYGWRP-RISCZKNCSA-N -1 0 307.415 3.628 20 0 DHADRM Cc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)cc1NC(=O)[O-] ZINC000833902895 605388152 /nfs/dbraw/zinc/38/81/52/605388152.db2.gz SARGPWCMXCWJHW-CYBMUJFWSA-N -1 0 302.374 3.513 20 0 DHADRM Cc1nc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709586 605480936 /nfs/dbraw/zinc/48/09/36/605480936.db2.gz MRVVAKPGHCFDKI-QWRGUYRKSA-N -1 0 319.430 3.631 20 0 DHADRM CC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833423764 605487501 /nfs/dbraw/zinc/48/75/01/605487501.db2.gz XNYPFUGFGWFFKK-LBPRGKRZSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccnc2ccc(Cl)cc21 ZINC000825845767 605491423 /nfs/dbraw/zinc/49/14/23/605491423.db2.gz QXQUMEFCRCZGJL-PWSUYJOCSA-N -1 0 319.792 3.513 20 0 DHADRM CC(C)CCC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833481648 605493827 /nfs/dbraw/zinc/49/38/27/605493827.db2.gz WHAQQXIRTPJAOO-CYBMUJFWSA-N -1 0 302.729 3.584 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cncc2ccccc21 ZINC000834274881 605545247 /nfs/dbraw/zinc/54/52/47/605545247.db2.gz ZADZKVCWGCMHFG-UHFFFAOYSA-N -1 0 321.336 3.506 20 0 DHADRM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1NC(=O)[O-] ZINC000829914201 605590874 /nfs/dbraw/zinc/59/08/74/605590874.db2.gz BHHHEQBIDHETMQ-QGZVFWFLSA-N -1 0 324.380 3.844 20 0 DHADRM C[C@H]1CC(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C[C@H](C)C1 ZINC000833590426 605607892 /nfs/dbraw/zinc/60/78/92/605607892.db2.gz QCTNVFBGWCLRJR-UMVBOHGHSA-N -1 0 315.413 3.664 20 0 DHADRM C[C@H]1C[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC000833590845 605628976 /nfs/dbraw/zinc/62/89/76/605628976.db2.gz SQRJQMSHAVKNFN-NHIYQJMISA-N -1 0 315.413 3.664 20 0 DHADRM COc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c(C)c1 ZINC000829474226 605669655 /nfs/dbraw/zinc/66/96/55/605669655.db2.gz BUAQPMAQDXMZDP-UHFFFAOYSA-N -1 0 314.341 3.654 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000683314244 605706793 /nfs/dbraw/zinc/70/67/93/605706793.db2.gz HOWUIBQZVINJJX-GHMZBOCLSA-N -1 0 319.426 3.898 20 0 DHADRM CCCCCC[C@H](C)CC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000826819117 605750946 /nfs/dbraw/zinc/75/09/46/605750946.db2.gz AYELBUMIBKAVMK-SOUVJXGZSA-N -1 0 312.454 3.630 20 0 DHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000834265670 605756641 /nfs/dbraw/zinc/75/66/41/605756641.db2.gz PPVJDSVXUGBNNZ-QGZVFWFLSA-N -1 0 324.380 3.683 20 0 DHADRM CC1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)CCCCCC1 ZINC000833554414 605789857 /nfs/dbraw/zinc/78/98/57/605789857.db2.gz YKDOXLWOAUZKOQ-UHFFFAOYSA-N -1 0 324.446 3.849 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000833776672 605804959 /nfs/dbraw/zinc/80/49/59/605804959.db2.gz MSTXKMWWLZOWQR-UONOGXRCSA-N -1 0 320.360 3.575 20 0 DHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000834266030 605809761 /nfs/dbraw/zinc/80/97/61/605809761.db2.gz KAJNXMQAPXLANE-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000826736396 605849871 /nfs/dbraw/zinc/84/98/71/605849871.db2.gz ULOODUBKUVZIPT-FVQBIDKESA-N -1 0 324.465 3.630 20 0 DHADRM Cc1ccc(-c2nc(CN3CCCCC[C@H]3C(=O)[O-])cs2)o1 ZINC000833746678 605851198 /nfs/dbraw/zinc/85/11/98/605851198.db2.gz NPAISMFNBHATKF-ZDUSSCGKSA-N -1 0 320.414 3.541 20 0 DHADRM C[C@H](C(=O)Nc1ccccc1NC(=O)[O-])c1c(F)cccc1F ZINC000833791036 605922484 /nfs/dbraw/zinc/92/24/84/605922484.db2.gz SPTOFWIKZKQUQE-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000833902688 605977569 /nfs/dbraw/zinc/97/75/69/605977569.db2.gz MCZSRJGUIQTKCX-NOLJZWGESA-N -1 0 316.401 3.736 20 0 DHADRM O=C([O-])N1CCC(CCNc2cccc(-c3ncco3)c2)CC1 ZINC000834076083 605996620 /nfs/dbraw/zinc/99/66/20/605996620.db2.gz VFMQNEPLOKQCOS-UHFFFAOYSA-N -1 0 315.373 3.534 20 0 DHADRM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccccc2NC(=O)[O-])C1 ZINC000833839105 606058447 /nfs/dbraw/zinc/05/84/47/606058447.db2.gz RJCFADGDHSAFIB-ZDUSSCGKSA-N -1 0 324.380 3.544 20 0 DHADRM Cc1ccncc1C=Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000833909595 606076107 /nfs/dbraw/zinc/07/61/07/606076107.db2.gz DITAWZCCKCVNEL-WAYWQWQTSA-N -1 0 322.324 3.700 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)OC/C=C\c1ccccc1 ZINC000834273435 606088141 /nfs/dbraw/zinc/08/81/41/606088141.db2.gz AZWLHCTYLWOWIJ-TWGQIWQCSA-N -1 0 311.337 3.576 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)O[C@H]1CCc2ccccc21 ZINC000834274219 606091915 /nfs/dbraw/zinc/09/19/15/606091915.db2.gz GGCHZGBXBFVTKP-INIZCTEOSA-N -1 0 311.337 3.550 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC001600109305 970764922 /nfs/dbraw/zinc/76/49/22/970764922.db2.gz PQWWUDHCFVGJLQ-UHFFFAOYSA-N -1 0 323.392 3.545 20 0 DHADRM CC[C@@](NC(=O)C[C@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262035332 939058444 /nfs/dbraw/zinc/05/84/44/939058444.db2.gz HDSUOUKFRYPKTL-SJCJKPOMSA-N -1 0 321.804 3.502 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000761391754 939065679 /nfs/dbraw/zinc/06/56/79/939065679.db2.gz ORWRKZHMSSDZDT-QXMHVHEDSA-N -1 0 321.804 3.647 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000761392415 939065869 /nfs/dbraw/zinc/06/58/69/939065869.db2.gz RCNUPLHZPNIXPN-QXMHVHEDSA-N -1 0 321.804 3.647 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000776665627 939103291 /nfs/dbraw/zinc/10/32/91/939103291.db2.gz DFAZDCIGVRXIEU-BLLLJJGKSA-N -1 0 309.381 3.674 20 0 DHADRM O=C([O-])C1(NC(=O)N(c2ccccc2)c2ccccc2)CCCC1 ZINC000282363369 939117338 /nfs/dbraw/zinc/11/73/38/939117338.db2.gz BJLSCJWARCNQAK-UHFFFAOYSA-N -1 0 324.380 3.932 20 0 DHADRM CC(C)c1ccccc1NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000320303811 939123336 /nfs/dbraw/zinc/12/33/36/939123336.db2.gz BNXYYUGJVYJVQH-MRXNPFEDSA-N -1 0 318.417 3.965 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000386078543 939132711 /nfs/dbraw/zinc/13/27/11/939132711.db2.gz KKMKGBSRTUSUSB-UHFFFAOYSA-N -1 0 324.808 3.948 20 0 DHADRM CC[C@](NC(=O)Nc1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000565517744 939349128 /nfs/dbraw/zinc/34/91/28/939349128.db2.gz FCVDXOAKEQHUCJ-GOSISDBHSA-N -1 0 312.369 3.507 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccsc1 ZINC000574101636 939723978 /nfs/dbraw/zinc/72/39/78/939723978.db2.gz ZWJDPRJMNHIMNC-BHPKHCPMSA-N -1 0 321.442 3.597 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000576179684 939737150 /nfs/dbraw/zinc/73/71/50/939737150.db2.gz BPLIHEGLYLXQCQ-AWEZNQCLSA-N -1 0 318.398 3.621 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001320663501 939829830 /nfs/dbraw/zinc/82/98/30/939829830.db2.gz KFUHEJWTMWFVPM-MLGOLLRUSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663040948 939851050 /nfs/dbraw/zinc/85/10/50/939851050.db2.gz UWMQDFLXTJQKOD-MRXNPFEDSA-N -1 0 319.401 3.654 20 0 DHADRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)sc2c1CCCC2 ZINC000663064752 939852086 /nfs/dbraw/zinc/85/20/86/939852086.db2.gz PGNFXFUJEDTBMG-AWEZNQCLSA-N -1 0 321.442 3.765 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)CSC(F)(F)F)ccc1C(=O)[O-] ZINC001600249678 970782208 /nfs/dbraw/zinc/78/22/08/970782208.db2.gz KLTCZZKVMMZCAM-QMMMGPOBSA-N -1 0 321.320 3.521 20 0 DHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CCc2ccccc21 ZINC000321644014 970792764 /nfs/dbraw/zinc/79/27/64/970792764.db2.gz PVKHPVXZLVTUNX-INIZCTEOSA-N -1 0 315.413 3.558 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)/C=C\c1cccnc1 ZINC000324124301 971086635 /nfs/dbraw/zinc/08/66/35/971086635.db2.gz QPQNJVWRISMCBY-FPLPWBNLSA-N -1 0 318.332 3.585 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001602736032 971419250 /nfs/dbraw/zinc/41/92/50/971419250.db2.gz BKPKUHSOUKHVHD-LEMSZGRYSA-N -1 0 307.434 3.613 20 0 DHADRM CC[C@@H](CNc1nc2cc(Cl)cc(Cl)c2o1)C(=O)[O-] ZINC001589555160 948784363 /nfs/dbraw/zinc/78/43/63/948784363.db2.gz IPUAWBWMXAJBJW-LURJTMIESA-N -1 0 303.145 3.657 20 0 DHADRM CC[C@@H](CNc1nc2c(cc(Cl)cc2F)s1)C(=O)[O-] ZINC001589555229 948785958 /nfs/dbraw/zinc/78/59/58/948785958.db2.gz MDDJILYOFHMCJQ-LURJTMIESA-N -1 0 302.758 3.612 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1cc2c(s1)CCCC2 ZINC000020559456 948793061 /nfs/dbraw/zinc/79/30/61/948793061.db2.gz ADRLKDZQVGOTGH-UHFFFAOYSA-N -1 0 307.396 3.639 20 0 DHADRM CCC(F)(F)c1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC001589561854 948824279 /nfs/dbraw/zinc/82/42/79/948824279.db2.gz JXOXPLNQHZERML-UHFFFAOYSA-N -1 0 314.332 3.565 20 0 DHADRM O=C([O-])C[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000038027278 948849981 /nfs/dbraw/zinc/84/99/81/948849981.db2.gz BQUZQIUEISMWOT-SECBINFHSA-N -1 0 322.714 3.587 20 0 DHADRM CC[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001589565341 948860235 /nfs/dbraw/zinc/86/02/35/948860235.db2.gz VCKJURZJDHIFLN-IAGOWNOFSA-N -1 0 311.381 3.518 20 0 DHADRM CCC(CC)(NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000342555764 971518591 /nfs/dbraw/zinc/51/85/91/971518591.db2.gz CNJWWVIGVGMHDB-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM Cc1cc(NC(=O)N[C@@H](C)c2ccsc2)ccc1C(=O)[O-] ZINC000061370693 948945953 /nfs/dbraw/zinc/94/59/53/948945953.db2.gz PAISUGVXYWVJRV-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM CCCc1ccc(CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000062459771 948954116 /nfs/dbraw/zinc/95/41/16/948954116.db2.gz LVNQOSAUABZUQV-KSSFIOAISA-N -1 0 319.445 3.577 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1sc2ccccc2c1Cl ZINC000079475905 949004936 /nfs/dbraw/zinc/00/49/36/949004936.db2.gz GPQCUMOXEGUOJO-OAHLLOKOSA-N -1 0 323.801 3.634 20 0 DHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C3CC3)cc2)CCCC1 ZINC000358299158 971531464 /nfs/dbraw/zinc/53/14/64/971531464.db2.gz VPVHKMBZRVQCRS-UHFFFAOYSA-N -1 0 315.413 3.605 20 0 DHADRM CCc1cccc(C)c1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000358615125 971532206 /nfs/dbraw/zinc/53/22/06/971532206.db2.gz UXPOFSKABNHOER-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000362339462 971535221 /nfs/dbraw/zinc/53/52/21/971535221.db2.gz KUOLEIQOXCJMEV-GOSISDBHSA-N -1 0 303.402 3.717 20 0 DHADRM CC(C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000087507650 949089308 /nfs/dbraw/zinc/08/93/08/949089308.db2.gz GQBBQVJVMKQEFK-MRVPVSSYSA-N -1 0 310.703 3.523 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001589592363 949103998 /nfs/dbraw/zinc/10/39/98/949103998.db2.gz XJXZXPSATURDLJ-MSOLQXFVSA-N -1 0 307.434 3.616 20 0 DHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(C)c1 ZINC000180485991 1013092030 /nfs/dbraw/zinc/09/20/30/1013092030.db2.gz PGGRIHHKUGJROS-UHFFFAOYSA-N -1 0 323.389 3.642 20 0 DHADRM CCC1(CC)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC001589612677 949340639 /nfs/dbraw/zinc/34/06/39/949340639.db2.gz YDRDPKGBNPQPAS-UHFFFAOYSA-N -1 0 312.454 3.536 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)ccc2Cl)cc1 ZINC001595233783 949378958 /nfs/dbraw/zinc/37/89/58/949378958.db2.gz PQGBKLMUFQKDLH-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2cscc2C(F)F)cc1 ZINC001595233876 949379371 /nfs/dbraw/zinc/37/93/71/949379371.db2.gz WASAWYPIFYHRTK-UHFFFAOYSA-N -1 0 312.293 3.741 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCC(C3CCC3)CC2)c(F)c1 ZINC001595235414 949387735 /nfs/dbraw/zinc/38/77/35/949387735.db2.gz RBMSFXYNLDEXJC-UHFFFAOYSA-N -1 0 320.364 3.568 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](C3CCCC3)C2)c(F)c1 ZINC001595235547 949389725 /nfs/dbraw/zinc/38/97/25/949389725.db2.gz UAWFHPKXHNTTMC-ZDUSSCGKSA-N -1 0 320.364 3.568 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2sccc2s1)C(=O)[O-] ZINC000165010822 949419456 /nfs/dbraw/zinc/41/94/56/949419456.db2.gz JMESUKVXTLTKCC-UHFFFAOYSA-N -1 0 311.428 3.584 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001595243018 949486086 /nfs/dbraw/zinc/48/60/86/949486086.db2.gz JJRVWXYMMRHXBI-HYVNUMGLSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1cccc(CNc2nc(Cl)nc3ccccc32)c1 ZINC001595244814 949505879 /nfs/dbraw/zinc/50/58/79/949505879.db2.gz RQEJWZHGCNVBCS-UHFFFAOYSA-N -1 0 313.744 3.594 20 0 DHADRM CCC[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001589630996 949538092 /nfs/dbraw/zinc/53/80/92/949538092.db2.gz VWAXJOONJZOWFE-BYCMXARLSA-N -1 0 323.820 3.688 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)n[nH]1 ZINC001589631469 949548419 /nfs/dbraw/zinc/54/84/19/949548419.db2.gz KEVFQWALJLKGKW-GFCCVEGCSA-N -1 0 321.421 3.677 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001595255366 949595593 /nfs/dbraw/zinc/59/55/93/949595593.db2.gz QATOPMQNBWJFBN-UHFFFAOYSA-N -1 0 313.328 3.656 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589637603 949631190 /nfs/dbraw/zinc/63/11/90/949631190.db2.gz LWIXAKAETOMNID-HUUCEWRRSA-N -1 0 312.454 3.537 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589637714 949633110 /nfs/dbraw/zinc/63/31/10/949633110.db2.gz PKCRJQQMPBRHAM-RKVPGOIHSA-N -1 0 307.434 3.520 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589638046 949638990 /nfs/dbraw/zinc/63/89/90/949638990.db2.gz WIHJBGFYZQZBGY-OAGGEKHMSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(C)C ZINC001589639210 949651541 /nfs/dbraw/zinc/65/15/41/949651541.db2.gz OMGSJUQPRQSZMI-APWZRJJASA-N -1 0 319.445 3.608 20 0 DHADRM CCCCC[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C(C)(C)C ZINC001589641802 949697256 /nfs/dbraw/zinc/69/72/56/949697256.db2.gz BGJZMORUVQMFAX-KBPBESRZSA-N -1 0 314.470 3.637 20 0 DHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001595262850 949704173 /nfs/dbraw/zinc/70/41/73/949704173.db2.gz FEGHCPAQIVVMEK-HZPDHXFCSA-N -1 0 324.380 3.692 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC001589648342 949764143 /nfs/dbraw/zinc/76/41/43/949764143.db2.gz YBPCPIIZVCZIQH-DZGCQCFKSA-N -1 0 318.417 3.601 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001589665780 949892939 /nfs/dbraw/zinc/89/29/39/949892939.db2.gz UISZOZKBINFYOG-UHFFFAOYSA-N -1 0 324.591 3.584 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2cc(Cl)sc2Cl)C1 ZINC001595276650 949918755 /nfs/dbraw/zinc/91/87/55/949918755.db2.gz KCXSSKDTORFFCF-RQJHMYQMSA-N -1 0 323.197 3.599 20 0 DHADRM CCCN(Cc1ccccc1F)C(=O)c1cccc(C(=O)[O-])c1 ZINC001589673452 949956495 /nfs/dbraw/zinc/95/64/95/949956495.db2.gz GQEPVFSQOHQBII-UHFFFAOYSA-N -1 0 315.344 3.576 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237523198 949964347 /nfs/dbraw/zinc/96/43/47/949964347.db2.gz KFSNAQFPCLXUQA-CVEARBPZSA-N -1 0 317.429 3.735 20 0 DHADRM Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237739818 949976551 /nfs/dbraw/zinc/97/65/51/949976551.db2.gz SWYLLDSDOUWTKM-CYBMUJFWSA-N -1 0 315.369 3.601 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001589691728 950124134 /nfs/dbraw/zinc/12/41/34/950124134.db2.gz UXTNUJYDWLZVOY-LBPRGKRZSA-N -1 0 311.447 3.710 20 0 DHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001589698822 950209189 /nfs/dbraw/zinc/20/91/89/950209189.db2.gz HBDSPQRQMCOTAX-NTMALXAHSA-N -1 0 319.744 3.698 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263030924 950222637 /nfs/dbraw/zinc/22/26/37/950222637.db2.gz KOBFBTGNCPSHQL-GFCCVEGCSA-N -1 0 306.406 3.559 20 0 DHADRM CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(C)cc1 ZINC000263086048 950255389 /nfs/dbraw/zinc/25/53/89/950255389.db2.gz BSNBMJGDCGBPOU-BFYDXBDKSA-N -1 0 317.429 3.590 20 0 DHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000263543639 950507340 /nfs/dbraw/zinc/50/73/40/950507340.db2.gz FKOAKNQYQHQYLI-XJKSGUPXSA-N -1 0 303.402 3.584 20 0 DHADRM Cc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1C ZINC000314892538 950831717 /nfs/dbraw/zinc/83/17/17/950831717.db2.gz MANUFJFBRPJVNN-AWEZNQCLSA-N -1 0 304.390 3.555 20 0 DHADRM O=C([O-])/C=C\c1cc(C(=O)OCc2cccc(C(F)F)c2)co1 ZINC001594972500 950870898 /nfs/dbraw/zinc/87/08/98/950870898.db2.gz WCKQHQTUJJBZMA-PLNGDYQASA-N -1 0 322.263 3.672 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001602854379 971703294 /nfs/dbraw/zinc/70/32/94/971703294.db2.gz GQFMXRVXDAXCTA-UONOGXRCSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c2ccccc21 ZINC001602854479 971703863 /nfs/dbraw/zinc/70/38/63/971703863.db2.gz LGLJNQVTOBUAFG-BFUOFWGJSA-N -1 0 315.413 3.664 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000320282614 950980076 /nfs/dbraw/zinc/98/00/76/950980076.db2.gz OGDXMJRBUVXODM-ZDUSSCGKSA-N -1 0 322.405 3.630 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C(C)(C)Cc1ccccc1)C(=O)[O-] ZINC001602859624 971711967 /nfs/dbraw/zinc/71/19/67/971711967.db2.gz OLUFYDPONKVZCA-OAHLLOKOSA-N -1 0 319.445 3.651 20 0 DHADRM CCOCc1ccc(NC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001591986568 951257088 /nfs/dbraw/zinc/25/70/88/951257088.db2.gz HAQYERQJIRQTFQ-UHFFFAOYSA-N -1 0 314.341 3.565 20 0 DHADRM CCOc1ccc([C@H](C)OC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001592815151 951364976 /nfs/dbraw/zinc/36/49/76/951364976.db2.gz ANIJKZZRIHCMIE-BLLLJJGKSA-N -1 0 320.385 3.581 20 0 DHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000517981826 1013110936 /nfs/dbraw/zinc/11/09/36/1013110936.db2.gz NPUGVHJMNPLIMQ-SNVBAGLBSA-N -1 0 323.751 3.899 20 0 DHADRM O=C([O-])Cc1cccc(Nc2nc(-c3ccccc3)ns2)c1 ZINC001595138759 952069953 /nfs/dbraw/zinc/06/99/53/952069953.db2.gz YYHBKIRKISXTDO-UHFFFAOYSA-N -1 0 311.366 3.576 20 0 DHADRM CC(C)(C)OCc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001602917470 971876494 /nfs/dbraw/zinc/87/64/94/971876494.db2.gz XTBYJLZLAJVUEX-CQSZACIVSA-N -1 0 321.417 3.687 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001602922875 971882750 /nfs/dbraw/zinc/88/27/50/971882750.db2.gz DBVFBVQTTDYFSY-UHFFFAOYSA-N -1 0 311.381 3.612 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC001593610280 953466386 /nfs/dbraw/zinc/46/63/86/953466386.db2.gz IVXDPVUAHGVPNE-YLNIJEASSA-N -1 0 309.450 3.621 20 0 DHADRM CC[C@H](C)[C@H](Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC001593615169 953497764 /nfs/dbraw/zinc/49/77/64/953497764.db2.gz WLZKDKDXRMPHNM-RCOVLWMOSA-N -1 0 310.703 3.665 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C)C1 ZINC001589283980 953540500 /nfs/dbraw/zinc/54/05/00/953540500.db2.gz AOYNSCAIOSATLO-GDNZZTSVSA-N -1 0 322.380 3.718 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])C[C@@H](C)C1 ZINC001589285242 953558613 /nfs/dbraw/zinc/55/86/13/953558613.db2.gz UEQSNVQIDIGWIA-WDNDVIMCSA-N -1 0 318.417 3.508 20 0 DHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593638598 953629519 /nfs/dbraw/zinc/62/95/19/953629519.db2.gz YBOYHJBDYIZDKQ-ZDUSSCGKSA-N -1 0 324.808 3.546 20 0 DHADRM Cc1c(Cl)cc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000566952456 953630096 /nfs/dbraw/zinc/63/00/96/953630096.db2.gz LMXBVODCRUEJPF-NSHDSACASA-N -1 0 319.188 3.533 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001589298101 953663177 /nfs/dbraw/zinc/66/31/77/953663177.db2.gz GNHMMQFPHQUGNY-STQMWFEESA-N -1 0 309.450 3.551 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC001594785354 953663969 /nfs/dbraw/zinc/66/39/69/953663969.db2.gz YCFSDKADEFIVSZ-LLLHUVSDSA-N -1 0 315.413 3.535 20 0 DHADRM CCc1ccccc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593643645 953667102 /nfs/dbraw/zinc/66/71/02/953667102.db2.gz GTNZHRSDLQHIMQ-DOTOQJQBSA-N -1 0 324.380 3.684 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(C3CCC3)c2)C1 ZINC000573074283 953670921 /nfs/dbraw/zinc/67/09/21/953670921.db2.gz ONPZMESEPOQZHS-ZDUSSCGKSA-N -1 0 316.401 3.673 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(C)c1Cl ZINC000578608793 953703429 /nfs/dbraw/zinc/70/34/29/953703429.db2.gz QPZNGVKMXJPBKQ-LBPRGKRZSA-N -1 0 324.808 3.675 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001602961264 971951591 /nfs/dbraw/zinc/95/15/91/971951591.db2.gz UHYHLZCFCDPFOE-HIFRSBDPSA-N -1 0 303.402 3.520 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Nc2cccc3cc[nH]c32)c(F)c1 ZINC001594803958 953765728 /nfs/dbraw/zinc/76/57/28/953765728.db2.gz GOZVSVRBLIDADE-UHFFFAOYSA-N -1 0 313.288 3.649 20 0 DHADRM CC[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000630158790 953843334 /nfs/dbraw/zinc/84/33/34/953843334.db2.gz VBBDAPOGCZSSAU-GDBMZVCRSA-N -1 0 317.429 3.659 20 0 DHADRM O=C([O-])CCC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000630264469 953849168 /nfs/dbraw/zinc/84/91/68/953849168.db2.gz YJUYLEFAONETSU-AWEZNQCLSA-N -1 0 323.820 3.519 20 0 DHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001593677922 953944285 /nfs/dbraw/zinc/94/42/85/953944285.db2.gz WMNFAXPAOMCYKE-HOTGVXAUSA-N -1 0 317.429 3.601 20 0 DHADRM C[C@@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCc2ccccc21 ZINC000647732428 953970895 /nfs/dbraw/zinc/97/08/95/953970895.db2.gz HGZKKGCQTOWKSM-HXUWFJFHSA-N -1 0 323.392 3.546 20 0 DHADRM Cc1cc(NC(=O)[C@]2(C)CCc3ccccc32)ccc1C(=O)[O-] ZINC000647729028 953971310 /nfs/dbraw/zinc/97/13/10/953971310.db2.gz VEHOEAAOPCGHHN-LJQANCHMSA-N -1 0 309.365 3.536 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 ZINC000647736543 953972790 /nfs/dbraw/zinc/97/27/90/953972790.db2.gz QCRRYOMBSJKOQK-CQSZACIVSA-N -1 0 303.383 3.710 20 0 DHADRM C[C@H]1CCN(C(=O)CCCCC(=O)[O-])c2ccccc2S1 ZINC001589337177 954003682 /nfs/dbraw/zinc/00/36/82/954003682.db2.gz KAJBIBBUXDITMU-LBPRGKRZSA-N -1 0 307.415 3.549 20 0 DHADRM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000652066421 954035114 /nfs/dbraw/zinc/03/51/14/954035114.db2.gz JKEREWCAAZIXQT-WFASDCNBSA-N -1 0 323.820 3.689 20 0 DHADRM 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319.426 3.619 20 0 DHADRM Cc1cc2occ(C(=O)NCc3ccccc3C(=O)[O-])c2cc1C ZINC001594333590 958247269 /nfs/dbraw/zinc/24/72/69/958247269.db2.gz ZJRYDQRMGLYDST-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594080161 958253785 /nfs/dbraw/zinc/25/37/85/958253785.db2.gz QUYCCHXOPBKAJK-UHFFFAOYSA-N -1 0 319.401 3.576 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000105662008 958367933 /nfs/dbraw/zinc/36/79/33/958367933.db2.gz ALWYXTBLSAVJMT-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM COc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC001594093046 958370160 /nfs/dbraw/zinc/37/01/60/958370160.db2.gz RQMXCUPWWDPVQA-MRXNPFEDSA-N -1 0 311.381 3.582 20 0 DHADRM Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(Cl)c1C ZINC001594370676 958541413 /nfs/dbraw/zinc/54/14/13/958541413.db2.gz HZCSSJGJZCMEFX-GFCCVEGCSA-N -1 0 324.808 3.675 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1C ZINC001594370932 958542342 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C[C@@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1cccs1 ZINC001573364694 958617269 /nfs/dbraw/zinc/61/72/69/958617269.db2.gz QLIRYQABHXRDCL-LLVKDONJSA-N -1 0 315.394 3.529 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001588488549 958636137 /nfs/dbraw/zinc/63/61/37/958636137.db2.gz PWHCILICESSTBA-SQFISAMPSA-N -1 0 315.413 3.583 20 0 DHADRM Cc1ccc2c(c1C)N(C(=O)Cc1ccccc1C(=O)[O-])CCC2 ZINC001594382015 958639305 /nfs/dbraw/zinc/63/93/05/958639305.db2.gz MLOGCZNFOAMDMQ-UHFFFAOYSA-N -1 0 323.392 3.524 20 0 DHADRM C[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301266 958696850 /nfs/dbraw/zinc/69/68/50/958696850.db2.gz PIVGWMHKDHTAEA-MFKMUULPSA-N -1 0 322.455 3.557 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)cc2cccnc21 ZINC001594391185 958722719 /nfs/dbraw/zinc/72/27/19/958722719.db2.gz ZAXAWIYGHSVUMJ-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001594392796 958747023 /nfs/dbraw/zinc/74/70/23/958747023.db2.gz 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ZINC001573509874 959089108 /nfs/dbraw/zinc/08/91/08/959089108.db2.gz UGLWDABOAFBGNY-SOFGYWHQSA-N -1 0 307.390 3.568 20 0 DHADRM CC(C)CCOCCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573517668 959111165 /nfs/dbraw/zinc/11/11/65/959111165.db2.gz DFFMWLJSJHWBQJ-MRXNPFEDSA-N -1 0 319.445 3.593 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)C(C)C)C(=O)[O-] ZINC001573525091 959144677 /nfs/dbraw/zinc/14/46/77/959144677.db2.gz YCXBRVSNZRAFFG-IAGOWNOFSA-N -1 0 319.445 3.507 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001594190195 959167989 /nfs/dbraw/zinc/16/79/89/959167989.db2.gz PZBWAURKUQJNRZ-AWEZNQCLSA-N -1 0 313.806 3.501 20 0 DHADRM CC(C)[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588570202 959180203 /nfs/dbraw/zinc/18/02/03/959180203.db2.gz OBYMDFAESGWPTC-SWLSCSKDSA-N -1 0 305.418 3.518 20 0 DHADRM CSc1ccc(N(C)C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001594193942 959183126 /nfs/dbraw/zinc/18/31/26/959183126.db2.gz QOAYSHAWSRVHEQ-UHFFFAOYSA-N -1 0 321.442 3.508 20 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/nfs/dbraw/zinc/53/95/10/959539510.db2.gz AIIHNUDFGNIPRR-XZLDQRQTSA-N -1 0 322.263 3.574 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c(C(C)C)c1 ZINC000191169384 959543299 /nfs/dbraw/zinc/54/32/99/959543299.db2.gz OQJDOCCDQQKLQI-CVEARBPZSA-N -1 0 319.401 3.504 20 0 DHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)CC(C)(C)CC(=O)[O-])C2)c1 ZINC000191684626 959590109 /nfs/dbraw/zinc/59/01/09/959590109.db2.gz YTURDJOGNOSDNW-HNNXBMFYSA-N -1 0 317.429 3.510 20 0 DHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C2)c1 ZINC000191685330 959591513 /nfs/dbraw/zinc/59/15/13/959591513.db2.gz SITNEVQRLLNCEB-QGZVFWFLSA-N -1 0 323.392 3.631 20 0 DHADRM C[C@@H](SCc1nnc(-c2cccc3ccccc32)o1)C(=O)[O-] ZINC001573640917 959608982 /nfs/dbraw/zinc/60/89/82/959608982.db2.gz NWXLBSFZZTYSKU-SNVBAGLBSA-N -1 0 314.366 3.596 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001588631502 959618066 /nfs/dbraw/zinc/61/80/66/959618066.db2.gz LPIYHEZNNZZBPE-HUUCEWRRSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001588632989 959626968 /nfs/dbraw/zinc/62/69/68/959626968.db2.gz CUTXYGPQMOSEJH-HNNXBMFYSA-N -1 0 319.401 3.693 20 0 DHADRM Cc1c2cc(F)ccc2sc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001594253479 959633988 /nfs/dbraw/zinc/63/39/88/959633988.db2.gz CGIIDKTVCLFUFY-SSDOTTSWSA-N -1 0 306.318 3.587 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588644022 959721001 /nfs/dbraw/zinc/72/10/01/959721001.db2.gz XOOGYYSBCPJISR-DZGCQCFKSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000261976454 1013193133 /nfs/dbraw/zinc/19/31/33/1013193133.db2.gz ZPYKGCQKHYCBLF-IBGZPJMESA-N -1 0 317.429 3.557 20 0 DHADRM C[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573700320 959826676 /nfs/dbraw/zinc/82/66/76/959826676.db2.gz DKNHDEJGCUZKJP-WCBMZHEXSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001573711293 959851654 /nfs/dbraw/zinc/85/16/54/959851654.db2.gz KXJYEBBQYVIDAX-YKTARERQSA-N -1 0 321.461 3.622 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC001588658082 960422162 /nfs/dbraw/zinc/42/21/62/960422162.db2.gz QHFLZPYOJHFRPQ-UHFFFAOYSA-N -1 0 318.398 3.682 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC12CCC2 ZINC001573736715 960445947 /nfs/dbraw/zinc/44/59/47/960445947.db2.gz XWXFGCNWUWXBLR-LLVKDONJSA-N -1 0 320.364 3.568 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)c2C(=O)[O-])C1 ZINC001573737681 960458578 /nfs/dbraw/zinc/45/85/78/960458578.db2.gz BVTJZLBWYHIGHI-UKKRHICBSA-N -1 0 319.426 3.556 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001574265776 960578596 /nfs/dbraw/zinc/57/85/96/960578596.db2.gz COJUDWKQLXHQRA-PNDQRGPWSA-N -1 0 324.465 3.534 20 0 DHADRM O=C([O-])c1ccc(F)c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001231458948 960611231 /nfs/dbraw/zinc/61/12/31/960611231.db2.gz QPIJPMAPUDTQHR-UHFFFAOYSA-N -1 0 319.763 3.736 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001573767849 960630788 /nfs/dbraw/zinc/63/07/88/960630788.db2.gz GVUOIKHPOWPYCX-QTVXJSJLSA-N -1 0 321.461 3.599 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)cc2cccnc21 ZINC001255838461 960656788 /nfs/dbraw/zinc/65/67/88/960656788.db2.gz DKOZBCSGANUHKS-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC001573775776 960672281 /nfs/dbraw/zinc/67/22/81/960672281.db2.gz BJXSXARCMQEQIL-GOEBONIOSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1c(Cl)cccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574297822 960703702 /nfs/dbraw/zinc/70/37/02/960703702.db2.gz HUPJRIAZQMHVCF-ZDUSSCGKSA-N -1 0 311.809 3.658 20 0 DHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236689798 960733108 /nfs/dbraw/zinc/73/31/08/960733108.db2.gz VQYSLPBKYKSIRU-QGZVFWFLSA-N -1 0 311.381 3.554 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573791253 960753252 /nfs/dbraw/zinc/75/32/52/960753252.db2.gz JWDWTQBDJRSAFM-LBPRGKRZSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236862446 960780103 /nfs/dbraw/zinc/78/01/03/960780103.db2.gz SAAWEYGSUWBOSM-LLVKDONJSA-N -1 0 322.792 3.680 20 0 DHADRM CC[C@H](CNC(=O)Nc1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001573798475 960799804 /nfs/dbraw/zinc/79/98/04/960799804.db2.gz WIOGCUGPZGKYKJ-GFCCVEGCSA-N -1 0 306.406 3.607 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000237040992 960850337 /nfs/dbraw/zinc/85/03/37/960850337.db2.gz DOWKNHQHLQGPFA-GFCCVEGCSA-N -1 0 315.344 3.747 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574334231 960904610 /nfs/dbraw/zinc/90/46/10/960904610.db2.gz XKTQYLQRJSKHPL-ABAIWWIYSA-N -1 0 308.349 3.629 20 0 DHADRM CSc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000237281158 960904680 /nfs/dbraw/zinc/90/46/80/960904680.db2.gz AEEHELNMMBGASJ-UHFFFAOYSA-N -1 0 315.822 3.891 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)ccc1C(=O)[O-] ZINC001574337694 960908578 /nfs/dbraw/zinc/90/85/78/960908578.db2.gz DXIVSJMTZULCLB-CYBMUJFWSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237416665 960932764 /nfs/dbraw/zinc/93/27/64/960932764.db2.gz NIHHTGDGXCHDPQ-LLVKDONJSA-N -1 0 317.772 3.871 20 0 DHADRM Cc1nn(C(C)C)c(C)c1CNc1ccc(C(=O)[O-])c(C)c1 ZINC001574343188 960946293 /nfs/dbraw/zinc/94/62/93/960946293.db2.gz IGMMCZMTEICPSD-UHFFFAOYSA-N -1 0 301.390 3.700 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1 ZINC001319928901 960964967 /nfs/dbraw/zinc/96/49/67/960964967.db2.gz ODFNSDNPGHZFDV-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC001319929023 960965702 /nfs/dbraw/zinc/96/57/02/960965702.db2.gz PICASMCFXDIVMH-AWEZNQCLSA-N -1 0 309.365 3.752 20 0 DHADRM Cc1cc2occ(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2cc1C ZINC001574347552 960970432 /nfs/dbraw/zinc/97/04/32/960970432.db2.gz IEYBBQARCUPEHM-KRWDZBQOSA-N -1 0 323.348 3.605 20 0 DHADRM CCC[C@H](C(=O)N(CC)[C@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573832511 961040303 /nfs/dbraw/zinc/04/03/03/961040303.db2.gz WATXRWBSIXFBLJ-RISCZKNCSA-N -1 0 311.809 3.545 20 0 DHADRM CCCC1CCC(NC(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001573841689 961087569 /nfs/dbraw/zinc/08/75/69/961087569.db2.gz ZDPDVEMVUJDVLZ-UHFFFAOYSA-N -1 0 318.417 3.543 20 0 DHADRM CCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC001573849361 961125474 /nfs/dbraw/zinc/12/54/74/961125474.db2.gz CRZVUPLQCQHRTA-JKSUJKDBSA-N -1 0 311.381 3.694 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC001588738225 961138089 /nfs/dbraw/zinc/13/80/89/961138089.db2.gz FPIUDRGEHHHQIU-ZDUSSCGKSA-N -1 0 322.430 3.658 20 0 DHADRM Cc1cccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1Cl ZINC001574389156 961155408 /nfs/dbraw/zinc/15/54/08/961155408.db2.gz MDAMMMUNVFUWIM-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001588741076 961166274 /nfs/dbraw/zinc/16/62/74/961166274.db2.gz LCXXVBIVXCMBOX-GOSISDBHSA-N -1 0 302.370 3.701 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)C1(C(=O)[O-])CCC1 ZINC001588742066 961177003 /nfs/dbraw/zinc/17/70/03/961177003.db2.gz STAABVFEFKXFJI-UHFFFAOYSA-N -1 0 315.413 3.518 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001573864334 961184329 /nfs/dbraw/zinc/18/43/29/961184329.db2.gz FEFXQTLJSZHBJT-HNNXBMFYSA-N -1 0 317.410 3.565 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H]1CCCC[C@H]1C ZINC001573874492 961232796 /nfs/dbraw/zinc/23/27/96/961232796.db2.gz QZCWGQWPPLOYDF-CJNGLKHVSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cccnc1C(=O)[O-] ZINC001574402434 961242089 /nfs/dbraw/zinc/24/20/89/961242089.db2.gz JUZKSDOJRAJUCB-QWHCGFSZSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])s2)o1 ZINC001329495094 961274665 /nfs/dbraw/zinc/27/46/65/961274665.db2.gz JZPUDMBTSWZHAC-UHFFFAOYSA-N -1 0 321.398 3.642 20 0 DHADRM C[C@@H](Nc1ncc(C(=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC001329683081 961299724 /nfs/dbraw/zinc/29/97/24/961299724.db2.gz VFTOOYFMNLJDEL-SSDOTTSWSA-N -1 0 311.432 3.768 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000261749440 961390354 /nfs/dbraw/zinc/39/03/54/961390354.db2.gz JOAXDMJJOQNYJJ-SFHVURJKSA-N -1 0 323.392 3.622 20 0 DHADRM Cc1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC000261822679 961393350 /nfs/dbraw/zinc/39/33/50/961393350.db2.gz WTARATRWZGANAY-KRWDZBQOSA-N -1 0 309.365 3.752 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC000261822683 961393892 /nfs/dbraw/zinc/39/38/92/961393892.db2.gz WTARATRWZGANAY-QGZVFWFLSA-N -1 0 309.365 3.752 20 0 DHADRM Cc1oc(CN(C)Cc2cc3c(cccc3C)[nH]2)cc1C(=O)[O-] ZINC001331925059 961413050 /nfs/dbraw/zinc/41/30/50/961413050.db2.gz PIZQZTGLWKXSCP-UHFFFAOYSA-N -1 0 312.369 3.708 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000262077478 961436919 /nfs/dbraw/zinc/43/69/19/961436919.db2.gz DDWFIAJPDKVOLH-UONOGXRCSA-N -1 0 315.394 3.805 20 0 DHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574444230 961444470 /nfs/dbraw/zinc/44/44/70/961444470.db2.gz YKVRYXFQVGVWHS-UHFFFAOYSA-N -1 0 313.231 3.557 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC001588804431 961464963 /nfs/dbraw/zinc/46/49/63/961464963.db2.gz ZGHZCBHRTZCVCX-QGZVFWFLSA-N -1 0 309.365 3.557 20 0 DHADRM Cc1ccc([C@@H](NC(=O)Cc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000262108590 961467068 /nfs/dbraw/zinc/46/70/68/961467068.db2.gz FGSBTQNDBPOJFX-LJQANCHMSA-N -1 0 323.392 3.503 20 0 DHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])C1CCC(C)(C)CC1 ZINC000262122991 961478220 /nfs/dbraw/zinc/47/82/20/961478220.db2.gz JUQMEGPPJCUZKF-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000262134917 961488825 /nfs/dbraw/zinc/48/88/25/961488825.db2.gz LITQIICJUYVXDA-LBPRGKRZSA-N -1 0 319.357 3.563 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001573924989 961543628 /nfs/dbraw/zinc/54/36/28/961543628.db2.gz SWGSVSFISDIPDP-GFCCVEGCSA-N -1 0 314.337 3.702 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccccc1 ZINC001588815244 961564867 /nfs/dbraw/zinc/56/48/67/961564867.db2.gz IFARLGMHXPMTCN-HFTRVMKXSA-N -1 0 317.429 3.528 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262247636 961591492 /nfs/dbraw/zinc/59/14/92/961591492.db2.gz VEIIVSTYJFAKOT-WBVHZDCISA-N -1 0 317.429 3.793 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2c[nH]nc2C(C)(C)C)c1 ZINC001333138791 961657432 /nfs/dbraw/zinc/65/74/32/961657432.db2.gz XFBKXDKQMAKALZ-NSHDSACASA-N -1 0 301.390 3.507 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001333553642 961719391 /nfs/dbraw/zinc/71/93/91/961719391.db2.gz ZFJNSVALEJNFEZ-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)n1C1CC1 ZINC001334157936 961764086 /nfs/dbraw/zinc/76/40/86/961764086.db2.gz WHGGAUFCHXGMFC-UHFFFAOYSA-N -1 0 316.332 3.529 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC001588839735 961785632 /nfs/dbraw/zinc/78/56/32/961785632.db2.gz ZCWULVWTIDRNSX-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)n1C(C)C ZINC001334358347 961801920 /nfs/dbraw/zinc/80/19/20/961801920.db2.gz LBASTCGTZMBXRV-UHFFFAOYSA-N -1 0 314.385 3.945 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2C)C1(C)C ZINC001334357287 961802722 /nfs/dbraw/zinc/80/27/22/961802722.db2.gz DNFHGHGMHRGZNH-ZFWWWQNUSA-N -1 0 301.386 3.870 20 0 DHADRM O=C([O-])[C@@H](NC(=O)/C=C\C1CCCCCC1)c1ccc(F)cc1 ZINC001574512138 961803424 /nfs/dbraw/zinc/80/34/24/961803424.db2.gz GMIYKJDNUNICRB-PJCWUCBCSA-N -1 0 319.376 3.594 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262696780 961813475 /nfs/dbraw/zinc/81/34/75/961813475.db2.gz GPUVJQCUVVUIKZ-ULQDDVLXSA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001588842046 961814652 /nfs/dbraw/zinc/81/46/52/961814652.db2.gz UYANUGFKXSPKHB-VKJFTORMSA-N -1 0 307.434 3.519 20 0 DHADRM CCCC[C@H](NCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262718126 961823431 /nfs/dbraw/zinc/82/34/31/961823431.db2.gz TUQMUSWNVUQDHG-HNNXBMFYSA-N -1 0 318.442 3.852 20 0 DHADRM CC(C)C[C@H](C)N(C(=O)[C@@H](C)C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001588846663 961884185 /nfs/dbraw/zinc/88/41/85/961884185.db2.gz XUCAAMSFNRXSNU-QWHCGFSZSA-N -1 0 316.401 3.656 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)CC2 ZINC000262824284 961890432 /nfs/dbraw/zinc/89/04/32/961890432.db2.gz BVJCSRJJWZCHNC-HNNXBMFYSA-N -1 0 313.353 3.519 20 0 DHADRM CCCCOc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262915465 961997110 /nfs/dbraw/zinc/99/71/10/961997110.db2.gz KHOUJKQESDYKDH-HDJSIYSDSA-N -1 0 319.401 3.695 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588867585 962027786 /nfs/dbraw/zinc/02/77/86/962027786.db2.gz ULARMZDSRWRUET-QLYMSINSSA-N -1 0 319.401 3.712 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000262985359 962076113 /nfs/dbraw/zinc/07/61/13/962076113.db2.gz CQXBKUWOWOGMRO-GOSISDBHSA-N -1 0 318.417 3.703 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263005709 962102429 /nfs/dbraw/zinc/10/24/29/962102429.db2.gz MTMHYCNAIXKHSZ-QWHCGFSZSA-N -1 0 319.392 3.598 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1ccccc1CC(C)(C)C)C(=O)[O-] ZINC001588886108 962174983 /nfs/dbraw/zinc/17/49/83/962174983.db2.gz ZJJCUPGMRYUXNZ-OAHLLOKOSA-N -1 0 305.418 3.504 20 0 DHADRM CC(C)C[C@H](CNC(=O)NCCC1=CCCCCC1)CC(=O)[O-] ZINC001588892350 962204807 /nfs/dbraw/zinc/20/48/07/962204807.db2.gz BGKKOZBJFBQNSX-INIZCTEOSA-N -1 0 324.465 3.703 20 0 DHADRM Cc1oc(CN(C)C(=O)c2cc(C(C)C)oc2C)cc1C(=O)[O-] ZINC000263074071 962216428 /nfs/dbraw/zinc/21/64/28/962216428.db2.gz GHYOQADBVHUUDA-UHFFFAOYSA-N -1 0 319.357 3.583 20 0 DHADRM CC(C)Cc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001588905963 962271651 /nfs/dbraw/zinc/27/16/51/962271651.db2.gz BVNJBQSYXXEJRM-UHFFFAOYSA-N -1 0 313.357 3.622 20 0 DHADRM O=C([O-])[C@@]1(C(=O)NC(C2CCCC2)C2CCCC2)CC=CCC1 ZINC001574625745 962273693 /nfs/dbraw/zinc/27/36/93/962273693.db2.gz AQVDIROLGGPWLK-IBGZPJMESA-N -1 0 319.445 3.663 20 0 DHADRM CC(C)c1[nH]ccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001345777991 962290977 /nfs/dbraw/zinc/29/09/77/962290977.db2.gz ABYJERKWNHWKOE-LBPRGKRZSA-N -1 0 314.385 3.654 20 0 DHADRM O=C([O-])CN(C(=O)c1ccc(C2CCC2)cc1)c1ccccc1 ZINC000263140906 962293983 /nfs/dbraw/zinc/29/39/83/962293983.db2.gz MOZXTAOWNKNWIU-UHFFFAOYSA-N -1 0 309.365 3.686 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc2ccccc21 ZINC000263177374 962331780 /nfs/dbraw/zinc/33/17/80/962331780.db2.gz WRUDRHCJBLPOOV-NTDBWNAOSA-N -1 0 323.392 3.518 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc2ccccc2c1 ZINC000263183986 962338664 /nfs/dbraw/zinc/33/86/64/962338664.db2.gz XDVDDCOUFAPCTI-KDOFPFPSSA-N -1 0 323.392 3.828 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000263202775 962358813 /nfs/dbraw/zinc/35/88/13/962358813.db2.gz VISSTLFZIIZRIJ-LBPRGKRZSA-N -1 0 309.431 3.769 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263232883 962380387 /nfs/dbraw/zinc/38/03/87/962380387.db2.gz QSHZVHZRVRXLAA-UHFFFAOYSA-N -1 0 319.332 3.730 20 0 DHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C2CCC2)cc1)c1ccccc1 ZINC000263234553 962381966 /nfs/dbraw/zinc/38/19/66/962381966.db2.gz CNABMJNIJOHLTM-GOSISDBHSA-N -1 0 323.392 3.552 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000263311269 962454550 /nfs/dbraw/zinc/45/45/50/962454550.db2.gz GMMCHZVOPAWZND-CZUORRHYSA-N -1 0 305.418 3.781 20 0 DHADRM CC(C)OCc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001588935459 962495093 /nfs/dbraw/zinc/49/50/93/962495093.db2.gz FSZJBSJJHFGVIC-UHFFFAOYSA-N -1 0 319.401 3.585 20 0 DHADRM CC(C)[C@@H](CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263354127 962507492 /nfs/dbraw/zinc/50/74/92/962507492.db2.gz WKKXVOMBRBHVBN-VQIMIIECSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)c1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001588966796 962649199 /nfs/dbraw/zinc/64/91/99/962649199.db2.gz LMXFDNDPECDFRC-UHFFFAOYSA-N -1 0 317.429 3.563 20 0 DHADRM CN(CC1CCC1)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263466521 962653938 /nfs/dbraw/zinc/65/39/38/962653938.db2.gz WVJLBSFRZZZHKS-UHFFFAOYSA-N -1 0 323.392 3.924 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001588968539 962658173 /nfs/dbraw/zinc/65/81/73/962658173.db2.gz KVMFBFAWAMOSRU-UHFFFAOYSA-N -1 0 313.357 3.572 20 0 DHADRM CC(C)c1cccc(COC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001588969959 962669147 /nfs/dbraw/zinc/66/91/47/962669147.db2.gz XDJGIWPKFJJPMV-UHFFFAOYSA-N -1 0 319.401 3.673 20 0 DHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCCCC(=O)[O-])cc1 ZINC000263581690 962747509 /nfs/dbraw/zinc/74/75/09/962747509.db2.gz XMZCVJJJFTVIJZ-SJORKVTESA-N -1 0 317.429 3.735 20 0 DHADRM O=C([O-])CCCCN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000263580790 962747685 /nfs/dbraw/zinc/74/76/85/962747685.db2.gz WIHCRXKTHKWAKW-UHFFFAOYSA-N -1 0 302.201 3.606 20 0 DHADRM CCC(=CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)CC ZINC001517445707 962800463 /nfs/dbraw/zinc/80/04/63/962800463.db2.gz BMWSMRAHTFCJBN-OAHLLOKOSA-N -1 0 318.417 3.523 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001588992831 962807287 /nfs/dbraw/zinc/80/72/87/962807287.db2.gz DKEJSKSIOWKQKC-BMFZPTHFSA-N -1 0 317.429 3.576 20 0 DHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001574201675 962887514 /nfs/dbraw/zinc/88/75/14/962887514.db2.gz DJDHKARBXJRGCZ-CQSZACIVSA-N -1 0 321.417 3.678 20 0 DHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccc(Cl)c1F ZINC000048653743 1013381548 /nfs/dbraw/zinc/38/15/48/1013381548.db2.gz WDIWLSZGPTWJEO-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM COc1ccc([C@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001574226209 962976972 /nfs/dbraw/zinc/97/69/72/962976972.db2.gz RFVVVHSFESLXHT-LBPRGKRZSA-N -1 0 314.337 3.620 20 0 DHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)CCCCC(=O)[O-] ZINC000655554378 1013402681 /nfs/dbraw/zinc/40/26/81/1013402681.db2.gz PZRPSVYYHWZLKY-UHFFFAOYSA-N -1 0 312.369 3.641 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000316097192 963977410 /nfs/dbraw/zinc/97/74/10/963977410.db2.gz KMVNAHZFOGBYJY-ZWNOBZJWSA-N -1 0 308.353 3.614 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2ccc(F)cc2s1 ZINC000316394533 964009002 /nfs/dbraw/zinc/00/90/02/964009002.db2.gz RQXOYVUYVQTZEG-UHFFFAOYSA-N -1 0 323.389 3.805 20 0 DHADRM C[C@@H]1c2ccsc2CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000316596097 964029115 /nfs/dbraw/zinc/02/91/15/964029115.db2.gz HSOAHKZKMLRAIT-GFCCVEGCSA-N -1 0 321.442 3.619 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2ccc(F)cc2s1)C(=O)[O-] ZINC000317022852 964088247 /nfs/dbraw/zinc/08/82/47/964088247.db2.gz RLGKVYQXLWIFMH-UHFFFAOYSA-N -1 0 323.389 3.661 20 0 DHADRM Cc1cnc(Nc2cccc(CC(=O)[O-])c2)c(Br)c1 ZINC001210070545 1013520392 /nfs/dbraw/zinc/52/03/92/1013520392.db2.gz ZRKHFXINFODPCG-UHFFFAOYSA-N -1 0 321.174 3.523 20 0 DHADRM O=C([O-])c1csc(/C=C\c2ncc(Br)s2)c1 ZINC000336748714 1013550756 /nfs/dbraw/zinc/55/07/56/1013550756.db2.gz TUBDGLYQWCNLDT-UPHRSURJSA-N -1 0 316.201 3.836 20 0 DHADRM O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000140941089 1013606868 /nfs/dbraw/zinc/60/68/68/1013606868.db2.gz BEPLWAFGQSZOFZ-UHFFFAOYSA-N -1 0 316.788 3.898 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2F)cn1 ZINC001210175568 1013614188 /nfs/dbraw/zinc/61/41/88/1013614188.db2.gz JGDJOBBKRBMFFL-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1cccc(Cl)c1 ZINC000237982545 1013614305 /nfs/dbraw/zinc/61/43/05/1013614305.db2.gz BRBFEKQVJUVJHS-OAHLLOKOSA-N -1 0 323.820 3.519 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1[O-] ZINC000020545868 1013719710 /nfs/dbraw/zinc/71/97/10/1013719710.db2.gz IATVWRANMLOPEO-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CC(C)C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000033456642 967501765 /nfs/dbraw/zinc/50/17/65/967501765.db2.gz KTYWEENHESPPLI-YCABEKBOSA-N -1 0 317.429 3.613 20 0 DHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000188388129 1013726035 /nfs/dbraw/zinc/72/60/35/1013726035.db2.gz NYWDGCYACNVRCS-UHFFFAOYSA-N -1 0 323.439 3.526 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccsc1 ZINC000262364513 967818935 /nfs/dbraw/zinc/81/89/35/967818935.db2.gz HKPUGXVEJFPMMK-LLVKDONJSA-N -1 0 303.383 3.508 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)s1 ZINC000112850704 1013764615 /nfs/dbraw/zinc/76/46/15/1013764615.db2.gz IXDWWZCTNHKGIU-UHFFFAOYSA-N -1 0 306.412 3.593 20 0 DHADRM CSc1ccncc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683625714 1013780731 /nfs/dbraw/zinc/78/07/31/1013780731.db2.gz YIEXMGDSEOHYIY-UHFFFAOYSA-N -1 0 312.753 3.554 20 0 DHADRM CC(C)(C)c1ccc(CCCCC(=O)NCCCC(=O)[O-])cc1 ZINC000428089198 968371946 /nfs/dbraw/zinc/37/19/46/968371946.db2.gz STLAEXQOWRROAP-UHFFFAOYSA-N -1 0 319.445 3.678 20 0 DHADRM CC(C)n1ccc(Nc2ccc(F)c(Br)c2[O-])n1 ZINC001210345270 1013798483 /nfs/dbraw/zinc/79/84/83/1013798483.db2.gz GLUSRQLXDPCWMR-UHFFFAOYSA-N -1 0 314.158 3.815 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000630566969 968537614 /nfs/dbraw/zinc/53/76/14/968537614.db2.gz AUMNCVDJWCQBDM-WBMJQRKESA-N -1 0 316.401 3.529 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC000653302177 968645108 /nfs/dbraw/zinc/64/51/08/968645108.db2.gz KAMDZQJWPWKHAQ-LBPRGKRZSA-N -1 0 307.390 3.693 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000659128050 968723505 /nfs/dbraw/zinc/72/35/05/968723505.db2.gz TUDPXEYCDFRNFV-QMMMGPOBSA-N -1 0 323.801 3.632 20 0 DHADRM Cc1cc(CNC(=O)C2(C(=O)[O-])CCC2)ccc1-c1ccccc1 ZINC000663045093 968770457 /nfs/dbraw/zinc/77/04/57/968770457.db2.gz WXBVQSRUOODIQT-UHFFFAOYSA-N -1 0 323.392 3.533 20 0 DHADRM CCSc1ccc([C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663092892 968799018 /nfs/dbraw/zinc/79/90/18/968799018.db2.gz SSVRIWUTFJAJOZ-SMDDNHRTSA-N -1 0 323.458 3.723 20 0 DHADRM Cc1cccc(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000315071637 1013840340 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C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001594227857 970196340 /nfs/dbraw/zinc/19/63/40/970196340.db2.gz RNDLSLHYHZYBBU-XIKOKIGWSA-N -1 0 311.337 3.528 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000317192471 970337060 /nfs/dbraw/zinc/33/70/60/970337060.db2.gz YAAAWCSDDHAHNS-LBPRGKRZSA-N -1 0 323.820 3.611 20 0 DHADRM CC(C)Oc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])co1 ZINC000317431196 970357690 /nfs/dbraw/zinc/35/76/90/970357690.db2.gz RTBNYZJKDHWWBX-LBPRGKRZSA-N -1 0 303.358 3.616 20 0 DHADRM Cc1c(NC(=O)c2cccc(OC(F)F)c2)cccc1C(=O)[O-] ZINC000320135734 970619986 /nfs/dbraw/zinc/61/99/86/970619986.db2.gz ANLOYYJATHPVFZ-UHFFFAOYSA-N -1 0 321.279 3.547 20 0 DHADRM C[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)ccc1O ZINC000049933478 1014026752 /nfs/dbraw/zinc/02/67/52/1014026752.db2.gz WOBHVHWVGNCFCM-VIFPVBQESA-N -1 0 307.802 3.867 20 0 DHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1Cl ZINC001604994033 972585861 /nfs/dbraw/zinc/58/58/61/972585861.db2.gz 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DHADRM CCCC[C@@H](Sc1nc(C2CC2)nc2c1CCC2)C(=O)[O-] ZINC000573626257 974769055 /nfs/dbraw/zinc/76/90/55/974769055.db2.gz ZOYJDWVRUNPIMX-CYBMUJFWSA-N -1 0 306.431 3.578 20 0 DHADRM O=C([O-])C1(CNc2ncc(C(F)(F)F)s2)CCCCC1 ZINC000575319897 974798376 /nfs/dbraw/zinc/79/83/76/974798376.db2.gz GFVPFGKCEBPGPR-UHFFFAOYSA-N -1 0 308.325 3.609 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000579611123 974878967 /nfs/dbraw/zinc/87/89/67/974878967.db2.gz IUYJXMATUWSARH-CQSZACIVSA-N -1 0 317.429 3.701 20 0 DHADRM O=C([O-])CN(Cc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000579961227 974885550 /nfs/dbraw/zinc/88/55/50/974885550.db2.gz CTLONOCQOSBLCW-UHFFFAOYSA-N -1 0 322.817 3.513 20 0 DHADRM Cc1oc(CN(C)[C@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000580085254 974888399 /nfs/dbraw/zinc/88/83/99/974888399.db2.gz PRPSAIUDZPJWPC-SECBINFHSA-N -1 0 309.312 3.757 20 0 DHADRM CCCc1nc(C)c(CN2CCCc3c(C(=O)[O-])cccc32)o1 ZINC000581948855 974918573 /nfs/dbraw/zinc/91/85/73/974918573.db2.gz 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ZINC000630111438 975105658 /nfs/dbraw/zinc/10/56/58/975105658.db2.gz PCNHRUAECVJZNH-NSHDSACASA-N -1 0 319.332 3.649 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000630118465 975109268 /nfs/dbraw/zinc/10/92/68/975109268.db2.gz JPRFZHDZTQKPLH-LBPRGKRZSA-N -1 0 307.390 3.575 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000630135162 975119869 /nfs/dbraw/zinc/11/98/69/975119869.db2.gz JMUJDYUZNBCECN-ZFWWWQNUSA-N -1 0 319.401 3.613 20 0 DHADRM O=C([O-])c1csc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000630162427 975137414 /nfs/dbraw/zinc/13/74/14/975137414.db2.gz KKSOCBDMYCOJQT-BDAKNGLRSA-N -1 0 321.320 3.754 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCCC4(CC4)C3)ccc12 ZINC000630233856 975181321 /nfs/dbraw/zinc/18/13/21/975181321.db2.gz QDDZCOBXSVDZMT-NSHDSACASA-N -1 0 312.369 3.775 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3C[C@H]3C3CCCC3)ccc12 ZINC000630234724 975181478 /nfs/dbraw/zinc/18/14/78/975181478.db2.gz WCSQUYAIJWNQRL-UONOGXRCSA-N -1 0 312.369 3.631 20 0 DHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000630276253 975221088 /nfs/dbraw/zinc/22/10/88/975221088.db2.gz RXLFTORUMQYGNR-GFCCVEGCSA-N -1 0 307.390 3.575 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CC1 ZINC000630280921 975225466 /nfs/dbraw/zinc/22/54/66/975225466.db2.gz AUCZKJUZAKMZEU-OVYGPGRDSA-N -1 0 321.461 3.551 20 0 DHADRM CCC[C@@H](OCC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000630287617 975231766 /nfs/dbraw/zinc/23/17/66/975231766.db2.gz PYMXKVGOLCKIJH-MRXNPFEDSA-N -1 0 315.369 3.682 20 0 DHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000630295466 975234853 /nfs/dbraw/zinc/23/48/53/975234853.db2.gz SUMJUMIKNKUOBX-GFCCVEGCSA-N -1 0 315.394 3.846 20 0 DHADRM CC[C@@H](CSc1ccccc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000630298829 975237804 /nfs/dbraw/zinc/23/78/04/975237804.db2.gz ZCOJBBKSEFVICQ-ZDUSSCGKSA-N -1 0 323.458 3.565 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000630308178 975242869 /nfs/dbraw/zinc/24/28/69/975242869.db2.gz HGSVEGHZYZABCL-AWEZNQCLSA-N -1 0 323.392 3.759 20 0 DHADRM CCCC[C@@H](C(=O)[O-])[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634692635 975273490 /nfs/dbraw/zinc/27/34/90/975273490.db2.gz FSLSVAIJSRPSIM-AWEZNQCLSA-N -1 0 315.335 3.707 20 0 DHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000649255864 975395476 /nfs/dbraw/zinc/39/54/76/975395476.db2.gz BCFHUQKEQUSTDN-RYUDHWBXSA-N -1 0 321.442 3.735 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000652073071 975469811 /nfs/dbraw/zinc/46/98/11/975469811.db2.gz VLCLTWZHMYFFTH-UVBJJODRSA-N -1 0 301.386 3.640 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(Cl)s1 ZINC000652079580 975475839 /nfs/dbraw/zinc/47/58/39/975475839.db2.gz JKEBQGIYJXRZAV-BDAKNGLRSA-N -1 0 317.838 3.511 20 0 DHADRM CC1(C)[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000652426712 975528755 /nfs/dbraw/zinc/52/87/55/975528755.db2.gz HEEJRYVXIIPBPF-NTZNESFSSA-N -1 0 314.212 3.707 20 0 DHADRM Cc1ccc([C@@H](NC(=O)c2cccc(CC(=O)[O-])c2)C2CC2)cc1 ZINC000653637266 975601312 /nfs/dbraw/zinc/60/13/12/975601312.db2.gz XWVSBXGEHUJMFK-LJQANCHMSA-N -1 0 323.392 3.503 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)c2ccccc21 ZINC000653643894 975612566 /nfs/dbraw/zinc/61/25/66/975612566.db2.gz YXFUEMKSIYHKAN-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000655554978 975629583 /nfs/dbraw/zinc/62/95/83/975629583.db2.gz RBENHWUWOWTSMG-UHFFFAOYSA-N -1 0 318.417 3.651 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2ccc3c(c2)C=CCCC3)CCC1 ZINC000656605270 975665657 /nfs/dbraw/zinc/66/56/57/975665657.db2.gz QRNUTHVTIFKERB-UHFFFAOYSA-N -1 0 314.385 3.555 20 0 DHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(C2CC2)cc1 ZINC000659115825 975712045 /nfs/dbraw/zinc/71/20/45/975712045.db2.gz HZVVMBIBIHWPDX-UHFFFAOYSA-N -1 0 323.392 3.681 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000659120265 975717159 /nfs/dbraw/zinc/71/71/59/975717159.db2.gz IZPXRDCWUDWVFP-UHFFFAOYSA-N -1 0 301.342 3.836 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000659120025 975717590 /nfs/dbraw/zinc/71/75/90/975717590.db2.gz SKIZTGSCLLHLAT-VIFPVBQESA-N -1 0 321.760 3.773 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C ZINC000659122430 975721785 /nfs/dbraw/zinc/72/17/85/975721785.db2.gz MIGPBIFCERPJKK-CQSZACIVSA-N -1 0 315.413 3.516 20 0 DHADRM Cc1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1C(=O)[O-] ZINC000659137557 975737911 /nfs/dbraw/zinc/73/79/11/975737911.db2.gz YAUIOQQEVXOEAQ-CZUORRHYSA-N -1 0 323.339 3.847 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000659143253 975743249 /nfs/dbraw/zinc/74/32/49/975743249.db2.gz UUGSJLPSPHDEOH-AWEZNQCLSA-N -1 0 303.402 3.527 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659147945 975749405 /nfs/dbraw/zinc/74/94/05/975749405.db2.gz UKFZNAMVZDLYJS-GDBMZVCRSA-N -1 0 303.402 3.859 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC000659161524 975760287 /nfs/dbraw/zinc/76/02/87/975760287.db2.gz XYMBCNPZCZIKFP-SCLBCKFNSA-N -1 0 301.386 3.950 20 0 DHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)ccc1Cl ZINC000659163866 975763260 /nfs/dbraw/zinc/76/32/60/975763260.db2.gz YGAQZEICAQOPJX-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC000659168600 975767511 /nfs/dbraw/zinc/76/75/11/975767511.db2.gz XYFVKRLTTLMHGG-INIZCTEOSA-N -1 0 315.413 3.547 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000659192357 975791025 /nfs/dbraw/zinc/79/10/25/975791025.db2.gz LNBOXACTMYOUMV-GOSISDBHSA-N -1 0 323.392 3.681 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659192834 975792023 /nfs/dbraw/zinc/79/20/23/975792023.db2.gz GVFHFOSNVCGRHQ-SIXLDLHFSA-N -1 0 321.461 3.695 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659199992 975806940 /nfs/dbraw/zinc/80/69/40/975806940.db2.gz COXIGNGQEAWOFY-ZDUSSCGKSA-N -1 0 307.390 3.591 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)s1 ZINC001591771827 975900440 /nfs/dbraw/zinc/90/04/40/975900440.db2.gz KREHYUSNSIWEMH-UHFFFAOYSA-N -1 0 323.345 3.625 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H](C)[C@@H]1CCCCO1 ZINC001591772058 975903779 /nfs/dbraw/zinc/90/37/79/975903779.db2.gz YATUYHQGTWITAX-WFASDCNBSA-N -1 0 307.390 3.542 20 0 DHADRM CC12CC(C1)CN2C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000668298091 975990132 /nfs/dbraw/zinc/99/01/32/975990132.db2.gz MNFQRGDTQVKNIZ-UHFFFAOYSA-N -1 0 321.376 3.676 20 0 DHADRM O=C([O-])Cc1cccc(C(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000668318055 975995955 /nfs/dbraw/zinc/99/59/55/975995955.db2.gz FPIUAISTLKHEFM-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM CCC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC000669434098 976000053 /nfs/dbraw/zinc/00/00/53/976000053.db2.gz IZDPMZYBKDSNRY-UKRRQHHQSA-N -1 0 303.402 3.664 20 0 DHADRM Cc1c(NCc2ncccc2C(F)(F)F)cccc1C(=O)[O-] ZINC000671162343 976010257 /nfs/dbraw/zinc/01/02/57/976010257.db2.gz GQRZYWLOPHWBSH-UHFFFAOYSA-N -1 0 310.275 3.719 20 0 DHADRM Cc1c(NC(=O)CC(C)(C)c2ccccc2)cccc1C(=O)[O-] ZINC000675966331 976020740 /nfs/dbraw/zinc/02/07/40/976020740.db2.gz HKLLHXIXJGNATQ-UHFFFAOYSA-N -1 0 311.381 4.000 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000520501373 1014301705 /nfs/dbraw/zinc/30/17/05/1014301705.db2.gz BGUJKIHYOWJZHS-BBRMVZONSA-N -1 0 321.417 3.544 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000682619942 976076643 /nfs/dbraw/zinc/07/66/43/976076643.db2.gz CQANGXHJFMQVEP-UHFFFAOYSA-N -1 0 301.342 3.772 20 0 DHADRM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)c1cc(C(=O)[O-])co1 ZINC001591823648 976077260 /nfs/dbraw/zinc/07/72/60/976077260.db2.gz OLBUBSOPNGSRQC-WCQYABFASA-N -1 0 312.387 3.587 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001591829041 976089405 /nfs/dbraw/zinc/08/94/05/976089405.db2.gz APNASFDGVNNSHE-NEPJUHHUSA-N -1 0 322.430 3.562 20 0 DHADRM CC(C)Sc1ccccc1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001591829558 976092442 /nfs/dbraw/zinc/09/24/42/976092442.db2.gz QEKFRLYPNNMUEC-UHFFFAOYSA-N -1 0 308.399 3.599 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001591935101 976449260 /nfs/dbraw/zinc/44/92/60/976449260.db2.gz RNMQGKBNXINYHF-NSHDSACASA-N -1 0 324.808 3.792 20 0 DHADRM CC(C)c1cc(Nc2cc(C(=O)[O-])n(C)c2)nc(C(C)C)n1 ZINC001591935853 976455268 /nfs/dbraw/zinc/45/52/68/976455268.db2.gz IOFGQPOFQKZDPZ-UHFFFAOYSA-N -1 0 302.378 3.504 20 0 DHADRM CC(C)c1ccc(-c2ccc([S@@](=O)CC(=O)[O-])cc2)cc1 ZINC001591936078 976456466 /nfs/dbraw/zinc/45/64/66/976456466.db2.gz OUMCWUNIBZPURA-NRFANRHFSA-N -1 0 302.395 3.669 20 0 DHADRM CC(C)c1ccc([C@H](C)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001591948307 976497791 /nfs/dbraw/zinc/49/77/91/976497791.db2.gz DWSKJGVNQZQUDE-ZDUSSCGKSA-N -1 0 315.417 3.999 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591957511 976530172 /nfs/dbraw/zinc/53/01/72/976530172.db2.gz LZAFJGCURUBXEN-UHFFFAOYSA-N -1 0 315.373 3.515 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@H](C)c2ccccn2)c(C(=O)[O-])c1 ZINC001591962821 976551679 /nfs/dbraw/zinc/55/16/79/976551679.db2.gz RPJDGNJTRUGFFU-GFCCVEGCSA-N -1 0 312.369 3.645 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001591988134 976615639 /nfs/dbraw/zinc/61/56/39/976615639.db2.gz WQUCGMYJCVAJNF-UHFFFAOYSA-N -1 0 323.352 3.637 20 0 DHADRM CC(C)c1cccc(CNc2nnc(CCCC(=O)[O-])s2)c1 ZINC001591992301 976624368 /nfs/dbraw/zinc/62/43/68/976624368.db2.gz XICWXAGJFFSDTI-UHFFFAOYSA-N -1 0 319.430 3.681 20 0 DHADRM CC(C)c1ccoc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592002802 976655212 /nfs/dbraw/zinc/65/52/12/976655212.db2.gz IJGYTHOZHHRLNF-CYBMUJFWSA-N -1 0 306.289 3.525 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001592002886 976656623 /nfs/dbraw/zinc/65/66/23/976656623.db2.gz LADWOZGNGVLALF-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)sc1C(=O)[O-] ZINC001592021278 976713826 /nfs/dbraw/zinc/71/38/26/976713826.db2.gz AXWIJOXEZVLUJZ-WDEREUQCSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@@H]2CCC[C@@H]2C)sc1C(=O)[O-] ZINC001592021894 976717250 /nfs/dbraw/zinc/71/72/50/976717250.db2.gz IMCRIRUZMJCSBN-UWVGGRQHSA-N -1 0 310.419 3.730 20 0 DHADRM Oc1cc2ccccc2cc1-c1nc(Cc2ccncc2)no1 ZINC000320413845 1014345028 /nfs/dbraw/zinc/34/50/28/1014345028.db2.gz IFRGZAGPCPFVRQ-UHFFFAOYSA-N -1 0 303.321 3.581 20 0 DHADRM CC(C)c1nc(NC(=O)c2cccn2C(C)C)sc1C(=O)[O-] ZINC001592028529 976728115 /nfs/dbraw/zinc/72/81/15/976728115.db2.gz MAKBLKCJABSXPL-UHFFFAOYSA-N -1 0 321.402 3.599 20 0 DHADRM FC(F)(F)c1nc(=N[C@@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000557558670 1014345938 /nfs/dbraw/zinc/34/59/38/1014345938.db2.gz CWXFIDPZMULWJQ-NSHDSACASA-N -1 0 313.348 3.932 20 0 DHADRM c1cc(OC2CCCC2)ccc1CN=c1nc(C2CC2)[n-]s1 ZINC000580791698 1014351486 /nfs/dbraw/zinc/35/14/86/1014351486.db2.gz ZEAWCMHJSNTESY-UHFFFAOYSA-N -1 0 315.442 3.771 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@]2(C)CCC[C@@H]2C)nc1C(=O)[O-] ZINC001592107897 976889997 /nfs/dbraw/zinc/88/99/97/976889997.db2.gz IIQPGDFUDPZGIY-VFZGTOFNSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2CCC(C)(C)C2)nc1C(=O)[O-] ZINC001592111630 976900761 /nfs/dbraw/zinc/90/07/61/976900761.db2.gz HNBHWPAHUNIPIW-VIFPVBQESA-N -1 0 310.419 3.730 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)CC(C)(C)C ZINC001592242334 977459602 /nfs/dbraw/zinc/45/96/02/977459602.db2.gz DINWATNFIXONJO-NEPJUHHUSA-N -1 0 311.447 3.843 20 0 DHADRM O=C([O-])[C@H]1CCCN1c1nc(-c2ccccc2Cl)cs1 ZINC000262122019 1014409736 /nfs/dbraw/zinc/40/97/36/1014409736.db2.gz MGBLFQUCIHOGFL-GFCCVEGCSA-N -1 0 308.790 3.517 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001592382059 977923016 /nfs/dbraw/zinc/92/30/16/977923016.db2.gz WAURUYGSKNCZOU-LIRRHRJNSA-N -1 0 317.429 3.925 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)OC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001592402485 977969761 /nfs/dbraw/zinc/96/97/61/977969761.db2.gz OZKTVFUCIFKGNL-CHWSQXEVSA-N -1 0 308.374 3.579 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@H]1CCCc2ccc(Cl)cc21 ZINC001592403061 977972174 /nfs/dbraw/zinc/97/21/74/977972174.db2.gz SWKBYRUOXBODCR-YGRLFVJLSA-N -1 0 310.777 3.762 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1c(F)cccc1Br ZINC001592422149 978035863 /nfs/dbraw/zinc/03/58/63/978035863.db2.gz MBBMRGNACJYEJE-ZETCQYMHSA-N -1 0 307.184 3.685 20 0 DHADRM C[C@H](CC(=O)[O-])SCCCCCCNC(=O)OC(C)(C)C ZINC001592422358 978035984 /nfs/dbraw/zinc/03/59/84/978035984.db2.gz MSACOEZVJUKIIB-GFCCVEGCSA-N -1 0 319.467 3.668 20 0 DHADRM C[C@@H](CC(=O)[O-])Sc1ccc(-c2ccc(Cl)s2)nn1 ZINC001592422738 978038508 /nfs/dbraw/zinc/03/85/08/978038508.db2.gz XNUGURZCAOWLGF-ZETCQYMHSA-N -1 0 314.819 3.814 20 0 DHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccco1 ZINC001592433370 978066370 /nfs/dbraw/zinc/06/63/70/978066370.db2.gz HVIQZVIIYNPWNQ-SNVBAGLBSA-N -1 0 322.744 3.868 20 0 DHADRM C[C@H](CC(=O)OCc1ccsc1C(=O)[O-])c1cccc(F)c1 ZINC001592434068 978071604 /nfs/dbraw/zinc/07/16/04/978071604.db2.gz RXCXQGOBAVHOLA-SNVBAGLBSA-N -1 0 322.357 3.822 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000049336689 1014454124 /nfs/dbraw/zinc/45/41/24/1014454124.db2.gz NIIJWUCGGPPWHR-UHFFFAOYSA-N -1 0 315.822 3.891 20 0 DHADRM Cc1cccc(C2=CCN(C(=O)c3ccc(O)cc3O)CC2)c1C ZINC000891344274 1014461551 /nfs/dbraw/zinc/46/15/51/1014461551.db2.gz SPLKOZQVYLMTBH-UHFFFAOYSA-N -1 0 323.392 3.644 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592466267 978211540 /nfs/dbraw/zinc/21/15/40/978211540.db2.gz UVJDWSSEAZQOOM-NSHDSACASA-N -1 0 305.374 3.635 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592466528 978212307 /nfs/dbraw/zinc/21/23/07/978212307.db2.gz XKCVQJCGUABWSG-CQSZACIVSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@@H](CCC(=O)Nc1sccc1C(=O)[O-])c1ccccc1 ZINC001592470013 978216177 /nfs/dbraw/zinc/21/61/77/978216177.db2.gz DUMQAJYFIPRANH-NSHDSACASA-N -1 0 303.383 3.969 20 0 DHADRM C[C@@H](CCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001592470177 978219076 /nfs/dbraw/zinc/21/90/76/978219076.db2.gz FDSRRIMVNVOHBG-YOEHRIQHSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001592476916 978238029 /nfs/dbraw/zinc/23/80/29/978238029.db2.gz CGAPCHKVLOGJRJ-NEPJUHHUSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592478445 978251431 /nfs/dbraw/zinc/25/14/31/978251431.db2.gz VIESTUCNDQKWHU-CQSZACIVSA-N -1 0 321.461 3.887 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736250610 978313888 /nfs/dbraw/zinc/31/38/88/978313888.db2.gz JOZUDXVGRASEAJ-LBPRGKRZSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736347236 978322581 /nfs/dbraw/zinc/32/25/81/978322581.db2.gz HQAFVDNXWSFHMJ-INIZCTEOSA-N -1 0 312.369 3.519 20 0 DHADRM C[C@@H](CCNC(=O)/C=C/c1cc(C(=O)[O-])co1)CC(C)(C)C ZINC001592512932 978340962 /nfs/dbraw/zinc/34/09/62/978340962.db2.gz KCBKDXXEWWXMSU-FYJFLYSWSA-N -1 0 307.390 3.570 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@H](C)C1 ZINC000736767790 978354678 /nfs/dbraw/zinc/35/46/78/978354678.db2.gz DXUQJTLEDRBYIQ-GYSYKLTISA-N -1 0 305.378 3.723 20 0 DHADRM C[C@@H](CN(C)C(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCCC1 ZINC001592574070 978468536 /nfs/dbraw/zinc/46/85/36/978468536.db2.gz DZQBAFPLZOXXNH-LBPRGKRZSA-N -1 0 321.392 3.812 20 0 DHADRM C[C@H](CN(C)C(=O)c1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC001592579435 978488934 /nfs/dbraw/zinc/48/89/34/978488934.db2.gz IIMGPUUNVFYZEE-GFCCVEGCSA-N -1 0 321.392 3.812 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1CCCC1(C)C)C(=O)[O-] ZINC001592602725 978541933 /nfs/dbraw/zinc/54/19/33/978541933.db2.gz YEMZHVHQLRYYGF-GDBMZVCRSA-N -1 0 317.429 3.562 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)c1ncc(Cl)s1)C(=O)[O-] ZINC001592609801 978558068 /nfs/dbraw/zinc/55/80/68/978558068.db2.gz OKSKOIOZTVYEPZ-JTQLQIEISA-N -1 0 310.806 3.524 20 0 DHADRM Cc1cccc2cc(C(=O)Nc3cccc(F)c3C(=O)[O-])oc21 ZINC000738750513 978599582 /nfs/dbraw/zinc/59/95/82/978599582.db2.gz TUKHDUFUXGPAKZ-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM O=C(CSc1ccc2ccccc2c1)[N-]OCc1cccnc1 ZINC000160728983 1014511724 /nfs/dbraw/zinc/51/17/24/1014511724.db2.gz CEIIYXWLXKNTCQ-UHFFFAOYSA-N -1 0 324.405 3.575 20 0 DHADRM CCCC[C@@H](NC(=O)/C=C(/CC)c1ccc(C)cc1)C(=O)[O-] ZINC000753907056 978694412 /nfs/dbraw/zinc/69/44/12/978694412.db2.gz MYFBKIXOSDVWHW-OBEJXRGXSA-N -1 0 303.402 3.548 20 0 DHADRM Cc1ccoc1CN[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000756346197 978698565 /nfs/dbraw/zinc/69/85/65/978698565.db2.gz BEUAZQAALRGDON-CYBMUJFWSA-N -1 0 313.275 3.522 20 0 DHADRM C/C(=C\C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC000766897577 978728351 /nfs/dbraw/zinc/72/83/51/978728351.db2.gz CYCHAYMAEFTDRA-ZHACJKMWSA-N -1 0 313.328 3.874 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000767039411 978732322 /nfs/dbraw/zinc/73/23/22/978732322.db2.gz RNDPNBVJVPSFKC-KBXCAEBGSA-N -1 0 317.429 3.804 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)c1 ZINC000767089255 978733738 /nfs/dbraw/zinc/73/37/38/978733738.db2.gz HNLNWZKFMLEYFZ-UHFFFAOYSA-N -1 0 313.328 3.503 20 0 DHADRM O=C(Cc1cc(F)ccc1F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160749142 1014532388 /nfs/dbraw/zinc/53/23/88/1014532388.db2.gz QOWKWUGWASFBFU-UHFFFAOYSA-N -1 0 320.320 3.576 20 0 DHADRM CN(C(=O)c1ccc(C2CCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000799243718 978837681 /nfs/dbraw/zinc/83/76/81/978837681.db2.gz KWEOYMPGTXAIRS-GOSISDBHSA-N -1 0 323.392 3.852 20 0 DHADRM CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811811391 978855869 /nfs/dbraw/zinc/85/58/69/978855869.db2.gz BHXGYTIHFMHONI-UHFFFAOYSA-N -1 0 303.745 3.705 20 0 DHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819773 978864166 /nfs/dbraw/zinc/86/41/66/978864166.db2.gz WHLJXMHVQFSWFM-WDEREUQCSA-N -1 0 309.793 3.689 20 0 DHADRM C[C@H]1CCC[C@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820148 978864714 /nfs/dbraw/zinc/86/47/14/978864714.db2.gz PIBHNOFPMMCLMK-QWRGUYRKSA-N -1 0 309.793 3.594 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820880 978864903 /nfs/dbraw/zinc/86/49/03/978864903.db2.gz ODURNFMRTMAEJS-YGRLFVJLSA-N -1 0 323.820 3.983 20 0 DHADRM CCc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000818802977 978923554 /nfs/dbraw/zinc/92/35/54/978923554.db2.gz GLBOPGIGNSATCS-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM C/C(=C\C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)C(C)(C)C ZINC000823340968 978932304 /nfs/dbraw/zinc/93/23/04/978932304.db2.gz GHCPSOIIBVROME-ZPHJMFTNSA-N -1 0 321.392 3.624 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CC1 ZINC000827213249 978954348 /nfs/dbraw/zinc/95/43/48/978954348.db2.gz MDMJBPOMVGTUHU-VIFPVBQESA-N -1 0 322.792 3.833 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000830513490 979019323 /nfs/dbraw/zinc/01/93/23/979019323.db2.gz CERJLUADZKVLNW-UHFFFAOYSA-N -1 0 309.325 3.534 20 0 DHADRM CC[C@@H](CC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-])C(C)(C)C ZINC001595029995 979162492 /nfs/dbraw/zinc/16/24/92/979162492.db2.gz IWZNUHFVLZZWQP-KBXCAEBGSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001595034030 979180342 /nfs/dbraw/zinc/18/03/42/979180342.db2.gz XJLUWACYMJGFTL-HIFRSBDPSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001595036977 979202234 /nfs/dbraw/zinc/20/22/34/979202234.db2.gz LIYWFALTJSIUCI-GFCCVEGCSA-N -1 0 313.353 3.613 20 0 DHADRM Cc1ccc(C(=O)OCc2cc(C(=O)[O-])co2)c(Cl)c1C ZINC000833747929 979235704 /nfs/dbraw/zinc/23/57/04/979235704.db2.gz OMPGBKOWBYOMEY-UHFFFAOYSA-N -1 0 308.717 3.605 20 0 DHADRM C[C@@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)CC(F)F ZINC001592729594 979243628 /nfs/dbraw/zinc/24/36/28/979243628.db2.gz NUPMIGRGIQRZMH-ZCFIWIBFSA-N -1 0 312.238 3.502 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1C(C)C ZINC001595049904 979276437 /nfs/dbraw/zinc/27/64/37/979276437.db2.gz IJTCWKSTSFXEDI-UHFFFAOYSA-N -1 0 306.406 3.965 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C(C)(F)F)cc1 ZINC001595053271 979285353 /nfs/dbraw/zinc/28/53/53/979285353.db2.gz ARJYDLDJJRTDMR-UHFFFAOYSA-N -1 0 313.344 3.562 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2ccccc2cc1F ZINC001595053731 979288802 /nfs/dbraw/zinc/28/88/02/979288802.db2.gz SXAVPUPRTOPITJ-UHFFFAOYSA-N -1 0 317.360 3.742 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2cccs2)o1 ZINC001595053737 979289593 /nfs/dbraw/zinc/28/95/93/979289593.db2.gz TZEHQWKVBJRBHV-UHFFFAOYSA-N -1 0 321.398 3.771 20 0 DHADRM COc1ccc(NCc2cccc(C(=O)[O-])c2)cc1OC(C)C ZINC000840995060 979294373 /nfs/dbraw/zinc/29/43/73/979294373.db2.gz QWLYHPCXJAOPOY-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000843330676 979339486 /nfs/dbraw/zinc/33/94/86/979339486.db2.gz BHKCXVYKBLXRHN-KRWDZBQOSA-N -1 0 317.429 3.645 20 0 DHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000844246050 979390688 /nfs/dbraw/zinc/39/06/88/979390688.db2.gz GWXYSCAZHFXRKV-UHFFFAOYSA-N -1 0 323.820 3.866 20 0 DHADRM Cc1ccccc1C1(CNC(=O)CCCC(=O)[O-])CCCCC1 ZINC000844246771 979391905 /nfs/dbraw/zinc/39/19/05/979391905.db2.gz SFHUAMCIKRGXAD-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM Cc1cccc([C@H]2CCCCCN2C(=O)CCCC(=O)[O-])c1 ZINC000844249144 979392706 /nfs/dbraw/zinc/39/27/06/979392706.db2.gz HQPTYFYPGGJKFK-MRXNPFEDSA-N -1 0 303.402 3.694 20 0 DHADRM CCC(CC)(NC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-] ZINC001595097698 979394437 /nfs/dbraw/zinc/39/44/37/979394437.db2.gz HKMGRDSGVCFPME-UHFFFAOYSA-N -1 0 303.402 3.717 20 0 DHADRM Cc1oc(CN(C)C(=O)/C=C\C2CCCCCC2)cc1C(=O)[O-] ZINC000846114068 979403619 /nfs/dbraw/zinc/40/36/19/979403619.db2.gz GCWJGPWBQIDXSY-KTKRTIGZSA-N -1 0 319.401 3.771 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\C2CCCC2)cc1)C(=O)[O-] ZINC000846119276 979406911 /nfs/dbraw/zinc/40/69/11/979406911.db2.gz ZEAWBORJVAYXOO-ZWXCPPHNSA-N -1 0 301.386 3.635 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595105239 979421302 /nfs/dbraw/zinc/42/13/02/979421302.db2.gz GLKOJVKWEIBCLO-NSHDSACASA-N -1 0 314.385 3.944 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595106641 979435190 /nfs/dbraw/zinc/43/51/90/979435190.db2.gz VLHYJHYWHHFLEI-SECBINFHSA-N -1 0 314.328 3.779 20 0 DHADRM Cc1nc(C(=O)N(CCC(C)C)CCC(C)C)ccc1C(=O)[O-] ZINC000261853006 1014577350 /nfs/dbraw/zinc/57/73/50/1014577350.db2.gz JPGUNSIRDXMYAR-UHFFFAOYSA-N -1 0 320.433 3.623 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000848875080 979479315 /nfs/dbraw/zinc/47/93/15/979479315.db2.gz MWQVSXLPNCTNCH-QWRGUYRKSA-N -1 0 305.399 3.579 20 0 DHADRM CCC(CC)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595121149 979486628 /nfs/dbraw/zinc/48/66/28/979486628.db2.gz FVYVVQXMYNZKHF-UHFFFAOYSA-N -1 0 300.358 3.848 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595126519 979517901 /nfs/dbraw/zinc/51/79/01/979517901.db2.gz WAGHTSKOYXWSGR-UUAJXVIYSA-N -1 0 321.461 3.599 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001595126697 979520794 /nfs/dbraw/zinc/52/07/94/979520794.db2.gz YYDDIWXJHUMZDM-RDTXWAMCSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001595129112 979531173 /nfs/dbraw/zinc/53/11/73/979531173.db2.gz DDYPGCFPCYGKTM-KRWDZBQOSA-N -1 0 311.381 3.526 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000852939530 979585572 /nfs/dbraw/zinc/58/55/72/979585572.db2.gz SKAQWJUUIWUUAT-IRXDYDNUSA-N -1 0 317.429 3.722 20 0 DHADRM Cc1ccc(C(=O)N(C)C2CCCCCCC2)cc1C(=O)[O-] ZINC000864107669 979696212 /nfs/dbraw/zinc/69/62/12/979696212.db2.gz SNDBNDBADXICJG-UHFFFAOYSA-N -1 0 303.402 3.878 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592865913 979710331 /nfs/dbraw/zinc/71/03/31/979710331.db2.gz HUAWABPUXBPKJX-ZENOOKHLSA-N -1 0 318.417 3.650 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1cccc2ccccc21 ZINC000864119217 979714168 /nfs/dbraw/zinc/71/41/68/979714168.db2.gz XXBZVSTWPRVQNQ-LJQANCHMSA-N -1 0 313.397 3.532 20 0 DHADRM C[C@@H](Cc1ccc(NCCOc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001592876854 979742061 /nfs/dbraw/zinc/74/20/61/979742061.db2.gz DSZLYZULSWODOL-ZDUSSCGKSA-N -1 0 317.360 3.580 20 0 DHADRM C[C@H](Cc1ccc(NCc2cccn2C(F)F)cc1)C(=O)[O-] ZINC001592877069 979743346 /nfs/dbraw/zinc/74/33/46/979743346.db2.gz ILLPGQDDGFMUGM-LLVKDONJSA-N -1 0 308.328 3.759 20 0 DHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592885953 979772521 /nfs/dbraw/zinc/77/25/21/979772521.db2.gz UXNKJQBKDLPNRP-MNOVXSKESA-N -1 0 320.316 3.600 20 0 DHADRM CC(C)c1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000864174520 979811358 /nfs/dbraw/zinc/81/13/58/979811358.db2.gz SQOAYDBCJCJOOH-QGZVFWFLSA-N -1 0 317.429 3.821 20 0 DHADRM CC1CCC(=CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000864189678 979839366 /nfs/dbraw/zinc/83/93/66/979839366.db2.gz PCUDOETXPOEYCY-CRRZLINXSA-N -1 0 313.397 3.950 20 0 DHADRM C/C(=C\C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1Cl ZINC000864200237 979876278 /nfs/dbraw/zinc/87/62/78/979876278.db2.gz 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3.565 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000887326400 980217170 /nfs/dbraw/zinc/21/71/70/980217170.db2.gz BAJBSZHPSMCZAF-KRWDZBQOSA-N -1 0 317.429 3.503 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1CC1(C)C ZINC001595252949 980225131 /nfs/dbraw/zinc/22/51/31/980225131.db2.gz SJZFTPKLPPDVGQ-QWHCGFSZSA-N -1 0 304.390 3.639 20 0 DHADRM Cc1nc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C ZINC000900039613 980238982 /nfs/dbraw/zinc/23/89/82/980238982.db2.gz ZZBAMYBBOAXEGO-JTQLQIEISA-N -1 0 304.415 3.635 20 0 DHADRM CSCc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000900039811 980239103 /nfs/dbraw/zinc/23/91/03/980239103.db2.gz DDFRVEZVOKGHOV-SNVBAGLBSA-N -1 0 322.455 3.555 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc([C@@H]3CCC(=O)N3)cc2)s1 ZINC000901088093 980259356 /nfs/dbraw/zinc/25/93/56/980259356.db2.gz ZGKROEQQZXAKPD-MFKMUULPSA-N -1 0 315.394 3.554 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccc([C@@H]3CCC(=O)N3)cc2)s1 ZINC000901088091 980259775 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CC[C@H](N[C@H](C)c1nc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595282699 980345092 /nfs/dbraw/zinc/34/50/92/980345092.db2.gz XQYJXMDQNQQGEE-OCCSQVGLSA-N -1 0 302.374 3.792 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H]1CCOC2(CCC2)C1 ZINC000901607242 980402633 /nfs/dbraw/zinc/40/26/33/980402633.db2.gz NXWSYCAUZACATO-CQSZACIVSA-N -1 0 319.401 3.686 20 0 DHADRM CC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1cc(F)ccc1F ZINC001595316163 980481169 /nfs/dbraw/zinc/48/11/69/980481169.db2.gz ABNQKCGBCBCNEG-CQSZACIVSA-N -1 0 306.312 3.930 20 0 DHADRM CC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(F)cc1F ZINC001595317206 980490245 /nfs/dbraw/zinc/49/02/45/980490245.db2.gz NQWSAACDTMEDQE-CQSZACIVSA-N -1 0 306.312 3.930 20 0 DHADRM CC[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001595318349 980500032 /nfs/dbraw/zinc/50/00/32/980500032.db2.gz JQQDVDKBECVWTO-CYBMUJFWSA-N -1 0 306.749 3.802 20 0 DHADRM O=C([O-])CCCN(Cc1ncc(Cl)s1)Cc1ccccc1 ZINC000901803620 980527749 /nfs/dbraw/zinc/52/77/49/980527749.db2.gz 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ZINC001595351422 980657025 /nfs/dbraw/zinc/65/70/25/980657025.db2.gz CUOZEBQQZGJZPR-HNNXBMFYSA-N -1 0 320.291 3.971 20 0 DHADRM CC[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)[C@H](C)C(=O)[O-] ZINC001595352130 980664953 /nfs/dbraw/zinc/66/49/53/980664953.db2.gz SLCZPETXCSRFRS-XPTSAGLGSA-N -1 0 321.760 3.544 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(Oc2ccccc2)o1 ZINC000902039517 980710480 /nfs/dbraw/zinc/71/04/80/980710480.db2.gz XUXICMLJQLFUSJ-INIZCTEOSA-N -1 0 315.369 3.901 20 0 DHADRM CCc1oc(CNCc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000902097637 980731977 /nfs/dbraw/zinc/73/19/77/980731977.db2.gz LQHQPNDEOZGKEF-UHFFFAOYSA-N -1 0 311.740 3.623 20 0 DHADRM CC[C@H](Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001595359207 980739131 /nfs/dbraw/zinc/73/91/31/980739131.db2.gz SJLIHJJDHSZJQA-AWEZNQCLSA-N -1 0 304.415 3.951 20 0 DHADRM CCOc1ccccc1[C@H](CC)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902120052 980744259 /nfs/dbraw/zinc/74/42/59/980744259.db2.gz XPPVMXJIYQKPCO-HNNXBMFYSA-N -1 0 317.385 3.926 20 0 DHADRM CCc1oc(C[N@H+](C)CCCCc2ccccc2)cc1C(=O)[O-] ZINC000902141233 980753762 /nfs/dbraw/zinc/75/37/62/980753762.db2.gz KFCKFZBAYDXFDA-UHFFFAOYSA-N -1 0 315.413 3.995 20 0 DHADRM C[C@H]1[C@H](Nc2ccc(OC(F)F)c(F)c2)CC[C@H]1CC(=O)[O-] ZINC000902144990 980755979 /nfs/dbraw/zinc/75/59/79/980755979.db2.gz LUYMRGMMEANYLD-VDDIYKPWSA-N -1 0 317.307 3.728 20 0 DHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OC(F)F)c(F)c1 ZINC000902144989 980756211 /nfs/dbraw/zinc/75/62/11/980756211.db2.gz LUYMRGMMEANYLD-PTRXPTGYSA-N -1 0 317.307 3.728 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CCC=CCC1 ZINC001595361870 980765662 /nfs/dbraw/zinc/76/56/62/980765662.db2.gz QKWJLAJYDASENI-KRWDZBQOSA-N -1 0 315.413 3.797 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ncccc1Cl ZINC001595362558 980771928 /nfs/dbraw/zinc/77/19/28/980771928.db2.gz JSQQYDBVRJMXGN-INIZCTEOSA-N -1 0 318.804 3.773 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362942 980776784 /nfs/dbraw/zinc/77/67/84/980776784.db2.gz 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/nfs/dbraw/zinc/53/34/58/981533458.db2.gz DUTXXTAFUOVHKM-UHFFFAOYSA-N -1 0 303.402 3.880 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595586583 981534070 /nfs/dbraw/zinc/53/40/70/981534070.db2.gz GJZOXWJNYULQBL-CJNGLKHVSA-N -1 0 305.418 3.781 20 0 DHADRM Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2cccnc12 ZINC000909540411 981537166 /nfs/dbraw/zinc/53/71/66/981537166.db2.gz CHTDZDSILZSLNT-UHFFFAOYSA-N -1 0 324.380 3.517 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595587796 981544229 /nfs/dbraw/zinc/54/42/29/981544229.db2.gz VLBPLUNUCBTICL-ZDUSSCGKSA-N -1 0 319.405 3.500 20 0 DHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442843835 1014743612 /nfs/dbraw/zinc/74/36/12/1014743612.db2.gz FCTLUZMVZAGVEQ-UHFFFAOYSA-N -1 0 305.330 3.681 20 0 DHADRM CCC[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)C(C)(C)C ZINC001595600457 981580319 /nfs/dbraw/zinc/58/03/19/981580319.db2.gz PYQGKSWXHQUTIF-ZDUSSCGKSA-N -1 0 312.454 3.536 20 0 DHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2-c2ccccc2)CCC1 ZINC000325854362 1014746871 /nfs/dbraw/zinc/74/68/71/1014746871.db2.gz GIBUCULAULXEID-UHFFFAOYSA-N -1 0 324.380 3.730 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC001594742473 981617183 /nfs/dbraw/zinc/61/71/83/981617183.db2.gz CPDMDPSBZJODEN-YOEHRIQHSA-N -1 0 311.381 3.614 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001594742910 981620106 /nfs/dbraw/zinc/62/01/06/981620106.db2.gz IRNPMUDYNYRBNL-GJZGRUSLSA-N -1 0 323.820 3.895 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC000909835606 981655056 /nfs/dbraw/zinc/65/50/56/981655056.db2.gz UHMFLOISTARDBW-GFCCVEGCSA-N -1 0 312.369 3.645 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001594752779 981656699 /nfs/dbraw/zinc/65/66/99/981656699.db2.gz GLGNAMILHZSACR-INIZCTEOSA-N -1 0 317.429 3.506 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001595619762 981681607 /nfs/dbraw/zinc/68/16/07/981681607.db2.gz NTYIPNHAOPIAHX-RKDXNWHRSA-N -1 0 302.827 3.900 20 0 DHADRM CC[C@H](CNC(=O)c1ccccc1-c1ccccc1C)C(=O)[O-] ZINC000909870524 981692780 /nfs/dbraw/zinc/69/27/80/981692780.db2.gz HLGLMPMBCASUDF-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595621092 981696503 /nfs/dbraw/zinc/69/65/03/981696503.db2.gz BRTLGNFQFOEKBC-SWLSCSKDSA-N -1 0 304.390 3.865 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595621772 981703119 /nfs/dbraw/zinc/70/31/19/981703119.db2.gz OHSJQTRONGHPDQ-XJKSGUPXSA-N -1 0 304.386 3.953 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595622207 981707132 /nfs/dbraw/zinc/70/71/32/981707132.db2.gz SHPPVRKZLBQMKP-XPKDYRNWSA-N -1 0 321.392 3.592 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595622490 981711016 /nfs/dbraw/zinc/71/10/16/981711016.db2.gz UIHLXTGMRPIBHC-STQMWFEESA-N -1 0 308.349 3.575 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001594768184 981728193 /nfs/dbraw/zinc/72/81/93/981728193.db2.gz PSMKFVBBTRGQBN-HOCLYGCPSA-N -1 0 301.386 3.629 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cscc1C)c1ccccc1 ZINC001594769793 981733280 /nfs/dbraw/zinc/73/32/80/981733280.db2.gz ATDGKNMAGAPJPW-AWEZNQCLSA-N -1 0 303.383 3.567 20 0 DHADRM CC[C@H](C(=O)OCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594776292 981766899 /nfs/dbraw/zinc/76/68/99/981766899.db2.gz WCKAVJGODBBQQI-LBPRGKRZSA-N -1 0 318.291 3.607 20 0 DHADRM CC[C@H](C(=O)O[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594777943 981771471 /nfs/dbraw/zinc/77/14/71/981771471.db2.gz GOQJJCJRYQGVAB-SKDRFNHKSA-N -1 0 318.291 3.605 20 0 DHADRM CCCC[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])C(C)C ZINC001595627596 981774153 /nfs/dbraw/zinc/77/41/53/981774153.db2.gz LCPVHDGBRFTZGU-CYBMUJFWSA-N -1 0 303.402 3.736 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233899 981797279 /nfs/dbraw/zinc/79/72/79/981797279.db2.gz QJXYVEPAAQRYQB-USKTWTLRSA-N -1 0 323.364 3.609 20 0 DHADRM CCCC[C@](C)(F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001595630284 981817724 /nfs/dbraw/zinc/81/77/24/981817724.db2.gz AEIYEFZTPDJCRX-AWEZNQCLSA-N -1 0 302.729 3.862 20 0 DHADRM CCCC[C@@H](C)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595631642 981841198 /nfs/dbraw/zinc/84/11/98/981841198.db2.gz XGDWPRKZWWOHJF-VPUINMBXSA-N -1 0 306.358 3.525 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(Cc1ncc(C(C)(C)C)s1)CC1CC1 ZINC001594791354 981848450 /nfs/dbraw/zinc/84/84/50/981848450.db2.gz JQVOQXARVJEXAG-KRWDZBQOSA-N -1 0 324.490 3.906 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595632150 981851132 /nfs/dbraw/zinc/85/11/32/981851132.db2.gz BAKAWOLXAASPTR-AWEZNQCLSA-N -1 0 305.418 3.650 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595632230 981852189 /nfs/dbraw/zinc/85/21/89/981852189.db2.gz UCOIEESFRZPFLI-CZUORRHYSA-N -1 0 323.408 3.717 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594801006 981892832 /nfs/dbraw/zinc/89/28/32/981892832.db2.gz WJPMHRXFXXHSGV-UHFFFAOYSA-N -1 0 314.332 3.611 20 0 DHADRM CCC(C)(C)CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594807923 981913909 /nfs/dbraw/zinc/91/39/09/981913909.db2.gz BJNANAHOJRPZBD-HNNXBMFYSA-N -1 0 317.429 3.747 20 0 DHADRM CCCC[C@@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001595636640 981920667 /nfs/dbraw/zinc/92/06/67/981920667.db2.gz HGJCJDBSMICPND-GFCCVEGCSA-N -1 0 305.399 3.583 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1 ZINC001594814608 981939246 /nfs/dbraw/zinc/93/92/46/981939246.db2.gz RCBRMGPDHSGBFP-UHFFFAOYSA-N -1 0 305.418 3.700 20 0 DHADRM CCC(C)(C)OCc1cccc(NC(=O)C2(C(=O)[O-])CC2)c1C ZINC001594814668 981940363 /nfs/dbraw/zinc/94/03/63/981940363.db2.gz VMRUJLIPXGWFRH-UHFFFAOYSA-N -1 0 319.401 3.504 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001594815903 981948087 /nfs/dbraw/zinc/94/80/87/981948087.db2.gz UJBCUJIQKNMASY-UHFFFAOYSA-N -1 0 300.358 3.653 20 0 DHADRM CCCC[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC001595644735 981980535 /nfs/dbraw/zinc/98/05/35/981980535.db2.gz INYWEFYFCVGSGU-MRXNPFEDSA-N -1 0 313.353 3.549 20 0 DHADRM CCCC[C@H](Nc1ccn([C@@H](C)c2ccccc2)n1)C(=O)[O-] ZINC001595646776 982001669 /nfs/dbraw/zinc/00/16/69/982001669.db2.gz UJYXEOQJUKZOKM-ZFWWWQNUSA-N -1 0 301.390 3.548 20 0 DHADRM CCC(C)(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594829451 982004257 /nfs/dbraw/zinc/00/42/57/982004257.db2.gz GVHZAQARCPGJCN-UHFFFAOYSA-N -1 0 300.358 3.698 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccsc1 ZINC000910621838 982029156 /nfs/dbraw/zinc/02/91/56/982029156.db2.gz MKKQPMWHUIBCAX-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM CCCC(=CC(=O)Nc1nc(CCC(=O)[O-])cs1)CCC ZINC000910645164 982038095 /nfs/dbraw/zinc/03/80/95/982038095.db2.gz WLGKLVWRPOCBBC-UHFFFAOYSA-N -1 0 310.419 3.625 20 0 DHADRM CCCC[C@H](SCc1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC001595654850 982041988 /nfs/dbraw/zinc/04/19/88/982041988.db2.gz FTLHIEHNBUFHHU-ZDUSSCGKSA-N -1 0 314.403 3.505 20 0 DHADRM CCCC[C@@H](SCC(=O)N(c1ccccc1)C(C)C)C(=O)[O-] ZINC001595655004 982042769 /nfs/dbraw/zinc/04/27/69/982042769.db2.gz GZGRSZNOMCETJR-OAHLLOKOSA-N -1 0 323.458 3.805 20 0 DHADRM CCCC[C@H](SCC(=O)Nc1ccc(CC)cc1)C(=O)[O-] ZINC001595656122 982050360 /nfs/dbraw/zinc/05/03/60/982050360.db2.gz UONJRJYZQSSLEN-AWEZNQCLSA-N -1 0 309.431 3.564 20 0 DHADRM CCCCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC001595656564 982054447 /nfs/dbraw/zinc/05/44/47/982054447.db2.gz AAJUQPGCIOFLGN-HNNXBMFYSA-N -1 0 309.450 3.744 20 0 DHADRM CCCC[C@H](SCc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC001595656829 982055714 /nfs/dbraw/zinc/05/57/14/982055714.db2.gz DFJZOPMZVLFKOM-NSHDSACASA-N -1 0 307.337 3.977 20 0 DHADRM CCCC[C@@H](SCc1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001595657847 982066643 /nfs/dbraw/zinc/06/66/43/982066643.db2.gz TZNXOCXXEMNKIT-GFCCVEGCSA-N -1 0 306.387 3.613 20 0 DHADRM CCCC[C@@H](Sc1nc2ccccc2c(NCC)n1)C(=O)[O-] ZINC001595658037 982068527 /nfs/dbraw/zinc/06/85/27/982068527.db2.gz ZZBGJXZTADQTQZ-CYBMUJFWSA-N -1 0 319.430 3.797 20 0 DHADRM CCCCC1CCC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1 ZINC001595661180 982074884 /nfs/dbraw/zinc/07/48/84/982074884.db2.gz QOXGPFUNWAATST-HKLFFYFNSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C\C2CCCC2)nc1C(=O)[O-] ZINC000910705840 982075988 /nfs/dbraw/zinc/07/59/88/982075988.db2.gz MAGVYASYXGCASU-FPLPWBNLSA-N -1 0 308.403 3.650 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C/C2CCCC2)nc1C(=O)[O-] ZINC000910705839 982076020 /nfs/dbraw/zinc/07/60/20/982076020.db2.gz MAGVYASYXGCASU-BQYQJAHWSA-N -1 0 308.403 3.650 20 0 DHADRM CCCCC[C@@H](C(=O)NCc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC001595663518 982085077 /nfs/dbraw/zinc/08/50/77/982085077.db2.gz ZQAMKCJQSMHVBZ-CQSZACIVSA-N -1 0 309.406 3.755 20 0 DHADRM CC[C@@H](C)CCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910725169 982089251 /nfs/dbraw/zinc/08/92/51/982089251.db2.gz VYKQRTBRQAITDM-PWSUYJOCSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595665982 982095428 /nfs/dbraw/zinc/09/54/28/982095428.db2.gz AJYIBJHICXMTDX-YVEFUNNKSA-N -1 0 323.408 3.983 20 0 DHADRM CCCCC[C@H](C)CC(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595666063 982096790 /nfs/dbraw/zinc/09/67/90/982096790.db2.gz DKOMHOWURIGTTA-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H](CC)Sc1ccccc1)C(=O)[O-] ZINC001595670597 982120175 /nfs/dbraw/zinc/12/01/75/982120175.db2.gz SFGDZRYMHNSOOQ-LSDHHAIUSA-N -1 0 323.458 3.707 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595670735 982120959 /nfs/dbraw/zinc/12/09/59/982120959.db2.gz VCIXJHGIGUSREP-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910804177 982125281 /nfs/dbraw/zinc/12/52/81/982125281.db2.gz BOOONHHKJASQSY-UHFFFAOYSA-N -1 0 323.392 3.645 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-] ZINC001595676505 982147326 /nfs/dbraw/zinc/14/73/26/982147326.db2.gz LIQRCQUIPGZAGM-ZDUSSCGKSA-N -1 0 311.447 3.772 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC001595677675 982152223 /nfs/dbraw/zinc/15/22/23/982152223.db2.gz ZXVWBRHGIMPBMI-CQSZACIVSA-N -1 0 316.401 3.548 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1F ZINC000313245149 1014811443 /nfs/dbraw/zinc/81/14/43/1014811443.db2.gz LIWFZQCTBFDIPA-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595689564 982187515 /nfs/dbraw/zinc/18/75/15/982187515.db2.gz DAIQPPJNURYGSU-CQSZACIVSA-N -1 0 319.405 3.665 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595689776 982188781 /nfs/dbraw/zinc/18/87/81/982188781.db2.gz FFQLEPBSBPAAOW-HRCADAONSA-N -1 0 324.465 3.774 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594881577 982241471 /nfs/dbraw/zinc/24/14/71/982241471.db2.gz SGKLNYDQYKHNDJ-MKBNYLNASA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594884581 982263620 /nfs/dbraw/zinc/26/36/20/982263620.db2.gz WVTNLJZMAYYGDM-NVTNGVPWSA-N -1 0 317.429 3.613 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001595710878 982296871 /nfs/dbraw/zinc/29/68/71/982296871.db2.gz MYHDEHCBZNJOLT-KGLIPLIRSA-N -1 0 321.417 3.799 20 0 DHADRM CCCCCCSCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595714465 982308474 /nfs/dbraw/zinc/30/84/74/982308474.db2.gz ARUZFOGXFMVFLX-UHFFFAOYSA-N -1 0 309.431 3.945 20 0 DHADRM CCC1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000911246042 982310210 /nfs/dbraw/zinc/31/02/10/982310210.db2.gz QPLSSPSSPWSVST-LBPRGKRZSA-N -1 0 321.442 3.514 20 0 DHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCC[C@H](C)C1 ZINC001595735856 982380810 /nfs/dbraw/zinc/38/08/10/982380810.db2.gz OPPDQDZYVJASOH-BBRMVZONSA-N -1 0 318.417 3.601 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC001594928517 982538817 /nfs/dbraw/zinc/53/88/17/982538817.db2.gz JKRCUVNFTQJSKM-SKDRFNHKSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@@H](C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])C1CCC(C)CC1 ZINC001594937048 982597630 /nfs/dbraw/zinc/59/76/30/982597630.db2.gz QRPDJTKLRIBHHL-VLSVSDDBSA-N -1 0 311.466 3.845 20 0 DHADRM CCCCc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001595796582 982602690 /nfs/dbraw/zinc/60/26/90/982602690.db2.gz PEXQHYKEXJJGPQ-HNNXBMFYSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594938022 982604289 /nfs/dbraw/zinc/60/42/89/982604289.db2.gz CUKJHDJGULRXLE-JLJPHGGASA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001594939979 982612059 /nfs/dbraw/zinc/61/20/59/982612059.db2.gz WTUJJQUTXKAYPP-WBMJQRKESA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)Oc1c(NC(=O)C2CCCCC2)cccc1C(=O)[O-] ZINC000911738770 982621447 /nfs/dbraw/zinc/62/14/47/982621447.db2.gz HFVKOXVJHBKOBM-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001594943057 982621716 /nfs/dbraw/zinc/62/17/16/982621716.db2.gz UKTCBABHCAMZLG-CXAGYDPISA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594943127 982622325 /nfs/dbraw/zinc/62/23/25/982622325.db2.gz UZPZVXRKZSVQMC-XJKSGUPXSA-N -1 0 319.445 3.532 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC001594944559 982627820 /nfs/dbraw/zinc/62/78/20/982627820.db2.gz GQEAPXCWDOUKBS-YGRLFVJLSA-N -1 0 317.385 3.669 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(C)c(Cl)cc1C)C(=O)[O-] ZINC001594944746 982628223 /nfs/dbraw/zinc/62/82/23/982628223.db2.gz IWBNFWYBQOBOEP-LKFCYVNXSA-N -1 0 311.809 3.576 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001594944914 982629276 /nfs/dbraw/zinc/62/92/76/982629276.db2.gz KWQMVLZPEOGXMA-KOLCDFICSA-N -1 0 323.776 3.705 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911756448 982633857 /nfs/dbraw/zinc/63/38/57/982633857.db2.gz WJYIOWMLSLGVHE-GHMZBOCLSA-N -1 0 311.328 3.628 20 0 DHADRM CCCCn1ncc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1C ZINC001595810247 982643573 /nfs/dbraw/zinc/64/35/73/982643573.db2.gz ILYNWFZZYHJGHY-JTQLQIEISA-N -1 0 307.419 3.924 20 0 DHADRM CC[C@H](C)C[C@@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC001594952245 982665718 /nfs/dbraw/zinc/66/57/18/982665718.db2.gz GSLBHRDSTYMOBF-JOYOIKCWSA-N -1 0 323.343 3.869 20 0 DHADRM CCCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595817020 982677377 /nfs/dbraw/zinc/67/73/77/982677377.db2.gz OEGCMCAKBKPOQJ-XHPSBEMXSA-N -1 0 317.429 3.925 20 0 DHADRM CCCN(C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(C)C ZINC001595823871 982701051 /nfs/dbraw/zinc/70/10/51/982701051.db2.gz ZLSQUQMIXCWJBI-ZDUSSCGKSA-N -1 0 306.406 3.602 20 0 DHADRM CC[C@H](C)CCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594959103 982703851 /nfs/dbraw/zinc/70/38/51/982703851.db2.gz LJKQCBVBQAVINV-AWEZNQCLSA-N -1 0 305.418 3.950 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001594959098 982703885 /nfs/dbraw/zinc/70/38/85/982703885.db2.gz KYFSEOORYUVRRD-NSHDSACASA-N -1 0 317.389 3.806 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001594959107 982703929 /nfs/dbraw/zinc/70/39/29/982703929.db2.gz LMWWCANRZWJOPT-GFCCVEGCSA-N -1 0 308.374 3.905 20 0 DHADRM CC[C@H](C)CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001594959344 982705766 /nfs/dbraw/zinc/70/57/66/982705766.db2.gz RMGIQRUQQVKRQK-WMLDXEAASA-N -1 0 319.445 3.886 20 0 DHADRM CCCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC001595827663 982714031 /nfs/dbraw/zinc/71/40/31/982714031.db2.gz WCHKWUHNRLSFBT-AWEZNQCLSA-N -1 0 311.381 3.679 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000923092918 982718161 /nfs/dbraw/zinc/71/81/61/982718161.db2.gz OXSJZRYZJXFKQR-VHSXEESVSA-N -1 0 307.396 3.558 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118791 982737550 /nfs/dbraw/zinc/73/75/50/982737550.db2.gz GQNRJTZQPHBLBS-HNNXBMFYSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1coc2ccc(C(C)C)cc12 ZINC001594978186 982758814 /nfs/dbraw/zinc/75/88/14/982758814.db2.gz JYFWAHKFAXCYTD-GFCCVEGCSA-N -1 0 317.385 3.882 20 0 DHADRM CC[C@H](C)N(CC)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594983596 982786207 /nfs/dbraw/zinc/78/62/07/982786207.db2.gz GSOMCROFWAOZAS-LBPRGKRZSA-N -1 0 322.405 3.824 20 0 DHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccs1 ZINC000923212393 982843181 /nfs/dbraw/zinc/84/31/81/982843181.db2.gz XCQYTMXGZLUYBH-GFCCVEGCSA-N -1 0 309.431 3.536 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccc(F)cc1F ZINC001595886145 982915043 /nfs/dbraw/zinc/91/50/43/982915043.db2.gz ZWRQXBDJGMNMIW-UHFFFAOYSA-N -1 0 323.339 3.977 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001595009053 982932056 /nfs/dbraw/zinc/93/20/56/982932056.db2.gz BIOVWTMMEUWKDN-CYBMUJFWSA-N -1 0 305.418 3.963 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC001595009302 982933767 /nfs/dbraw/zinc/93/37/67/982933767.db2.gz VMMHPDNQWAISKN-UCQBOQSVSA-N -1 0 303.402 3.775 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001595014191 982950112 /nfs/dbraw/zinc/95/01/12/982950112.db2.gz PDFJXESAPFPXQA-LLVKDONJSA-N -1 0 316.357 3.813 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC001595014479 982952891 /nfs/dbraw/zinc/95/28/91/982952891.db2.gz UDBKHHYNPJTCOE-LLVKDONJSA-N -1 0 315.373 3.881 20 0 DHADRM CC(C)(C)c1ncc(CN[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001119601941 983002424 /nfs/dbraw/zinc/00/24/24/983002424.db2.gz NFCXPNPLPKWIJC-KRWDZBQOSA-N -1 0 318.442 3.530 20 0 DHADRM CCCOCCOC(=O)Oc1cccc2sc(C(=O)[O-])cc21 ZINC001595945915 983104991 /nfs/dbraw/zinc/10/49/91/983104991.db2.gz DDFPAYFNZMFJBM-UHFFFAOYSA-N -1 0 324.354 3.542 20 0 DHADRM CCCOc1ccc(COC(=O)CC(C)(C)CC(=O)[O-])c(C)c1 ZINC001595961072 983155860 /nfs/dbraw/zinc/15/58/60/983155860.db2.gz RDENNMLQQOIKRC-UHFFFAOYSA-N -1 0 322.401 3.718 20 0 DHADRM CCCOc1ccc(COC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001595961391 983159582 /nfs/dbraw/zinc/15/95/82/983159582.db2.gz ZXSSNIOINKYULW-UHFFFAOYSA-N -1 0 314.337 3.531 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(F)c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045228 983331875 /nfs/dbraw/zinc/33/18/75/983331875.db2.gz FBPDWMPWBXAPSN-UHFFFAOYSA-N -1 0 322.311 3.504 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(C)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045441 983333556 /nfs/dbraw/zinc/33/35/56/983333556.db2.gz OIXWTMZPTZKGDF-UHFFFAOYSA-N -1 0 314.385 3.843 20 0 DHADRM Cc1c(C(=O)[O-])csc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000581499997 1014939274 /nfs/dbraw/zinc/93/92/74/1014939274.db2.gz ZZJDVQPGCSYFMZ-AWEZNQCLSA-N -1 0 318.394 3.727 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])s1 ZINC001596062916 983373792 /nfs/dbraw/zinc/37/37/92/983373792.db2.gz MUGIUFOGVXHOII-UHFFFAOYSA-N -1 0 319.382 3.660 20 0 DHADRM CCCc1ccc(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)s1 ZINC001596063139 983374431 /nfs/dbraw/zinc/37/44/31/983374431.db2.gz ROABFRPZDYZCAM-UHFFFAOYSA-N -1 0 324.789 3.700 20 0 DHADRM CCCc1ccc(OC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001596068542 983382307 /nfs/dbraw/zinc/38/23/07/983382307.db2.gz JVQGMLNOSPWPQX-UHFFFAOYSA-N -1 0 304.386 3.970 20 0 DHADRM CCCc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001596070507 983385731 /nfs/dbraw/zinc/38/57/31/983385731.db2.gz HVXUFUOFINXSFI-UHFFFAOYSA-N -1 0 323.392 3.536 20 0 DHADRM CCN(C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C)c1ccccc1C(=O)[O-] ZINC001596131737 983479370 /nfs/dbraw/zinc/47/93/70/983479370.db2.gz RMFMJUJTHDELGR-DOPJRALCSA-N -1 0 323.392 3.787 20 0 DHADRM CCN(C(=O)C[C@H](C)CCC=C(C)C)c1ncc(C(=O)[O-])s1 ZINC001596134357 983483503 /nfs/dbraw/zinc/48/35/03/983483503.db2.gz WZYYZRHKZHZQQL-GFCCVEGCSA-N -1 0 324.446 3.967 20 0 DHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001596136778 983484736 /nfs/dbraw/zinc/48/47/36/983484736.db2.gz FUOSPYFRMDTJNA-VOTSOKGWSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001596137979 983488365 /nfs/dbraw/zinc/48/83/65/983488365.db2.gz QAVPOIZGHDQQSM-FPLPWBNLSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)CCc1ccc(CC(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596140266 983493166 /nfs/dbraw/zinc/49/31/66/983493166.db2.gz WJJIUKVGMWQECL-UHFFFAOYSA-N -1 0 319.445 3.529 20 0 DHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1C ZINC001596143029 983495626 /nfs/dbraw/zinc/49/56/26/983495626.db2.gz HHOTTYAOCLUVMU-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001596143960 983499198 /nfs/dbraw/zinc/49/91/98/983499198.db2.gz YRSRKGRRAAYXNS-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(C(=O)Cc1coc2ccccc12)c1ccccc1C(=O)[O-] ZINC001596147648 983502696 /nfs/dbraw/zinc/50/26/96/983502696.db2.gz BJTFSTDNOILIFH-UHFFFAOYSA-N -1 0 323.348 3.727 20 0 DHADRM CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H](C)C(C)C ZINC001596150074 983509084 /nfs/dbraw/zinc/50/90/84/983509084.db2.gz BEEXEYFDVTVSDY-LLVKDONJSA-N -1 0 317.389 3.764 20 0 DHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)C1CC(C)(C)C1 ZINC001596150070 983509191 /nfs/dbraw/zinc/50/91/91/983509191.db2.gz BBGWINAAKWECGH-UHFFFAOYSA-N -1 0 310.419 3.797 20 0 DHADRM CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@H](C)C(C)C ZINC001596158917 983522676 /nfs/dbraw/zinc/52/26/76/983522676.db2.gz VVNBQAGCZWQKBL-UHOFOFEASA-N -1 0 318.417 3.773 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC001596167103 983531210 /nfs/dbraw/zinc/53/12/10/983531210.db2.gz HEAIKNFCAWKAQU-UHFFFAOYSA-N -1 0 322.364 3.841 20 0 DHADRM CCN(CC(C)(C)C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001596228715 983620515 /nfs/dbraw/zinc/62/05/15/983620515.db2.gz QQXPEGGGNMNCLB-CYBMUJFWSA-N -1 0 320.433 3.850 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262184779 1014966989 /nfs/dbraw/zinc/96/69/89/1014966989.db2.gz MTOSKCLQZRWLLY-AWEZNQCLSA-N -1 0 311.381 3.503 20 0 DHADRM CCN(CCOc1cccc(C(=O)[O-])c1)c1cccc(C)c1C ZINC001596345473 983793859 /nfs/dbraw/zinc/79/38/59/983793859.db2.gz LGQIXUSDENPYHD-UHFFFAOYSA-N -1 0 313.397 3.907 20 0 DHADRM C[C@H](Cc1ccsc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000581566790 1015003608 /nfs/dbraw/zinc/00/36/08/1015003608.db2.gz IFPVQBPRYJFNBX-MRVPVSSYSA-N -1 0 313.781 3.607 20 0 DHADRM CCOC(=O)CCCCCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596604022 984567626 /nfs/dbraw/zinc/56/76/26/984567626.db2.gz WEPWEHKFLCSGOF-UHFFFAOYSA-N -1 0 314.765 3.541 20 0 DHADRM C/C(=C(/F)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC1 ZINC001588933645 984612814 /nfs/dbraw/zinc/61/28/14/984612814.db2.gz VQGVPSZTNQOXMB-GDNBJRDFSA-N -1 0 323.389 3.845 20 0 DHADRM C/C(=C/C(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccs1 ZINC001588939565 984629616 /nfs/dbraw/zinc/62/96/16/984629616.db2.gz XWGVTRDHBVEWKU-RAXLEYEMSA-N -1 0 321.442 3.693 20 0 DHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588939754 984630806 /nfs/dbraw/zinc/63/08/06/984630806.db2.gz SCFRJPZLTKOELH-FFWXCITRSA-N -1 0 315.413 3.548 20 0 DHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588939757 984631500 /nfs/dbraw/zinc/63/15/00/984631500.db2.gz SCFRJPZLTKOELH-SZEUEKNRSA-N -1 0 315.413 3.548 20 0 DHADRM C/C(=C\C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1C ZINC001588940107 984632640 /nfs/dbraw/zinc/63/26/40/984632640.db2.gz XSTDVBUDEKWAGW-SDNWHVSQSA-N -1 0 321.376 3.686 20 0 DHADRM C/C(=C/C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccco1 ZINC001588943848 984641833 /nfs/dbraw/zinc/64/18/33/984641833.db2.gz GBOBNCSUSFURQI-UBGRJXSISA-N -1 0 311.337 3.510 20 0 DHADRM C/C(=C/C(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccco1 ZINC001588943953 984642771 /nfs/dbraw/zinc/64/27/71/984642771.db2.gz KDOLKJIXXPEMSV-FPLPWBNLSA-N -1 0 305.355 3.698 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC001588943918 984642823 /nfs/dbraw/zinc/64/28/23/984642823.db2.gz IYSLUIULHOLIJY-CLFYSBASSA-N -1 0 305.330 3.627 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588944520 984649195 /nfs/dbraw/zinc/64/91/95/984649195.db2.gz YOOKAOYQDBYURD-MDZDMXLPSA-N -1 0 317.291 3.705 20 0 DHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC001599887991 984659670 /nfs/dbraw/zinc/65/96/70/984659670.db2.gz FBDZJLVEIWOBCB-XHDPSFHLSA-N -1 0 318.756 3.813 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001588952952 984690457 /nfs/dbraw/zinc/69/04/57/984690457.db2.gz FZXKCHAAQMXAPY-QXMHVHEDSA-N -1 0 307.365 3.626 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599891249 984696873 /nfs/dbraw/zinc/69/68/73/984696873.db2.gz OWDHGQJDZICCDP-CQSZACIVSA-N -1 0 309.450 3.887 20 0 DHADRM CCc1cc(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000191435614 1015065684 /nfs/dbraw/zinc/06/56/84/1015065684.db2.gz HQPCPNURLRFDNZ-GFCCVEGCSA-N -1 0 315.369 3.666 20 0 DHADRM O=C([O-])c1ccc(-c2nc(=O)c3c4ccccc4sc3[nH]2)cc1 ZINC000077251918 1015074535 /nfs/dbraw/zinc/07/45/35/1015074535.db2.gz AGANNAYFRLGTRP-UHFFFAOYSA-N -1 0 322.345 3.503 20 0 DHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(Cl)c(Cl)c1 ZINC001599902856 984872722 /nfs/dbraw/zinc/87/27/22/984872722.db2.gz RAORVRUJPFLLEV-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001599903832 984896068 /nfs/dbraw/zinc/89/60/68/984896068.db2.gz LPJWJZAVXTZBSI-IVZWLZJFSA-N -1 0 316.806 3.897 20 0 DHADRM C[C@H](OC(=O)/C=C/c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001599903973 984898380 /nfs/dbraw/zinc/89/83/80/984898380.db2.gz VFVYZWFGTCKDAP-IIANPFDCSA-N -1 0 314.312 3.842 20 0 DHADRM C[C@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1c(F)cccc1F ZINC001599904168 984901436 /nfs/dbraw/zinc/90/14/36/984901436.db2.gz JFXSZDVLFOZOCR-XZLDQRQTSA-N -1 0 322.263 3.574 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001588998360 984934992 /nfs/dbraw/zinc/93/49/92/984934992.db2.gz JSVPDDBECLZPMN-PKNBQFBNSA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001588999005 984936436 /nfs/dbraw/zinc/93/64/36/984936436.db2.gz PXEVIVZHYOYKAU-BENRWUELSA-N -1 0 313.328 3.874 20 0 DHADRM CC(=C\c1ccccc1)/C=C1\C(=O)Nc2cc(F)c(C(=O)[O-])cc21 ZINC001589001487 984945510 /nfs/dbraw/zinc/94/55/10/984945510.db2.gz KRYURPHUGVCZOO-IRRVLEPVSA-N -1 0 323.323 3.963 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)c1ncc(C(=O)[O-])cc1Cl ZINC001589003844 984957856 /nfs/dbraw/zinc/95/78/56/984957856.db2.gz NUXDJAUDHMHXQV-XYOKQWHBSA-N -1 0 316.788 3.973 20 0 DHADRM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001589030414 985061467 /nfs/dbraw/zinc/06/14/67/985061467.db2.gz TXVBBBVJNUEAAK-UHFFFAOYSA-N -1 0 319.401 3.842 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C1CC1 ZINC000656737810 1015109536 /nfs/dbraw/zinc/10/95/36/1015109536.db2.gz ATUWSWWFKQEWNS-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM C[C@H]1c2ccccc2CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599937318 985411817 /nfs/dbraw/zinc/41/18/17/985411817.db2.gz WCHPVUBZSMWFBY-JTQLQIEISA-N -1 0 315.756 3.755 20 0 DHADRM CC(=O)Nc1c(C)ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])c1C ZINC001589165286 985503882 /nfs/dbraw/zinc/50/38/82/985503882.db2.gz CVRKTJCYIZVZFY-GFCCVEGCSA-N -1 0 320.433 3.953 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccsc2C(=O)[O-])Cc2ccccc21 ZINC001594481719 985531268 /nfs/dbraw/zinc/53/12/68/985531268.db2.gz FFNLAFLHVVWJCD-JTQLQIEISA-N -1 0 316.382 3.598 20 0 DHADRM CC(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656765262 1015138592 /nfs/dbraw/zinc/13/85/92/1015138592.db2.gz NFDFTOVPEGRZDV-QLFBSQMISA-N -1 0 322.474 3.732 20 0 DHADRM Cc1ccc(C[C@@H](Sc2cc(C(C)C)ncn2)C(=O)[O-])cc1 ZINC000656780566 1015146342 /nfs/dbraw/zinc/14/63/42/1015146342.db2.gz BKOMGYGHJILSKO-OAHLLOKOSA-N -1 0 316.426 3.696 20 0 DHADRM Cc1[nH]c(CNc2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC001599962719 985821942 /nfs/dbraw/zinc/82/19/42/985821942.db2.gz CXINEZOJAYQYKG-UHFFFAOYSA-N -1 0 302.374 3.558 20 0 DHADRM CC(=O)c1c(C)cc(C)c(CSc2nc(C(=O)[O-])c[nH]2)c1C ZINC001589254289 985883516 /nfs/dbraw/zinc/88/35/16/985883516.db2.gz HHOWWWHYHYFDDA-UHFFFAOYSA-N -1 0 318.398 3.528 20 0 DHADRM CCOCCCCCC(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001596907404 985889833 /nfs/dbraw/zinc/88/98/33/985889833.db2.gz GWJIDLKLPQFBON-UHFFFAOYSA-N -1 0 313.419 3.544 20 0 DHADRM Cc1nc(S[C@@H](CC(C)C)C(=O)[O-])[nH]c1Cc1ccccc1 ZINC001599965425 985894185 /nfs/dbraw/zinc/89/41/85/985894185.db2.gz BRLXKGKCICXXAA-HNNXBMFYSA-N -1 0 318.442 3.900 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599966036 985907098 /nfs/dbraw/zinc/90/70/98/985907098.db2.gz CXXDNLUYUNWTSA-UHFFFAOYSA-N -1 0 314.366 3.797 20 0 DHADRM CC(=O)c1ccc(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001589291020 986034330 /nfs/dbraw/zinc/03/43/30/986034330.db2.gz MAPVWKDPBZIRTM-FZMZJTMJSA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1ccc(OCc2ccccc2CC(=O)[O-])cc1Cl ZINC001589297207 986037872 /nfs/dbraw/zinc/03/78/72/986037872.db2.gz BHROMZAXXIMMQR-UHFFFAOYSA-N -1 0 318.756 3.749 20 0 DHADRM CC(=O)c1cccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC001589309750 986082244 /nfs/dbraw/zinc/08/22/44/986082244.db2.gz RRXXBZOQCDZVNK-LBPRGKRZSA-N -1 0 312.321 3.505 20 0 DHADRM C[C@H]1CN(Cc2ccsc2C(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594547165 986221888 /nfs/dbraw/zinc/22/18/88/986221888.db2.gz HJLSSBWTNSPNEY-VIFPVBQESA-N -1 0 323.801 3.887 20 0 DHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(Cl)cc1 ZINC001589341653 986254160 /nfs/dbraw/zinc/25/41/60/986254160.db2.gz KKMRMBXLRBOJFE-LBPRGKRZSA-N -1 0 323.820 3.689 20 0 DHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(Cl)cc1 ZINC001589341652 986254481 /nfs/dbraw/zinc/25/44/81/986254481.db2.gz KKMRMBXLRBOJFE-GFCCVEGCSA-N -1 0 323.820 3.689 20 0 DHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)[C@H](C)C(C)(C)C ZINC001589341842 986258171 /nfs/dbraw/zinc/25/81/71/986258171.db2.gz CAAYYMCGFFJVGY-CABCVRRESA-N -1 0 319.445 3.808 20 0 DHADRM C[C@H](C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001589341853 986258748 /nfs/dbraw/zinc/25/87/48/986258748.db2.gz CAKNIGBSEGRQLQ-SRVKXCTJSA-N -1 0 323.820 3.544 20 0 DHADRM Cc1cc(-c2cc(C(=O)[O-])cs2)ccc1O[C@@H]1CCOC1 ZINC000581677572 1015204196 /nfs/dbraw/zinc/20/41/96/1015204196.db2.gz GKMPLBHPAHHGOD-CYBMUJFWSA-N -1 0 304.367 3.589 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001589342682 986272109 /nfs/dbraw/zinc/27/21/09/986272109.db2.gz QGBLMBTYWJKZQX-RRFJBIMHSA-N -1 0 319.445 3.807 20 0 DHADRM CCOc1c(Cl)cc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC001596993219 986281710 /nfs/dbraw/zinc/28/17/10/986281710.db2.gz ZDSQKVKPCBGPHE-FKTZTGRPSA-N -1 0 318.200 3.913 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)C(C)(C)C ZINC001589346251 986285232 /nfs/dbraw/zinc/28/52/32/986285232.db2.gz NIOGPZOWHZXTQY-SCRDCRAPSA-N -1 0 303.402 3.520 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC[C@H]1CC ZINC001597010123 986348968 /nfs/dbraw/zinc/34/89/68/986348968.db2.gz VOTAKBRYHAMCGA-DGCLKSJQSA-N -1 0 305.374 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC[C@@H]1CC ZINC001597010126 986349113 /nfs/dbraw/zinc/34/91/13/986349113.db2.gz VOTAKBRYHAMCGA-WCQYABFASA-N -1 0 305.374 3.548 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CCc2c1cccc2C(=O)[O-])C(C)(C)C ZINC001589364278 986382986 /nfs/dbraw/zinc/38/29/86/986382986.db2.gz DJBMZWZQTRUNHF-NWDGAFQWSA-N -1 0 303.402 3.592 20 0 DHADRM C[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@H](C)C(C)(C)C ZINC001589365728 986394231 /nfs/dbraw/zinc/39/42/31/986394231.db2.gz YNSATLOFLNNTAW-OLZOCXBDSA-N -1 0 317.429 3.588 20 0 DHADRM C[C@H]1CSC(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])=N1 ZINC001594609648 986597629 /nfs/dbraw/zinc/59/76/29/986597629.db2.gz IWIFHQPLKJGCGQ-GZMMTYOYSA-N -1 0 315.847 3.560 20 0 DHADRM C[C@@H]1Cc2c(ncn2Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC001594625218 986690288 /nfs/dbraw/zinc/69/02/88/986690288.db2.gz GRJYESQYGDXNDI-WDEREUQCSA-N -1 0 318.804 3.654 20 0 DHADRM CCOc1ccc(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)o1 ZINC001597101358 986716797 /nfs/dbraw/zinc/71/67/97/986716797.db2.gz ZUWGLAYKEGKJAQ-MRXNPFEDSA-N -1 0 317.385 3.716 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1F ZINC001597112921 986783361 /nfs/dbraw/zinc/78/33/61/986783361.db2.gz PITJERQGTBOLPZ-GHMZBOCLSA-N -1 0 323.364 3.687 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)[C@@H](C)C(C)(C)C ZINC001589444530 986800212 /nfs/dbraw/zinc/80/02/12/986800212.db2.gz MRLNJRMAAWBTCB-RKDXNWHRSA-N -1 0 324.446 3.976 20 0 DHADRM CCOc1ccc(Sc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001597140529 986886547 /nfs/dbraw/zinc/88/65/47/986886547.db2.gz ZKVKVKPPSWSFFY-UHFFFAOYSA-N -1 0 309.774 3.983 20 0 DHADRM C[C@@H]1Oc2ccccc2[C@H]1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655159 986888108 /nfs/dbraw/zinc/88/81/08/986888108.db2.gz NAPAPSIOWGWPAO-CIISACIHSA-N -1 0 317.772 3.578 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 ZINC001589461466 986910558 /nfs/dbraw/zinc/91/05/58/986910558.db2.gz DMFPPPUZMUBNOP-TVQRCGJNSA-N -1 0 323.801 3.593 20 0 DHADRM CCOc1cccc(CSCc2ccc(C(=O)[O-])cc2)n1 ZINC001597155199 986948376 /nfs/dbraw/zinc/94/83/76/986948376.db2.gz HYNPBHPGTBYAMQ-UHFFFAOYSA-N -1 0 303.383 3.612 20 0 DHADRM CCOc1cccc(CNc2ccc(C(=O)[O-])cc2OCC)c1 ZINC001597155689 986952444 /nfs/dbraw/zinc/95/24/44/986952444.db2.gz RVMBJZMCEUUBCI-UHFFFAOYSA-N -1 0 315.369 3.794 20 0 DHADRM C/C=C(/C=C\C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)CC ZINC001594676966 987010790 /nfs/dbraw/zinc/01/07/90/987010790.db2.gz FYEGFCUQBCJEFE-HRAYPQCXSA-N -1 0 313.397 3.967 20 0 DHADRM CCOc1ccccc1N(C)Cc1cc(C(=O)[O-])oc1CC ZINC001597178240 987025556 /nfs/dbraw/zinc/02/55/56/987025556.db2.gz GFQCMYZVEMSDGZ-UHFFFAOYSA-N -1 0 303.358 3.575 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594685531 987055029 /nfs/dbraw/zinc/05/50/29/987055029.db2.gz DIFFVWFJXSXOQS-GWQWAINWSA-N -1 0 316.401 3.524 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594685881 987058533 /nfs/dbraw/zinc/05/85/33/987058533.db2.gz HZOILLMVLGJSTM-QAVQXKDTSA-N -1 0 321.804 3.857 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686237 987063884 /nfs/dbraw/zinc/06/38/84/987063884.db2.gz QGVBZGWJURPRHV-RDFMZFSFSA-N -1 0 316.401 3.903 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001594686572 987067253 /nfs/dbraw/zinc/06/72/53/987067253.db2.gz YRKATJKUTXNNBA-YWVDXFKGSA-N -1 0 302.374 3.595 20 0 DHADRM CC/C(=C/C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001594690885 987085430 /nfs/dbraw/zinc/08/54/30/987085430.db2.gz LEWIXQLFNIGLDR-QBOMHBFWSA-N -1 0 317.429 3.794 20 0 DHADRM CC/C(=C/C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691178 987087870 /nfs/dbraw/zinc/08/78/70/987087870.db2.gz QDMJOPVZWNUGLA-QXMHVHEDSA-N -1 0 323.820 3.751 20 0 DHADRM CC/C(=C\C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691358 987089633 /nfs/dbraw/zinc/08/96/33/987089633.db2.gz RQVNGCXCOOGNTJ-PABFRNLHSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C3CCC3)CCC2)cc1 ZINC001589501921 987101931 /nfs/dbraw/zinc/10/19/31/987101931.db2.gz ARHAMNMAZDAVET-GFCCVEGCSA-N -1 0 301.386 3.784 20 0 DHADRM CC/C(=C/C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001594694226 987106824 /nfs/dbraw/zinc/10/68/24/987106824.db2.gz RGYPGTUZUANYAN-ZROIWOOFSA-N -1 0 324.380 3.829 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC001589511311 987139025 /nfs/dbraw/zinc/13/90/25/987139025.db2.gz ADALFBXTOXMCDF-YVEFUNNKSA-N -1 0 324.380 3.684 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1 ZINC001589520807 987163012 /nfs/dbraw/zinc/16/30/12/987163012.db2.gz DBLXSKOTTUBUBN-LBPRGKRZSA-N -1 0 322.364 3.619 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC001589521832 987170633 /nfs/dbraw/zinc/17/06/33/987170633.db2.gz FUYRXFPAMWYSMA-PWSUYJOCSA-N -1 0 311.328 3.639 20 0 DHADRM CCC(=O)c1ccc(Oc2ncc(C(=O)[O-])cc2Cl)c(F)c1 ZINC001594721247 987204098 /nfs/dbraw/zinc/20/40/98/987204098.db2.gz YQHVGWKCWAPEBI-UHFFFAOYSA-N -1 0 323.707 3.957 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC001589531795 987206955 /nfs/dbraw/zinc/20/69/55/987206955.db2.gz KMSMCHYGHWEEQL-NSHDSACASA-N -1 0 309.321 3.873 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(F)c(F)cc2F)c1 ZINC001589532215 987211682 /nfs/dbraw/zinc/21/16/82/987211682.db2.gz OHGXTBZFGDZQCD-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccccc2F)c1 ZINC001589534183 987230275 /nfs/dbraw/zinc/23/02/75/987230275.db2.gz VSZCGUKBIVXSAG-LBPRGKRZSA-N -1 0 315.344 3.585 20 0 DHADRM CC[C@@H](C(=O)Nc1scc(C(=O)[O-])c1C)c1ccccc1 ZINC001594735649 987270394 /nfs/dbraw/zinc/27/03/94/987270394.db2.gz OXNIJPYGYGIHRQ-GFCCVEGCSA-N -1 0 303.383 3.887 20 0 DHADRM CC[C@H](C(=O)NCc1ccccc1C(=O)[O-])C1CCC(C)CC1 ZINC001594735712 987271071 /nfs/dbraw/zinc/27/10/71/987271071.db2.gz DTZHYWIXKOZRMR-XUJLQICISA-N -1 0 317.429 3.854 20 0 DHADRM C[C@@H](C(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccsc1 ZINC001589548074 987273174 /nfs/dbraw/zinc/27/31/74/987273174.db2.gz AFUHQBNWLYFWPK-SECBINFHSA-N -1 0 324.785 3.947 20 0 DHADRM CC[C@H](C(=O)Nc1scc(C)c1C(=O)[O-])c1ccccc1 ZINC001594736281 987276036 /nfs/dbraw/zinc/27/60/36/987276036.db2.gz WVLVNJCHKJAOKX-LBPRGKRZSA-N -1 0 303.383 3.887 20 0 DHADRM C[C@@H](C(=O)Oc1cccc2c(CC(=O)[O-])cccc12)c1ccco1 ZINC001589551972 987285127 /nfs/dbraw/zinc/28/51/27/987285127.db2.gz BFFISRJOTYNWDC-GFCCVEGCSA-N -1 0 324.332 3.769 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1F ZINC001597286058 987364463 /nfs/dbraw/zinc/36/44/63/987364463.db2.gz JEUBWTKHUQHBDX-GFCCVEGCSA-N -1 0 322.361 3.858 20 0 DHADRM CC(C)(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001589582724 987365211 /nfs/dbraw/zinc/36/52/11/987365211.db2.gz LZBMYGRPXHYKPY-UHFFFAOYSA-N -1 0 303.383 3.974 20 0 DHADRM CC[C@@H](NC(=O)Nc1c(C)sc(C)c1C(=O)[O-])C(F)(F)F ZINC001597286170 987366261 /nfs/dbraw/zinc/36/62/61/987366261.db2.gz OVGWBLKMAVMWNI-SSDOTTSWSA-N -1 0 324.324 3.526 20 0 DHADRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])c2ccccc21)C1CCC1 ZINC001589582821 987366326 /nfs/dbraw/zinc/36/63/26/987366326.db2.gz RZNMIZVKTABORQ-UHFFFAOYSA-N -1 0 312.369 3.698 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC23CCC(CC2)C3)cc1 ZINC001589636167 987551326 /nfs/dbraw/zinc/55/13/26/987551326.db2.gz FGBLJTHSAOJQBJ-UHFFFAOYSA-N -1 0 316.401 3.503 20 0 DHADRM CCc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001597412442 987705644 /nfs/dbraw/zinc/70/56/44/987705644.db2.gz HSHWEOSQVUHILR-UHFFFAOYSA-N -1 0 309.321 3.946 20 0 DHADRM CC(C)(C)C(=O)CSCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589685937 987729281 /nfs/dbraw/zinc/72/92/81/987729281.db2.gz KJSBKKAAKSHMDS-UHFFFAOYSA-N -1 0 317.410 3.781 20 0 DHADRM CCc1c[nH]c(S[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001597421536 987741284 /nfs/dbraw/zinc/74/12/84/987741284.db2.gz PXSHBVOJEIYOGS-LLVKDONJSA-N -1 0 314.769 3.683 20 0 DHADRM CC(C)(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001589693848 987770296 /nfs/dbraw/zinc/77/02/96/987770296.db2.gz GQDUFEIVXMBZRI-UHFFFAOYSA-N -1 0 315.822 3.891 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001589704703 987815030 /nfs/dbraw/zinc/81/50/30/987815030.db2.gz PGOTWYQBGWFWQY-MRXNPFEDSA-N -1 0 315.413 3.873 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C/C=C(Cl)Cl ZINC001597449768 987835435 /nfs/dbraw/zinc/83/54/35/987835435.db2.gz KFDIOZROXZTFPS-HWKANZROSA-N -1 0 314.168 3.761 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC001597453807 987857149 /nfs/dbraw/zinc/85/71/49/987857149.db2.gz SPNFFLWWAAEZLE-CQSZACIVSA-N -1 0 318.417 3.847 20 0 DHADRM CC(C)(C)[C@@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(F)cc1 ZINC001589720970 987885121 /nfs/dbraw/zinc/88/51/21/987885121.db2.gz VDSQCPCHAXKTLM-AWEZNQCLSA-N -1 0 303.337 3.513 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2cnccc21 ZINC001597463997 987896499 /nfs/dbraw/zinc/89/64/99/987896499.db2.gz KQFXPPSBDDVHNS-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001589728186 987927549 /nfs/dbraw/zinc/92/75/49/987927549.db2.gz FXHNXFGEESSXPS-LLVNNSLESA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589728185 987927910 /nfs/dbraw/zinc/92/79/10/987927910.db2.gz FXHNXFGEESSXPS-IVYWBBSESA-N -1 0 319.401 3.712 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)c1ccoc1CC(=O)[O-] ZINC001597471415 987932904 /nfs/dbraw/zinc/93/29/04/987932904.db2.gz IVCXMJVRGYCHNT-UHFFFAOYSA-N -1 0 315.369 3.592 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589728656 987935647 /nfs/dbraw/zinc/93/56/47/987935647.db2.gz NXTHLRUUVOXJDY-ZFWWWQNUSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589729307 987942376 /nfs/dbraw/zinc/94/23/76/987942376.db2.gz WVUUGUXHQAPSRC-KBPBESRZSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001589732106 987954970 /nfs/dbraw/zinc/95/49/70/987954970.db2.gz FSTCEBLADNBHKP-LLVKDONJSA-N -1 0 322.380 3.814 20 0 DHADRM C[C@H](OCc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474426594 1015349962 /nfs/dbraw/zinc/34/99/62/1015349962.db2.gz MFBOMKZQQVNKRB-JTQLQIEISA-N -1 0 323.751 3.729 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001589743118 988021532 /nfs/dbraw/zinc/02/15/32/988021532.db2.gz DDLXFQLVRXZOSJ-ZBFHGGJFSA-N -1 0 317.429 3.502 20 0 DHADRM O=C(Cc1c[nH]c2ccccc12)Nc1cc(F)cc(Cl)c1[O-] ZINC000474433242 1015358093 /nfs/dbraw/zinc/35/80/93/1015358093.db2.gz OLKNHDHJHCEBDC-UHFFFAOYSA-N -1 0 318.735 3.847 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)[C@H]1CCSc2ccccc21)C(=O)[O-] ZINC001589759927 988078955 /nfs/dbraw/zinc/07/89/55/988078955.db2.gz HDDJTORYZGMOLH-STQMWFEESA-N -1 0 322.426 3.699 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-] ZINC001589760400 988083746 /nfs/dbraw/zinc/08/37/46/988083746.db2.gz RHBDRXITAADHJK-NEPJUHHUSA-N -1 0 310.415 3.601 20 0 DHADRM Cn1cnc2ccc(-c3ccc4c(c3)CC[C@]43C[C@@H]3C(=O)[O-])cc21 ZINC000581835601 1015360776 /nfs/dbraw/zinc/36/07/76/1015360776.db2.gz FKSONKADZNHMEH-UZLBHIALSA-N -1 0 318.376 3.529 20 0 DHADRM O=C(CCc1ccc(F)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444193 1015363439 /nfs/dbraw/zinc/36/34/39/1015363439.db2.gz GNPPEMYYYCORLO-UHFFFAOYSA-N -1 0 311.715 3.895 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001589772058 988128768 /nfs/dbraw/zinc/12/87/68/988128768.db2.gz XZGDVCOJIXCUFG-OAHLLOKOSA-N -1 0 309.381 3.674 20 0 DHADRM CSc1ncc([N-]c2nnc(-c3ccco3)o2)cc1Cl ZINC001216025300 1015364865 /nfs/dbraw/zinc/36/48/65/1015364865.db2.gz NBNWYKSTKKNRNB-UHFFFAOYSA-N -1 0 308.750 3.844 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589780233 988149249 /nfs/dbraw/zinc/14/92/49/988149249.db2.gz ULXBLUYJKCELAV-KGLIPLIRSA-N -1 0 311.466 3.798 20 0 DHADRM CCc1ccc(CCC(=O)OCc2cc(C(=O)[O-])oc2C)cc1 ZINC001597523074 988158111 /nfs/dbraw/zinc/15/81/11/988158111.db2.gz FUWRENCLYGLFAE-UHFFFAOYSA-N -1 0 316.353 3.525 20 0 DHADRM CSCCc1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001599801807 988189066 /nfs/dbraw/zinc/18/90/66/988189066.db2.gz CDRFKJJZIKTXHI-UHFFFAOYSA-N -1 0 321.423 3.604 20 0 DHADRM CCc1ccc(NC(=O)[C@@H](C)c2ccc(C)o2)c(C(=O)[O-])c1 ZINC001597542974 988235640 /nfs/dbraw/zinc/23/56/40/988235640.db2.gz NJFIOFYPZVVXBY-NSHDSACASA-N -1 0 301.342 3.591 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599806798 988268379 /nfs/dbraw/zinc/26/83/79/988268379.db2.gz CVALGOKSHRQKTM-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1Cl ZINC001597551486 988276387 /nfs/dbraw/zinc/27/63/87/988276387.db2.gz IMVJWWBPHFEPCT-UHFFFAOYSA-N -1 0 307.733 3.754 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599807310 988277338 /nfs/dbraw/zinc/27/73/38/988277338.db2.gz MCHAOKMVDHHQOK-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1cc(C(=O)O[C@@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC001599808272 988291469 /nfs/dbraw/zinc/29/14/69/988291469.db2.gz ARYVUZOTOIZZOL-LURJTMIESA-N -1 0 323.197 3.735 20 0 DHADRM CSc1cc(C)c(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)o1 ZINC001599809071 988303043 /nfs/dbraw/zinc/30/30/43/988303043.db2.gz ZSNXZQRENNUPRG-UHFFFAOYSA-N -1 0 324.329 3.675 20 0 DHADRM CSc1cc(NC(=O)NCCCCCCC(=O)[O-])ccc1C ZINC001599809510 988309759 /nfs/dbraw/zinc/30/97/59/988309759.db2.gz IAYKVZIPCWRIDG-UHFFFAOYSA-N -1 0 324.446 3.874 20 0 DHADRM CSc1ccc(C)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001599812669 988364200 /nfs/dbraw/zinc/36/42/00/988364200.db2.gz OORFIKIWRSGUBD-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CSc1ccc(N(C)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001599813986 988388557 /nfs/dbraw/zinc/38/85/57/988388557.db2.gz DINQZMNRAYMXNR-UHFFFAOYSA-N -1 0 317.410 3.508 20 0 DHADRM O=C([O-])c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000013094524 1015382306 /nfs/dbraw/zinc/38/23/06/1015382306.db2.gz MPWZFNOUGAMHNO-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1C(=O)[O-] ZINC001599816067 988426864 /nfs/dbraw/zinc/42/68/64/988426864.db2.gz OWGVSSWIPGYHGO-GFCCVEGCSA-N -1 0 307.415 3.872 20 0 DHADRM CSc1ccc(NC(=O)N(C)CC(C)(C)C)cc1C(=O)[O-] ZINC001599816372 988432073 /nfs/dbraw/zinc/43/20/73/988432073.db2.gz FQXCLUHJBQZOPX-UHFFFAOYSA-N -1 0 310.419 3.617 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(Cl)c1F ZINC001597594777 988432699 /nfs/dbraw/zinc/43/26/99/988432699.db2.gz UESKLUMFBGBBDG-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC001599816625 988438063 /nfs/dbraw/zinc/43/80/63/988438063.db2.gz JRJGBFBEJKTNHI-UHFFFAOYSA-N -1 0 322.430 3.761 20 0 DHADRM CCc1cccc(OCCOc2cc(C(=O)[O-])ccc2C)c1 ZINC001597597892 988448002 /nfs/dbraw/zinc/44/80/02/988448002.db2.gz KKSKWNXPRNTGGT-UHFFFAOYSA-N -1 0 300.354 3.713 20 0 DHADRM CCc1ccccc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001597604543 988481177 /nfs/dbraw/zinc/48/11/77/988481177.db2.gz NXWQBVADOZTIPC-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CCc1ccccc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001597609406 988494209 /nfs/dbraw/zinc/49/42/09/988494209.db2.gz PCNYRYOFPOQEHU-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CSc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1 ZINC001599820962 988512032 /nfs/dbraw/zinc/51/20/32/988512032.db2.gz REZPKWMIQKRTPA-LBPRGKRZSA-N -1 0 317.410 3.873 20 0 DHADRM CSc1ccccc1CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599823733 988559991 /nfs/dbraw/zinc/55/99/91/988559991.db2.gz BDWKYEOVXRGFAO-SNVBAGLBSA-N -1 0 320.366 3.547 20 0 DHADRM CSc1ccsc1C(=O)OCc1ccsc1C(=O)[O-] ZINC001599825876 988597539 /nfs/dbraw/zinc/59/75/39/988597539.db2.gz AWUBCBBENHCBQE-UHFFFAOYSA-N -1 0 314.409 3.587 20 0 DHADRM CCc1cncc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c1 ZINC001597633326 988605504 /nfs/dbraw/zinc/60/55/04/988605504.db2.gz ALIDRGMNDNVQON-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CCc1csc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001597641813 988641176 /nfs/dbraw/zinc/64/11/76/988641176.db2.gz LAHIBOMELWOXCS-GFCCVEGCSA-N -1 0 311.403 3.633 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC001599832285 988692253 /nfs/dbraw/zinc/69/22/53/988692253.db2.gz DLYBZEUSYJQBGC-JTQLQIEISA-N -1 0 312.325 3.571 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)s1 ZINC001597656638 988711421 /nfs/dbraw/zinc/71/14/21/988711421.db2.gz AWCBDOQTTKYUFG-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599835491 988735724 /nfs/dbraw/zinc/73/57/24/988735724.db2.gz WOPKYQKZQYLKMA-JTQLQIEISA-N -1 0 310.419 3.927 20 0 DHADRM C[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CCCC1 ZINC001599840099 988812522 /nfs/dbraw/zinc/81/25/22/988812522.db2.gz CPDNGKLPXXDXJE-SNVBAGLBSA-N -1 0 315.373 3.566 20 0 DHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc2c(c1)CCCC2 ZINC001599841732 988849957 /nfs/dbraw/zinc/84/99/57/988849957.db2.gz HDPOAKXUQQCCDT-LLVKDONJSA-N -1 0 316.426 3.571 20 0 DHADRM CCc1nc2cc(N[C@H](C)c3cncc(C(=O)[O-])c3)ccc2o1 ZINC001597691678 988887959 /nfs/dbraw/zinc/88/79/59/988887959.db2.gz XSSPYTARGQOALL-SNVBAGLBSA-N -1 0 311.341 3.657 20 0 DHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc2c(c1)CCCC2 ZINC001599846555 988942238 /nfs/dbraw/zinc/94/22/38/988942238.db2.gz DBRNJTQYGDEYPH-LLVKDONJSA-N -1 0 314.337 3.775 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC001599846662 988944022 /nfs/dbraw/zinc/94/40/22/988944022.db2.gz OQQBHOBOXVREPS-MRVPVSSYSA-N -1 0 324.254 3.720 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001599847423 988956954 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CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1F)C1=CCCCC1 ZINC001590748985 990546295 /nfs/dbraw/zinc/54/62/95/990546295.db2.gz AIBPQBVJCDXONV-UHFFFAOYSA-N -1 0 319.376 3.780 20 0 DHADRM CC(C)(CNC(=O)c1ccccc1CCC(=O)[O-])C1=CCCC1 ZINC001590757010 990554125 /nfs/dbraw/zinc/55/41/25/990554125.db2.gz IKBZGUYFSXPHBH-UHFFFAOYSA-N -1 0 315.413 3.570 20 0 DHADRM CC(C)(CNc1nccnc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001590780074 990592174 /nfs/dbraw/zinc/59/21/74/990592174.db2.gz KMAPFPVQDPZSKA-UHFFFAOYSA-N -1 0 319.792 3.509 20 0 DHADRM CC(C)(CNc1cnc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC001590780194 990593320 /nfs/dbraw/zinc/59/33/20/990593320.db2.gz SRJWMEOWYJRHFF-UHFFFAOYSA-N -1 0 321.380 3.718 20 0 DHADRM CC(C)(COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)CC(F)F ZINC001590783931 990601992 /nfs/dbraw/zinc/60/19/92/990601992.db2.gz VODKGUUHAWBHEV-UHFFFAOYSA-N -1 0 318.360 3.636 20 0 DHADRM CC(C)(CSCc1ncc(-c2cccc(F)c2)o1)C(=O)[O-] ZINC001590819958 990652269 /nfs/dbraw/zinc/65/22/69/990652269.db2.gz CEWIFEQPPOOGPA-UHFFFAOYSA-N -1 0 309.362 3.825 20 0 DHADRM CC(C)(Cc1ccccc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001590826770 990669963 /nfs/dbraw/zinc/66/99/63/990669963.db2.gz IDOWQSKVNMKJLD-UHFFFAOYSA-N -1 0 322.364 3.955 20 0 DHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC001590854578 990734154 /nfs/dbraw/zinc/73/41/54/990734154.db2.gz BDSYAMPYJYFHNR-UHFFFAOYSA-N -1 0 310.419 3.927 20 0 DHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])o1)c1ccc2ccccc2c1 ZINC001590861414 990752816 /nfs/dbraw/zinc/75/28/16/990752816.db2.gz CGEQRPSGGRBFNZ-UHFFFAOYSA-N -1 0 323.348 3.796 20 0 DHADRM CC(C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC001590871201 990775715 /nfs/dbraw/zinc/77/57/15/990775715.db2.gz HKEJPEGZCVFFFY-VURMDHGXSA-N -1 0 321.323 3.681 20 0 DHADRM CC(C)(c1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1)c1ccccc1 ZINC001590908912 990878045 /nfs/dbraw/zinc/87/80/45/990878045.db2.gz NZFWFXJQVRGJLT-JOCQHMNTSA-N -1 0 314.385 3.754 20 0 DHADRM CC(C)=C(C)CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001590913018 990893856 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3.780 20 0 DHADRM CC(C)=CCC[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001590922004 990916420 /nfs/dbraw/zinc/91/64/20/990916420.db2.gz QHVRPJBUYLJWJI-MPGHIAIKSA-N -1 0 309.450 3.909 20 0 DHADRM COc1cccc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])c1 ZINC001599683530 990949931 /nfs/dbraw/zinc/94/99/31/990949931.db2.gz PIYVAXFNWCSMBS-MRXNPFEDSA-N -1 0 302.395 3.792 20 0 DHADRM COc1cccc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001599683640 990950604 /nfs/dbraw/zinc/95/06/04/990950604.db2.gz UIDWFVJCEWBQSQ-HNNXBMFYSA-N -1 0 306.358 3.622 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001590975410 991117729 /nfs/dbraw/zinc/11/77/29/991117729.db2.gz BRSBUSBCWALIAK-HYVNUMGLSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC001590976206 991122814 /nfs/dbraw/zinc/12/28/14/991122814.db2.gz LUVIGNNRXYWHNJ-CVEARBPZSA-N -1 0 319.445 3.822 20 0 DHADRM COc1ccccc1[C@H](C)S[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001599697806 991174163 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CC(C)[C@H]1N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC12CCC2 ZINC001591100041 991718125 /nfs/dbraw/zinc/71/81/25/991718125.db2.gz UEMLDLCDVWSBFZ-CQSZACIVSA-N -1 0 320.364 3.566 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591124471 991816481 /nfs/dbraw/zinc/81/64/81/991816481.db2.gz SUBIOYFRSSHSEO-UHFFFAOYSA-N -1 0 314.385 3.944 20 0 DHADRM CC(C)C[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591131752 991829354 /nfs/dbraw/zinc/82/93/54/991829354.db2.gz YOFJFUWRLDCVJB-AWEZNQCLSA-N -1 0 305.418 3.561 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001591134548 991839983 /nfs/dbraw/zinc/83/99/83/991839983.db2.gz UWRJWVITXNNZDH-LBPRGKRZSA-N -1 0 310.415 3.841 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001591143138 991868911 /nfs/dbraw/zinc/86/89/11/991868911.db2.gz OFSJMUIRWJCTKQ-UHFFFAOYSA-N -1 0 305.418 3.709 20 0 DHADRM CN(C[C@@H]1CC=CCC1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598453679 991918727 /nfs/dbraw/zinc/91/87/27/991918727.db2.gz UTJROKLXBDTQNX-SNVBAGLBSA-N -1 0 314.307 3.591 20 0 DHADRM CC(C)CC1(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001591197744 992020808 /nfs/dbraw/zinc/02/08/08/992020808.db2.gz NGTNNGHSFOCFKL-UHFFFAOYSA-N -1 0 318.417 3.749 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591205520 992028866 /nfs/dbraw/zinc/02/88/66/992028866.db2.gz JJIJBVJQUFMEEC-KIUWMYQTSA-N -1 0 319.401 3.808 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591223132 992095498 /nfs/dbraw/zinc/09/54/98/992095498.db2.gz XMZYQSRTICCDRH-OPIZNEOISA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001591227375 992098320 /nfs/dbraw/zinc/09/83/20/992098320.db2.gz FBFUQMVGAXTWEP-KRWDZBQOSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)CCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001591228035 992101887 /nfs/dbraw/zinc/10/18/87/992101887.db2.gz NHDDACOBAHMMFC-HOTGVXAUSA-N -1 0 303.402 3.630 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001591228597 992105188 /nfs/dbraw/zinc/10/51/88/992105188.db2.gz RQLBGHKKZBQIDJ-UHFFFAOYSA-N -1 0 321.392 3.812 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591229336 992111222 /nfs/dbraw/zinc/11/12/22/992111222.db2.gz XMPXNQHDZAYBBV-OCCSQVGLSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CCCC(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001591229437 992112350 /nfs/dbraw/zinc/11/23/50/992112350.db2.gz QUNNCESYCPDJNH-UHFFFAOYSA-N -1 0 300.358 3.698 20 0 DHADRM CC(C)CCn1ncc(NCc2cc(C(=O)[O-])co2)c1C(C)C ZINC001591277562 992202848 /nfs/dbraw/zinc/20/28/48/992202848.db2.gz XNKQSEMTGLILLO-UHFFFAOYSA-N -1 0 319.405 3.956 20 0 DHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001591285456 992223290 /nfs/dbraw/zinc/22/32/90/992223290.db2.gz RMFGOEVFYBRIRB-UHFFFAOYSA-N -1 0 315.344 3.827 20 0 DHADRM CC(C)CN(C(=O)c1cccc(C2CC2)c1)C(C)(C)C(=O)[O-] ZINC001591285448 992223632 /nfs/dbraw/zinc/22/36/32/992223632.db2.gz RLCMGMSFQMZABR-UHFFFAOYSA-N -1 0 303.402 3.525 20 0 DHADRM CC(C)COC(=O)Nc1cccc(NC2CC(CC(=O)[O-])C2)c1 ZINC001591384535 992432833 /nfs/dbraw/zinc/43/28/33/992432833.db2.gz HFTAJQLIOCONGO-UHFFFAOYSA-N -1 0 320.389 3.556 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1nc2cccc(F)c2s1 ZINC001598513642 992593604 /nfs/dbraw/zinc/59/36/04/992593604.db2.gz QSYTUIBYZRUURD-UHFFFAOYSA-N -1 0 316.357 3.770 20 0 DHADRM CC(C)Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591489434 992620633 /nfs/dbraw/zinc/62/06/33/992620633.db2.gz RSIYTQATIJVLTQ-UHFFFAOYSA-N -1 0 303.383 3.897 20 0 DHADRM CN(Cc1ccc(Cl)s1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001598517697 992637654 /nfs/dbraw/zinc/63/76/54/992637654.db2.gz RZQHMKLWRQQWRG-UHFFFAOYSA-N -1 0 324.833 3.937 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598529603 992762562 /nfs/dbraw/zinc/76/25/62/992762562.db2.gz NXRPGFPASFGKCM-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM CC[C@H](C(=O)[N-]OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000759349079 1015746029 /nfs/dbraw/zinc/74/60/29/1015746029.db2.gz HIWMSQQWLJVQRV-JTQLQIEISA-N -1 0 311.250 3.512 20 0 DHADRM CN(c1ncc(C(=O)[O-])cc1C(F)(F)F)C1CCCCC1 ZINC001598546302 992948867 /nfs/dbraw/zinc/94/88/67/992948867.db2.gz AHFPAGZDWNJTOI-UHFFFAOYSA-N -1 0 302.296 3.568 20 0 DHADRM CN(c1ncc(C(=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC001598546835 992956024 /nfs/dbraw/zinc/95/60/24/992956024.db2.gz KMIMUHHEPCNAIG-AWEZNQCLSA-N -1 0 302.761 3.557 20 0 DHADRM COc1ccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC001599593480 993718615 /nfs/dbraw/zinc/71/86/15/993718615.db2.gz WBNYLVGPJLLRFR-LLVKDONJSA-N -1 0 314.341 3.527 20 0 DHADRM COc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c2cccnc12 ZINC001599597176 993763393 /nfs/dbraw/zinc/76/33/93/993763393.db2.gz IZNXFZCUDKFGJU-OUCADQQQSA-N -1 0 314.385 3.545 20 0 DHADRM COc1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)cc1OC ZINC001599599274 993791662 /nfs/dbraw/zinc/79/16/62/993791662.db2.gz OHQCEYBTFURBTJ-VIFPVBQESA-N -1 0 307.371 3.637 20 0 DHADRM CN1CCN(Cc2csc(C(=O)[O-])c2)c2cc(Cl)ccc21 ZINC001598621869 994018614 /nfs/dbraw/zinc/01/86/14/994018614.db2.gz VCPLLJRSAURCSQ-UHFFFAOYSA-N -1 0 322.817 3.556 20 0 DHADRM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593178542 994057284 /nfs/dbraw/zinc/05/72/84/994057284.db2.gz AYMOIHHFCXFDBI-VIFPVBQESA-N -1 0 321.735 3.668 20 0 DHADRM COc1ccc([C@H]2C[C@@H]2[C@H](C)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599621226 994085808 /nfs/dbraw/zinc/08/58/08/994085808.db2.gz CZUYZMSVXASNPG-JBBXEZCESA-N -1 0 311.381 3.998 20 0 DHADRM C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC001593221330 994324235 /nfs/dbraw/zinc/32/42/35/994324235.db2.gz YQDGVVAYFSMFHU-ZANVPECISA-N -1 0 320.389 3.709 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cccc(Cl)c1C ZINC001599643324 994388808 /nfs/dbraw/zinc/38/88/08/994388808.db2.gz CDADLVGBSIZBOO-UHFFFAOYSA-N -1 0 320.728 3.574 20 0 DHADRM COc1cccc(C(=O)[O-])c1CSCC(=O)c1ccccc1 ZINC001599645180 994415800 /nfs/dbraw/zinc/41/58/00/994415800.db2.gz POJAROFNUAFGCF-UHFFFAOYSA-N -1 0 316.378 3.510 20 0 DHADRM C[C@H](NCC(F)(F)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593249934 994481769 /nfs/dbraw/zinc/48/17/69/994481769.db2.gz ZDJVLDRLKSDBFX-JTQLQIEISA-N -1 0 311.353 3.889 20 0 DHADRM COc1cccc([C@@H](SCc2ccccc2OC)C(=O)[O-])c1 ZINC001599659997 994641090 /nfs/dbraw/zinc/64/10/90/994641090.db2.gz AGTVLKBZRZPLLY-MRXNPFEDSA-N -1 0 318.394 3.763 20 0 DHADRM COc1cccc([C@@H](Sc2ncc(C(C)(C)C)o2)C(=O)[O-])c1 ZINC001599662127 994672389 /nfs/dbraw/zinc/67/23/89/994672389.db2.gz VMXIHMOKHSIVFG-CYBMUJFWSA-N -1 0 321.398 3.899 20 0 DHADRM COc1cccc([C@@H](Sc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001599662383 994676333 /nfs/dbraw/zinc/67/63/33/994676333.db2.gz ZATIXJUGOIUKRU-CYBMUJFWSA-N -1 0 309.774 3.662 20 0 DHADRM C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1nc(C(=O)[O-])co1 ZINC001593353323 994976623 /nfs/dbraw/zinc/97/66/23/994976623.db2.gz TWWCSQMESSUKOJ-VHSXEESVSA-N -1 0 300.314 3.531 20 0 DHADRM C[C@H](Nc1cc(C(=O)[O-])ccn1)c1cccc(C(F)(F)F)c1 ZINC001593359339 995015343 /nfs/dbraw/zinc/01/53/43/995015343.db2.gz BTYFJWVNGOJNGD-VIFPVBQESA-N -1 0 310.275 3.972 20 0 DHADRM C[C@H](Nc1cccc2cc(C(=O)[O-])sc21)[C@@H]1CCCCO1 ZINC001593367926 995060605 /nfs/dbraw/zinc/06/06/05/995060605.db2.gz SHMHUDNPPYROJM-GWCFXTLKSA-N -1 0 305.399 3.969 20 0 DHADRM C[C@](O)(C(=O)[O-])c1cccc(-c2ccccc2CC(F)(F)F)c1 ZINC001593375603 995080935 /nfs/dbraw/zinc/08/09/35/995080935.db2.gz GZRPPXQSCREJMB-MRXNPFEDSA-N -1 0 324.298 3.751 20 0 DHADRM C[C@@H](OC(=O)C/C=C\c1cccc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593516641 995549020 /nfs/dbraw/zinc/54/90/20/995549020.db2.gz UAOKEISWSHZAQC-USEMIUTHSA-N -1 0 318.300 3.825 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC001593578865 995690146 /nfs/dbraw/zinc/69/01/46/995690146.db2.gz MGQUYYVNTHJKQT-ZETCQYMHSA-N -1 0 312.293 3.643 20 0 DHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001593586119 995706125 /nfs/dbraw/zinc/70/61/25/995706125.db2.gz OYVSCRGRJDJYKH-SNVBAGLBSA-N -1 0 304.729 3.956 20 0 DHADRM C[C@@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593597094 995736677 /nfs/dbraw/zinc/73/66/77/995736677.db2.gz GZZNXXSYELHAME-GFCCVEGCSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@@H](OC(=O)c1cnc(C(C)(C)C)s1)c1cc(C(=O)[O-])co1 ZINC001593597085 995736867 /nfs/dbraw/zinc/73/68/67/995736867.db2.gz SEBSKOUINKCQLB-MRVPVSSYSA-N -1 0 323.370 3.650 20 0 DHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001593666884 996053761 /nfs/dbraw/zinc/05/37/61/996053761.db2.gz CSHVOLYTVIHULD-SNVBAGLBSA-N -1 0 320.341 3.610 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N(C)c1ccsc1)C(=O)[O-] ZINC001593667142 996056305 /nfs/dbraw/zinc/05/63/05/996056305.db2.gz BFEMELMFECTYBN-SNVBAGLBSA-N -1 0 321.423 3.590 20 0 DHADRM C[C@H](Sc1ccc2c(c1)CCCC2)C(=O)C(C)(C)C(=O)[O-] ZINC001593667532 996058524 /nfs/dbraw/zinc/05/85/24/996058524.db2.gz PPDVGTQZXOHXIK-NSHDSACASA-N -1 0 306.427 3.726 20 0 DHADRM C[C@H](Sc1nc(C(=O)[O-])cs1)c1cc(F)ccc1F ZINC001593679954 996105116 /nfs/dbraw/zinc/10/51/16/996105116.db2.gz RDOGQTHVJRAXGT-LURJTMIESA-N -1 0 301.339 3.973 20 0 DHADRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)C(C)(C)C ZINC001593680042 996105614 /nfs/dbraw/zinc/10/56/14/996105614.db2.gz UWXRYYIQIPHQDF-MRVPVSSYSA-N -1 0 307.371 3.622 20 0 DHADRM C[C@@H](c1cc(F)ccc1F)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593686283 996121503 /nfs/dbraw/zinc/12/15/03/996121503.db2.gz IVCKOKKKPFERLW-NSHDSACASA-N -1 0 317.335 3.782 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CC(C)(C)[C@H]1c1cccnc1 ZINC001593686679 996124119 /nfs/dbraw/zinc/12/41/19/996124119.db2.gz QFNJHZITYGMQGX-IAQYHMDHSA-N -1 0 300.358 3.517 20 0 DHADRM CC(C)(O)C1CCC(c2nc(-c3ccc(O)c(F)c3)no2)CC1 ZINC000650591091 1016013839 /nfs/dbraw/zinc/01/38/39/1016013839.db2.gz ZWZGRVHUHKTJJV-UHFFFAOYSA-N -1 0 320.364 3.626 20 0 DHADRM CCOc1ccc(-c2cncc(C(=O)[O-])c2C)cc1OCC ZINC000657203901 1016029618 /nfs/dbraw/zinc/02/96/18/1016029618.db2.gz GDBKRUCYRLXLEP-UHFFFAOYSA-N -1 0 301.342 3.553 20 0 DHADRM C[C@@H](CC(=O)[O-])n1cc(-c2ccc(OC3CCCC3)cc2)cn1 ZINC000657204226 1016030518 /nfs/dbraw/zinc/03/05/18/1016030518.db2.gz DZCIGXMGTRPGTN-ZDUSSCGKSA-N -1 0 314.385 3.907 20 0 DHADRM CSc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1 ZINC000657204973 1016031109 /nfs/dbraw/zinc/03/11/09/1016031109.db2.gz MJNSKUGFLPEJEZ-CVEARBPZSA-N -1 0 315.394 3.633 20 0 DHADRM C[C@]1(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC=CCC1 ZINC001593758029 996411224 /nfs/dbraw/zinc/41/12/24/996411224.db2.gz HIEPHYPOIVIQBJ-HNNXBMFYSA-N -1 0 311.740 3.862 20 0 DHADRM C[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)C=CCC1 ZINC001593759892 996417602 /nfs/dbraw/zinc/41/76/02/996417602.db2.gz NGMHNQCCLZPKDA-CQSZACIVSA-N -1 0 314.168 3.986 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001593776415 996477554 /nfs/dbraw/zinc/47/75/54/996477554.db2.gz NHHVZPYTGDLFIU-AWEZNQCLSA-N -1 0 320.191 3.819 20 0 DHADRM O=C([O-])[C@H]1CCc2cc(-c3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000657204460 1016037024 /nfs/dbraw/zinc/03/70/24/1016037024.db2.gz QZNXELDFYXASFV-HKUYNNGSSA-N -1 0 324.376 3.636 20 0 DHADRM CCCOc1cncc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])c1 ZINC000657206300 1016044463 /nfs/dbraw/zinc/04/44/63/1016044463.db2.gz CARCYPUEXUOMRM-ZDUSSCGKSA-N -1 0 315.369 3.698 20 0 DHADRM O=C([O-])[C@@H]1CCc2cc(-c3cccc4c3OCCCO4)ccc21 ZINC000657207708 1016044542 /nfs/dbraw/zinc/04/45/42/1016044542.db2.gz QCUYHSZHWUTVOA-MRXNPFEDSA-N -1 0 310.349 3.629 20 0 DHADRM CC1(C)C(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001593826286 996571202 /nfs/dbraw/zinc/57/12/02/996571202.db2.gz VYHXANMEXQDBNY-UHFFFAOYSA-N -1 0 312.369 3.554 20 0 DHADRM COCCCOc1ccc(-c2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000657207223 1016044985 /nfs/dbraw/zinc/04/49/85/1016044985.db2.gz KENYPVWHZQYHIQ-CQSZACIVSA-N -1 0 314.381 3.957 20 0 DHADRM CC[C@@H](Cc1ccccc1-c1cc(OC)ccc1CO)C(=O)[O-] ZINC000657207589 1016044995 /nfs/dbraw/zinc/04/49/95/1016044995.db2.gz AAJQGZXYZBOLSR-ZDUSSCGKSA-N -1 0 314.381 3.508 20 0 DHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001593863766 996664435 /nfs/dbraw/zinc/66/44/35/996664435.db2.gz MNAWSVWJHICXJD-KRWDZBQOSA-N -1 0 323.392 3.998 20 0 DHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)o1 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3.829 20 0 DHADRM Cc1cccc(C)c1NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634816146 1016062744 /nfs/dbraw/zinc/06/27/44/1016062744.db2.gz CDCCJFRQINHJHV-KRWDZBQOSA-N -1 0 317.410 3.736 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001593905066 996785490 /nfs/dbraw/zinc/78/54/90/996785490.db2.gz NSIVFCFJKKEPSG-SPYBWZPUSA-N -1 0 321.461 3.696 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001593905710 996788330 /nfs/dbraw/zinc/78/83/30/996788330.db2.gz XPJNKXDTKQCQAB-LLVKDONJSA-N -1 0 305.374 3.635 20 0 DHADRM CC1(C)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC(C)(C)C1 ZINC001593911095 996800207 /nfs/dbraw/zinc/80/02/07/996800207.db2.gz VQKMKODTYVJIIJ-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CC1(C)CCc2ccccc2[C@@H](Nc2cnc(C(=O)[O-])cn2)C1 ZINC001593916403 996819041 /nfs/dbraw/zinc/81/90/41/996819041.db2.gz PYASNCAOTDHDLV-AWEZNQCLSA-N -1 0 311.385 3.691 20 0 DHADRM CC1(C)CCN(Cc2ncc(C(=O)[O-])s2)c2ccccc21 ZINC001593922957 996835414 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3.590 20 0 DHADRM CN(C(=O)CCCc1ccc(C(C)(C)C)cc1)C(C)(C)C(=O)[O-] ZINC000362329074 1020489863 /nfs/dbraw/zinc/48/98/63/1020489863.db2.gz CBWXVZICQLXVGD-UHFFFAOYSA-N -1 0 319.445 3.628 20 0 DHADRM CC(C)(NC(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC000780402345 1020501803 /nfs/dbraw/zinc/50/18/03/1020501803.db2.gz KKHUVLOHXQPQTP-UHFFFAOYSA-N -1 0 312.325 3.571 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)CCC2CCCCC2)c2ccccc21 ZINC000391443576 1020559351 /nfs/dbraw/zinc/55/93/51/1020559351.db2.gz YDNCACVZRRBINJ-INIZCTEOSA-N -1 0 315.413 3.952 20 0 DHADRM O=C([O-])c1ccc(Nc2cccnc2C(F)(F)F)c(F)c1F ZINC001212511952 1020568897 /nfs/dbraw/zinc/56/88/97/1020568897.db2.gz NOWWLSLOZFCIQO-UHFFFAOYSA-N -1 0 318.201 3.820 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(F)c(F)c2F)c(F)c1F ZINC001212513265 1020586280 /nfs/dbraw/zinc/58/62/80/1020586280.db2.gz IMFCAMAEGIGARG-UHFFFAOYSA-N -1 0 303.186 3.824 20 0 DHADRM Nc1cc(Cl)cc2ccn(-c3ccc(C(=O)[O-])c(F)c3F)c21 ZINC001212515801 1020591526 /nfs/dbraw/zinc/59/15/26/1020591526.db2.gz PBUOLTOYOGCTEZ-UHFFFAOYSA-N -1 0 322.698 3.843 20 0 DHADRM Cc1c(C)n(-c2ccc(C(=O)[O-])c(F)c2F)c2c1cccc2N ZINC001212515742 1020591940 /nfs/dbraw/zinc/59/19/40/1020591940.db2.gz LQAHGZCKBKDIDH-UHFFFAOYSA-N -1 0 316.307 3.806 20 0 DHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404867054 1020603557 /nfs/dbraw/zinc/60/35/57/1020603557.db2.gz CNDZGURAYBTIOA-UHFFFAOYSA-N -1 0 307.390 3.887 20 0 DHADRM CCC(CC)(CC(=O)N1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000390675455 1020641895 /nfs/dbraw/zinc/64/18/95/1020641895.db2.gz RPKPDWUGXIDGJB-UHFFFAOYSA-N -1 0 317.429 3.674 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281301022 1020781196 /nfs/dbraw/zinc/78/11/96/1020781196.db2.gz HMRGNYVEUKCYQF-ZETCQYMHSA-N -1 0 300.692 3.998 20 0 DHADRM CO[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C1CCCC1 ZINC000613160526 1020837096 /nfs/dbraw/zinc/83/70/96/1020837096.db2.gz RQZFMRDASLBTTN-CYBMUJFWSA-N -1 0 318.200 3.843 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000177941112 1020863418 /nfs/dbraw/zinc/86/34/18/1020863418.db2.gz ZOHKJJZCIYMSDT-UHFFFAOYSA-N -1 0 321.380 3.607 20 0 DHADRM CCC(CC)(CC(=O)N[C@H]1CCCc2c(F)cccc21)C(=O)[O-] ZINC000414084193 1020864330 /nfs/dbraw/zinc/86/43/30/1020864330.db2.gz FEOAICLLJGZCBV-HNNXBMFYSA-N -1 0 321.392 3.600 20 0 DHADRM CCC1(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])CCCC1 ZINC000319083774 1020896558 /nfs/dbraw/zinc/89/65/58/1020896558.db2.gz HPYCXKQTSGZYCR-UHFFFAOYSA-N -1 0 303.402 3.702 20 0 DHADRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc2ccccc2o1 ZINC000066516782 1020903862 /nfs/dbraw/zinc/90/38/62/1020903862.db2.gz PTPYAGLQPPQGIJ-CKXPSTMWSA-N -1 0 306.296 3.857 20 0 DHADRM CCC[C@H](C)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000173345545 1020911710 /nfs/dbraw/zinc/91/17/10/1020911710.db2.gz FLJVICWIKWTDDR-VIFPVBQESA-N -1 0 307.781 3.925 20 0 DHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000178064858 1020914569 /nfs/dbraw/zinc/91/45/69/1020914569.db2.gz BGHIAYIAHRFIRO-WCQYABFASA-N -1 0 322.455 3.521 20 0 DHADRM CCc1ccccc1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170212949 1020966502 /nfs/dbraw/zinc/96/65/02/1020966502.db2.gz RAHOKAOADICYSY-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CCSCc1cccc(NC(=O)NO[C@H]2CCCCO2)c1 ZINC000160985037 1021055594 /nfs/dbraw/zinc/05/55/94/1021055594.db2.gz OILGWRCMJYIYOP-AWEZNQCLSA-N -1 0 310.419 3.519 20 0 DHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]OCc1ccccc1 ZINC000742489800 1021127837 /nfs/dbraw/zinc/12/78/37/1021127837.db2.gz OTCFXULXKSIOJF-UAGQMJEPSA-N -1 0 305.418 3.608 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000653283684 1021170207 /nfs/dbraw/zinc/17/02/07/1021170207.db2.gz LXKYSHBOLYTMPL-UHFFFAOYSA-N -1 0 307.390 3.519 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000659120833 1021180914 /nfs/dbraw/zinc/18/09/14/1021180914.db2.gz SGHGOFJUFJYLNM-IUODEOHRSA-N -1 0 309.312 3.539 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000659118538 1021183144 /nfs/dbraw/zinc/18/31/44/1021183144.db2.gz INEWSFWYVSKDQB-OAHLLOKOSA-N -1 0 313.353 3.572 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CC2(C1)CCCCC2 ZINC000659118118 1021183512 /nfs/dbraw/zinc/18/35/12/1021183512.db2.gz UUQIPCLKGOSUJJ-BMFZPTHFSA-N -1 0 319.445 3.591 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000659122285 1021184635 /nfs/dbraw/zinc/18/46/35/1021184635.db2.gz QVPUFUOUUFJVSB-AWEZNQCLSA-N -1 0 315.413 3.516 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000659122103 1021185320 /nfs/dbraw/zinc/18/53/20/1021185320.db2.gz YTRHXXQQYMSVQD-AWEZNQCLSA-N -1 0 317.410 3.817 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(CC1CCC1)c1ccccc1 ZINC000659123630 1021185497 /nfs/dbraw/zinc/18/54/97/1021185497.db2.gz VEBBJWXCFLRFPG-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000659129330 1021192203 /nfs/dbraw/zinc/19/22/03/1021192203.db2.gz MTTWQMBNHQZQHF-IMJJTQAJSA-N -1 0 315.413 3.535 20 0 DHADRM Cc1oc(CN(C)C(=O)c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000659130524 1021194858 /nfs/dbraw/zinc/19/48/58/1021194858.db2.gz OJNJUCRDRGYEHP-UHFFFAOYSA-N -1 0 315.369 3.682 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000659141357 1021202866 /nfs/dbraw/zinc/20/28/66/1021202866.db2.gz GBGOPLCKRFTEEL-CQSZACIVSA-N -1 0 317.429 3.646 20 0 DHADRM COCc1cc(NC(=O)[C@]2(C)CC=C(C)CC2)cc(C(=O)[O-])c1 ZINC000659150164 1021206767 /nfs/dbraw/zinc/20/67/67/1021206767.db2.gz VXIPAKFCFUPMKU-GOSISDBHSA-N -1 0 317.385 3.606 20 0 DHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1F ZINC000177135122 1021213383 /nfs/dbraw/zinc/21/33/83/1021213383.db2.gz UKESYVRKGANHSE-UHFFFAOYSA-N -1 0 323.314 3.517 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000659163755 1021215231 /nfs/dbraw/zinc/21/52/31/1021215231.db2.gz KSAORBFUVXDXDE-TZMCWYRMSA-N -1 0 319.401 3.575 20 0 DHADRM CCOc1cccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177124257 1021215820 /nfs/dbraw/zinc/21/58/20/1021215820.db2.gz QFRUARMNXFHZDB-SNVBAGLBSA-N -1 0 321.323 3.560 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCC12CCCCC2 ZINC000659168356 1021220337 /nfs/dbraw/zinc/22/03/37/1021220337.db2.gz WEOGAZMOBLGPDB-AWEZNQCLSA-N -1 0 305.374 3.519 20 0 DHADRM C[C@@H]1N(C(=O)c2cccc(CC(=O)[O-])c2)c2ccccc2C1(C)C ZINC000659207428 1021252399 /nfs/dbraw/zinc/25/23/99/1021252399.db2.gz CSWVRDIXMBTDMC-ZDUSSCGKSA-N -1 0 323.392 3.640 20 0 DHADRM C[C@@H]1N(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc2C1(C)C ZINC000659211663 1021252575 /nfs/dbraw/zinc/25/25/75/1021252575.db2.gz XZGWARZHRLTQMB-HSBZDZAISA-N -1 0 315.413 3.590 20 0 DHADRM O=C([O-])C[C@H](CNC(=O)c1cccc(C2CCCC2)c1)C1CC1 ZINC000659211451 1021252776 /nfs/dbraw/zinc/25/27/76/1021252776.db2.gz XGACFFNXPWETJG-QGZVFWFLSA-N -1 0 315.413 3.575 20 0 DHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)CCCc1csc2ccccc12 ZINC000659218319 1021258301 /nfs/dbraw/zinc/25/83/01/1021258301.db2.gz FQCWUWLXVNYAMC-LBPRGKRZSA-N -1 0 319.426 3.546 20 0 DHADRM O=C([O-])c1ccc(-c2cncc(OC(F)(F)F)c2)cc1Cl ZINC001241349575 1021279566 /nfs/dbraw/zinc/27/95/66/1021279566.db2.gz PVSWVLVWZUQZDR-UHFFFAOYSA-N -1 0 317.650 3.999 20 0 DHADRM CCC(CC)(C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000659239846 1021281477 /nfs/dbraw/zinc/28/14/77/1021281477.db2.gz WMAGMDOGGNBHCU-YJBOKZPZSA-N -1 0 317.429 3.504 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccn1 ZINC000743475729 1021306056 /nfs/dbraw/zinc/30/60/56/1021306056.db2.gz VHLJIRUSKAPKGR-HNNXBMFYSA-N -1 0 304.777 3.568 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)sc1C ZINC000538010267 1032969805 /nfs/dbraw/zinc/96/98/05/1032969805.db2.gz YXTPZVCJDZXWOX-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538011476 1032970587 /nfs/dbraw/zinc/97/05/87/1032970587.db2.gz QPCRNCKSDNRPFE-UHFFFAOYSA-N -1 0 309.387 3.568 20 0 DHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1 ZINC000538011628 1032972113 /nfs/dbraw/zinc/97/21/13/1032972113.db2.gz YCCOZEYGQBRLOP-LLVKDONJSA-N -1 0 309.387 3.566 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000918154548 1021472196 /nfs/dbraw/zinc/47/21/96/1021472196.db2.gz BELPYTWOBDSWNS-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM Cc1cc(Nc2ccc(Br)cn2)ccc1C(=O)[O-] ZINC001211647733 1021510155 /nfs/dbraw/zinc/51/01/55/1021510155.db2.gz FXHITVZJAMMJCA-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CC(=O)c1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1O ZINC000667048528 1032984632 /nfs/dbraw/zinc/98/46/32/1032984632.db2.gz CAMJDXIVGJOJSW-NSHDSACASA-N -1 0 313.353 3.554 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)C2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000659755647 1021518313 /nfs/dbraw/zinc/51/83/13/1021518313.db2.gz ZVHVSHVONHHLLI-FHERZECASA-N -1 0 317.429 3.714 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000659774732 1021523268 /nfs/dbraw/zinc/52/32/68/1021523268.db2.gz NKEFWPFLSCKGGG-YESZJQIVSA-N -1 0 321.461 3.696 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc[nH]c1=S ZINC000154735585 1021529069 /nfs/dbraw/zinc/52/90/69/1021529069.db2.gz VZYOKXNWIARERZ-UHFFFAOYSA-N -1 0 315.181 3.635 20 0 DHADRM Cc1nc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cs1 ZINC000154735130 1021529496 /nfs/dbraw/zinc/52/94/96/1021529496.db2.gz CWSOVZSMYLZEJJ-UHFFFAOYSA-N -1 0 317.197 3.645 20 0 DHADRM CC(C)CC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCCC1 ZINC000262755620 1021562241 /nfs/dbraw/zinc/56/22/41/1021562241.db2.gz YWXDSUMFKKKVDA-SHTZXODSSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)CSCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000152618224 1021573944 /nfs/dbraw/zinc/57/39/44/1021573944.db2.gz FJHRRGDGMCFEGU-UHFFFAOYSA-N -1 0 301.839 3.555 20 0 DHADRM O=c1c2c([n-]n1-c1ccc(Cl)cc1Br)CCC2 ZINC000634614317 1021582738 /nfs/dbraw/zinc/58/27/38/1021582738.db2.gz ZLBUYLOKEDHAQD-MRVPVSSYSA-N -1 0 313.582 3.605 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1 ZINC000162282914 1021665289 /nfs/dbraw/zinc/66/52/89/1021665289.db2.gz YGVXIMQDYLELBY-LLVKDONJSA-N -1 0 308.378 3.535 20 0 DHADRM O=C([O-])c1c(Cl)ccc(-c2ncc3sccc3n2)c1F ZINC001236142306 1021674400 /nfs/dbraw/zinc/67/44/00/1021674400.db2.gz GZMJITNXMDNHNW-UHFFFAOYSA-N -1 0 308.721 3.849 20 0 DHADRM Cc1ccc(C)c(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1C(=O)[O-] ZINC000320104569 1021692529 /nfs/dbraw/zinc/69/25/29/1021692529.db2.gz PMDJDZOJKBMXPE-QWRGUYRKSA-N -1 0 303.402 3.556 20 0 DHADRM Cc1cc(Br)nc(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211649924 1021719556 /nfs/dbraw/zinc/71/95/56/1021719556.db2.gz GOKJDKRWXNKQDQ-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000154914594 1021729069 /nfs/dbraw/zinc/72/90/69/1021729069.db2.gz GDTCYNGSYLUNKA-NSHDSACASA-N -1 0 319.323 3.578 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619362511 1021730271 /nfs/dbraw/zinc/73/02/71/1021730271.db2.gz YUVVWBPVUUNCRQ-QWRGUYRKSA-N -1 0 301.773 3.681 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C(C)(C)C ZINC000236656314 1021762740 /nfs/dbraw/zinc/76/27/40/1021762740.db2.gz HUXIUQBIEIJENP-WVUXNXBLSA-N -1 0 303.402 3.619 20 0 DHADRM Cc1ccc(C)c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1C(=O)[O-] ZINC000393533607 1021813925 /nfs/dbraw/zinc/81/39/25/1021813925.db2.gz ZAMPJLOYRWBECF-KGLIPLIRSA-N -1 0 315.413 3.652 20 0 DHADRM Cc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000745977592 1021817870 /nfs/dbraw/zinc/81/78/70/1021817870.db2.gz XTWLFPNFEBVWPO-CYBMUJFWSA-N -1 0 317.772 3.845 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)Cc2ccccc21 ZINC000746100851 1021851601 /nfs/dbraw/zinc/85/16/01/1021851601.db2.gz WRJSSRATCZAQOH-NSHDSACASA-N -1 0 324.405 3.876 20 0 DHADRM CCC1(C)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000746195447 1021887479 /nfs/dbraw/zinc/88/74/79/1021887479.db2.gz FEXCORZVWPFZCW-UHFFFAOYSA-N -1 0 304.415 3.769 20 0 DHADRM CCSc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC000653300462 1021947671 /nfs/dbraw/zinc/94/76/71/1021947671.db2.gz VVPOIZNWQIYDHF-MRXNPFEDSA-N -1 0 305.399 3.548 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851605300 1021951373 /nfs/dbraw/zinc/95/13/73/1021951373.db2.gz IWUZYAIFUVTFRG-CLFYSBASSA-N -1 0 319.401 3.810 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(C2CC2)cc1 ZINC000851600276 1021952697 /nfs/dbraw/zinc/95/26/97/1021952697.db2.gz GBHPHJSAZBRHRO-UHFFFAOYSA-N -1 0 303.402 3.719 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000851597889 1021952732 /nfs/dbraw/zinc/95/27/32/1021952732.db2.gz DALBLOVTNJGKBP-YVMONPNESA-N -1 0 315.291 3.702 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)/C(F)=C\C2CCCCC2)CC1 ZINC000851698853 1021965875 /nfs/dbraw/zinc/96/58/75/1021965875.db2.gz NXNSXAASAKXXQF-NTCAYCPXSA-N -1 0 311.397 3.524 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000659140213 1021966181 /nfs/dbraw/zinc/96/61/81/1021966181.db2.gz KMUXUYKLOLLFJF-INIZCTEOSA-N -1 0 313.353 3.557 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000190664014 1021991600 /nfs/dbraw/zinc/99/16/00/1021991600.db2.gz KDCKUCHSLBNCJE-OCCSQVGLSA-N -1 0 321.417 3.779 20 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Cc1cc(C)c(NCc2cc(=O)[n-]o2)c(C)c1Br ZINC001169485643 1022417972 /nfs/dbraw/zinc/41/79/72/1022417972.db2.gz SSXZWWMLIAIBKS-UHFFFAOYSA-N -1 0 311.179 3.680 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)CCC2CCCCC2)sc1C(=O)[O-] ZINC000237543666 1022428839 /nfs/dbraw/zinc/42/88/39/1022428839.db2.gz VVWXVYUUKBPHDK-LLVKDONJSA-N -1 0 324.446 3.687 20 0 DHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1C[C@@H]1C1CCCC1 ZINC000615281533 1022442032 /nfs/dbraw/zinc/44/20/32/1022442032.db2.gz QXHRBVYQNZOZAI-KGLIPLIRSA-N -1 0 311.385 3.547 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282286 1022442877 /nfs/dbraw/zinc/44/28/77/1022442877.db2.gz IUZXOERNHVAHLH-LLVKDONJSA-N -1 0 301.390 3.793 20 0 DHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)C1CCC2(CC2)CC1 ZINC000615281943 1022443123 /nfs/dbraw/zinc/44/31/23/1022443123.db2.gz XUFUPQWOFIVSIB-UHFFFAOYSA-N -1 0 311.385 3.691 20 0 DHADRM CC[C@H](N=c1[n-]nc(C(F)(F)F)s1)c1ccccc1F ZINC000651405435 1022454428 /nfs/dbraw/zinc/45/44/28/1022454428.db2.gz 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ZINC000766839423 1022552318 /nfs/dbraw/zinc/55/23/18/1022552318.db2.gz ADAYZEXKWZCDCJ-QGZVFWFLSA-N -1 0 323.392 3.858 20 0 DHADRM [O-]c1c(Cl)cccc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000180024813 1022609884 /nfs/dbraw/zinc/60/98/84/1022609884.db2.gz FILNETQWYLFGBD-INIZCTEOSA-N -1 0 321.779 3.758 20 0 DHADRM CN(C(=O)Nc1ccc(Cl)cc1)C1(C(=O)[O-])CCCCC1 ZINC000315097833 1022624356 /nfs/dbraw/zinc/62/43/56/1022624356.db2.gz GORMFCQWIPSVJB-UHFFFAOYSA-N -1 0 310.781 3.591 20 0 DHADRM CC12CC(C1)CN2C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000621215433 1022634504 /nfs/dbraw/zinc/63/45/04/1022634504.db2.gz DSGVHFRAVFHOPD-UHFFFAOYSA-N -1 0 301.773 3.823 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)CC2)c1 ZINC000767090575 1022643081 /nfs/dbraw/zinc/64/30/81/1022643081.db2.gz GRTZDQLRUXPIQQ-JXMROGBWSA-N -1 0 321.376 3.763 20 0 DHADRM CC1(C)CC=C(c2cc(C(F)(F)F)c(C(=O)[O-])nn2)CC1 ZINC001242327717 1022647089 /nfs/dbraw/zinc/64/70/89/1022647089.db2.gz ADIKPASRUREYKQ-UHFFFAOYSA-N -1 0 300.280 3.787 20 0 DHADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1-c1cccs1 ZINC000315959855 1022670817 /nfs/dbraw/zinc/67/08/17/1022670817.db2.gz VWUAKLIEUUAWDC-KGLIPLIRSA-N -1 0 315.394 3.710 20 0 DHADRM CCCOc1c(F)cc(F)c([N-]c2nonc2C2CC2)c1F ZINC001212648153 1033071387 /nfs/dbraw/zinc/07/13/87/1033071387.db2.gz NQSBEPHNFTUHOA-UHFFFAOYSA-N -1 0 313.279 3.897 20 0 DHADRM S=c1nc2[n-]cnc(NC/C=C/c3ccccc3)c-2s1 ZINC001156468498 1022697533 /nfs/dbraw/zinc/69/75/33/1022697533.db2.gz XGBNEDUJLNYUOQ-QPJJXVBHSA-N -1 0 300.412 3.500 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000238149082 1022713789 /nfs/dbraw/zinc/71/37/89/1022713789.db2.gz UEXWTVMSAPUFTJ-RMKNXTFCSA-N -1 0 315.756 3.619 20 0 DHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000767461133 1022723786 /nfs/dbraw/zinc/72/37/86/1022723786.db2.gz GCKVJQKWKBAKRA-OAHLLOKOSA-N -1 0 321.376 3.855 20 0 DHADRM CCOC(=O)c1c(C)cc(-c2cccc(Cl)c2[O-])nc1C ZINC001242363716 1022736226 /nfs/dbraw/zinc/73/62/26/1022736226.db2.gz 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/nfs/dbraw/zinc/84/37/30/1022843730.db2.gz HXBWITZKRDWFHP-UHFFFAOYSA-N -1 0 322.434 3.799 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000011248679 1022875104 /nfs/dbraw/zinc/87/51/04/1022875104.db2.gz DVWSEHXPPMMPLY-UHFFFAOYSA-N -1 0 301.745 3.699 20 0 DHADRM Cc1cc(Nc2ccc(-c3ccccn3)nc2)ccc1C(=O)[O-] ZINC001211654917 1022938297 /nfs/dbraw/zinc/93/82/97/1022938297.db2.gz DOUMNEDOPYOOES-UHFFFAOYSA-N -1 0 305.337 3.894 20 0 DHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000768283848 1022938613 /nfs/dbraw/zinc/93/86/13/1022938613.db2.gz VUGYMCGOENCTCZ-KTKRTIGZSA-N -1 0 321.373 3.555 20 0 DHADRM COc1cccc(-c2nc([C@H]3CCCc4ccccc43)no2)c1O ZINC000324798129 1022965819 /nfs/dbraw/zinc/96/58/19/1022965819.db2.gz MDRUMTYDIJVKPM-AWEZNQCLSA-N -1 0 322.364 3.919 20 0 DHADRM Cc1ccc(NCc2ncccc2C(F)(F)F)cc1C(=O)[O-] ZINC000671162803 1022988478 /nfs/dbraw/zinc/98/84/78/1022988478.db2.gz OREHUOVTKXFPCM-UHFFFAOYSA-N -1 0 310.275 3.719 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCC2(CCCC2)CC1 ZINC000617564100 1022990834 /nfs/dbraw/zinc/99/08/34/1022990834.db2.gz DNRKCAWEARSSNV-UHFFFAOYSA-N -1 0 309.356 3.857 20 0 DHADRM Cc1ccc(O)cc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001214341046 1022991211 /nfs/dbraw/zinc/99/12/11/1022991211.db2.gz LUTDHINYNIWZPO-UHFFFAOYSA-N -1 0 303.120 3.991 20 0 DHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OC1CCCC1 ZINC000857480605 1023018533 /nfs/dbraw/zinc/01/85/33/1023018533.db2.gz MXZLZCXFUGDFHJ-ZDUSSCGKSA-N -1 0 305.418 3.742 20 0 DHADRM Cc1cc(OCC(=O)[N-]OC2CCCCC2)cc(C)c1Cl ZINC000857493017 1023021385 /nfs/dbraw/zinc/02/13/85/1023021385.db2.gz QYEMHDGASKAMAX-UHFFFAOYSA-N -1 0 311.809 3.716 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000319387920 1023050917 /nfs/dbraw/zinc/05/09/17/1023050917.db2.gz JZOWAOIXJHZFAN-BAQGIRSFSA-N -1 0 319.719 3.829 20 0 DHADRM Cc1ccc(C2CC2)c(C(=O)N=c2nc(CC(C)C)[n-]s2)c1 ZINC000622163172 1023054759 /nfs/dbraw/zinc/05/47/59/1023054759.db2.gz LADTZNDSCVGVFA-UHFFFAOYSA-N -1 0 315.442 3.597 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc2cnccc21 ZINC000769245325 1023107047 /nfs/dbraw/zinc/10/70/47/1023107047.db2.gz YFGVMGHAOPNATD-UHFFFAOYSA-N -1 0 321.361 3.917 20 0 DHADRM Cc1cc(C)c2c(c1)N(C(=O)c1s[n-]c(=O)c1Cl)CCC2 ZINC000622348979 1023122423 /nfs/dbraw/zinc/12/24/23/1023122423.db2.gz HDSLGTFPXYYGCC-UHFFFAOYSA-N -1 0 322.817 3.712 20 0 DHADRM COc1c(F)ccc(-c2c(F)cc(C(=O)[O-])cc2F)c1F ZINC001222412302 1023153153 /nfs/dbraw/zinc/15/31/53/1023153153.db2.gz JJUDZUHKBUVNEB-UHFFFAOYSA-N -1 0 300.207 3.617 20 0 DHADRM COc1ccc(Cl)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769586822 1023182777 /nfs/dbraw/zinc/18/27/77/1023182777.db2.gz SQHAEENJILGYER-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM COc1ccc2cc(Nc3ccc(C(=O)[O-])c(C)c3)ccc2n1 ZINC001211658112 1023225891 /nfs/dbraw/zinc/22/58/91/1023225891.db2.gz ATSANCPAOZIQLL-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM Cc1cc(C)cc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000320594238 1023238870 /nfs/dbraw/zinc/23/88/70/1023238870.db2.gz OWXBGQOGMLYQBQ-UHFFFAOYSA-N -1 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CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)cc(F)c1[O-] ZINC000933344639 1027718760 /nfs/dbraw/zinc/71/87/60/1027718760.db2.gz OLVDUQOBQNVPIG-OAHLLOKOSA-N -1 0 320.339 3.679 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000814020739 1027813790 /nfs/dbraw/zinc/81/37/90/1027813790.db2.gz VTERBTQHMVCLPB-INIZCTEOSA-N -1 0 323.458 3.554 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)C(F)(F)F ZINC001448554085 1027897895 /nfs/dbraw/zinc/89/78/95/1027897895.db2.gz TZBXNKPLTRQSMJ-RDDDGLTNSA-N -1 0 309.715 3.752 20 0 DHADRM CC1CCC2(CC[N@H+](Cc3nc(=O)c4sccc4[n-]3)C2)CC1 ZINC000365260782 1027912740 /nfs/dbraw/zinc/91/27/40/1027912740.db2.gz UEOHVDMKAGIIJO-UHFFFAOYSA-N -1 0 317.458 3.799 20 0 DHADRM CCc1nc(CN=c2nc(-c3ccccc3C)[n-]s2)cs1 ZINC000527880478 1027951101 /nfs/dbraw/zinc/95/11/01/1027951101.db2.gz AWJFAKBGQHHZLG-UHFFFAOYSA-N -1 0 316.455 3.566 20 0 DHADRM Cc1cc(-c2ccc(O[C@@H]3CCOC3)c(C)c2)c(C(=O)[O-])s1 ZINC000577866828 1027965409 /nfs/dbraw/zinc/96/54/09/1027965409.db2.gz FXDFVANIXCMZNF-CYBMUJFWSA-N -1 0 318.394 3.898 20 0 DHADRM Cc1oc([C@@H](C)N2Cc3ccccc3O[C@H](C)C2)cc1C(=O)[O-] ZINC000578084127 1028043978 /nfs/dbraw/zinc/04/39/78/1028043978.db2.gz QEGGKTDUFFQGJN-VXGBXAGGSA-N -1 0 315.369 3.630 20 0 DHADRM CC(C)CCN(C(=O)Cc1ccc(O)c(F)c1)C1CCCC1 ZINC000448821961 1028104807 /nfs/dbraw/zinc/10/48/07/1028104807.db2.gz IAOUBCGSOCYBGR-UHFFFAOYSA-N -1 0 307.409 3.891 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)CCC2 ZINC000578298012 1028112439 /nfs/dbraw/zinc/11/24/39/1028112439.db2.gz JFWWJJLIUWPTBQ-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM C[C@@H](C1CC1)n1cc(N=c2nc(C3CCCC3)[n-]s2)cn1 ZINC000578312434 1028119127 /nfs/dbraw/zinc/11/91/27/1028119127.db2.gz WTNNDIKFWKYUAO-JTQLQIEISA-N -1 0 303.435 3.529 20 0 DHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)s1 ZINC000048530450 1028127010 /nfs/dbraw/zinc/12/70/10/1028127010.db2.gz ADGMMIGEXIZACP-KHPPLWFESA-N -1 0 321.423 3.616 20 0 DHADRM CCc1ccc2c(c1)CCN2Cc1nc(=O)c2sccc2[n-]1 ZINC000934906712 1028149502 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O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000263478510 1031198888 /nfs/dbraw/zinc/19/88/88/1031198888.db2.gz ZUVZYXDILLMMHA-LUKYLMHMSA-N -1 0 321.461 3.839 20 0 DHADRM CCC1(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CCCCC1 ZINC000263507341 1031201010 /nfs/dbraw/zinc/20/10/10/1031201010.db2.gz BLFMBPIPELMZKJ-NSHDSACASA-N -1 0 324.446 3.687 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2oc(SC)cc2C)c1 ZINC000615107076 1031226881 /nfs/dbraw/zinc/22/68/81/1031226881.db2.gz DEVCOUHKFKWWES-UHFFFAOYSA-N -1 0 319.382 3.861 20 0 DHADRM Cc1ccc(NCc2cnc(C3CC3)s2)c(C)c1C(=O)[O-] ZINC000871885041 1031373421 /nfs/dbraw/zinc/37/34/21/1031373421.db2.gz ORTACFFPLCBQCI-UHFFFAOYSA-N -1 0 302.399 3.948 20 0 DHADRM Cc1ccccc1[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000871883573 1031374489 /nfs/dbraw/zinc/37/44/89/1031374489.db2.gz ROCYFHWMGNNNPI-OAHLLOKOSA-N -1 0 318.442 3.665 20 0 DHADRM Cc1c([N-]S(=O)(=O)Cc2ccccc2C)noc1C(C)(C)C ZINC000872007272 1031394122 /nfs/dbraw/zinc/39/41/22/1031394122.db2.gz 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ZINC001174141377 1034166532 /nfs/dbraw/zinc/16/65/32/1034166532.db2.gz UGMZKFBGVQBVAV-UHFFFAOYSA-N -1 0 311.168 3.802 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000863817494 1034199648 /nfs/dbraw/zinc/19/96/48/1034199648.db2.gz MAQIVNZJDXRDCA-ZZKXABKFSA-N -1 0 316.426 3.935 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2CC(C)(C)CO2)c1 ZINC000880075355 1034202927 /nfs/dbraw/zinc/20/29/27/1034202927.db2.gz JIXGQHZBVRKTBA-CYBMUJFWSA-N -1 0 319.401 3.519 20 0 DHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H](CF)C1 ZINC000829199283 1034221326 /nfs/dbraw/zinc/22/13/26/1034221326.db2.gz JMIYIATVDZOADB-MRVPVSSYSA-N -1 0 306.164 3.521 20 0 DHADRM CC1(C)C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCS1 ZINC000888801007 1034225117 /nfs/dbraw/zinc/22/51/17/1034225117.db2.gz UEZCPKXFCNNKKU-VIFPVBQESA-N -1 0 317.813 3.589 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000864109241 1034292626 /nfs/dbraw/zinc/29/26/26/1034292626.db2.gz OTOXDIYWWTXZJY-XJKSGUPXSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H]2CCC(C)C)cc1C(=O)[O-] ZINC000864135652 1034297309 /nfs/dbraw/zinc/29/73/09/1034297309.db2.gz HPAISWBVWFYRCZ-HNNXBMFYSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000864147577 1034297441 /nfs/dbraw/zinc/29/74/41/1034297441.db2.gz OMDUVLCLDULZSG-WCQYABFASA-N -1 0 323.348 3.521 20 0 DHADRM Cc1ccc(N(CC2CC2)C(=O)CC2(C(=O)[O-])CCC2)cc1F ZINC000864178694 1034300017 /nfs/dbraw/zinc/30/00/17/1034300017.db2.gz JOLPLHNROVFJHX-UHFFFAOYSA-N -1 0 319.376 3.522 20 0 DHADRM Cc1ccc(C(=O)N(C)C(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000864158279 1034300072 /nfs/dbraw/zinc/30/00/72/1034300072.db2.gz HIYDUEVUADYNRW-UHFFFAOYSA-N -1 0 311.381 3.701 20 0 DHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864227908 1034303016 /nfs/dbraw/zinc/30/30/16/1034303016.db2.gz IGFRUIURDLDKDE-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(C3CC3)cc2F)CC1 ZINC000864222417 1034303438 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O=C([O-])/C=C/c1cccc(Nc2cc(OC(F)(F)F)ccn2)c1 ZINC001174496353 1034412347 /nfs/dbraw/zinc/41/23/47/1034412347.db2.gz HUYAXAGAESUBER-SNAWJCMRSA-N -1 0 324.258 3.822 20 0 DHADRM Cc1cnn(CC2CCC2)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495301 1034412724 /nfs/dbraw/zinc/41/27/24/1034412724.db2.gz KTBNJOPXVCAUHT-CMDGGOBGSA-N -1 0 311.385 3.833 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccccc2C2OCCO2)c1 ZINC001174497088 1034414631 /nfs/dbraw/zinc/41/46/31/1034414631.db2.gz DRBSGBWCZNWWNI-CMDGGOBGSA-N -1 0 311.337 3.573 20 0 DHADRM Cc1ccc(CCCO)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497311 1034415123 /nfs/dbraw/zinc/41/51/23/1034415123.db2.gz MHYCPYXFDRFAJQ-CSKARUKUSA-N -1 0 311.381 3.761 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(C3OCCO3)cc2)c1 ZINC001174496754 1034415620 /nfs/dbraw/zinc/41/56/20/1034415620.db2.gz UIUUTSRMFBKAEQ-RUDMXATFSA-N -1 0 311.337 3.573 20 0 DHADRM COc1c(F)ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174499930 1034431787 /nfs/dbraw/zinc/43/17/87/1034431787.db2.gz 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CCOc1ccc(-c2cc(=O)n(C3CCC(F)(F)CC3)[n-]2)cc1 ZINC000899366885 1034614686 /nfs/dbraw/zinc/61/46/86/1034614686.db2.gz RAEIZCNCSWMJPQ-UHFFFAOYSA-N -1 0 322.355 3.600 20 0 DHADRM CC(C)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)CC(F)F ZINC000881537238 1034624605 /nfs/dbraw/zinc/62/46/05/1034624605.db2.gz SXCIVUOEDUVADM-UHFFFAOYSA-N -1 0 314.357 3.528 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(OCC(F)(F)F)nc2)s1 ZINC001174805601 1034631807 /nfs/dbraw/zinc/63/18/07/1034631807.db2.gz URCUTTKGTDXOLQ-UHFFFAOYSA-N -1 0 318.276 3.526 20 0 DHADRM COc1ccc(-n2cccc2)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174810785 1034635378 /nfs/dbraw/zinc/63/53/78/1034635378.db2.gz SQMZEIMOICZIGF-UHFFFAOYSA-N -1 0 314.366 3.989 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H](CF)C1 ZINC000881670591 1034674507 /nfs/dbraw/zinc/67/45/07/1034674507.db2.gz NQEQRXVATJYNPG-JTQLQIEISA-N -1 0 307.752 3.630 20 0 DHADRM CC[C@H](C)CO[N-]C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000794843963 1034686147 /nfs/dbraw/zinc/68/61/47/1034686147.db2.gz 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ZINC001174985718 1034746155 /nfs/dbraw/zinc/74/61/55/1034746155.db2.gz FVVBMFZOYSCLDZ-UHFFFAOYSA-N -1 0 317.316 3.671 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1-c1ccccc1C ZINC001174983710 1034746792 /nfs/dbraw/zinc/74/67/92/1034746792.db2.gz QPFXCAKFUCRKBN-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c(c1)CC(C)(C)NC2=O ZINC001174985717 1034747437 /nfs/dbraw/zinc/74/74/37/1034747437.db2.gz FVIQTPIZZBCKMV-UHFFFAOYSA-N -1 0 324.380 3.501 20 0 DHADRM O=S(=O)([O-])c1c(Nc2ccc(O)cc2)ccc2ccccc21 ZINC001175050880 1034775603 /nfs/dbraw/zinc/77/56/03/1034775603.db2.gz IOQMDRKJFFOJDA-UHFFFAOYSA-N -1 0 315.350 3.536 20 0 DHADRM CC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2)cc(C(C)=O)c1 ZINC001175161761 1034818951 /nfs/dbraw/zinc/81/89/51/1034818951.db2.gz ZMIXQVWVKHHSLU-UHFFFAOYSA-N -1 0 315.300 3.673 20 0 DHADRM O=C([O-])c1ccc(Nc2c(F)c(F)cc(F)c2F)cc1F ZINC001175157388 1034819739 /nfs/dbraw/zinc/81/97/39/1034819739.db2.gz QXNJWKFINAVTRM-UHFFFAOYSA-N -1 0 303.186 3.824 20 0 DHADRM CC(=O)Nc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175157595 1034820011 /nfs/dbraw/zinc/82/00/11/1034820011.db2.gz JYARXPXHYDCTLB-UHFFFAOYSA-N -1 0 322.723 3.879 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(OC(F)(F)F)ccn2)cc1F ZINC001175158101 1034820455 /nfs/dbraw/zinc/82/04/55/1034820455.db2.gz XVXGOXQTLANBLK-UHFFFAOYSA-N -1 0 316.210 3.561 20 0 DHADRM CO[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(F)c3)cccc21 ZINC001175160947 1034821784 /nfs/dbraw/zinc/82/17/84/1034821784.db2.gz OSRZLVGJFYXBKQ-OAHLLOKOSA-N -1 0 317.316 3.738 20 0 DHADRM CC1(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc2)COC1 ZINC001175161582 1034838599 /nfs/dbraw/zinc/83/85/99/1034838599.db2.gz IPYQKVNNHFXQJS-UHFFFAOYSA-N -1 0 301.317 3.555 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccncc2F)cc1 ZINC001175202272 1034847351 /nfs/dbraw/zinc/84/73/51/1034847351.db2.gz QVGJWBYHVGBVAH-OAHLLOKOSA-N -1 0 302.349 3.601 20 0 DHADRM O=C([O-])c1cc(Nc2ccnn2Cc2ccccc2)ccc1F ZINC001175215249 1034870986 /nfs/dbraw/zinc/87/09/86/1034870986.db2.gz AZOSHUWIMHQHPV-UHFFFAOYSA-N -1 0 311.316 3.512 20 0 DHADRM CCOC(=O)c1c(C)csc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216162 1034871131 /nfs/dbraw/zinc/87/11/31/1034871131.db2.gz ZOYIPAPEBUDAAE-UHFFFAOYSA-N -1 0 323.345 3.814 20 0 DHADRM O=C([O-])c1cc(Nc2cccc(Cn3ccnc3)c2)ccc1F ZINC001175218643 1034871166 /nfs/dbraw/zinc/87/11/66/1034871166.db2.gz JJVJXOBBKUMKNP-UHFFFAOYSA-N -1 0 311.316 3.512 20 0 DHADRM O=C([O-])c1cc(Nc2ccc(N3CCCC3)cc2)ccc1F ZINC001175218446 1034871820 /nfs/dbraw/zinc/87/18/20/1034871820.db2.gz DFVDELJITZWEDH-UHFFFAOYSA-N -1 0 300.333 3.868 20 0 DHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175222569 1034872481 /nfs/dbraw/zinc/87/24/81/1034872481.db2.gz WJVPCXZWNMWQCR-SNVBAGLBSA-N -1 0 317.316 3.544 20 0 DHADRM COC(=O)c1cc(C)c(F)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221190 1034873090 /nfs/dbraw/zinc/87/30/90/1034873090.db2.gz ANCCTJYTIKPQAW-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM O=C([O-])c1cc(Nc2ccc3c(c2)[C@H](O)CCC3)ccc1F ZINC001175220807 1034873192 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Nc1cn(-c2ccc(C(=O)[O-])c(Cl)c2)c2nccc-2c1Cl ZINC001175314572 1034929211 /nfs/dbraw/zinc/92/92/11/1034929211.db2.gz HWZKGDFKLHWHBN-UHFFFAOYSA-N -1 0 322.151 3.564 20 0 DHADRM CCOC(=O)c1occc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315099 1034929246 /nfs/dbraw/zinc/92/92/46/1034929246.db2.gz MOHJMRSUVDUFCR-UHFFFAOYSA-N -1 0 309.705 3.552 20 0 DHADRM Cn1c(Nc2ccc(C(=O)[O-])c(Cl)c2)nc2ccccc21 ZINC001175314368 1034929460 /nfs/dbraw/zinc/92/94/60/1034929460.db2.gz SYIWNABNFVHIOI-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175318646 1034930403 /nfs/dbraw/zinc/93/04/03/1034930403.db2.gz CEXBMLGXXLFGSE-UHFFFAOYSA-N -1 0 319.744 3.959 20 0 DHADRM Cn1nc(C(C)(C)C)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175317151 1034930821 /nfs/dbraw/zinc/93/08/21/1034930821.db2.gz VDBMWXPJRXUCNN-UHFFFAOYSA-N -1 0 307.781 3.813 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc(C3OCCO3)c2)cc1Cl ZINC001175321016 1034932513 /nfs/dbraw/zinc/93/25/13/1034932513.db2.gz XSCFOJVXMWDRKQ-UHFFFAOYSA-N 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C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])C1(c2ccccc2)CCCC1 ZINC000569899382 332690739 /nfs/dbraw/zinc/69/07/39/332690739.db2.gz ITKCDKIFHOITLQ-CQSZACIVSA-N -1 0 317.429 3.504 20 0 DHADRM CC(C)(CC(=O)N1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC000570277819 332734364 /nfs/dbraw/zinc/73/43/64/332734364.db2.gz WDKWKQJFWRDBGA-MRXNPFEDSA-N -1 0 317.429 3.501 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108654792 333009544 /nfs/dbraw/zinc/00/95/44/333009544.db2.gz GENCVOHTYKMSAI-ZIAGYGMSSA-N -1 0 303.402 3.948 20 0 DHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(F)cc1[O-] ZINC000178997444 333023244 /nfs/dbraw/zinc/02/32/44/333023244.db2.gz LDWVSTCYFUQFMH-UHFFFAOYSA-N -1 0 314.360 3.692 20 0 DHADRM O=C([O-])C1(CNC(=O)c2csc3ccccc23)CCCCC1 ZINC000179195048 333024467 /nfs/dbraw/zinc/02/44/67/333024467.db2.gz CPPMCBBJFRAMBB-UHFFFAOYSA-N -1 0 317.410 3.666 20 0 DHADRM C[C@@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000179596480 333025557 /nfs/dbraw/zinc/02/55/57/333025557.db2.gz 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ZINC000563596069 333635389 /nfs/dbraw/zinc/63/53/89/333635389.db2.gz AVFPVTJFSQQHHU-VFZGTOFNSA-N -1 0 323.439 3.713 20 0 DHADRM C[C@@H](CCNC(=O)CCc1ccccc1C(=O)[O-])CC(C)(C)C ZINC000262805780 333874235 /nfs/dbraw/zinc/87/42/35/333874235.db2.gz AQVYNQLPBDLWIX-AWEZNQCLSA-N -1 0 319.445 3.896 20 0 DHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414390162 333958713 /nfs/dbraw/zinc/95/87/13/333958713.db2.gz VRVNGTYEOHZRJG-UHFFFAOYSA-N -1 0 320.414 3.650 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414596186 334033385 /nfs/dbraw/zinc/03/33/85/334033385.db2.gz BMAZCHAENPMQML-CJNGLKHVSA-N -1 0 318.417 3.569 20 0 DHADRM CC(C)(C)Oc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000414608295 334040359 /nfs/dbraw/zinc/04/03/59/334040359.db2.gz JMOGQWSRBASQGO-UHFFFAOYSA-N -1 0 322.405 3.630 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414618114 334042380 /nfs/dbraw/zinc/04/23/80/334042380.db2.gz YQEHTYTXTPKDKZ-KRWDZBQOSA-N -1 0 320.433 3.670 20 0 DHADRM CCN(C(=O)NCCCCCC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000414619889 334043690 /nfs/dbraw/zinc/04/36/90/334043690.db2.gz CCWZBFPEIYGNBS-ZDUSSCGKSA-N -1 0 324.396 3.563 20 0 DHADRM CC(C)[C@H]1N(C(=O)NCCCCCC(=O)[O-])CC12CCCCC2 ZINC000414629318 334046338 /nfs/dbraw/zinc/04/63/38/334046338.db2.gz QRECLGKMIFQXRY-MRXNPFEDSA-N -1 0 324.465 3.632 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)NCCCCCC(=O)[O-] ZINC000414632707 334048280 /nfs/dbraw/zinc/04/82/80/334048280.db2.gz YOUKEDCDWKPGHA-UHFFFAOYSA-N -1 0 312.454 3.633 20 0 DHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000534668627 334319815 /nfs/dbraw/zinc/31/98/15/334319815.db2.gz BQMIASHLDTUJKO-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000049148381 334322000 /nfs/dbraw/zinc/32/20/00/334322000.db2.gz WVIGMJIMULJSMP-QMMMGPOBSA-N -1 0 309.774 3.591 20 0 DHADRM O=S(=O)(NC[C@H]1CC=CCC1)c1cc(Cl)cc(Cl)c1 ZINC000049282580 334324543 /nfs/dbraw/zinc/32/45/43/334324543.db2.gz CBSUXSWPETWUKA-JTQLQIEISA-N -1 0 320.241 3.628 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000532001498 334368224 /nfs/dbraw/zinc/36/82/24/334368224.db2.gz UKTIGNPUFMFUHU-UHFFFAOYSA-N -1 0 314.728 3.772 20 0 DHADRM CC[C@H](CC(=O)NC(CC)(CC)C(=O)[O-])c1ccc(C)cc1 ZINC000342526486 334545371 /nfs/dbraw/zinc/54/53/71/334545371.db2.gz NYBOWDWWCWMIJC-CQSZACIVSA-N -1 0 305.418 3.638 20 0 DHADRM Cc1csc(-c2cccc(NC(=O)CCCCC(=O)[O-])c2)n1 ZINC000342579254 334552664 /nfs/dbraw/zinc/55/26/64/334552664.db2.gz XMFLMDBYSNKVGZ-UHFFFAOYSA-N -1 0 318.398 3.702 20 0 DHADRM CCC(CC)(NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000342539849 334553872 /nfs/dbraw/zinc/55/38/72/334553872.db2.gz DCDGXVSKKXSDJI-HNNXBMFYSA-N -1 0 305.418 3.576 20 0 DHADRM FC(F)c1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000342841027 334581855 /nfs/dbraw/zinc/58/18/55/334581855.db2.gz NFBBNXUPJVKCQO-UHFFFAOYSA-N -1 0 309.263 3.529 20 0 DHADRM [O-]c1cc(Cl)ccc1-c1nc(COc2cccc(F)c2)no1 ZINC000188070271 334631514 /nfs/dbraw/zinc/63/15/14/334631514.db2.gz RTVXKBGXTGKBAP-UHFFFAOYSA-N -1 0 320.707 3.814 20 0 DHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1nc(C(C)(C)C)cs1 ZINC000416404924 334666790 /nfs/dbraw/zinc/66/67/90/334666790.db2.gz AXOPYVBTZRAGNE-SECBINFHSA-N -1 0 305.403 3.707 20 0 DHADRM CCC(CC)(C(=O)N=c1nc(C)[n-]s1)c1ccc(Cl)cc1 ZINC000443931127 338463704 /nfs/dbraw/zinc/46/37/04/338463704.db2.gz XLBHUYXRWMMPOM-UHFFFAOYSA-N -1 0 323.849 3.618 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1Cl ZINC000330669704 334797163 /nfs/dbraw/zinc/79/71/63/334797163.db2.gz LCBBZTOIIUPDQX-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM O=C(Nc1ccc(F)c(C2CC2)c1)c1c[nH]nc1-c1ccncc1 ZINC000343897252 335204117 /nfs/dbraw/zinc/20/41/17/335204117.db2.gz AOKGMKLFTNZJSF-UHFFFAOYSA-N -1 0 322.343 3.741 20 0 DHADRM Cc1oc(C2CC2)nc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345630828 335337969 /nfs/dbraw/zinc/33/79/69/335337969.db2.gz LCCHEYBOSCROBL-UHFFFAOYSA-N -1 0 310.712 3.611 20 0 DHADRM COc1cc(C)sc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345635494 335338467 /nfs/dbraw/zinc/33/84/67/335338467.db2.gz NQUICLGEVILCME-UHFFFAOYSA-N -1 0 315.753 3.816 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345774186 335350623 /nfs/dbraw/zinc/35/06/23/335350623.db2.gz KGSYAPAUUQHLAZ-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000345877043 335357679 /nfs/dbraw/zinc/35/76/79/335357679.db2.gz PGJXHMLZEZHXIB-CYBMUJFWSA-N -1 0 324.163 3.549 20 0 DHADRM Cc1ccccc1C1=CCN(C(=O)c2cc(O)ccc2Cl)C1 ZINC000345970205 335364963 /nfs/dbraw/zinc/36/49/63/335364963.db2.gz UUTDOWCMHSYNHV-UHFFFAOYSA-N -1 0 313.784 3.893 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)c2n1 ZINC000191034893 335460597 /nfs/dbraw/zinc/46/05/97/335460597.db2.gz HUPYDWONNDOUQE-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000347270485 335485083 /nfs/dbraw/zinc/48/50/83/335485083.db2.gz UIKULQRVUAVJEW-HZPDHXFCSA-N -1 0 305.418 3.576 20 0 DHADRM Cc1cc(CNC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC000347400886 335493555 /nfs/dbraw/zinc/49/35/55/335493555.db2.gz AFFUKNYORMAOKF-UHFFFAOYSA-N -1 0 323.820 3.690 20 0 DHADRM Fc1cccc(F)c1-c1ccc(CN=c2[n-]c(C3CC3)no2)o1 ZINC000347752799 335527060 /nfs/dbraw/zinc/52/70/60/335527060.db2.gz FINRAPSWKACTQA-UHFFFAOYSA-N -1 0 317.295 3.519 20 0 DHADRM O=C(Nc1ccc2c(c1)CCCO2)c1cc(Cl)ccc1[O-] ZINC000394968808 335621277 /nfs/dbraw/zinc/62/12/77/335621277.db2.gz USXJXDFRQCGHBY-UHFFFAOYSA-N -1 0 303.745 3.623 20 0 DHADRM O=C(CC1CCC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000535656535 335710258 /nfs/dbraw/zinc/71/02/58/335710258.db2.gz UKYOACIPUIGZPU-UHFFFAOYSA-N -1 0 318.598 3.937 20 0 DHADRM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccsc1 ZINC000350802199 335785941 /nfs/dbraw/zinc/78/59/41/335785941.db2.gz NDZKKFZVHJCXAS-UHFFFAOYSA-N -1 0 321.345 3.654 20 0 DHADRM Cc1cc(F)ccc1NC(=O)c1cccc(Br)c1[O-] ZINC000519311176 335831320 /nfs/dbraw/zinc/83/13/20/335831320.db2.gz SHAPPENUDJZOGY-UHFFFAOYSA-N -1 0 324.149 3.855 20 0 DHADRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000350943547 335967936 /nfs/dbraw/zinc/96/79/36/335967936.db2.gz QMYAMTVAEGITMO-UHFFFAOYSA-N -1 0 309.387 3.505 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520411915 335975398 /nfs/dbraw/zinc/97/53/98/335975398.db2.gz IILLAOPOSZUDSE-GPANFISMSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCS1 ZINC000191943601 336005676 /nfs/dbraw/zinc/00/56/76/336005676.db2.gz JMYSZKSGOHTWMK-MRVPVSSYSA-N -1 0 320.241 3.667 20 0 DHADRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccoc2)s1 ZINC000351394617 336031897 /nfs/dbraw/zinc/03/18/97/336031897.db2.gz HKDMQCWZZDUSEO-UHFFFAOYSA-N -1 0 320.395 3.512 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)c2occc2-c2ccccc2)cc1 ZINC000324051691 336037846 /nfs/dbraw/zinc/03/78/46/336037846.db2.gz UPZVKJZFWRYJLI-UHFFFAOYSA-N -1 0 321.332 3.575 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3sccc3c2)c2ccccc21 ZINC000395445178 336122626 /nfs/dbraw/zinc/12/26/26/336122626.db2.gz WUTCDIDSUUTSCQ-AWEZNQCLSA-N -1 0 323.373 3.730 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cccc2ccsc21)C(=O)[O-] ZINC000395497804 336133711 /nfs/dbraw/zinc/13/37/11/336133711.db2.gz PYYISBRCZNJMAB-UHFFFAOYSA-N -1 0 320.414 3.914 20 0 DHADRM O=C([O-])c1cccc2oc(/C=C3/COc4ccc(F)cc43)nc21 ZINC000352006012 336188214 /nfs/dbraw/zinc/18/82/14/336188214.db2.gz FPCZUSRGFSVKNJ-TWGQIWQCSA-N -1 0 311.268 3.598 20 0 DHADRM Cn1cnc2cc(/C=C/c3nc4c(cccc4C(=O)[O-])o3)ccc21 ZINC000352009395 336188308 /nfs/dbraw/zinc/18/83/08/336188308.db2.gz WRMVESAJUHGQCT-SOFGYWHQSA-N -1 0 319.320 3.583 20 0 DHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000192617763 336195994 /nfs/dbraw/zinc/19/59/94/336195994.db2.gz TTZHBGYXAFYCTG-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM CC(C)n1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cn1 ZINC000352145331 336196665 /nfs/dbraw/zinc/19/66/65/336196665.db2.gz LKDQLRFTZFKTLZ-QPEQYQDCSA-N -1 0 311.341 3.621 20 0 DHADRM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C)c1C ZINC000352210121 336202974 /nfs/dbraw/zinc/20/29/74/336202974.db2.gz FLRUJDDTRRPOAT-UHFFFAOYSA-N -1 0 320.392 3.812 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000324850973 336265098 /nfs/dbraw/zinc/26/50/98/336265098.db2.gz MGJQVRGDBPLZTO-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874601 336273798 /nfs/dbraw/zinc/27/37/98/336273798.db2.gz ODNSNBTZZCRORN-DLBZAZTESA-N -1 0 323.477 3.942 20 0 DHADRM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000192871427 336278191 /nfs/dbraw/zinc/27/81/91/336278191.db2.gz ZRGSHICEWOUOBB-MRXNPFEDSA-N -1 0 313.353 3.526 20 0 DHADRM Cc1nn(-c2ccccc2)c(C)c1[N-]c1nc(C2CC2)ns1 ZINC000301932678 336338651 /nfs/dbraw/zinc/33/86/51/336338651.db2.gz PKCBEGVMRSOLFH-UHFFFAOYSA-N -1 0 311.414 3.962 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])C1CCC(OC(F)F)CC1 ZINC000354497304 336473010 /nfs/dbraw/zinc/47/30/10/336473010.db2.gz JOUWLJDPUMSFAZ-UHFFFAOYSA-N -1 0 319.735 3.782 20 0 DHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000355547208 336513810 /nfs/dbraw/zinc/51/38/10/336513810.db2.gz OWKBLRNXTSFURJ-AWEZNQCLSA-N -1 0 319.307 3.570 20 0 DHADRM COc1ccc(F)cc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000359163784 336660879 /nfs/dbraw/zinc/66/08/79/336660879.db2.gz WWUKZYLYUUBLDY-QPJJXVBHSA-N -1 0 316.332 3.616 20 0 DHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)s1 ZINC000359561121 336677896 /nfs/dbraw/zinc/67/78/96/336677896.db2.gz NBRNNWNIVCOOLA-UHFFFAOYSA-N -1 0 308.428 3.520 20 0 DHADRM CC[C@@](NC(=O)c1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC000362332013 336792648 /nfs/dbraw/zinc/79/26/48/336792648.db2.gz FTYFKVVRMXIDFG-IBGZPJMESA-N -1 0 323.348 3.553 20 0 DHADRM O=C([O-])c1cc(NCc2coc(-c3ccccc3)n2)ccc1F ZINC000362360198 336793534 /nfs/dbraw/zinc/79/35/34/336793534.db2.gz SRJGUPPDBQRKRI-UHFFFAOYSA-N -1 0 312.300 3.791 20 0 DHADRM Cc1nc(C)c(CNc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000362358545 336793571 /nfs/dbraw/zinc/79/35/71/336793571.db2.gz KIIUISNJUGEEOH-UHFFFAOYSA-N -1 0 320.414 3.857 20 0 DHADRM CCC(CC)(CC(=O)NCc1ccc(C)cc1SC)C(=O)[O-] ZINC000362430621 336796890 /nfs/dbraw/zinc/79/68/90/336796890.db2.gz OCUCMUNNIYAPAT-UHFFFAOYSA-N -1 0 323.458 3.614 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)s1 ZINC000120812865 336922889 /nfs/dbraw/zinc/92/28/89/336922889.db2.gz KNJKVYVXWNQEKC-UHFFFAOYSA-N -1 0 324.452 3.775 20 0 DHADRM O=C(c1cc(Cl)ccc1O)N1CCC=C(c2ccco2)C1 ZINC000376035605 337025654 /nfs/dbraw/zinc/02/56/54/337025654.db2.gz DIQRIHHVXHBPCD-UHFFFAOYSA-N -1 0 303.745 3.568 20 0 DHADRM C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000377397323 337051827 /nfs/dbraw/zinc/05/18/27/337051827.db2.gz GLIGJBQCZQXCJN-GLEZIHRCSA-N -1 0 321.735 3.688 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000377571160 337055340 /nfs/dbraw/zinc/05/53/40/337055340.db2.gz IVBDKLMVZOKBQY-KRWDZBQOSA-N -1 0 317.429 3.645 20 0 DHADRM CC(C)c1n[nH]cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000193785032 337080166 /nfs/dbraw/zinc/08/01/66/337080166.db2.gz MJRGBDIMCFRWEE-UHFFFAOYSA-N -1 0 314.172 3.798 20 0 DHADRM CCSc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000582743473 337128340 /nfs/dbraw/zinc/12/83/40/337128340.db2.gz ICJZKDXSEIDBLW-ZDUSSCGKSA-N -1 0 321.442 3.516 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1 ZINC000173997413 337140501 /nfs/dbraw/zinc/14/05/01/337140501.db2.gz XVRXECDDCXYKHD-UHFFFAOYSA-N -1 0 322.455 3.945 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C)s1 ZINC000174011316 337140567 /nfs/dbraw/zinc/14/05/67/337140567.db2.gz UOANGJVDQZDCAI-UHFFFAOYSA-N -1 0 316.473 3.746 20 0 DHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)s1 ZINC000175688358 337147052 /nfs/dbraw/zinc/14/70/52/337147052.db2.gz VEYSSBAGBGDECA-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM Cc1c(NC(=O)c2cccc(O)c2)cnn1-c1cc(C)ccc1C ZINC000182856782 337190476 /nfs/dbraw/zinc/19/04/76/337190476.db2.gz JLMXAIIBOKWMCC-UHFFFAOYSA-N -1 0 321.380 3.755 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000183325593 337191366 /nfs/dbraw/zinc/19/13/66/337191366.db2.gz XKNCFXNJWUOKRW-UHFFFAOYSA-N -1 0 300.097 3.537 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1c1ccccc1 ZINC000184930137 337201708 /nfs/dbraw/zinc/20/17/08/337201708.db2.gz GGXAIAAFKFXNPE-CYBMUJFWSA-N -1 0 321.298 3.787 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000321447401 337266334 /nfs/dbraw/zinc/26/63/34/337266334.db2.gz GJPTXERPZVNOGX-UHFFFAOYSA-N -1 0 314.385 3.852 20 0 DHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000583210247 337271869 /nfs/dbraw/zinc/27/18/69/337271869.db2.gz PCJDLQKZNLBHEH-INIZCTEOSA-N -1 0 315.369 3.756 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC12CCCCC2 ZINC000583235773 337282342 /nfs/dbraw/zinc/28/23/42/337282342.db2.gz JJUGUXSFLSTZMW-CQSZACIVSA-N -1 0 315.413 3.817 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)c2n1 ZINC000190871067 337290267 /nfs/dbraw/zinc/29/02/67/337290267.db2.gz SMHKMSLCKYLIAL-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000013440348 337312270 /nfs/dbraw/zinc/31/22/70/337312270.db2.gz IRNJLSZLPMJMSD-UHFFFAOYSA-N -1 0 317.772 3.538 20 0 DHADRM CC[C@@H](Sc1nc(C)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000020374863 337328433 /nfs/dbraw/zinc/32/84/33/337328433.db2.gz LQUPUGIPWQYRGY-SNVBAGLBSA-N -1 0 322.455 3.834 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1csc(C2CCCC2)n1)C1CCC1 ZINC000583764335 337331725 /nfs/dbraw/zinc/33/17/25/337331725.db2.gz FUQYYQDPCZWTIT-LLVKDONJSA-N -1 0 308.447 3.628 20 0 DHADRM CCCC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035410676 337343516 /nfs/dbraw/zinc/34/35/16/337343516.db2.gz PSQHNCAYFMBJIZ-NSHDSACASA-N -1 0 319.188 3.758 20 0 DHADRM Cc1cc(F)cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000584567952 337364614 /nfs/dbraw/zinc/36/46/14/337364614.db2.gz WXXYEXXXXHFVBV-CYBMUJFWSA-N -1 0 310.369 3.535 20 0 DHADRM Cc1ccc([C@@H]2CSCCN2Cc2ccc(C(=O)[O-])o2)cc1 ZINC000583877305 337369046 /nfs/dbraw/zinc/36/90/46/337369046.db2.gz DHDBWCBIIGBRRU-HNNXBMFYSA-N -1 0 317.410 3.576 20 0 DHADRM CCC(CC)c1cc(C(=O)[N-]c2nnc(CC(C)C)s2)on1 ZINC000129592515 337430042 /nfs/dbraw/zinc/43/00/42/337430042.db2.gz ZOMQQSYMFLRXCE-UHFFFAOYSA-N -1 0 322.434 3.881 20 0 DHADRM C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000425246763 337443943 /nfs/dbraw/zinc/44/39/43/337443943.db2.gz WTSIUVQEVGEDLO-IUODEOHRSA-N -1 0 321.442 3.769 20 0 DHADRM CCC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000236954858 337466747 /nfs/dbraw/zinc/46/67/47/337466747.db2.gz UIDWMEGGHXYPJJ-CRAIPNDOSA-N -1 0 305.418 3.576 20 0 DHADRM CSc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000237312992 337468522 /nfs/dbraw/zinc/46/85/22/337468522.db2.gz UQDHVGDDYIMYJA-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237412978 337468745 /nfs/dbraw/zinc/46/87/45/337468745.db2.gz SXWUIMFHHFBXPT-GFCCVEGCSA-N -1 0 323.348 3.964 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCC(C)(C)C ZINC000237579997 337468970 /nfs/dbraw/zinc/46/89/70/337468970.db2.gz HCNHXZWPLRSFML-OAHLLOKOSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237723149 337469292 /nfs/dbraw/zinc/46/92/92/337469292.db2.gz KNRILOGSPBGIFP-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM O=C(NC1(c2ccccc2)CCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000194390864 338520975 /nfs/dbraw/zinc/52/09/75/338520975.db2.gz WBIPWZMNTKXGPB-UHFFFAOYSA-N -1 0 319.763 3.994 20 0 DHADRM COc1ccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1F ZINC000255133417 337601513 /nfs/dbraw/zinc/60/15/13/337601513.db2.gz QRXHGZGQSLNAJT-ALCCZGGFSA-N -1 0 316.332 3.616 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000321110735 337609758 /nfs/dbraw/zinc/60/97/58/337609758.db2.gz OHDCDHZIAKMYPB-GFCCVEGCSA-N -1 0 309.365 3.697 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000262043840 337614679 /nfs/dbraw/zinc/61/46/79/337614679.db2.gz AQMDQXIXQYMIPF-PXAZEXFGSA-N -1 0 321.442 3.514 20 0 DHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc21 ZINC000262141120 337615413 /nfs/dbraw/zinc/61/54/13/337615413.db2.gz IOTBTMGSTLDFGE-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000262158136 337615675 /nfs/dbraw/zinc/61/56/75/337615675.db2.gz SECLKGYQGPQXQD-UHFFFAOYSA-N -1 0 318.398 3.601 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC2(C1)CCCCC2 ZINC000262171688 337615701 /nfs/dbraw/zinc/61/57/01/337615701.db2.gz PBZCTAPCKADKDQ-UHFFFAOYSA-N -1 0 315.413 3.500 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262163079 337615720 /nfs/dbraw/zinc/61/57/20/337615720.db2.gz NBJDIIPBGQRSFM-FZMZJTMJSA-N -1 0 311.809 3.798 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000262174765 337615856 /nfs/dbraw/zinc/61/58/56/337615856.db2.gz VUXLSAAMKSWHJH-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM CC[C@H](CC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262433531 337617655 /nfs/dbraw/zinc/61/76/55/337617655.db2.gz MVCBAFKFHBZREU-MRXNPFEDSA-N -1 0 317.429 3.592 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)CCC2 ZINC000262437725 337618047 /nfs/dbraw/zinc/61/80/47/337618047.db2.gz CJEJJAUATCEJBR-UHFFFAOYSA-N -1 0 309.365 3.743 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC(C)(C)C1 ZINC000262497944 337618691 /nfs/dbraw/zinc/61/86/91/337618691.db2.gz XTSKOCVIGGUZHE-RBSFLKMASA-N -1 0 321.461 3.552 20 0 DHADRM CCc1ccsc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262538684 337619124 /nfs/dbraw/zinc/61/91/24/337619124.db2.gz UPKMLHMWAFKSTO-FZMZJTMJSA-N -1 0 317.410 3.502 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1 ZINC000262834401 337621786 /nfs/dbraw/zinc/62/17/86/337621786.db2.gz BWNNVSJKEGNFHN-WDEREUQCSA-N -1 0 303.383 3.678 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCCC[C@@H](C)C1)C(=O)[O-] ZINC000262890298 337622133 /nfs/dbraw/zinc/62/21/33/337622133.db2.gz HKCROSSYCRUJIB-OLZOCXBDSA-N -1 0 321.442 3.514 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000262920328 337622369 /nfs/dbraw/zinc/62/23/69/337622369.db2.gz JIIBZLJWESQJHC-NEPJUHHUSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262955060 337622692 /nfs/dbraw/zinc/62/26/92/337622692.db2.gz BHGZDEFMHFSWOT-UYSNPLJNSA-N -1 0 324.465 3.630 20 0 DHADRM CCC(CC)CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262962200 337622699 /nfs/dbraw/zinc/62/26/99/337622699.db2.gz OIGBAHLOBBGRRX-UHFFFAOYSA-N -1 0 305.418 3.706 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000262989156 337622718 /nfs/dbraw/zinc/62/27/18/337622718.db2.gz NZLVPPLQXPBYFE-KXBFYZLASA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)Sc1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000262992943 337622745 /nfs/dbraw/zinc/62/27/45/337622745.db2.gz VJTCURIGFUIDSF-UHFFFAOYSA-N -1 0 321.442 3.704 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC000263027265 337623328 /nfs/dbraw/zinc/62/33/28/337623328.db2.gz YZMFANWWIXNFPK-JYJNAYRXSA-N -1 0 309.450 3.695 20 0 DHADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263056098 337623733 /nfs/dbraw/zinc/62/37/33/337623733.db2.gz OFAHCAWZQSRRRJ-CXAGYDPISA-N -1 0 313.397 3.908 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1 ZINC000263058174 337623787 /nfs/dbraw/zinc/62/37/87/337623787.db2.gz GFBFZRIHKYPNFD-CABCVRRESA-N -1 0 303.402 3.535 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NCCCC(=O)[O-])c2)o1 ZINC000263076737 337624121 /nfs/dbraw/zinc/62/41/21/337624121.db2.gz QRCZERARFBBBHV-UHFFFAOYSA-N -1 0 316.357 3.550 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000263089712 337624171 /nfs/dbraw/zinc/62/41/71/337624171.db2.gz HSYRJEFJSXXVMO-UKRRQHHQSA-N -1 0 321.392 3.674 20 0 DHADRM CCCc1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000263188742 337625235 /nfs/dbraw/zinc/62/52/35/337625235.db2.gz IFTKMJHLFQBWIU-SNVBAGLBSA-N -1 0 318.398 3.536 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2cccc(-c3cccs3)c2)CCC1 ZINC000263233984 337625763 /nfs/dbraw/zinc/62/57/63/337625763.db2.gz CIRDOLXZEGABFM-UHFFFAOYSA-N -1 0 315.394 3.999 20 0 DHADRM Cc1c2ccc(F)cc2sc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000263270174 337625987 /nfs/dbraw/zinc/62/59/87/337625987.db2.gz IADURMDLERSECP-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000263360180 337626889 /nfs/dbraw/zinc/62/68/89/337626889.db2.gz YEOICABOLUOHNE-SCLBCKFNSA-N -1 0 323.392 3.933 20 0 DHADRM C[C@]1(C(=O)[O-])CCN(c2nc(-c3ccccc3Cl)cs2)C1 ZINC000263402694 337627853 /nfs/dbraw/zinc/62/78/53/337627853.db2.gz JLRTXGBKZSVKFS-HNNXBMFYSA-N -1 0 322.817 3.765 20 0 DHADRM O=C([O-])C1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000263415792 337628426 /nfs/dbraw/zinc/62/84/26/337628426.db2.gz NEVAZSGOYBFKQG-UHFFFAOYSA-N -1 0 321.726 3.655 20 0 DHADRM Cc1cnn(-c2ccc(C)cc2NC2CCC(C(=O)[O-])CC2)c1 ZINC000263442535 337629204 /nfs/dbraw/zinc/62/92/04/337629204.db2.gz DWSDQHHPZZDMAH-UHFFFAOYSA-N -1 0 313.401 3.544 20 0 DHADRM CCCC1CCC(N(C)C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000263468809 337629870 /nfs/dbraw/zinc/62/98/70/337629870.db2.gz KTTQEECVJNSFDR-UHFFFAOYSA-N -1 0 324.465 3.630 20 0 DHADRM CCc1c(C)sc(NC(=O)c2cc(C)oc2C)c1C(=O)[O-] ZINC000263473270 337630017 /nfs/dbraw/zinc/63/00/17/337630017.db2.gz SHBRNXHFKMFENV-UHFFFAOYSA-N -1 0 307.371 3.779 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)NCCCC(=O)[O-])cc1 ZINC000263496620 337630589 /nfs/dbraw/zinc/63/05/89/337630589.db2.gz RANGYQFLZLNVCA-UHFFFAOYSA-N -1 0 310.419 3.564 20 0 DHADRM C[C@H](CCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263535339 337631348 /nfs/dbraw/zinc/63/13/48/337631348.db2.gz OHSKAKNUBSCXEC-SIXWZSSISA-N -1 0 317.429 3.720 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)sc1C(=O)[O-] ZINC000263531717 337631414 /nfs/dbraw/zinc/63/14/14/337631414.db2.gz MRWVAAWJNZDYHX-MNOVXSKESA-N -1 0 324.446 3.543 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263556944 337631621 /nfs/dbraw/zinc/63/16/21/337631621.db2.gz ZHDXSYUWTNIERN-CYBMUJFWSA-N -1 0 305.418 3.648 20 0 DHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263582982 337631790 /nfs/dbraw/zinc/63/17/90/337631790.db2.gz ZHMOWKICECAYGY-HXUWFJFHSA-N -1 0 323.392 3.622 20 0 DHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCCCC(=O)[O-])cc1 ZINC000263581689 337631799 /nfs/dbraw/zinc/63/17/99/337631799.db2.gz XMZCVJJJFTVIJZ-IRXDYDNUSA-N -1 0 317.429 3.735 20 0 DHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000514705875 337729464 /nfs/dbraw/zinc/72/94/64/337729464.db2.gz SBPXZYWVLTVJFK-CQSZACIVSA-N -1 0 312.369 3.675 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000159234582 338521823 /nfs/dbraw/zinc/52/18/23/338521823.db2.gz GQQRBFDQPNNGRG-UHFFFAOYSA-N -1 0 307.752 3.765 20 0 DHADRM CCSc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424389011 337830007 /nfs/dbraw/zinc/83/00/07/337830007.db2.gz ZYXTXWQPKREMSI-LBPRGKRZSA-N -1 0 324.446 3.667 20 0 DHADRM CCC1CCC(N(C(=O)NCCC(C)(C)C(=O)[O-])C2CC2)CC1 ZINC000424402400 337830385 /nfs/dbraw/zinc/83/03/85/337830385.db2.gz HBNTYNULRGDRPM-UHFFFAOYSA-N -1 0 324.465 3.630 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(C)c(C)c2)cs1 ZINC000537395014 337934851 /nfs/dbraw/zinc/93/48/51/337934851.db2.gz VUUZVTAICLLNNM-UHFFFAOYSA-N -1 0 310.444 3.579 20 0 DHADRM CC[C@@H](C)n1ncc(N=c2nc(C(C)C)[n-]s2)c1C1CC1 ZINC000537826864 337962841 /nfs/dbraw/zinc/96/28/41/337962841.db2.gz WYKDUJVAYUORNO-SNVBAGLBSA-N -1 0 305.451 3.872 20 0 DHADRM Cc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000516185006 338006184 /nfs/dbraw/zinc/00/61/84/338006184.db2.gz NQZTZOMLMDMFRG-UHFFFAOYSA-N -1 0 309.793 3.868 20 0 DHADRM COc1ccc2ccccc2c1CN=c1nc(C2CC2)[n-]s1 ZINC000426599137 338035572 /nfs/dbraw/zinc/03/55/72/338035572.db2.gz TVBXGMGOCQMJOX-UHFFFAOYSA-N -1 0 311.410 3.611 20 0 DHADRM O=C([O-])[C@H](NCc1ccsc1Cl)c1c(F)cccc1F ZINC000426744433 338040396 /nfs/dbraw/zinc/04/03/96/338040396.db2.gz QXBUPFAYBQOFLA-LLVKDONJSA-N -1 0 317.744 3.595 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2ccc(Cl)s2)C(=O)[O-])c1 ZINC000426744430 338040441 /nfs/dbraw/zinc/04/04/41/338040441.db2.gz QUNAWGZCAHCANM-CQSZACIVSA-N -1 0 309.818 3.934 20 0 DHADRM Cc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1C ZINC000430980229 338119942 /nfs/dbraw/zinc/11/99/42/338119942.db2.gz DMKHDCYTBCMUDU-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)s1 ZINC000431144250 338124008 /nfs/dbraw/zinc/12/40/08/338124008.db2.gz ASUJAIBCTKZCCA-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431464962 338131313 /nfs/dbraw/zinc/13/13/13/338131313.db2.gz OFCIRXFEIMMSEJ-APPDUMDISA-N -1 0 324.380 3.550 20 0 DHADRM Cc1ccc(NC(=O)c2cc(C)c3ccccc3n2)cc1C(=O)[O-] ZINC000431502772 338132659 /nfs/dbraw/zinc/13/26/59/338132659.db2.gz RNUIEUIDOSVQBL-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM Cc1cccnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000431533917 338133316 /nfs/dbraw/zinc/13/33/16/338133316.db2.gz VOSSYOWRLBHXFW-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1noc(C)c1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431551027 338133583 /nfs/dbraw/zinc/13/35/83/338133583.db2.gz SLIABZOCRCLXFY-XQRVVYSFSA-N -1 0 300.339 3.770 20 0 DHADRM Cc1ncsc1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431560885 338133889 /nfs/dbraw/zinc/13/38/89/338133889.db2.gz NNHHGHLERSKFIB-SNAWJCMRSA-N -1 0 302.380 3.930 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000431643952 338135361 /nfs/dbraw/zinc/13/53/61/338135361.db2.gz QGJUWXASNPKRHD-UHFFFAOYSA-N -1 0 317.344 3.889 20 0 DHADRM Cc1cc(Cl)c(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC000431795308 338138985 /nfs/dbraw/zinc/13/89/85/338138985.db2.gz PDJBLUUJXMXMQJ-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000431796896 338139024 /nfs/dbraw/zinc/13/90/24/338139024.db2.gz VOZKNSOLUUPTRZ-RBSFLKMASA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000431998981 338143403 /nfs/dbraw/zinc/14/34/03/338143403.db2.gz PGVHBWACAPYQCN-KBPBESRZSA-N -1 0 305.418 3.961 20 0 DHADRM Cc1cscc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000432097902 338145572 /nfs/dbraw/zinc/14/55/72/338145572.db2.gz XJFQKENCNUKHGJ-SNVBAGLBSA-N -1 0 321.423 3.874 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432102641 338145650 /nfs/dbraw/zinc/14/56/50/338145650.db2.gz LKJAEMOLVXXLMC-RDJZCZTQSA-N -1 0 319.445 3.651 20 0 DHADRM O=C([O-])CCC(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000432124467 338146366 /nfs/dbraw/zinc/14/63/66/338146366.db2.gz AZELLOXUIVXHCZ-UHFFFAOYSA-N -1 0 320.295 3.512 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432122434 338146369 /nfs/dbraw/zinc/14/63/69/338146369.db2.gz MJKIVXXXXISZEO-MRXNPFEDSA-N -1 0 319.445 3.795 20 0 DHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000432199101 338148342 /nfs/dbraw/zinc/14/83/42/338148342.db2.gz UQTPYVADRBXXMU-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM O=C([O-])c1cc(/C=C/c2cccc3nccn32)nc2ccccc21 ZINC000433761471 338200977 /nfs/dbraw/zinc/20/09/77/338200977.db2.gz BSDHCIJWHNYFKA-CMDGGOBGSA-N -1 0 315.332 3.751 20 0 DHADRM CCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)c1 ZINC000434336450 338214720 /nfs/dbraw/zinc/21/47/20/338214720.db2.gz YGILASXNJYAQLM-UHFFFAOYSA-N -1 0 323.352 3.823 20 0 DHADRM CC[C@H](C)c1ncc(NC(=O)Nc2ccc(O)c(Cl)c2)cn1 ZINC000434538346 338219696 /nfs/dbraw/zinc/21/96/96/338219696.db2.gz RFRRIVRSUQPMOG-VIFPVBQESA-N -1 0 320.780 3.993 20 0 DHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000435715137 338246009 /nfs/dbraw/zinc/24/60/09/338246009.db2.gz VFDDBWJFSCKSNX-BZUAXINKSA-N -1 0 317.429 3.714 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1C ZINC000435929653 338252970 /nfs/dbraw/zinc/25/29/70/338252970.db2.gz KKJCLIHQXFMRPP-UTLUCORTSA-N -1 0 315.335 3.612 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)s1 ZINC000436168982 338260358 /nfs/dbraw/zinc/26/03/58/338260358.db2.gz JXKUCCOUCQHGHX-UHFFFAOYSA-N -1 0 317.382 3.969 20 0 DHADRM O=C(NCC1CCC(F)(F)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436509288 338274508 /nfs/dbraw/zinc/27/45/08/338274508.db2.gz FFGBKUDSXPVNNB-UHFFFAOYSA-N -1 0 321.726 3.740 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2c([O-])cccc2F)C1 ZINC000436512309 338274613 /nfs/dbraw/zinc/27/46/13/338274613.db2.gz KEONOPMDLJDVPE-IAQYHMDHSA-N -1 0 317.335 3.894 20 0 DHADRM CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1 ZINC000436511173 338274662 /nfs/dbraw/zinc/27/46/62/338274662.db2.gz KLIYOZYMXSGDOG-HNNXBMFYSA-N -1 0 323.314 3.937 20 0 DHADRM Cc1cc(C)c(CNC(=O)c2cc(F)c([O-])c(F)c2)c(C)c1 ZINC000436528306 338275294 /nfs/dbraw/zinc/27/52/94/338275294.db2.gz GZOBNOMBKCNMRH-UHFFFAOYSA-N -1 0 305.324 3.526 20 0 DHADRM O=C(N[C@@H](c1cccs1)C1CC1)c1cc(F)c([O-])c(F)c1 ZINC000436535784 338275812 /nfs/dbraw/zinc/27/58/12/338275812.db2.gz OKSQUCZKRHDPCS-CYBMUJFWSA-N -1 0 309.337 3.613 20 0 DHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436539086 338276075 /nfs/dbraw/zinc/27/60/75/338276075.db2.gz XTDJQMAVSBHMET-UHFFFAOYSA-N -1 0 323.314 3.860 20 0 DHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000436549292 338276448 /nfs/dbraw/zinc/27/64/48/338276448.db2.gz VSHNWDOSQXBHCV-LJQANCHMSA-N -1 0 313.372 3.725 20 0 DHADRM CCc1ccc(O)c(C(=O)N[C@@H](CC)c2nc(C)cs2)c1 ZINC000436568897 338277414 /nfs/dbraw/zinc/27/74/14/338277414.db2.gz XEQLOZALNSNGOX-ZDUSSCGKSA-N -1 0 304.415 3.601 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C)c(C)c1O)c1nc(C)cs1 ZINC000436568140 338277502 /nfs/dbraw/zinc/27/75/02/338277502.db2.gz QVCWSBHHUOTVOA-ZDUSSCGKSA-N -1 0 304.415 3.655 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)c1ccc(O)cc1 ZINC000436605327 338279569 /nfs/dbraw/zinc/27/95/69/338279569.db2.gz KHLMOTGVRRKVKF-GFCCVEGCSA-N -1 0 323.348 3.507 20 0 DHADRM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2c(cc1O)CCCC2 ZINC000436604967 338279604 /nfs/dbraw/zinc/27/96/04/338279604.db2.gz OUZQKEXMGXOGFI-CYBMUJFWSA-N -1 0 309.356 3.579 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(CC)cc2)c1 ZINC000436644904 338281163 /nfs/dbraw/zinc/28/11/63/338281163.db2.gz BUMPXXYNCUDOIT-UHFFFAOYSA-N -1 0 311.381 3.729 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)s2)c1 ZINC000436652616 338281630 /nfs/dbraw/zinc/28/16/30/338281630.db2.gz OVYXUUFJYLHUDX-UHFFFAOYSA-N -1 0 309.774 3.952 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc3ccccc32)c1 ZINC000436655254 338281767 /nfs/dbraw/zinc/28/17/67/338281767.db2.gz ZUDRKOQLYKWJQH-UHFFFAOYSA-N -1 0 320.348 3.785 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000436679037 338282449 /nfs/dbraw/zinc/28/24/49/338282449.db2.gz JBMMBDZKYNPNNA-UHFFFAOYSA-N -1 0 322.364 3.647 20 0 DHADRM Cc1cc2cc(CNC(=O)c3ccc([O-])c(Cl)c3)ccc2[nH]1 ZINC000436711310 338283714 /nfs/dbraw/zinc/28/37/14/338283714.db2.gz GODXNDCUHHABRY-UHFFFAOYSA-N -1 0 314.772 3.765 20 0 DHADRM O=C(NCc1ccccc1F)c1c([O-])cc(Cl)cc1Cl ZINC000436755210 338285534 /nfs/dbraw/zinc/28/55/34/338285534.db2.gz MUPCEDJTVFVTGE-UHFFFAOYSA-N -1 0 314.143 3.768 20 0 DHADRM C[C@@H]1C[C@H](C)CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436758348 338285889 /nfs/dbraw/zinc/28/58/89/338285889.db2.gz YLCWYDFCAFHKJP-DTORHVGOSA-N -1 0 302.201 3.817 20 0 DHADRM 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ZINC000266729136 521604090 /nfs/dbraw/zinc/60/40/90/521604090.db2.gz JALQYOIBUGYMOM-UHFFFAOYSA-N -1 0 320.614 3.680 20 0 DHADRM CCSCC[C@H](C)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000157365072 521714781 /nfs/dbraw/zinc/71/47/81/521714781.db2.gz PHEBFIFNMSZVDF-VIFPVBQESA-N -1 0 319.829 3.788 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000339353357 521849285 /nfs/dbraw/zinc/84/92/85/521849285.db2.gz UXYSNVROLIVGHI-OGHNNQOOSA-N -1 0 313.397 3.559 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@@H]2C(C)(C)CC)cc1C(=O)[O-] ZINC000339089254 522976252 /nfs/dbraw/zinc/97/62/52/522976252.db2.gz ZERFHWXPZRDGDG-CQSZACIVSA-N -1 0 307.390 3.581 20 0 DHADRM Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1Cl ZINC000246821553 524188607 /nfs/dbraw/zinc/18/86/07/524188607.db2.gz QASFQNWIJYRSDL-XBFCOCLRSA-N -1 0 321.804 3.506 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000237704147 524268579 /nfs/dbraw/zinc/26/85/79/524268579.db2.gz XTGSJLPJJZJZRE-SWLSCSKDSA-N -1 0 313.353 3.591 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237493128 524437623 /nfs/dbraw/zinc/43/76/23/524437623.db2.gz ZEAWSLRGZXUKRS-ZDUSSCGKSA-N -1 0 303.402 3.859 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H](c2ccco2)C1 ZINC000237531176 524485951 /nfs/dbraw/zinc/48/59/51/524485951.db2.gz ITIRVQRFFYRNBM-MNOVXSKESA-N -1 0 319.382 3.653 20 0 DHADRM Cc1ccccc1C1(C(=O)NCCCCC(=O)[O-])CCCCC1 ZINC000237687164 525076832 /nfs/dbraw/zinc/07/68/32/525076832.db2.gz VJJMUZJWOXEAAH-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000263196147 525368087 /nfs/dbraw/zinc/36/80/87/525368087.db2.gz UGARNVWELIAYNV-ZDUSSCGKSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245720009 525379159 /nfs/dbraw/zinc/37/91/59/525379159.db2.gz OONLXOUIOKBSAQ-UXLLHSPISA-N -1 0 315.413 3.550 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(C)o1 ZINC000188560126 525422985 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C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000263176287 526099287 /nfs/dbraw/zinc/09/92/87/526099287.db2.gz WQCZFWCMUSMNLG-SJCJKPOMSA-N -1 0 311.381 3.518 20 0 DHADRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccco3)ccc2o1 ZINC000275763094 534905817 /nfs/dbraw/zinc/90/58/17/534905817.db2.gz VCAWOWAAQHOKAU-UHFFFAOYSA-N -1 0 320.370 3.519 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@H](c2ccccc2)C2CCC2)C1 ZINC000180121000 526325291 /nfs/dbraw/zinc/32/52/91/526325291.db2.gz SSTMWFDSLKPBGQ-IXDOHACOSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000237978334 526362291 /nfs/dbraw/zinc/36/22/91/526362291.db2.gz GCTBWFHAAMRGSD-GFCCVEGCSA-N -1 0 319.357 3.563 20 0 DHADRM O=C([O-])c1ccc(OC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000045949382 526380314 /nfs/dbraw/zinc/38/03/14/526380314.db2.gz DESDZZRXRPAIMF-UHFFFAOYSA-N -1 0 323.348 3.794 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000238205018 526387442 /nfs/dbraw/zinc/38/74/42/526387442.db2.gz MCAATSZJNNJTTE-MRXNPFEDSA-N -1 0 323.392 3.795 20 0 DHADRM Cc1oc(-c2ccccc2)c(C(=O)NCCCCC(=O)[O-])c1C ZINC000263074555 526735539 /nfs/dbraw/zinc/73/55/39/526735539.db2.gz GJHVWGLZLRVEJZ-UHFFFAOYSA-N -1 0 315.369 3.548 20 0 DHADRM Cc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2s1 ZINC000013256572 527147316 /nfs/dbraw/zinc/14/73/16/527147316.db2.gz XQCSVQZPXWGCBN-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccco1 ZINC000337128608 527245274 /nfs/dbraw/zinc/24/52/74/527245274.db2.gz ATWCXVQQFCNJLI-UHFFFAOYSA-N -1 0 310.133 3.526 20 0 DHADRM O=C([O-])CCCCCCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000238116815 527578166 /nfs/dbraw/zinc/57/81/66/527578166.db2.gz VFQUMQLEDGZJTK-INIZCTEOSA-N -1 0 317.429 3.648 20 0 DHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CCO1 ZINC000287127922 535450016 /nfs/dbraw/zinc/45/00/16/535450016.db2.gz ZDDSYXNUVPNFDC-VHSXEESVSA-N -1 0 315.772 3.719 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000261600947 563744999 /nfs/dbraw/zinc/74/49/99/563744999.db2.gz BLZSPPVJKJFNPH-GOSISDBHSA-N -1 0 317.385 3.503 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262645504 599733381 /nfs/dbraw/zinc/73/33/81/599733381.db2.gz QVCOZZUPASYKJX-DOMZBBRYSA-N -1 0 309.381 3.530 20 0 DHADRM CCCCC[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000316417198 599826778 /nfs/dbraw/zinc/82/67/78/599826778.db2.gz BRFDUPFEUXLUIO-CYBMUJFWSA-N -1 0 306.406 3.794 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000315650747 596975230 /nfs/dbraw/zinc/97/52/30/596975230.db2.gz SBLYUTYDRGQMAB-UHFFFAOYSA-N -1 0 304.390 3.503 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CCC(=O)[O-] ZINC000263498770 596983392 /nfs/dbraw/zinc/98/33/92/596983392.db2.gz SCPBHYJLOUZBHH-UHFFFAOYSA-N -1 0 306.406 3.872 20 0 DHADRM C[C@@H](SCc1ccc(C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000739053355 597070165 /nfs/dbraw/zinc/07/01/65/597070165.db2.gz CLYBKYSLEQHPOZ-GFCCVEGCSA-N -1 0 315.394 3.645 20 0 DHADRM Cc1cc(C)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000244308551 597165483 /nfs/dbraw/zinc/16/54/83/597165483.db2.gz XBZBWBCEEVLDMH-UHFFFAOYSA-N -1 0 312.369 3.632 20 0 DHADRM C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071406 597281647 /nfs/dbraw/zinc/28/16/47/597281647.db2.gz PRHMVGKAICXHMK-MQJDWESPSA-N -1 0 306.358 3.534 20 0 DHADRM C[C@H](c1ccc(F)c(F)c1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071264 597285891 /nfs/dbraw/zinc/28/58/91/597285891.db2.gz MFCOYSPUQXZEJS-ZQJOYCHOSA-N -1 0 324.348 3.673 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000320432623 597340856 /nfs/dbraw/zinc/34/08/56/597340856.db2.gz JNSQPVCHWRLBSL-UHFFFAOYSA-N -1 0 316.401 3.502 20 0 DHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261947935 598046843 /nfs/dbraw/zinc/04/68/43/598046843.db2.gz OYESTMZCUNQCNP-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM O=C([O-])CCCCNC(=O)c1sccc1-c1ccc(F)cc1 ZINC000767129869 598168159 /nfs/dbraw/zinc/16/81/59/598168159.db2.gz KWOYCSVNVKECBT-UHFFFAOYSA-N -1 0 321.373 3.539 20 0 DHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000314596599 598177796 /nfs/dbraw/zinc/17/77/96/598177796.db2.gz CFQVYRZHVGPEKD-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM C[C@@H](CC(=O)[O-])Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000820088845 598218024 /nfs/dbraw/zinc/21/80/24/598218024.db2.gz HQHVTPRLHCRCTE-NSHDSACASA-N -1 0 322.380 3.620 20 0 DHADRM C[C@H](CC(=O)[O-])Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000820088553 598218276 /nfs/dbraw/zinc/21/82/76/598218276.db2.gz BTIKXEFPHOBIMZ-GFCCVEGCSA-N -1 0 316.426 3.586 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000738230186 600587074 /nfs/dbraw/zinc/58/70/74/600587074.db2.gz PWCPGFISGWYPJC-UWVGGRQHSA-N -1 0 315.822 3.572 20 0 DHADRM C[C@@H](CCO)S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827417482 600840861 /nfs/dbraw/zinc/84/08/61/600840861.db2.gz KCZDQVXRHAFPQN-CPCISQLKSA-N -1 0 309.214 3.623 20 0 DHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 ZINC000573809352 599709250 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ZINC000051173391 600695338 /nfs/dbraw/zinc/69/53/38/600695338.db2.gz INBNGGPLXATLJT-UHFFFAOYSA-N -1 0 306.730 3.817 20 0 DHADRM CC(C)c1nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cs1 ZINC000827144611 600696290 /nfs/dbraw/zinc/69/62/90/600696290.db2.gz PMGGBNFEZPETER-UHFFFAOYSA-N -1 0 315.354 3.682 20 0 DHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000833169272 600696638 /nfs/dbraw/zinc/69/66/38/600696638.db2.gz JGSPXCNLQKHKQU-OWCLPIDISA-N -1 0 320.360 3.711 20 0 DHADRM CCc1ccc(OCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830259995 600698769 /nfs/dbraw/zinc/69/87/69/600698769.db2.gz NFKOPEXLQSYJGD-UHFFFAOYSA-N -1 0 324.336 3.576 20 0 DHADRM C[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000827940837 600701360 /nfs/dbraw/zinc/70/13/60/600701360.db2.gz IXDMJNXAVOEFQG-SNVBAGLBSA-N -1 0 312.300 3.726 20 0 DHADRM O=C(/C=C\C1CC1)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833093520 600719783 /nfs/dbraw/zinc/71/97/83/600719783.db2.gz ZFBVAOMHKLXRGA-FPLPWBNLSA-N -1 0 302.351 3.609 20 0 DHADRM C/C(=C\CSc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000825793469 600726528 /nfs/dbraw/zinc/72/65/28/600726528.db2.gz SOPFCJFNXUXOEZ-VMPITWQZSA-N -1 0 310.762 3.513 20 0 DHADRM Cc1cc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)c(C)s1 ZINC000832885241 600728243 /nfs/dbraw/zinc/72/82/43/600728243.db2.gz MITLIMGEKANEEE-UHFFFAOYSA-N -1 0 321.354 3.517 20 0 DHADRM C/C(=C/CSc1nnc(CCC2CCCCC2)o1)C(=O)[O-] ZINC000825793721 600728502 /nfs/dbraw/zinc/72/85/02/600728502.db2.gz YPYYQRVBTKGKQL-LUAWRHEFSA-N -1 0 310.419 3.706 20 0 DHADRM CC[C@@H](c1nnc(SC/C=C(/C)C(=O)[O-])o1)c1ccccc1 ZINC000829033357 600728747 /nfs/dbraw/zinc/72/87/47/600728747.db2.gz LTONBIDHFHIOCG-PRWOLLLXSA-N -1 0 318.398 3.735 20 0 DHADRM CC[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccccc1 ZINC000829005162 600730122 /nfs/dbraw/zinc/73/01/22/600730122.db2.gz WHUWAMRQQQIIHA-HNNXBMFYSA-N -1 0 315.325 3.790 20 0 DHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H](C)CC[C@H]3C)c12 ZINC000833001838 600731569 /nfs/dbraw/zinc/73/15/69/600731569.db2.gz 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CC(C)OC(=O)CSCc1c2ccccc2sc1C(=O)[O-] ZINC000736484256 600818811 /nfs/dbraw/zinc/81/88/11/600818811.db2.gz YOEKSOOCHLJMLY-UHFFFAOYSA-N -1 0 324.423 3.784 20 0 DHADRM O=C([O-])CCCSc1nnc(-c2cccc3ccccc32)o1 ZINC000738586574 600819395 /nfs/dbraw/zinc/81/93/95/600819395.db2.gz XJSGHCGNKCQTMD-UHFFFAOYSA-N -1 0 314.366 3.847 20 0 DHADRM CN(Cc1ccoc1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830865746 600821024 /nfs/dbraw/zinc/82/10/24/600821024.db2.gz WFIFCLZWXBJQAE-CYBMUJFWSA-N -1 0 314.168 3.844 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737859038 600824810 /nfs/dbraw/zinc/82/48/10/600824810.db2.gz UDKRGMOXBBULAI-ZIAGYGMSSA-N -1 0 318.369 3.515 20 0 DHADRM Cc1ccccc1-c1cnc(CNc2ccc(C(=O)[O-])cc2)o1 ZINC000832973831 600826371 /nfs/dbraw/zinc/82/63/71/600826371.db2.gz DPBSCAZLANPAFH-UHFFFAOYSA-N -1 0 308.337 3.960 20 0 DHADRM Cc1oc(COC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000738984539 600827042 /nfs/dbraw/zinc/82/70/42/600827042.db2.gz VUICDZMGICUWFY-GJZGRUSLSA-N -1 0 306.358 3.546 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cccc1C(=O)[O-] ZINC000675966607 600830525 /nfs/dbraw/zinc/83/05/25/600830525.db2.gz SEQDXBWPTOFOJT-GJZGRUSLSA-N -1 0 301.386 3.848 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000362537322 600836467 /nfs/dbraw/zinc/83/64/67/600836467.db2.gz HSBNFXINPCKUNV-VYDXJSESSA-N -1 0 317.429 3.562 20 0 DHADRM CCCC[C@@H](Sc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC000829296612 600838761 /nfs/dbraw/zinc/83/87/61/600838761.db2.gz WAGKZALHZMIECK-LLVKDONJSA-N -1 0 308.428 3.941 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000399724183 600839721 /nfs/dbraw/zinc/83/97/21/600839721.db2.gz IQYZFJPYVHNYPW-MWLCHTKSSA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000740066651 600840694 /nfs/dbraw/zinc/84/06/94/600840694.db2.gz XIZLUHUEMRDZFO-NWDGAFQWSA-N -1 0 305.349 3.679 20 0 DHADRM CC/C(=C\C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000736835485 600840964 /nfs/dbraw/zinc/84/09/64/600840964.db2.gz NHPZFKDOLPPOEP-WYMLVPIESA-N -1 0 315.413 3.548 20 0 DHADRM O=C([O-])[C@@H](Sc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000833171463 600842548 /nfs/dbraw/zinc/84/25/48/600842548.db2.gz YPLNBBKVLBYLOH-VIFPVBQESA-N -1 0 303.170 3.635 20 0 DHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000826841050 600842639 /nfs/dbraw/zinc/84/26/39/600842639.db2.gz UJYDMTPHJRVAJN-NSHDSACASA-N -1 0 323.368 3.816 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829075770 600843002 /nfs/dbraw/zinc/84/30/02/600843002.db2.gz WWAFYSKHGZOFLC-MWLCHTKSSA-N -1 0 309.341 3.568 20 0 DHADRM C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CCc2ccccc2C1 ZINC000827976645 600848451 /nfs/dbraw/zinc/84/84/51/600848451.db2.gz VZJUDKOUEBBMAH-IBGZPJMESA-N -1 0 309.365 3.519 20 0 DHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000537403468 600848459 /nfs/dbraw/zinc/84/84/59/600848459.db2.gz NTJPMLVHKGYVKH-WQVCFCJDSA-N -1 0 319.401 3.697 20 0 DHADRM CC[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000325337200 600856525 /nfs/dbraw/zinc/85/65/25/600856525.db2.gz JBJYIYLTUPNSSD-JKSUJKDBSA-N -1 0 323.392 3.785 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000736711959 600865591 /nfs/dbraw/zinc/86/55/91/600865591.db2.gz IMDGITRRXBKHDO-UPJWGTAASA-N -1 0 321.442 3.512 20 0 DHADRM C/C(=C\C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])C(C)(C)C ZINC000766898692 600871559 /nfs/dbraw/zinc/87/15/59/600871559.db2.gz FOTKCESZQIMJST-AYYGCFCKSA-N -1 0 317.429 3.728 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)C1CCC(c2ccccc2)CC1 ZINC000236724768 600884702 /nfs/dbraw/zinc/88/47/02/600884702.db2.gz NOHMYVCATDAQNG-UHFFFAOYSA-N -1 0 317.429 3.672 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829304226 600887846 /nfs/dbraw/zinc/88/78/46/600887846.db2.gz AKYAZQCQTUCGNG-CYBMUJFWSA-N -1 0 306.406 3.999 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC000832922977 600890418 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ZSDPEQIAGAKNCU-SNVBAGLBSA-N -1 0 319.382 3.587 20 0 DHADRM CCCCCC(C)(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000829305160 601801224 /nfs/dbraw/zinc/80/12/24/601801224.db2.gz TYGWVFBVWYDEKV-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM Cc1cc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000832893642 601803353 /nfs/dbraw/zinc/80/33/53/601803353.db2.gz VUMJOTHKDGDMSW-GFCCVEGCSA-N -1 0 322.364 3.917 20 0 DHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC000825989885 601803596 /nfs/dbraw/zinc/80/35/96/601803596.db2.gz IARQLFHDTVBKEB-LRDDRELGSA-N -1 0 313.397 3.559 20 0 DHADRM CC(C)c1ocnc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000737655383 601809753 /nfs/dbraw/zinc/80/97/53/601809753.db2.gz GWJUWNAKOSZPPL-UHFFFAOYSA-N -1 0 320.370 3.687 20 0 DHADRM C[C@@H](C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccco1 ZINC000737568546 601809762 /nfs/dbraw/zinc/80/97/62/601809762.db2.gz GDJDCGSJJTVNMY-MRVPVSSYSA-N -1 0 305.355 3.659 20 0 DHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc2ccccc2c1 ZINC000826008489 601812193 /nfs/dbraw/zinc/81/21/93/601812193.db2.gz JKEAXGQSYGJUOY-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1cc2cccc(Cl)c2o1)C(=O)[O-] ZINC000818325593 601812237 /nfs/dbraw/zinc/81/22/37/601812237.db2.gz AKZOSYQHVBGGBR-LLVKDONJSA-N -1 0 323.776 3.563 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1cc2cccc(Cl)c2o1)C(=O)[O-] ZINC000818325594 601812360 /nfs/dbraw/zinc/81/23/60/601812360.db2.gz AKZOSYQHVBGGBR-NSHDSACASA-N -1 0 323.776 3.563 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000829254220 601826860 /nfs/dbraw/zinc/82/68/60/601826860.db2.gz ARNPETSNMRPAEY-JKSUJKDBSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659397251 601826915 /nfs/dbraw/zinc/82/69/15/601826915.db2.gz XEGDXYVWXSNUFE-CVEARBPZSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1ccc(NCc2nccn2Cc2ccccc2)cc1C(=O)[O-] ZINC000832951528 601832502 /nfs/dbraw/zinc/83/25/02/601832502.db2.gz GQKXHIPSDCXKQH-UHFFFAOYSA-N -1 0 321.380 3.550 20 0 DHADRM Cn1c(SCc2ccc(C(=O)[O-])s2)nc2ccccc21 ZINC000833039594 601845353 /nfs/dbraw/zinc/84/53/53/601845353.db2.gz NHAZRZBNSYTONR-UHFFFAOYSA-N -1 0 304.396 3.625 20 0 DHADRM O=C([O-])c1ccc(CSCc2nc3ccccc3[nH]2)s1 ZINC000833316622 601846593 /nfs/dbraw/zinc/84/65/93/601846593.db2.gz HWNFEXANJUWBNP-UHFFFAOYSA-N -1 0 304.396 3.756 20 0 DHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000833264764 601874727 /nfs/dbraw/zinc/87/47/27/601874727.db2.gz YAIJZAZJCFSKJY-UHFFFAOYSA-N -1 0 322.769 3.736 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(SCC(=O)[O-])cc2)C1 ZINC000828233765 601878046 /nfs/dbraw/zinc/87/80/46/601878046.db2.gz RVRDMLAMGDWRKG-VXGBXAGGSA-N -1 0 308.399 3.595 20 0 DHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000739532424 601884301 /nfs/dbraw/zinc/88/43/01/601884301.db2.gz KMQXJQGOVVNQMH-AWEZNQCLSA-N -1 0 306.406 3.918 20 0 DHADRM Cc1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000832971458 601885896 /nfs/dbraw/zinc/88/58/96/601885896.db2.gz ZNGXPJMPSOMYFI-GJZGRUSLSA-N -1 0 304.390 3.540 20 0 DHADRM CC1(CNC(=O)Nc2cccc(NC(=O)[O-])c2)CCCCC1 ZINC000828102690 601891486 /nfs/dbraw/zinc/89/14/86/601891486.db2.gz UOEOAZZVPJRFSU-UHFFFAOYSA-N -1 0 305.378 3.868 20 0 DHADRM Cc1nc(C(=O)[O-])cn1CCCc1ccc(C(F)(F)F)cc1 ZINC000832996549 601898250 /nfs/dbraw/zinc/89/82/50/601898250.db2.gz WDMIHIFIIHLBMK-UHFFFAOYSA-N -1 0 312.291 3.541 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000833351486 601934039 /nfs/dbraw/zinc/93/40/39/601934039.db2.gz RFWNDVNWQIBXEO-LLVKDONJSA-N -1 0 315.108 3.569 20 0 DHADRM CN(Cc1ccc(NC(=O)C(F)=C2CCCC2)cc1)C(=O)[O-] ZINC000830831428 601942375 /nfs/dbraw/zinc/94/23/75/601942375.db2.gz XSTHXFZXJHWMIH-UHFFFAOYSA-N -1 0 306.337 3.533 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(F)=C2CCCC2)cc1 ZINC000826114224 601942547 /nfs/dbraw/zinc/94/25/47/601942547.db2.gz NITJAGNMYQPUQY-UHFFFAOYSA-N -1 0 305.349 3.785 20 0 DHADRM O=C([O-])Nc1ccc(NC(=S)Nc2ccc(Cl)cc2)cn1 ZINC000740713444 601978749 /nfs/dbraw/zinc/97/87/49/601978749.db2.gz YFSMABPZIYHUAO-UHFFFAOYSA-N -1 0 322.777 3.634 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000087844832 601982627 /nfs/dbraw/zinc/98/26/27/601982627.db2.gz OOHOMGTTYRTDSC-UHFFFAOYSA-N -1 0 304.733 3.611 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000826860928 601992832 /nfs/dbraw/zinc/99/28/32/601992832.db2.gz JYZJZKVRPZSVPN-GOSISDBHSA-N -1 0 318.417 3.604 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000739286380 601997589 /nfs/dbraw/zinc/99/75/89/601997589.db2.gz ZSKFWTPWARZEMG-CQSZACIVSA-N -1 0 313.357 3.694 20 0 DHADRM CCOCCC1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCC1 ZINC000237037796 601998585 /nfs/dbraw/zinc/99/85/85/601998585.db2.gz NGVQMZHEGJMZCK-UHFFFAOYSA-N -1 0 319.401 3.619 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000833314986 601999226 /nfs/dbraw/zinc/99/92/26/601999226.db2.gz OCEWBHWLSZSTKC-UHFFFAOYSA-N -1 0 320.410 3.706 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccccc3)CCC2)s1 ZINC000833315682 602000781 /nfs/dbraw/zinc/00/07/81/602000781.db2.gz VLAWXPVKUWUIGU-UHFFFAOYSA-N -1 0 316.378 3.611 20 0 DHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000237656764 602003275 /nfs/dbraw/zinc/00/32/75/602003275.db2.gz ICQIWJJVSQHGKA-IBGZPJMESA-N -1 0 315.413 3.671 20 0 DHADRM C/C(=C/C(=O)OCc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC000825724057 602009077 /nfs/dbraw/zinc/00/90/77/602009077.db2.gz HVZDWAPVKUVWLA-YFHOEESVSA-N -1 0 320.341 3.732 20 0 DHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC000827391890 602009177 /nfs/dbraw/zinc/00/91/77/602009177.db2.gz NKANRYVESNHIFX-JTQLQIEISA-N -1 0 322.357 3.822 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C[C@@H]2CCc3ccccc32)s1 ZINC000833098190 602009977 /nfs/dbraw/zinc/00/99/77/602009977.db2.gz YLHNUHWANUKRKL-LBPRGKRZSA-N -1 0 316.378 3.610 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000315825254 602024387 /nfs/dbraw/zinc/02/43/87/602024387.db2.gz XYLIJRDHXOAFCA-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000830149615 602031552 /nfs/dbraw/zinc/03/15/52/602031552.db2.gz IXYRNXQNNBOVEE-ZIAGYGMSSA-N -1 0 322.430 3.523 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)/C=C\SCc1ccco1 ZINC000833093191 602052127 /nfs/dbraw/zinc/05/21/27/602052127.db2.gz VFMKQEVDQIKGON-ALCCZGGFSA-N -1 0 321.329 3.503 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000676211251 602070053 /nfs/dbraw/zinc/07/00/53/602070053.db2.gz LXRVGLFMSBITTQ-UHFFFAOYSA-N -1 0 317.772 3.538 20 0 DHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)cc1 ZINC000832952074 602070716 /nfs/dbraw/zinc/07/07/16/602070716.db2.gz RWADUPYNKMRYID-CYBMUJFWSA-N -1 0 313.353 3.837 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000087844477 602071199 /nfs/dbraw/zinc/07/11/99/602071199.db2.gz IWFLXOJPIBTKAO-FNORWQNLSA-N -1 0 321.785 3.681 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000827240257 602087947 /nfs/dbraw/zinc/08/79/47/602087947.db2.gz ISCUHQMGBNCBGB-BDAKNGLRSA-N -1 0 318.200 3.624 20 0 DHADRM O=C([O-])[C@@H](OC(=O)C1=CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833347614 602091309 /nfs/dbraw/zinc/09/13/09/602091309.db2.gz AZHXRGLFMFRTRI-LBPRGKRZSA-N -1 0 315.152 3.773 20 0 DHADRM O=C([O-])[C@H](OC(=O)C1=CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833347609 602091352 /nfs/dbraw/zinc/09/13/52/602091352.db2.gz AZHXRGLFMFRTRI-GFCCVEGCSA-N -1 0 315.152 3.773 20 0 DHADRM Cc1cccc(NC(=O)NCCCCCCCC(=O)[O-])c1C ZINC000403136280 602094920 /nfs/dbraw/zinc/09/49/20/602094920.db2.gz CCZGSYCQPQDGJO-UHFFFAOYSA-N -1 0 306.406 3.850 20 0 DHADRM Cc1cc(C)cc(NC(=O)NCCCCCCCC(=O)[O-])c1 ZINC000403234800 602095965 /nfs/dbraw/zinc/09/59/65/602095965.db2.gz YBJIBRRLQUJZDM-UHFFFAOYSA-N -1 0 306.406 3.850 20 0 DHADRM Cc1ccc(F)cc1NC(=O)NCCCCCCCC(=O)[O-] ZINC000403182552 602096118 /nfs/dbraw/zinc/09/61/18/602096118.db2.gz ZAOUCFOEZGNYSH-UHFFFAOYSA-N -1 0 310.369 3.681 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000829043620 602096471 /nfs/dbraw/zinc/09/64/71/602096471.db2.gz CIEYCZKUVAFFIT-QGZVFWFLSA-N -1 0 312.454 3.633 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000827274339 602097415 /nfs/dbraw/zinc/09/74/15/602097415.db2.gz XEZGSKAXEOEOTF-DYVFJYSZSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827872939 602101254 /nfs/dbraw/zinc/10/12/54/602101254.db2.gz BFVGZEATLCSDJA-JTQLQIEISA-N -1 0 311.403 3.513 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000738661406 602102163 /nfs/dbraw/zinc/10/21/63/602102163.db2.gz LEQDBCSOQABHAO-UHFFFAOYSA-N -1 0 316.401 3.961 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000827246594 602108210 /nfs/dbraw/zinc/10/82/10/602108210.db2.gz BKJYGZHORLURMG-QWRGUYRKSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC000131569843 602109707 /nfs/dbraw/zinc/10/97/07/602109707.db2.gz ZZNUPTHSJMSCLT-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM COc1cc(NC(=O)C2CCCCCC2)ccc1NC(=O)[O-] ZINC000739864437 602111825 /nfs/dbraw/zinc/11/18/25/602111825.db2.gz DAVCTPJSWQLUQE-UHFFFAOYSA-N -1 0 306.362 3.694 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1sccc1C(=O)[O-] ZINC000827873911 602120197 /nfs/dbraw/zinc/12/01/97/602120197.db2.gz SPFIGVVOVLFJKA-JTQLQIEISA-N -1 0 311.403 3.513 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827874181 602121792 /nfs/dbraw/zinc/12/17/92/602121792.db2.gz VLJWJFYOTNWRCH-LBPRGKRZSA-N -1 0 320.389 3.843 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000827318011 602126051 /nfs/dbraw/zinc/12/60/51/602126051.db2.gz RJPUNLAUGSJJPR-ZDUSSCGKSA-N -1 0 319.401 3.585 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000827248175 602147590 /nfs/dbraw/zinc/14/75/90/602147590.db2.gz VJNQMRMTFSMNMU-CYBMUJFWSA-N -1 0 321.392 3.598 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1F ZINC000322704595 602153738 /nfs/dbraw/zinc/15/37/38/602153738.db2.gz MPYQHLUZAQKXJW-UHFFFAOYSA-N 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Cc1nc(CN(CC(=O)[O-])C(C)C)oc1-c1ccc(Cl)cc1 ZINC000263570670 602234623 /nfs/dbraw/zinc/23/46/23/602234623.db2.gz ILJARNBMZRQSAQ-UHFFFAOYSA-N -1 0 322.792 3.598 20 0 DHADRM C/C(=C/C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738505431 602237127 /nfs/dbraw/zinc/23/71/27/602237127.db2.gz RIRWGVUSIJVPST-QBFSEMIESA-N -1 0 322.364 3.769 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(C)c1 ZINC000740107334 602241687 /nfs/dbraw/zinc/24/16/87/602241687.db2.gz MELJJBINBAGAMN-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM CC(C)n1nccc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000827207239 602246809 /nfs/dbraw/zinc/24/68/09/602246809.db2.gz NYJWYRWOIPZBIA-UHFFFAOYSA-N -1 0 323.352 3.568 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000318868300 602248531 /nfs/dbraw/zinc/24/85/31/602248531.db2.gz MBMQKHXELNQKQK-UHFFFAOYSA-N -1 0 315.756 3.503 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827873696 602264685 /nfs/dbraw/zinc/26/46/85/602264685.db2.gz 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O=C([O-])CN(Cc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000314746747 602331923 /nfs/dbraw/zinc/33/19/23/602331923.db2.gz SOOGHPMZEGMGOI-UHFFFAOYSA-N -1 0 316.426 3.639 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740184845 602337954 /nfs/dbraw/zinc/33/79/54/602337954.db2.gz RCOFCTAFYNQPAG-UHFFFAOYSA-N -1 0 324.380 3.607 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000829356772 602339288 /nfs/dbraw/zinc/33/92/88/602339288.db2.gz KFXILKUQXNIMSN-LLVKDONJSA-N -1 0 312.435 3.801 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000826832358 602352277 /nfs/dbraw/zinc/35/22/77/602352277.db2.gz QMEYQGVTULLRAK-LBPRGKRZSA-N -1 0 322.380 3.814 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826832679 602368418 /nfs/dbraw/zinc/36/84/18/602368418.db2.gz UQIWFXOJIKUAOR-CQSZACIVSA-N -1 0 321.421 3.546 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738677520 602380374 /nfs/dbraw/zinc/38/03/74/602380374.db2.gz 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/nfs/dbraw/zinc/41/12/58/602411258.db2.gz XPGCYZJMLRMHML-LBPRGKRZSA-N -1 0 307.325 3.539 20 0 DHADRM CN(Cc1nc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)[O-] ZINC000737497243 602415491 /nfs/dbraw/zinc/41/54/91/602415491.db2.gz VXKYAFOSQZXPRZ-UHFFFAOYSA-N -1 0 309.325 3.513 20 0 DHADRM O=C([O-])NCc1cccc(OCc2cccc(OC(F)F)c2)c1 ZINC000740681611 602426673 /nfs/dbraw/zinc/42/66/73/602426673.db2.gz PWILLXCDIAPZKI-UHFFFAOYSA-N -1 0 323.295 3.635 20 0 DHADRM O=C([O-])N[C@H](CCC(=O)NC1CCCCCC1)c1ccccc1 ZINC000740540583 602454582 /nfs/dbraw/zinc/45/45/82/602454582.db2.gz VMJVFHANESGTCU-MRXNPFEDSA-N -1 0 318.417 3.615 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C(C)C ZINC000739248455 602470911 /nfs/dbraw/zinc/47/09/11/602470911.db2.gz GUMKUUOGSZQMPX-LBPRGKRZSA-N -1 0 304.390 3.738 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000740173159 602481382 /nfs/dbraw/zinc/48/13/82/602481382.db2.gz RTQZWMPNEKZSDO-UHFFFAOYSA-N -1 0 302.305 3.785 20 0 DHADRM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740185955 602482017 /nfs/dbraw/zinc/48/20/17/602482017.db2.gz WWLWGECBSCCJGZ-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738683887 602483228 /nfs/dbraw/zinc/48/32/28/602483228.db2.gz XUXNIHNJGVTSJF-UHFFFAOYSA-N -1 0 310.369 3.860 20 0 DHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739100663 602483977 /nfs/dbraw/zinc/48/39/77/602483977.db2.gz RTYXQBHJGYKTJP-IINYFYTJSA-N -1 0 308.353 3.566 20 0 DHADRM CCC(CC)CN(CC)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739251428 602484568 /nfs/dbraw/zinc/48/45/68/602484568.db2.gz CWVOTNFYQPITDL-UHFFFAOYSA-N -1 0 310.369 3.814 20 0 DHADRM CC(C)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738758131 602486784 /nfs/dbraw/zinc/48/67/84/602486784.db2.gz SQCUHSHUQWHVOX-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCCC[C@H]1C ZINC000739383907 602487754 /nfs/dbraw/zinc/48/77/54/602487754.db2.gz 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/nfs/dbraw/zinc/54/72/09/602547209.db2.gz XZTRPNDMRQPIJZ-UHFFFAOYSA-N -1 0 324.695 3.527 20 0 DHADRM Cc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000740130183 602554500 /nfs/dbraw/zinc/55/45/00/602554500.db2.gz QJEWPSJMQSCZFZ-UHFFFAOYSA-N -1 0 317.320 3.546 20 0 DHADRM CCCCNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739332957 602598298 /nfs/dbraw/zinc/59/82/98/602598298.db2.gz RZSCZGIIPASFNL-UHFFFAOYSA-N -1 0 319.283 3.717 20 0 DHADRM CCc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000739542512 602601642 /nfs/dbraw/zinc/60/16/42/602601642.db2.gz OKPANFWIHUIPIP-UHFFFAOYSA-N -1 0 319.386 3.722 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000738988176 602602600 /nfs/dbraw/zinc/60/26/00/602602600.db2.gz NVXUJEZWSWHRDF-SECBINFHSA-N -1 0 305.359 3.721 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000740711295 602602706 /nfs/dbraw/zinc/60/27/06/602602706.db2.gz XLBNKNYTVJTEPS-UHFFFAOYSA-N -1 0 313.357 3.531 20 0 DHADRM CC1CCC(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000739087377 602603626 /nfs/dbraw/zinc/60/36/26/602603626.db2.gz HUQPHIQNRZGHSC-UHFFFAOYSA-N -1 0 305.378 3.724 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C2CCC2)c(C(F)(F)F)c1 ZINC000740708158 602644755 /nfs/dbraw/zinc/64/47/55/602644755.db2.gz OTKZWOZOWOOONI-UHFFFAOYSA-N -1 0 302.252 3.534 20 0 DHADRM CN(Cc1ccccc1NC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000739711771 602731446 /nfs/dbraw/zinc/73/14/46/602731446.db2.gz BLCVDPNSXJKIKN-UHFFFAOYSA-N -1 0 302.374 3.625 20 0 DHADRM CSc1ccc(N(C)C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738144074 602731764 /nfs/dbraw/zinc/73/17/64/602731764.db2.gz NTTNTHVARUWAAN-UHFFFAOYSA-N -1 0 316.382 3.775 20 0 DHADRM Cc1cccc2c1CCN2C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830199420 602767691 /nfs/dbraw/zinc/76/76/91/602767691.db2.gz XSWPDSISCHPNMK-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM CCC1(C)CCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1 ZINC000826646013 602796943 /nfs/dbraw/zinc/79/69/43/602796943.db2.gz XWULDFFONADISF-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)cc1NC(=O)[O-] ZINC000830186941 602862235 /nfs/dbraw/zinc/86/22/35/602862235.db2.gz MMTQKEYXYKPZGS-GFCCVEGCSA-N -1 0 324.380 3.924 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)c2cccs2)n1 ZINC000738815546 602929562 /nfs/dbraw/zinc/92/95/62/602929562.db2.gz HHFNEYICSRWABO-UWVGGRQHSA-N -1 0 309.391 3.638 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)cc1NC(=O)[O-] ZINC000830193664 602942046 /nfs/dbraw/zinc/94/20/46/602942046.db2.gz YISINEJTXWLWKW-CQSZACIVSA-N -1 0 318.417 3.983 20 0 DHADRM COc1cc(NC(=O)Nc2ccccc2C)ccc1NC(=O)[O-] ZINC000739870524 602946747 /nfs/dbraw/zinc/94/67/47/602946747.db2.gz MFBANCGMSNXIQO-UHFFFAOYSA-N -1 0 315.329 3.738 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2nccc3ccccc32)cc1 ZINC000738668801 602959553 /nfs/dbraw/zinc/95/95/53/602959553.db2.gz NDFBCHZLICBNTP-UHFFFAOYSA-N -1 0 308.293 3.544 20 0 DHADRM Cc1cc2ccccc2n1CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738248889 602960337 /nfs/dbraw/zinc/96/03/37/602960337.db2.gz 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604469399 /nfs/dbraw/zinc/46/93/99/604469399.db2.gz MNISSDJIJUOBJE-UHFFFAOYSA-N -1 0 316.353 3.779 20 0 DHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000827117308 604478187 /nfs/dbraw/zinc/47/81/87/604478187.db2.gz AMZNTHGBAMFZAZ-BBRMVZONSA-N -1 0 318.417 3.520 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000833151627 604488986 /nfs/dbraw/zinc/48/89/86/604488986.db2.gz RWANRQRLGYXQGQ-AWEZNQCLSA-N -1 0 316.382 3.719 20 0 DHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832966121 604490875 /nfs/dbraw/zinc/49/08/75/604490875.db2.gz IHQRZWGLINSRQT-LLVKDONJSA-N -1 0 318.398 3.680 20 0 DHADRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC000833531923 604494408 /nfs/dbraw/zinc/49/44/08/604494408.db2.gz OIABEOWAMFLYPG-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC000833531924 604494489 /nfs/dbraw/zinc/49/44/89/604494489.db2.gz OIABEOWAMFLYPG-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc21 ZINC000828371159 604494884 /nfs/dbraw/zinc/49/48/84/604494884.db2.gz WGWOSVQOJMLNMG-SECBINFHSA-N -1 0 302.355 3.602 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000832920503 604505292 /nfs/dbraw/zinc/50/52/92/604505292.db2.gz BQKURHQGMZLHHK-NSHDSACASA-N -1 0 318.398 3.946 20 0 DHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000826585547 604505875 /nfs/dbraw/zinc/50/58/75/604505875.db2.gz NQRXXSMYPRJFDK-UHFFFAOYSA-N -1 0 318.398 3.546 20 0 DHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828527596 604506592 /nfs/dbraw/zinc/50/65/92/604506592.db2.gz MSBHPBUFAJHTSN-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000826621319 604522757 /nfs/dbraw/zinc/52/27/57/604522757.db2.gz LBVPJGODNYLMDU-UHFFFAOYSA-N -1 0 304.371 3.503 20 0 DHADRM C/C(=C\COc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000084001277 604528155 /nfs/dbraw/zinc/52/81/55/604528155.db2.gz ZWIFVIJSNGZNKV-QPJJXVBHSA-N -1 0 305.555 3.512 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000263089708 604544149 /nfs/dbraw/zinc/54/41/49/604544149.db2.gz HSYRJEFJSXXVMO-DZGCQCFKSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C\c2cccs2)oc1C(=O)[O-] ZINC000832873589 604548847 /nfs/dbraw/zinc/54/88/47/604548847.db2.gz HCVKAEMEWKTQGA-WWQCOOJYSA-N -1 0 306.339 3.665 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)C(C)(C)c2ccccc2)oc1C(=O)[O-] ZINC000832873192 604554630 /nfs/dbraw/zinc/55/46/30/604554630.db2.gz FLLPUGRSGMNPPO-GFCCVEGCSA-N -1 0 316.353 3.868 20 0 DHADRM CC1(C)CCC[C@H](CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833561666 604554720 /nfs/dbraw/zinc/55/47/20/604554720.db2.gz VNIPUQBMKCJYRZ-CYBMUJFWSA-N -1 0 315.413 3.834 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000833561777 604558247 /nfs/dbraw/zinc/55/82/47/604558247.db2.gz WMCCSMRMDZIGLB-CYBMUJFWSA-N -1 0 304.390 3.609 20 0 DHADRM CC(C)CC1(C(=O)NCCc2cccc(C(=O)[O-])c2)CCCC1 ZINC000321362120 604585535 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CC(C)CC[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000826845782 604651078 /nfs/dbraw/zinc/65/10/78/604651078.db2.gz ZLYPYTFCHMUXCO-HNNXBMFYSA-N -1 0 304.390 3.817 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000833289702 604670121 /nfs/dbraw/zinc/67/01/21/604670121.db2.gz UIWMYHAAWWWTEE-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000761677697 604678426 /nfs/dbraw/zinc/67/84/26/604678426.db2.gz HTLVKNPDCYDTIM-SEYXRHQNSA-N -1 0 323.820 3.895 20 0 DHADRM CCn1c(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)nnc1C1CC1 ZINC000830416438 604709623 /nfs/dbraw/zinc/70/96/23/604709623.db2.gz VNJZPIUXLDINJM-VIFPVBQESA-N -1 0 321.402 3.628 20 0 DHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1OC(F)F ZINC000833525010 604710025 /nfs/dbraw/zinc/71/00/25/604710025.db2.gz LYUPCHOZLJHNKJ-SECBINFHSA-N -1 0 308.284 3.554 20 0 DHADRM C[C@H](Oc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1)C(=O)[O-] ZINC000833537556 604710996 /nfs/dbraw/zinc/71/09/96/604710996.db2.gz 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O=C([O-])NC1CCC(Nc2ccccc2N2CCCCC2)CC1 ZINC000834166810 605695796 /nfs/dbraw/zinc/69/57/96/605695796.db2.gz GSPUDRQKCLJHIF-UHFFFAOYSA-N -1 0 317.433 3.668 20 0 DHADRM Cc1cc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829940367 605701809 /nfs/dbraw/zinc/70/18/09/605701809.db2.gz LPRFTUHXYYXXFT-APWZRJJASA-N -1 0 324.380 3.545 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(NC(=O)[O-])c(C)c1)SC ZINC000826552681 605703273 /nfs/dbraw/zinc/70/32/73/605703273.db2.gz UPBFDVRFMHYPJB-UHFFFAOYSA-N -1 0 324.446 3.737 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000826775799 605710583 /nfs/dbraw/zinc/71/05/83/605710583.db2.gz UEXYGVBWCWPSSU-CYBMUJFWSA-N -1 0 304.390 3.737 20 0 DHADRM CCCCCC[C@H](C)CC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000826819115 605750866 /nfs/dbraw/zinc/75/08/66/605750866.db2.gz AYELBUMIBKAVMK-RRFJBIMHSA-N -1 0 312.454 3.630 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)CC1 ZINC000826813601 605757203 /nfs/dbraw/zinc/75/72/03/605757203.db2.gz 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O=C([O-])Nc1cccc(CSCc2nccn2C(F)F)c1 ZINC000834267731 606010661 /nfs/dbraw/zinc/01/06/61/606010661.db2.gz AEEZRCGDLRAZQG-UHFFFAOYSA-N -1 0 313.329 3.802 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000834275409 606035668 /nfs/dbraw/zinc/03/56/68/606035668.db2.gz GOYKFGZDIYYJKB-SOFGYWHQSA-N -1 0 321.336 3.910 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(C(F)F)c1 ZINC000834272449 606058130 /nfs/dbraw/zinc/05/81/30/606058130.db2.gz CSIJVVKXTVBABR-UHFFFAOYSA-N -1 0 320.295 3.895 20 0 DHADRM Cc1ccncc1C=Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000833909594 606076224 /nfs/dbraw/zinc/07/62/24/606076224.db2.gz DITAWZCCKCVNEL-AATRIKPKSA-N -1 0 322.324 3.700 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191468759 939036751 /nfs/dbraw/zinc/03/67/51/939036751.db2.gz WUOHOWUJGXJHHZ-GOSISDBHSA-N -1 0 319.360 3.704 20 0 DHADRM CC/C=C(\C)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543365 939157738 /nfs/dbraw/zinc/15/77/38/939157738.db2.gz FVAIYHMKGSWFAX-RFKZRZAASA-N -1 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ZINC001589591731 949093535 /nfs/dbraw/zinc/09/35/35/949093535.db2.gz IVFUHPNTRUWGKH-IBGZPJMESA-N -1 0 317.429 3.503 20 0 DHADRM C[C@@H](C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCC1 ZINC001602789795 971548706 /nfs/dbraw/zinc/54/87/06/971548706.db2.gz XTUPMLXFCUITNI-CYBMUJFWSA-N -1 0 315.413 3.527 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1 ZINC001595221423 949257268 /nfs/dbraw/zinc/25/72/68/949257268.db2.gz NHKZVFQRUKEDJL-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM O=C([O-])C1(CNC(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000126897280 949266608 /nfs/dbraw/zinc/26/66/08/949266608.db2.gz XMFBPZWHZZSNPJ-UHFFFAOYSA-N -1 0 323.801 3.539 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(c2nc3ccc(F)cc3s2)C1 ZINC001589607424 949301369 /nfs/dbraw/zinc/30/13/69/949301369.db2.gz HLWUKROAQXIVSI-HNNXBMFYSA-N -1 0 308.378 3.517 20 0 DHADRM CCC1(CC)CN(C(=O)Nc2ccccc2C(=O)[O-])CCS1 ZINC001589612073 949327498 /nfs/dbraw/zinc/32/74/98/949327498.db2.gz CFJWDJFWPZESTB-UHFFFAOYSA-N -1 0 322.430 3.524 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)s1 ZINC000157823210 949364359 /nfs/dbraw/zinc/36/43/59/949364359.db2.gz IXPBCUDDYBXPBM-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)c(F)c1 ZINC001595235546 949390163 /nfs/dbraw/zinc/39/01/63/949390163.db2.gz UAWFHPKXHNTTMC-CYBMUJFWSA-N -1 0 320.364 3.568 20 0 DHADRM O=C([O-])c1cccc(C(=O)NCc2ccc3sccc3c2)c1 ZINC001595241202 949458295 /nfs/dbraw/zinc/45/82/95/949458295.db2.gz DPWXLTSGBNMVRD-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1 ZINC001595249037 949534733 /nfs/dbraw/zinc/53/47/33/949534733.db2.gz NCGRBQIIRPQQAZ-UHFFFAOYSA-N -1 0 323.348 3.546 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1CCCC2(CCCC2)C1 ZINC001595255912 949610842 /nfs/dbraw/zinc/61/08/42/949610842.db2.gz JLZAGXNCURKBPR-UHFFFAOYSA-N -1 0 302.374 3.573 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC001595256086 949615501 /nfs/dbraw/zinc/61/55/01/949615501.db2.gz QLECQMXKMMEISR-HNNXBMFYSA-N -1 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CC(C)Sc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263241721 950338316 /nfs/dbraw/zinc/33/83/16/950338316.db2.gz RRHQVMSZQTWTAF-GXTWGEPZSA-N -1 0 321.442 3.512 20 0 DHADRM CCC[N@H+](CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000263424770 950454313 /nfs/dbraw/zinc/45/43/13/950454313.db2.gz QEXFQMWDUHWZNE-UHFFFAOYSA-N -1 0 309.715 3.655 20 0 DHADRM CC(C)[C@H](CNC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000315979659 950862660 /nfs/dbraw/zinc/86/26/60/950862660.db2.gz ZWSBWJBOJVVREQ-AWEZNQCLSA-N -1 0 317.410 3.502 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1cc(Cl)ccc1Cl ZINC001602853474 971700490 /nfs/dbraw/zinc/70/04/90/971700490.db2.gz VSTBOUYBOIZPMK-JTQLQIEISA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001602854377 971703236 /nfs/dbraw/zinc/70/32/36/971703236.db2.gz GQFMXRVXDAXCTA-KBPBESRZSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001602854649 971705500 /nfs/dbraw/zinc/70/55/00/971705500.db2.gz 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/nfs/dbraw/zinc/11/03/92/1013110392.db2.gz NPUGVHJMNPLIMQ-JTQLQIEISA-N -1 0 323.751 3.899 20 0 DHADRM O=C([O-])CCSCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001595063871 951529711 /nfs/dbraw/zinc/52/97/11/951529711.db2.gz FWTMIJREFUQVQJ-UHFFFAOYSA-N -1 0 315.394 3.647 20 0 DHADRM O=C([O-])CSCCCCOc1cccc(C(F)(F)F)c1 ZINC001595128616 952022535 /nfs/dbraw/zinc/02/25/35/952022535.db2.gz CUJPPZYKKFZQSY-UHFFFAOYSA-N -1 0 308.321 3.682 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)N2CCCC3(CCCC3)C2)c1 ZINC001595132164 952040986 /nfs/dbraw/zinc/04/09/86/952040986.db2.gz KLSSFRUCISCEPI-UHFFFAOYSA-N -1 0 316.401 3.502 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCCC[C@@H]1C1CCC1 ZINC001595135766 952051298 /nfs/dbraw/zinc/05/12/98/952051298.db2.gz DUBKWJPIJLOCHC-MRXNPFEDSA-N -1 0 316.401 3.500 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H](F)CC1CCCCC1 ZINC001595138479 952069131 /nfs/dbraw/zinc/06/91/31/952069131.db2.gz PRIFBIUWVKKNRT-AWEZNQCLSA-N -1 0 307.365 3.561 20 0 DHADRM O=C([O-])c1c(F)ccc(NCc2ncc(C3CC3)o2)c1Cl ZINC001595207307 952338368 /nfs/dbraw/zinc/33/83/68/952338368.db2.gz WFTOMKCZVLYGCX-UHFFFAOYSA-N -1 0 310.712 3.655 20 0 DHADRM CC(C)(C)OCCCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001602917417 971875586 /nfs/dbraw/zinc/87/55/86/971875586.db2.gz ULZWYMHYJYNDJY-OAHLLOKOSA-N -1 0 319.445 3.735 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001602923259 971886060 /nfs/dbraw/zinc/88/60/60/971886060.db2.gz QUSYCPQLUPEXEO-OAHLLOKOSA-N -1 0 319.401 3.519 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001602933612 971898936 /nfs/dbraw/zinc/89/89/36/971898936.db2.gz BVWRDTGPNNVMJY-WDEREUQCSA-N -1 0 323.355 3.505 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C/C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001589269231 953398005 /nfs/dbraw/zinc/39/80/05/953398005.db2.gz RZIAIXPTUNCISY-VDVBHSOZSA-N -1 0 321.461 3.574 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001589269232 953398425 /nfs/dbraw/zinc/39/84/25/953398425.db2.gz RZIAIXPTUNCISY-VNLZQWBYSA-N -1 0 321.461 3.574 20 0 DHADRM Cc1cc2occ(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2cc1C ZINC000424256868 953440099 /nfs/dbraw/zinc/44/00/99/953440099.db2.gz VZDAYOBMYFITIE-CYBMUJFWSA-N -1 0 317.385 3.526 20 0 DHADRM CC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001593620915 953527228 /nfs/dbraw/zinc/52/72/28/953527228.db2.gz NICSNSGROLVTGF-INIZCTEOSA-N -1 0 315.344 3.713 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000519542659 953550425 /nfs/dbraw/zinc/55/04/25/953550425.db2.gz HXGLXOQDAPNYRJ-QGZVFWFLSA-N -1 0 309.365 3.553 20 0 DHADRM Cc1cc(NCc2ccc(N(C)C(C)C)nc2)ccc1C(=O)[O-] ZINC000556919464 953585469 /nfs/dbraw/zinc/58/54/69/953585469.db2.gz WPXZMEJWINUOHH-UHFFFAOYSA-N -1 0 313.401 3.545 20 0 DHADRM CCc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC001593633766 953595438 /nfs/dbraw/zinc/59/54/38/953595438.db2.gz IFBGRNGXXUWRSN-UHFFFAOYSA-N -1 0 316.332 3.659 20 0 DHADRM CCc1ccc(CN(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001593637709 953621098 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309.369 3.593 20 0 DHADRM Cc1cc2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)ccc2[nH]1 ZINC001594330981 958217696 /nfs/dbraw/zinc/21/76/96/958217696.db2.gz CDWPUNLOTROECD-UHFFFAOYSA-N -1 0 314.385 3.552 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001603211036 972325944 /nfs/dbraw/zinc/32/59/44/972325944.db2.gz SEBAOVQTUMQIRO-SOFGYWHQSA-N -1 0 321.279 3.741 20 0 DHADRM COc1ccc(OC(=O)CCCCC(=O)[O-])c(C(C)(C)C)c1 ZINC001594107217 958478181 /nfs/dbraw/zinc/47/81/81/958478181.db2.gz DQGXIKZZGYSQJG-UHFFFAOYSA-N -1 0 308.374 3.543 20 0 DHADRM COc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC001594112339 958525569 /nfs/dbraw/zinc/52/55/69/958525569.db2.gz LBEXSUHYMKCTBB-LBPRGKRZSA-N -1 0 314.337 3.620 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000124997013 958549828 /nfs/dbraw/zinc/54/98/28/958549828.db2.gz OKYDUVHGHZQWOC-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM COc1ccc2ccc(OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2c1 ZINC001594118633 958584536 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Cc1cccc([C@H](NC(=O)CC2CCCCCC2)C(=O)[O-])c1 ZINC001594391712 958733664 /nfs/dbraw/zinc/73/36/64/958733664.db2.gz KFTUFQCTFMSNDZ-KRWDZBQOSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1Cl ZINC001594407880 958914577 /nfs/dbraw/zinc/91/45/77/958914577.db2.gz QDCIBCFEZWDCDG-WAYWQWQTSA-N -1 0 305.717 3.592 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001573463051 958926535 /nfs/dbraw/zinc/92/65/35/958926535.db2.gz WUOWASRASIXOPO-WDZFZDKYSA-N -1 0 324.380 3.729 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001573463093 958926663 /nfs/dbraw/zinc/92/66/63/958926663.db2.gz YZTDOKSVRCQRBG-DHZHZOJOSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594410972 958948349 /nfs/dbraw/zinc/94/83/49/958948349.db2.gz GYDFCVSFIWFYIM-OLZOCXBDSA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC001573490095 959012872 /nfs/dbraw/zinc/01/28/72/959012872.db2.gz 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972492696 /nfs/dbraw/zinc/49/26/96/972492696.db2.gz QRJLAGQUAZLIIM-UHFFFAOYSA-N -1 0 323.392 3.728 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588657952 960418864 /nfs/dbraw/zinc/41/88/64/960418864.db2.gz DBDSSYPKSXUTIL-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)c2C(=O)[O-])C1 ZINC001573737684 960458990 /nfs/dbraw/zinc/45/89/90/960458990.db2.gz BVTJZLBWYHIGHI-ZNSHCXBVSA-N -1 0 319.426 3.556 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001123379916 960462215 /nfs/dbraw/zinc/46/22/15/960462215.db2.gz FVSPCPXQLIAGMW-BIWSTMPVSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1Cl ZINC001574259195 960558931 /nfs/dbraw/zinc/55/89/31/960558931.db2.gz FQQOMTDCTLFZLU-ZCFIWIBFSA-N -1 0 324.591 3.689 20 0 DHADRM C[C@@H](SCCC(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001603281790 972514167 /nfs/dbraw/zinc/51/41/67/972514167.db2.gz QPSWVQLHEQURRL-SSDOTTSWSA-N -1 0 322.213 3.528 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000236442673 960607353 /nfs/dbraw/zinc/60/73/53/960607353.db2.gz YXHGSTDMXZMPRC-QMMMGPOBSA-N -1 0 322.213 3.524 20 0 DHADRM CC/C(=C/C(=O)N(CC(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC001573760441 960613616 /nfs/dbraw/zinc/61/36/16/960613616.db2.gz ZWYIXAXGDZMKPZ-BENRWUELSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC001253329493 960645577 /nfs/dbraw/zinc/64/55/77/960645577.db2.gz JJAAVQJQSOQCLW-AWEZNQCLSA-N -1 0 323.392 3.827 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC001573769735 960653022 /nfs/dbraw/zinc/65/30/22/960653022.db2.gz CQTFTMFSTWYZEF-UHFFFAOYSA-N -1 0 305.418 3.605 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573770699 960667714 /nfs/dbraw/zinc/66/77/14/960667714.db2.gz VSDGOGRIPREEAK-UKRRQHHQSA-N -1 0 317.429 3.557 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC001573775773 960671360 /nfs/dbraw/zinc/67/13/60/960671360.db2.gz BJXSXARCMQEQIL-GDBMZVCRSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC001573776468 960689038 /nfs/dbraw/zinc/68/90/38/960689038.db2.gz RLUASQNBCXRKGA-CYBMUJFWSA-N -1 0 323.458 3.517 20 0 DHADRM CC(C)COCCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000236612193 960715381 /nfs/dbraw/zinc/71/53/81/960715381.db2.gz LSNLOSXMCQTATP-UHFFFAOYSA-N -1 0 315.369 3.539 20 0 DHADRM Cc1c(NC(=O)C2(C(=O)[O-])CCCCCC2)noc1C(C)(C)C ZINC001574304805 960732344 /nfs/dbraw/zinc/73/23/44/960732344.db2.gz SVINVQVUNREVHM-UHFFFAOYSA-N -1 0 322.405 3.644 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(C(C)C)cc1 ZINC000236709031 960737786 /nfs/dbraw/zinc/73/77/86/960737786.db2.gz OFVCHNNXVXEEOL-UHFFFAOYSA-N -1 0 319.445 3.702 20 0 DHADRM Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574306057 960738650 /nfs/dbraw/zinc/73/86/50/960738650.db2.gz CVMQMFVRKZXFHK-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1ccc2c(c1)N(C(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC001574315028 960778588 /nfs/dbraw/zinc/77/85/88/960778588.db2.gz HEUUDDXGMOYOSQ-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC001574316546 960793145 /nfs/dbraw/zinc/79/31/45/960793145.db2.gz RHKXZNDYQMUXHX-AWEZNQCLSA-N -1 0 317.410 3.563 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000236936585 960803723 /nfs/dbraw/zinc/80/37/23/960803723.db2.gz SYSIDOKTAQTOPD-AWEZNQCLSA-N -1 0 311.381 3.679 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)CCCCCC2 ZINC000237043341 960851716 /nfs/dbraw/zinc/85/17/16/960851716.db2.gz RQNIOGZRWVUCHD-KRWDZBQOSA-N -1 0 323.458 3.780 20 0 DHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(Cl)cc1F ZINC001574333871 960902157 /nfs/dbraw/zinc/90/21/57/960902157.db2.gz RBRYWCFMBTUTNZ-OAHLLOKOSA-N -1 0 311.740 3.537 20 0 DHADRM Cc1cc(NC(=O)Nc2cccc(C3CC3)n2)ccc1C(=O)[O-] ZINC001574338233 960921297 /nfs/dbraw/zinc/92/12/97/960921297.db2.gz IAHOUMCJZMKRKL-UHFFFAOYSA-N -1 0 311.341 3.610 20 0 DHADRM CC[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573814850 960925400 /nfs/dbraw/zinc/92/54/00/960925400.db2.gz ZLBMYKDBIVBGJN-CFRMROPGSA-N -1 0 300.310 3.686 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)OC2CCCCCC2)cc1C(=O)[O-] ZINC000237396275 960927992 /nfs/dbraw/zinc/92/79/92/960927992.db2.gz WLXZRQYIECABKD-CYBMUJFWSA-N -1 0 319.401 3.760 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccccc1F ZINC001319323754 960940569 /nfs/dbraw/zinc/94/05/69/960940569.db2.gz DGYMNZHNFQPGRB-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001319406230 960943320 /nfs/dbraw/zinc/94/33/20/960943320.db2.gz CJNMSGAFVVVBMS-NKAIQICCSA-N -1 0 323.392 3.731 20 0 DHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237615258 960974463 /nfs/dbraw/zinc/97/44/63/960974463.db2.gz SMMYHQHYBWWASC-NSHDSACASA-N -1 0 309.321 3.622 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001574351259 960988824 /nfs/dbraw/zinc/98/88/24/960988824.db2.gz JFMIOXMNQZBHAA-ZDUSSCGKSA-N -1 0 311.809 3.658 20 0 DHADRM CCC(CC)(CC(=O)NCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000387493628 1013220877 /nfs/dbraw/zinc/22/08/77/1013220877.db2.gz JJDLUMUWRZBPDA-UHFFFAOYSA-N -1 0 305.418 3.707 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC000237920397 961039430 /nfs/dbraw/zinc/03/94/30/961039430.db2.gz BOVPZQLJBTYXLK-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccc(Cl)c(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001574368331 961056124 /nfs/dbraw/zinc/05/61/24/961056124.db2.gz XAEFNDYHAYGXMZ-DAXSKMNVSA-N -1 0 306.701 3.558 20 0 DHADRM C/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cnccn1 ZINC001325762115 961061964 /nfs/dbraw/zinc/06/19/64/961061964.db2.gz IDFFHTSXWQRYGB-ZRDIBKRKSA-N -1 0 306.321 3.995 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000238050278 961088514 /nfs/dbraw/zinc/08/85/14/961088514.db2.gz MVHJPXCVGYHZHC-QGZVFWFLSA-N -1 0 315.413 3.814 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001588734594 961125147 /nfs/dbraw/zinc/12/51/47/961125147.db2.gz HBJGYHANDPGSFB-AWEZNQCLSA-N -1 0 321.417 3.687 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(=O)[O-])c1 ZINC001574386839 961134385 /nfs/dbraw/zinc/13/43/85/961134385.db2.gz BDPBPEAXMORZKD-GUTXKFCHSA-N -1 0 305.418 3.555 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001588739554 961154463 /nfs/dbraw/zinc/15/44/63/961154463.db2.gz IMCGKCYWUYVONG-NEPJUHHUSA-N -1 0 323.820 3.621 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000238203743 961159762 /nfs/dbraw/zinc/15/97/62/961159762.db2.gz KONKHRGVXJWMCJ-SFHVURJKSA-N -1 0 323.392 3.622 20 0 DHADRM CC(C)(C)c1csc(C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC001588746568 961179236 /nfs/dbraw/zinc/17/92/36/961179236.db2.gz CWKVOBUAGNZBDT-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)CCCC(=O)[O-] ZINC001328592229 961214623 /nfs/dbraw/zinc/21/46/23/961214623.db2.gz YFJSTCFMCNMEGG-UHFFFAOYSA-N -1 0 311.809 3.580 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001574401962 961238124 /nfs/dbraw/zinc/23/81/24/961238124.db2.gz QUPUSQYWKJBKBY-HOTGVXAUSA-N -1 0 305.418 3.555 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001574402455 961243869 /nfs/dbraw/zinc/24/38/69/961243869.db2.gz YUBBRUGKFXZARD-HNAYVOBHSA-N -1 0 317.429 3.699 20 0 DHADRM CC(C)(CCC(=O)[O-])Nc1ncnc2sc3c(c21)CCCC3 ZINC001588768322 961256072 /nfs/dbraw/zinc/25/60/72/961256072.db2.gz OAPAZYBYBYSWGY-UHFFFAOYSA-N -1 0 319.430 3.625 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001574417410 961329021 /nfs/dbraw/zinc/32/90/21/961329021.db2.gz QAEDUFIMWQLPDZ-UHFFFAOYSA-N -1 0 319.382 3.630 20 0 DHADRM CCOc1c(Cl)cc(NC2CC(C(=O)[O-])C2)cc1Cl ZINC001573918702 961509259 /nfs/dbraw/zinc/50/92/59/961509259.db2.gz DKGROEGHJAIUCF-UHFFFAOYSA-N -1 0 304.173 3.667 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001573925241 961546208 /nfs/dbraw/zinc/54/62/08/961546208.db2.gz WOTOWDMOQKIQHL-GFCCVEGCSA-N -1 0 314.337 3.702 20 0 DHADRM O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220326453 1013267695 /nfs/dbraw/zinc/26/76/95/1013267695.db2.gz NJLFPAHKZATJFI-VIFPVBQESA-N -1 0 304.173 3.597 20 0 DHADRM CCc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1F ZINC001573952358 961648118 /nfs/dbraw/zinc/64/81/18/961648118.db2.gz HMGTXUKONWVBPD-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2=CCCCC2)cc1 ZINC001333519610 961712097 /nfs/dbraw/zinc/71/20/97/961712097.db2.gz ABBBXWARLHGBKH-MRXNPFEDSA-N -1 0 301.386 3.518 20 0 DHADRM CC(C)c1nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC000262463903 961736687 /nfs/dbraw/zinc/73/66/87/961736687.db2.gz XZLNRIPOLVKTGG-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CC(C)[C@@H](OC(=O)CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001588835164 961760649 /nfs/dbraw/zinc/76/06/49/961760649.db2.gz FWSAZHKMKFDZBU-GOSISDBHSA-N -1 0 304.386 3.671 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC001588835196 961761961 /nfs/dbraw/zinc/76/19/61/961761961.db2.gz GLLRUIYEYZNUMY-ZACQAIPSSA-N -1 0 317.429 3.732 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)CC2)c1 ZINC000262560152 961772400 /nfs/dbraw/zinc/77/24/00/961772400.db2.gz WBCHOBRJDQWYEZ-UHFFFAOYSA-N -1 0 323.392 3.980 20 0 DHADRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001573983615 961782725 /nfs/dbraw/zinc/78/27/25/961782725.db2.gz WFWAZHXSDWKUDJ-SFRZCGLPSA-N -1 0 319.401 3.664 20 0 DHADRM CC(C)C1(C)CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001588839187 961782988 /nfs/dbraw/zinc/78/29/88/961782988.db2.gz UHJCOFJIXSQXOE-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2C)C1(C)C ZINC001334357286 961802782 /nfs/dbraw/zinc/80/27/82/961802782.db2.gz DNFHGHGMHRGZNH-UKRRQHHQSA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000262701695 961815274 /nfs/dbraw/zinc/81/52/74/961815274.db2.gz IGYOEIGVSVGCGL-BRWVUGGUSA-N -1 0 317.429 3.781 20 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CCN(C(=O)C[C@H](C)c1ccc(C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001603705968 974112213 /nfs/dbraw/zinc/11/22/13/974112213.db2.gz QPPNOOHPBNXFPT-KBPBESRZSA-N -1 0 305.418 3.625 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000439983842 974115286 /nfs/dbraw/zinc/11/52/86/974115286.db2.gz OLEWUCGBLXPIKP-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000656236876 1014178472 /nfs/dbraw/zinc/17/84/72/1014178472.db2.gz XDIJVNSQGBSPDV-HOCLYGCPSA-N -1 0 303.402 3.631 20 0 DHADRM CC(C)(CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000087726073 1014183786 /nfs/dbraw/zinc/18/37/86/1014183786.db2.gz CEZPLAPVQFHWTM-CYBMUJFWSA-N -1 0 309.793 3.504 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(C2CC2)c1 ZINC000656236526 1014181242 /nfs/dbraw/zinc/18/12/42/1014181242.db2.gz RYCMLDGQIFDLTK-SFHVURJKSA-N -1 0 323.392 3.818 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000530460007 974366190 /nfs/dbraw/zinc/36/61/90/974366190.db2.gz 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CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC000565101480 974568024 /nfs/dbraw/zinc/56/80/24/974568024.db2.gz MFYZNHMKHFQAQB-ZDUSSCGKSA-N -1 0 305.399 3.857 20 0 DHADRM Cc1ccc(C)c([C@H](C)N(C)Cc2nc(C(=O)[O-])cs2)c1 ZINC000565365691 974579884 /nfs/dbraw/zinc/57/98/84/974579884.db2.gz FDKGWBDNVRYXLL-LBPRGKRZSA-N -1 0 304.415 3.651 20 0 DHADRM Cc1cccc(C2=CCN([C@H](C(=O)[O-])c3ccsc3)CC2)c1 ZINC000567242016 974630656 /nfs/dbraw/zinc/63/06/56/974630656.db2.gz NVOFCFLXLIUBOL-KRWDZBQOSA-N -1 0 313.422 3.972 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000568246736 974662879 /nfs/dbraw/zinc/66/28/79/974662879.db2.gz WPQHCARWBSDWEU-HUUCEWRRSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000573020643 974758278 /nfs/dbraw/zinc/75/82/78/974758278.db2.gz RBVWTLQOKIADBY-OAHLLOKOSA-N -1 0 317.429 3.849 20 0 DHADRM Cc1oc(CN(C)Cc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000573855514 974772089 /nfs/dbraw/zinc/77/20/89/974772089.db2.gz 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CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000630285640 975230165 /nfs/dbraw/zinc/23/01/65/975230165.db2.gz CLYWAAQTMDERHF-ZBEGNZNMSA-N -1 0 315.369 3.538 20 0 DHADRM COc1ccc(N(CCC(C)C)C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000630295144 975235266 /nfs/dbraw/zinc/23/52/66/975235266.db2.gz QXRCFQXGVBRTOQ-CQSZACIVSA-N -1 0 321.417 3.575 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000630298354 975237547 /nfs/dbraw/zinc/23/75/47/975237547.db2.gz UZVVSUYXVLVNGC-HAQNSBGRSA-N -1 0 309.793 3.732 20 0 DHADRM Cc1cccc(CCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327850 975254735 /nfs/dbraw/zinc/25/47/35/975254735.db2.gz XVWPHSYDGFBCHF-ZWKOTPCHSA-N -1 0 323.392 3.754 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000630327691 975254984 /nfs/dbraw/zinc/25/49/84/975254984.db2.gz REMDJJDINAVJIL-XABYNWHXSA-N -1 0 301.386 3.640 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000263182569 1014250451 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CC(C)S[C@H]1CCCC[C@H]1OC(=O)c1cc(C(=O)[O-])co1 ZINC001591823649 976077843 /nfs/dbraw/zinc/07/78/43/976077843.db2.gz OLBUBSOPNGSRQC-YPMHNXCESA-N -1 0 312.387 3.587 20 0 DHADRM C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCCCC2 ZINC000683341754 976090598 /nfs/dbraw/zinc/09/05/98/976090598.db2.gz CGOFNDDRFKHUBN-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)Nc2nccc(C(=O)[O-])n2)cc1 ZINC001591829411 976091950 /nfs/dbraw/zinc/09/19/50/976091950.db2.gz KOZRURFXGHILSZ-LLVKDONJSA-N -1 0 317.414 3.848 20 0 DHADRM CC(C)Sc1ccccc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001591829667 976093876 /nfs/dbraw/zinc/09/38/76/976093876.db2.gz WTPPXQLJIQNXPZ-UHFFFAOYSA-N -1 0 322.411 3.594 20 0 DHADRM CC(C)c1c[nH]c(SCc2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001591925960 976412850 /nfs/dbraw/zinc/41/28/50/976412850.db2.gz NHLFLNVZKMOWTD-UHFFFAOYSA-N -1 0 316.426 3.942 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591935108 976449198 /nfs/dbraw/zinc/44/91/98/976449198.db2.gz 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CC(C)c1ccc2c(c1)CCCN2C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591973525 976576104 /nfs/dbraw/zinc/57/61/04/976576104.db2.gz CNOWAVAMHUJFET-HIFRSBDPSA-N -1 0 309.356 3.529 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001591983789 976604330 /nfs/dbraw/zinc/60/43/30/976604330.db2.gz RVQQRBCAXZQESX-GOSISDBHSA-N -1 0 323.392 3.634 20 0 DHADRM CC(C)c1cnc(CN2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001592002741 976654347 /nfs/dbraw/zinc/65/43/47/976654347.db2.gz FTCJKSZGEUQKGQ-UHFFFAOYSA-N -1 0 316.426 3.523 20 0 DHADRM CC(C)c1nc(NC(=O)C2(F)CCCCC2)sc1C(=O)[O-] ZINC001592021359 976713632 /nfs/dbraw/zinc/71/36/32/976713632.db2.gz CCUYGAUINNDFTR-UHFFFAOYSA-N -1 0 314.382 3.576 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2CCCC3(CC3)C2)sc1C(=O)[O-] ZINC001592021947 976716872 /nfs/dbraw/zinc/71/68/72/976716872.db2.gz JFDWYTAJBMEYPP-SNVBAGLBSA-N -1 0 322.430 3.874 20 0 DHADRM CC(C)c1nc(NC(=O)C(C)(C)CC(F)F)sc1C(=O)[O-] ZINC001592023088 976725268 /nfs/dbraw/zinc/72/52/68/976725268.db2.gz 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977552034 /nfs/dbraw/zinc/55/20/34/977552034.db2.gz VUYOJFYOOYRTSW-SECBINFHSA-N -1 0 312.797 3.834 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001592370717 977886726 /nfs/dbraw/zinc/88/67/26/977886726.db2.gz KVGNBMUETCVYRZ-ZBFHGGJFSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001592370712 977887077 /nfs/dbraw/zinc/88/70/77/977887077.db2.gz KVGNBMUETCVYRZ-GDBMZVCRSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC001592423818 978042033 /nfs/dbraw/zinc/04/20/33/978042033.db2.gz HRQXEDUMZGIIAG-MEBBXXQBSA-N -1 0 322.744 3.796 20 0 DHADRM C[C@@H](CC(=O)OC1CC(CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC001592428739 978052055 /nfs/dbraw/zinc/05/20/55/978052055.db2.gz GRDFZYVQLXCCSK-NUYPLMSZSA-N -1 0 324.804 3.705 20 0 DHADRM C[C@@H](OC(=O)C[C@H](C)c1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001592429612 978056326 /nfs/dbraw/zinc/05/63/26/978056326.db2.gz OCAVYCRRLQNXCP-WDEREUQCSA-N -1 0 320.316 3.915 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CC[C@@H]1CCCCN1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595451261 981107337 /nfs/dbraw/zinc/10/73/37/981107337.db2.gz MRXHFHKNPIIUBM-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2ncc(C(C)(C)C)o2)C(=O)[O-])c1 ZINC000905392528 981112794 /nfs/dbraw/zinc/11/27/94/981112794.db2.gz UHGIHTZEFMUNAP-INIZCTEOSA-N -1 0 316.401 3.504 20 0 DHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595452299 981113330 /nfs/dbraw/zinc/11/33/30/981113330.db2.gz HNYGEGTYDJSXKS-QWRGUYRKSA-N -1 0 324.808 3.986 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001595453753 981120520 /nfs/dbraw/zinc/12/05/20/981120520.db2.gz WLSZKOUZJIOMFE-LLVKDONJSA-N -1 0 310.419 3.717 20 0 DHADRM CSc1ccc(N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1C(=O)[O-] ZINC000905727087 981125542 /nfs/dbraw/zinc/12/55/42/981125542.db2.gz MPYSGHBWWHCZGM-JHJVBQTASA-N -1 0 321.442 3.724 20 0 DHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(-c2ccon2)cc1 ZINC000905771744 981147689 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CC[C@@H]1c2ccccc2CCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595505148 981281619 /nfs/dbraw/zinc/28/16/19/981281619.db2.gz YOPWJNBTVPKBRR-SMDDNHRTSA-N -1 0 316.426 3.912 20 0 DHADRM CC(C)(C(=O)NCCCCC1(C(=O)[O-])CCC1)C1CCCC1 ZINC000908339808 981304340 /nfs/dbraw/zinc/30/43/40/981304340.db2.gz SLFNUXVSWGIRKZ-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1cc2[n-]c(Cc3nc(C4CC4)cs3)nc(=O)c2s1 ZINC000656490696 1014724420 /nfs/dbraw/zinc/72/44/20/1014724420.db2.gz FSUFBUIURLNTDI-UHFFFAOYSA-N -1 0 303.412 3.630 20 0 DHADRM CC[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C1CCC(C)CC1 ZINC000908654896 981334858 /nfs/dbraw/zinc/33/48/58/981334858.db2.gz LVIHTTTUUGDCDW-CKUJCDMFSA-N -1 0 321.461 3.552 20 0 DHADRM CC/C=C\CCSCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595520136 981335195 /nfs/dbraw/zinc/33/51/95/981335195.db2.gz CFEIDBPZAACNQH-PLNGDYQASA-N -1 0 307.415 3.721 20 0 DHADRM CN(CCC1CCCCC1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908773867 981360275 /nfs/dbraw/zinc/36/02/75/981360275.db2.gz NTWNPCDTVICTTC-UHFFFAOYSA-N -1 0 321.461 3.840 20 0 DHADRM CCC[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001595533546 981376532 /nfs/dbraw/zinc/37/65/32/981376532.db2.gz ZTYWDTCNHGBRQG-OAHLLOKOSA-N -1 0 323.392 3.858 20 0 DHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595536016 981379440 /nfs/dbraw/zinc/37/94/40/981379440.db2.gz MBURYVFVGMWFJG-LSDHHAIUSA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)(CC(=O)N(CC(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000909002376 981399339 /nfs/dbraw/zinc/39/93/39/981399339.db2.gz MKGYORUCSOZMID-UHFFFAOYSA-N -1 0 323.355 3.601 20 0 DHADRM CCCC(C)(C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595541834 981402165 /nfs/dbraw/zinc/40/21/65/981402165.db2.gz PKIJTDPOYWDMLL-UONOGXRCSA-N -1 0 304.390 3.575 20 0 DHADRM CCC[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595542651 981404341 /nfs/dbraw/zinc/40/43/41/981404341.db2.gz WXGIEIPZZWIVDR-MAUKXSAKSA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@](C)(NC(=O)/C=C(\CC)c1cccc(Cl)c1)C(=O)[O-] ZINC001595546430 981411109 /nfs/dbraw/zinc/41/11/09/981411109.db2.gz PLKKNGCDFVNBPB-FLVLSHQESA-N -1 0 323.820 3.893 20 0 DHADRM Cc1ccc2c(ccc(C)c2C(=O)NCCCCCC(=O)[O-])c1 ZINC000909095767 981417185 /nfs/dbraw/zinc/41/71/85/981417185.db2.gz WUYHSVRNCROVKH-UHFFFAOYSA-N -1 0 313.397 3.831 20 0 DHADRM CC(C)(CC(=O)NC1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC000909157981 981428313 /nfs/dbraw/zinc/42/83/13/981428313.db2.gz PBEZZRGICJPRID-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CC1 ZINC000909224043 981435645 /nfs/dbraw/zinc/43/56/45/981435645.db2.gz CBNWHXSZEHWTBI-UHFFFAOYSA-N -1 0 321.442 3.769 20 0 DHADRM CSCC[C@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000933188042 1014735429 /nfs/dbraw/zinc/73/54/29/1014735429.db2.gz JUTVNBJLYSFVJC-QMMMGPOBSA-N -1 0 322.257 3.913 20 0 DHADRM CCC/C(C)=C\C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001595564854 981453265 /nfs/dbraw/zinc/45/32/65/981453265.db2.gz ALDHUZSEMGHUTI-LLNWESEBSA-N -1 0 318.417 3.523 20 0 DHADRM CCC/C(C)=C\C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595565899 981457435 /nfs/dbraw/zinc/45/74/35/981457435.db2.gz LTFXFNZJBMWLNB-WOWTTXDGSA-N -1 0 301.386 3.550 20 0 DHADRM CCC/C(C)=C\C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595567053 981465598 /nfs/dbraw/zinc/46/55/98/981465598.db2.gz VXAKGZWHFHXWCU-QXMHVHEDSA-N -1 0 301.386 3.719 20 0 DHADRM O=C([O-])CCCOc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000909331141 981469984 /nfs/dbraw/zinc/46/99/84/981469984.db2.gz GXFLVULJWIKTCV-AWEZNQCLSA-N -1 0 317.385 3.615 20 0 DHADRM CCC[C@@H](C)CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595570935 981476958 /nfs/dbraw/zinc/47/69/58/981476958.db2.gz LSOUSOAMFKKMGM-YPUOHESYSA-N -1 0 306.358 3.525 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595572134 981483398 /nfs/dbraw/zinc/48/33/98/981483398.db2.gz YFZPMKHPWYTHQH-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595579679 981509875 /nfs/dbraw/zinc/50/98/75/981509875.db2.gz SLVDBOPRNPBQAT-CYBMUJFWSA-N -1 0 309.381 3.706 20 0 DHADRM CCC[C@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595580834 981520844 /nfs/dbraw/zinc/52/08/44/981520844.db2.gz NWZXVRCOTTVVLB-VIFPVBQESA-N -1 0 306.387 3.910 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001595585801 981526504 /nfs/dbraw/zinc/52/65/04/981526504.db2.gz DQYOAHLJPRCFDQ-AWEZNQCLSA-N -1 0 321.417 3.859 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595585979 981527965 /nfs/dbraw/zinc/52/79/65/981527965.db2.gz KIMPFYQWNWTBFC-SWLSCSKDSA-N -1 0 323.458 3.867 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595586088 981529099 /nfs/dbraw/zinc/52/90/99/981529099.db2.gz OQYZBOFXIHARIU-GUYCJALGSA-N -1 0 313.397 3.908 20 0 DHADRM CCCC(CCC)C(=O)Nc1c(F)c(OC)ccc1C(=O)[O-] ZINC001595586617 981533977 /nfs/dbraw/zinc/53/39/77/981533977.db2.gz HUSMOQYCCIKRIT-UHFFFAOYSA-N -1 0 311.353 3.687 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001595587242 981539832 /nfs/dbraw/zinc/53/98/32/981539832.db2.gz GJPKFKDYQMXXAN-HOTGVXAUSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595587795 981544041 /nfs/dbraw/zinc/54/40/41/981544041.db2.gz VLBPLUNUCBTICL-CYBMUJFWSA-N -1 0 319.405 3.500 20 0 DHADRM CCC[C@H](CC)SCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595587820 981544290 /nfs/dbraw/zinc/54/42/90/981544290.db2.gz WKMATHPJGKVJMN-ZDUSSCGKSA-N -1 0 309.431 3.944 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595587882 981544775 /nfs/dbraw/zinc/54/47/75/981544775.db2.gz YZGHVOFIQGEQEI-UUAJXVIYSA-N -1 0 321.461 3.599 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C1=CCCC1)c1ccc2ccccc2c1 ZINC000909697732 981573800 /nfs/dbraw/zinc/57/38/00/981573800.db2.gz ZXBMPBSXNSUTFW-KRWDZBQOSA-N -1 0 309.365 3.582 20 0 DHADRM CCC[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001595600756 981583124 /nfs/dbraw/zinc/58/31/24/981583124.db2.gz WRTDHBYXDZWENR-INIZCTEOSA-N -1 0 315.344 3.795 20 0 DHADRM CCC[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595604752 981590465 /nfs/dbraw/zinc/59/04/65/981590465.db2.gz PYVPKGCWUBJFNH-CYBMUJFWSA-N -1 0 321.327 3.715 20 0 DHADRM CCC[C@H](O)CCCSCc1ccc(C(=O)[O-])cc1F ZINC001595607712 981605239 /nfs/dbraw/zinc/60/52/39/981605239.db2.gz GNPDBIKJYXTMEW-ZDUSSCGKSA-N -1 0 300.395 3.698 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001594743487 981624090 /nfs/dbraw/zinc/62/40/90/981624090.db2.gz SOXGGTQAEILHSD-SJORKVTESA-N -1 0 317.429 3.974 20 0 DHADRM C[C@@H](N(C)C(=O)c1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC000581378235 1014752797 /nfs/dbraw/zinc/75/27/97/1014752797.db2.gz CGORTNYWBWPELQ-SECBINFHSA-N -1 0 303.324 3.918 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505887 1014753008 /nfs/dbraw/zinc/75/30/08/1014753008.db2.gz GTOJMEXLIYXAQP-INIZCTEOSA-N -1 0 314.385 3.507 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001594752780 981656960 /nfs/dbraw/zinc/65/69/60/981656960.db2.gz GLGNAMILHZSACR-MRXNPFEDSA-N -1 0 317.429 3.506 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001595620722 981692383 /nfs/dbraw/zinc/69/23/83/981692383.db2.gz RCQQQCYMCHEEGT-IAGOWNOFSA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C(C)=C\c1ccco1)c1ccccc1 ZINC001594763796 981702109 /nfs/dbraw/zinc/70/21/09/981702109.db2.gz FYEZVFGVEZCFOR-BFFYNSAMSA-N -1 0 313.353 3.579 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C(C)=C\C(C)(C)C)c1ccccc1 ZINC001594764000 981703693 /nfs/dbraw/zinc/70/36/93/981703693.db2.gz HTSJXGXRXAVKKT-WIDZWVOGSA-N -1 0 303.402 3.875 20 0 DHADRM CCC[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001595621950 981705202 /nfs/dbraw/zinc/70/52/02/981705202.db2.gz CKLIPCDXOWGZHX-SNVBAGLBSA-N -1 0 316.323 3.815 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595622166 981707418 /nfs/dbraw/zinc/70/74/18/981707418.db2.gz RSQRVIZTVXVWSP-RDJZCZTQSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595622495 981711381 /nfs/dbraw/zinc/71/13/81/981711381.db2.gz ULPOJGKUHIVFDL-GXSJLCMTSA-N -1 0 322.430 3.874 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595622633 981712871 /nfs/dbraw/zinc/71/28/71/981712871.db2.gz USFRUEOEQNVEBI-VHSXEESVSA-N -1 0 311.328 3.818 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001595622817 981714226 /nfs/dbraw/zinc/71/42/26/981714226.db2.gz ZTQRJJABIRWTJB-LBPRGKRZSA-N -1 0 322.380 3.876 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595622846 981714938 /nfs/dbraw/zinc/71/49/38/981714938.db2.gz WHUUAZGLPPFIOB-WBVHZDCISA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001594768182 981727846 /nfs/dbraw/zinc/72/78/46/981727846.db2.gz PSMKFVBBTRGQBN-GDBMZVCRSA-N -1 0 301.386 3.629 20 0 DHADRM CCc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1F ZINC000910025032 981737907 /nfs/dbraw/zinc/73/79/07/981737907.db2.gz YSLJZDRKVNDIOC-UHFFFAOYSA-N -1 0 319.376 3.752 20 0 DHADRM CC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000910041464 981740531 /nfs/dbraw/zinc/74/05/31/981740531.db2.gz CUJKSBOAGJDPCJ-HJWRWDBZSA-N -1 0 313.300 3.671 20 0 DHADRM CCCC[C@H](C(=O)N1CCc2c1cccc2C(=O)[O-])C(C)C ZINC001595627597 981774055 /nfs/dbraw/zinc/77/40/55/981774055.db2.gz LCPVHDGBRFTZGU-ZDUSSCGKSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1CCC(C)(C)CC1 ZINC001594779923 981781828 /nfs/dbraw/zinc/78/18/28/981781828.db2.gz BOSMMLDMBDCAGS-GOSISDBHSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001594780901 981785939 /nfs/dbraw/zinc/78/59/39/981785939.db2.gz IXSBFILZVVHWEK-QAPCUYQASA-N -1 0 307.434 3.615 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1occc1C(C)C ZINC001594786007 981807287 /nfs/dbraw/zinc/80/72/87/981807287.db2.gz QBKACXJCLFDCFM-QGZVFWFLSA-N -1 0 307.390 3.509 20 0 DHADRM CCc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)ccc1C ZINC000910242260 981810318 /nfs/dbraw/zinc/81/03/18/981810318.db2.gz FJZXPFVDCQAFRM-UHFFFAOYSA-N -1 0 301.386 3.531 20 0 DHADRM CCCC[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)C(C)C ZINC001595630358 981818733 /nfs/dbraw/zinc/81/87/33/981818733.db2.gz CVASKXGDOHJISX-CYBMUJFWSA-N -1 0 308.374 3.761 20 0 DHADRM CCCC[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595630401 981819149 /nfs/dbraw/zinc/81/91/49/981819149.db2.gz DXSFAVMTVDLDQZ-LBPRGKRZSA-N -1 0 311.809 3.580 20 0 DHADRM CCCC[C@](C)(F)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595630419 981819537 /nfs/dbraw/zinc/81/95/37/981819537.db2.gz FJGBAMDJWCGHFW-YOEHRIQHSA-N -1 0 315.429 3.692 20 0 DHADRM CCCC[C@@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595630702 981824655 /nfs/dbraw/zinc/82/46/55/981824655.db2.gz OCEBKFHXLHAXCA-CYBMUJFWSA-N -1 0 303.402 3.880 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595630793 981827179 /nfs/dbraw/zinc/82/71/79/981827179.db2.gz QIPALPWRCPYTJO-AWEZNQCLSA-N -1 0 316.398 3.822 20 0 DHADRM CCCC[C@@H](C)[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595631237 981835159 /nfs/dbraw/zinc/83/51/59/981835159.db2.gz IDQGFROINKJEPY-OLZOCXBDSA-N -1 0 303.406 3.748 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595631406 981837570 /nfs/dbraw/zinc/83/75/70/981837570.db2.gz OXKSINUMUHGUJK-QMMMGPOBSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@@H](CC)C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001595632489 981855781 /nfs/dbraw/zinc/85/57/81/981855781.db2.gz ZTOOWQWPHXFWNW-JJRVBVJISA-N -1 0 317.429 3.881 20 0 DHADRM CCCC[C@@H](CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595632505 981856976 /nfs/dbraw/zinc/85/69/76/981856976.db2.gz ZZBITSXJJAABMI-ZBFHGGJFSA-N -1 0 311.466 3.990 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(Cl)c(C)c1 ZINC001594794223 981868458 /nfs/dbraw/zinc/86/84/58/981868458.db2.gz XKSRBNFOAQCXDA-QGZVFWFLSA-N -1 0 323.820 3.754 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594795002 981875844 /nfs/dbraw/zinc/87/58/44/981875844.db2.gz WUOHBMFSMGSVGI-LBPRGKRZSA-N -1 0 306.406 3.650 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC001594796632 981878127 /nfs/dbraw/zinc/87/81/27/981878127.db2.gz HACAMLIBUUCXJG-YMAMQOFZSA-N -1 0 324.465 3.630 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(C4CC4)cc3F)(CC1)C2 ZINC000910354544 981887607 /nfs/dbraw/zinc/88/76/07/981887607.db2.gz MLFKRFANRBTFCS-UHFFFAOYSA-N -1 0 317.360 3.677 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594800758 981889622 /nfs/dbraw/zinc/88/96/22/981889622.db2.gz ISQMJLXWOUGADG-UHFFFAOYSA-N -1 0 312.797 3.986 20 0 DHADRM C[C@H](CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C)(C)C ZINC000910385586 981910085 /nfs/dbraw/zinc/91/00/85/981910085.db2.gz QCLBZCPHBFOLJA-NLNFPOJYSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(C)(C)OCC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001594808613 981920611 /nfs/dbraw/zinc/92/06/11/981920611.db2.gz UUMAPENICWWWDU-UHFFFAOYSA-N -1 0 316.353 3.649 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001594814378 981937421 /nfs/dbraw/zinc/93/74/21/981937421.db2.gz KZGSAQSJKSWRKQ-INIZCTEOSA-N -1 0 317.429 3.844 20 0 DHADRM CCCC[C@H](Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-] ZINC001595642178 981971482 /nfs/dbraw/zinc/97/14/82/981971482.db2.gz JDVQLJZKCPUKLA-LBPRGKRZSA-N -1 0 301.333 3.694 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1C(C)C ZINC000910521885 981983222 /nfs/dbraw/zinc/98/32/22/981983222.db2.gz ITZQACCSCDKXCV-GFCCVEGCSA-N -1 0 307.390 3.648 20 0 DHADRM CCCC[C@@H](OC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC001595645735 981991860 /nfs/dbraw/zinc/99/18/60/981991860.db2.gz KPKYUSNPUHEWGN-RKDXNWHRSA-N -1 0 304.795 3.692 20 0 DHADRM CCCC[C@@H](S[C@H](C)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001595651286 982019662 /nfs/dbraw/zinc/01/96/62/982019662.db2.gz DTZCARHWYQTQDA-BXKDBHETSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccccc1CC)C(=O)[O-] ZINC001595652500 982034167 /nfs/dbraw/zinc/03/41/67/982034167.db2.gz UIWVEBNHKLWRCM-IUODEOHRSA-N -1 0 323.458 3.953 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccccc1CC)C(=O)[O-] ZINC001595652498 982034514 /nfs/dbraw/zinc/03/45/14/982034514.db2.gz UIWVEBNHKLWRCM-DOMZBBRYSA-N -1 0 323.458 3.953 20 0 DHADRM CCCCC1(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CC1 ZINC001595657419 982062932 /nfs/dbraw/zinc/06/29/32/982062932.db2.gz RXZPLMBAVOZYHH-UHFFFAOYSA-N -1 0 304.386 3.925 20 0 DHADRM CCCC[C@@H](Sc1cc(C(F)F)nc(SC)n1)C(=O)[O-] ZINC001595657661 982064741 /nfs/dbraw/zinc/06/47/41/982064741.db2.gz PUJTYUBMFMITOT-MRVPVSSYSA-N -1 0 322.402 3.872 20 0 DHADRM CCCC[C@H](SCc1csc([C@@H](C)OC)n1)C(=O)[O-] ZINC001595657680 982065470 /nfs/dbraw/zinc/06/54/70/982065470.db2.gz QCENZCXRUBUUGX-KOLCDFICSA-N -1 0 303.449 3.727 20 0 DHADRM CCCCC1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001595660234 982069653 /nfs/dbraw/zinc/06/96/53/982069653.db2.gz BJQCGLUOSLALQK-SJJHQCBESA-N -1 0 323.477 3.990 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)CC ZINC000910700984 982070764 /nfs/dbraw/zinc/07/07/64/982070764.db2.gz OXPHMTLFMCKSQK-GBLFQTLVSA-N -1 0 308.403 3.816 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C2\CC[C@H](C)C2)nc1C(=O)[O-] ZINC000910700934 982071136 /nfs/dbraw/zinc/07/11/36/982071136.db2.gz MWERBMZYSGUGMU-HZAKCSEPSA-N -1 0 308.403 3.650 20 0 DHADRM CCCCC1CCC(CNC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001595661449 982075899 /nfs/dbraw/zinc/07/58/99/982075899.db2.gz UGRDKNIWAQEQTP-UHFFFAOYSA-N -1 0 318.417 3.506 20 0 DHADRM CC(C)c1sc(NC(=O)c2ccc(CF)cc2)nc1C(=O)[O-] ZINC000910706931 982076077 /nfs/dbraw/zinc/07/60/77/982076077.db2.gz URBGQSDOHFYQSD-UHFFFAOYSA-N -1 0 322.361 3.687 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595666028 982095303 /nfs/dbraw/zinc/09/53/03/982095303.db2.gz CMGXTLHLSUDZRY-LLVKDONJSA-N -1 0 306.406 3.942 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741066 982102836 /nfs/dbraw/zinc/10/28/36/982102836.db2.gz DVLLFKBFBAOMCR-CQSZACIVSA-N -1 0 314.382 3.576 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595666841 982108184 /nfs/dbraw/zinc/10/81/84/982108184.db2.gz UOAHOACYQFPVSP-LLVKDONJSA-N -1 0 312.435 3.705 20 0 DHADRM CCCCC[C@H](C)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595667072 982110273 /nfs/dbraw/zinc/11/02/73/982110273.db2.gz ZKDOLTJXFUMNLY-LBPRGKRZSA-N -1 0 308.374 3.905 20 0 DHADRM CCCCC[C@H](NC(=O)/C(C)=C\c1ccccc1Cl)C(=O)[O-] ZINC001595670527 982119433 /nfs/dbraw/zinc/11/94/33/982119433.db2.gz RBPOKFDCEUTNNV-SSCKCOOKSA-N -1 0 323.820 3.893 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cnccc1-c1ccccc1 ZINC000910802706 982124118 /nfs/dbraw/zinc/12/41/18/982124118.db2.gz NDFSNCLQVKVNLB-JKSUJKDBSA-N -1 0 324.380 3.578 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cnccc1-c1ccccc1 ZINC000910802988 982124193 /nfs/dbraw/zinc/12/41/93/982124193.db2.gz XNKULVWJIKXDRU-UHFFFAOYSA-N -1 0 312.369 3.578 20 0 DHADRM CCCCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)C(C)(C)C ZINC001595672599 982135473 /nfs/dbraw/zinc/13/54/73/982135473.db2.gz NFAAFADKJVASFL-AWEZNQCLSA-N -1 0 321.421 3.896 20 0 DHADRM CC/C(C)=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594860540 982138435 /nfs/dbraw/zinc/13/84/35/982138435.db2.gz JLWULWFGFHRYQH-DVFVSVACSA-N -1 0 317.429 3.972 20 0 DHADRM CCCCC[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001595672929 982138484 /nfs/dbraw/zinc/13/84/84/982138484.db2.gz VTQYTGVKJSWHNZ-GDBMZVCRSA-N -1 0 305.418 3.720 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595672866 982138561 /nfs/dbraw/zinc/13/85/61/982138561.db2.gz UZHLLPOUHPKBGT-NVXWUHKLSA-N -1 0 317.429 3.646 20 0 DHADRM CC/C(C)=C\C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594861031 982143456 /nfs/dbraw/zinc/14/34/56/982143456.db2.gz VKJMOGUHFVKIRV-BLIJAFNYSA-N -1 0 309.793 3.502 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594861154 982144361 /nfs/dbraw/zinc/14/43/61/982144361.db2.gz ASARFAKJUKAFSX-LLNWESEBSA-N -1 0 303.402 3.701 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2c(o1)c(F)ccc2C)C(=O)[O-] ZINC001595676536 982147936 /nfs/dbraw/zinc/14/79/36/982147936.db2.gz MFTVCKQXMSCHPT-CYBMUJFWSA-N -1 0 321.348 3.644 20 0 DHADRM CCCCC[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001595682993 982168828 /nfs/dbraw/zinc/16/88/28/982168828.db2.gz IIYWYBDDZFYFHI-AWEZNQCLSA-N -1 0 318.442 3.933 20 0 DHADRM CSc1ccc(NC(=O)CC2=CCCCC2)cc1C(=O)[O-] ZINC000910948952 982173343 /nfs/dbraw/zinc/17/33/43/982173343.db2.gz BYUJTADFIZDNQX-UHFFFAOYSA-N -1 0 305.399 3.936 20 0 DHADRM CCCCC[C@H](Nc1nc(-c2cccc(C)c2)ns1)C(=O)[O-] ZINC001595686870 982177041 /nfs/dbraw/zinc/17/70/41/982177041.db2.gz IPJSRAZJDHDAQM-ZDUSSCGKSA-N -1 0 319.430 3.959 20 0 DHADRM CCCCCC[C@H](C)C(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001595695380 982218596 /nfs/dbraw/zinc/21/85/96/982218596.db2.gz URRHQRHDEZCECT-NSHDSACASA-N -1 0 312.435 3.801 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595695644 982220445 /nfs/dbraw/zinc/22/04/45/982220445.db2.gz ZXQFEHBTQGPXSM-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)[C@H](C)CC(=O)[O-] ZINC001595709201 982291789 /nfs/dbraw/zinc/29/17/89/982291789.db2.gz VQKYAFXPHRERGQ-CYBMUJFWSA-N -1 0 309.406 3.608 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595710852 982295685 /nfs/dbraw/zinc/29/56/85/982295685.db2.gz LJZAKGFJMGTZRB-ZDUSSCGKSA-N -1 0 307.390 3.617 20 0 DHADRM CCC1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000911246041 982310214 /nfs/dbraw/zinc/31/02/14/982310214.db2.gz QPLSSPSSPWSVST-GFCCVEGCSA-N -1 0 321.442 3.514 20 0 DHADRM CCCCCc1ccc(NC(=S)NCCCC(=O)[O-])cc1 ZINC001595728464 982360968 /nfs/dbraw/zinc/36/09/68/982360968.db2.gz WEJOAEMHUSSVSN-UHFFFAOYSA-N -1 0 308.447 3.571 20 0 DHADRM Cc1ccc2cccc(NC(=O)CC3(C(=O)[O-])CCCC3)c2n1 ZINC000389948048 1014832032 /nfs/dbraw/zinc/83/20/32/1014832032.db2.gz MWXAHIHBXSDJRX-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM CCCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccn1 ZINC001595735438 982377744 /nfs/dbraw/zinc/37/77/44/982377744.db2.gz FQFRSEKUBWLQHO-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM CCCCN(CC(F)(F)F)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595741093 982400031 /nfs/dbraw/zinc/40/00/31/982400031.db2.gz CCCCNOPQBQILNJ-MRVPVSSYSA-N -1 0 310.341 3.567 20 0 DHADRM CCS[C@@H](C)c1noc(-c2cc(Cl)c(O)c(OC)c2)n1 ZINC000443221511 1014849064 /nfs/dbraw/zinc/84/90/64/1014849064.db2.gz LLCFVSTULHVSJG-ZETCQYMHSA-N -1 0 314.794 3.918 20 0 DHADRM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001594928699 982540556 /nfs/dbraw/zinc/54/05/56/982540556.db2.gz LYVDUXHUJYWNEI-BZNIZROVSA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-] ZINC001594930082 982550448 /nfs/dbraw/zinc/55/04/48/982550448.db2.gz VMZLYHXEHBFCDR-AAEUAGOBSA-N -1 0 320.414 3.945 20 0 DHADRM CCCCOc1ccccc1NCc1ccc(C(=O)[O-])n1C ZINC001595781256 982561444 /nfs/dbraw/zinc/56/14/44/982561444.db2.gz VZHXTRMSNCUMOE-UHFFFAOYSA-N -1 0 302.374 3.514 20 0 DHADRM CC[C@@H](C)CC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594934490 982579613 /nfs/dbraw/zinc/57/96/13/982579613.db2.gz JTKLFRVSQQTVCK-RNCFNFMXSA-N -1 0 318.291 3.968 20 0 DHADRM CC[C@H](C)CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001594935525 982586646 /nfs/dbraw/zinc/58/66/46/982586646.db2.gz XICYDPQOQSTAMJ-VIFPVBQESA-N -1 0 310.419 3.874 20 0 DHADRM CCCCc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001595797471 982606580 /nfs/dbraw/zinc/60/65/80/982606580.db2.gz WLPAMWSUEHDKDK-ZRDIBKRKSA-N -1 0 313.353 3.972 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001594940207 982612741 /nfs/dbraw/zinc/61/27/41/982612741.db2.gz YZNLAJKXOSBYTH-UAGQMJEPSA-N -1 0 319.445 3.822 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737726 982620053 /nfs/dbraw/zinc/62/00/53/982620053.db2.gz IAKFAIZJWQBHBV-LBPRGKRZSA-N -1 0 307.390 3.793 20 0 DHADRM CC(C)Oc1c(NC(=O)C[C@@H](C)C2CC2)cccc1C(=O)[O-] ZINC000911738260 982620848 /nfs/dbraw/zinc/62/08/48/982620848.db2.gz AKLVAKGPQFVEKF-LLVKDONJSA-N -1 0 305.374 3.547 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(C)c(Cl)cc1C)C(=O)[O-] ZINC001594944749 982628286 /nfs/dbraw/zinc/62/82/86/982628286.db2.gz IWBNFWYBQOBOEP-OTYXRUKQSA-N -1 0 311.809 3.576 20 0 DHADRM CCCCn1ncc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c1C(C)C ZINC001595809917 982641254 /nfs/dbraw/zinc/64/12/54/982641254.db2.gz DKZPTKFRAKVBHU-BYNSBNAKSA-N -1 0 319.449 3.718 20 0 DHADRM CC[C@H](C)CCCCC(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001594959165 982704404 /nfs/dbraw/zinc/70/44/04/982704404.db2.gz MRLPVRVQCJMDFW-JTQLQIEISA-N -1 0 313.419 3.799 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001594959561 982708132 /nfs/dbraw/zinc/70/81/32/982708132.db2.gz YCKYGFZHXSSPBK-CYBMUJFWSA-N -1 0 303.402 3.880 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C[C@@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000923075665 982708303 /nfs/dbraw/zinc/70/83/03/982708303.db2.gz LHQFTMOBWRCCCO-UONOGXRCSA-N -1 0 301.386 3.635 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000923090756 982716597 /nfs/dbraw/zinc/71/65/97/982716597.db2.gz KIHFUZXIXHYYLT-JTQLQIEISA-N -1 0 313.419 3.535 20 0 DHADRM CC(C)(C(=O)NCCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000923126195 982744057 /nfs/dbraw/zinc/74/40/57/982744057.db2.gz HWFFCTDBARWPRI-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)O[C@H](CCSC)C(=O)[O-])cc1 ZINC001595009519 982934471 /nfs/dbraw/zinc/93/44/71/982934471.db2.gz IDWHWXCGQMDWJH-BXUZGUMPSA-N -1 0 310.415 3.563 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009963 982937826 /nfs/dbraw/zinc/93/78/26/982937826.db2.gz MJIYBLYDNDLFFF-ZDUSSCGKSA-N -1 0 311.381 3.828 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC001595014985 982957869 /nfs/dbraw/zinc/95/78/69/982957869.db2.gz ZIKPXUPBRCNMQB-LLVKDONJSA-N -1 0 316.357 3.813 20 0 DHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000443424643 1014910718 /nfs/dbraw/zinc/91/07/18/1014910718.db2.gz VMNFTBAUAXBGPU-UHFFFAOYSA-N -1 0 318.442 3.742 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656605255 1014916876 /nfs/dbraw/zinc/91/68/76/1014916876.db2.gz QKTACZPBCJUAPH-UHFFFAOYSA-N -1 0 316.401 3.801 20 0 DHADRM CCCOc1ccc(Cl)cc1NCc1ccc(C(=O)[O-])n1C ZINC001595962039 983163472 /nfs/dbraw/zinc/16/34/72/983163472.db2.gz WMLZAZRYNVCUKO-UHFFFAOYSA-N -1 0 322.792 3.778 20 0 DHADRM CCCc1c(C(=O)N(C)C[C@H](C)C(C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596029409 983294384 /nfs/dbraw/zinc/29/43/84/983294384.db2.gz KHDNLPRPCJGEAB-NSHDSACASA-N -1 0 322.449 3.728 20 0 DHADRM CCCc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])ccc1Cl ZINC001596053230 983353670 /nfs/dbraw/zinc/35/36/70/983353670.db2.gz MGZMUIMWOOJXAT-NHYWBVRUSA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])ccc1Cl ZINC001596055720 983359598 /nfs/dbraw/zinc/35/95/98/983359598.db2.gz XZRYAUYTCOYQBS-AWEZNQCLSA-N -1 0 323.820 3.523 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC001596063142 983374204 /nfs/dbraw/zinc/37/42/04/983374204.db2.gz RQPNFTOIKQPMQV-UHFFFAOYSA-N -1 0 307.346 3.790 20 0 DHADRM CCCc1ccc(Cn2nc(C)c([C@@H](C)C(=O)[O-])c2C)cc1 ZINC001596065442 983380874 /nfs/dbraw/zinc/38/08/74/983380874.db2.gz YWIOHKWFBPXWGA-GFCCVEGCSA-N -1 0 300.402 3.689 20 0 DHADRM CCCn1ncc(NCc2cc(C(=O)[O-])oc2CC)c1C1CC1 ZINC001596120451 983454644 /nfs/dbraw/zinc/45/46/44/983454644.db2.gz MKVZOSPJMAUXRR-UHFFFAOYSA-N -1 0 317.389 3.636 20 0 DHADRM CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596130689 983476570 /nfs/dbraw/zinc/47/65/70/983476570.db2.gz ATWLXFAHXIHRSV-CHWSQXEVSA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131739 983479515 /nfs/dbraw/zinc/47/95/15/983479515.db2.gz RMFMJUJTHDELGR-JEBQAFNWSA-N -1 0 323.392 3.787 20 0 DHADRM CCN(C(=O)C[C@@H](C)c1ccco1)c1ccccc1C(=O)[O-] ZINC001596133295 983481575 /nfs/dbraw/zinc/48/15/75/983481575.db2.gz IPZLJTXFATZYKU-GFCCVEGCSA-N -1 0 301.342 3.525 20 0 DHADRM Cc1ccccc1C1(C(=O)N(C)CCCC(=O)[O-])CCCCC1 ZINC000237254005 1014949808 /nfs/dbraw/zinc/94/98/08/1014949808.db2.gz XZFHTZHYOMYVQF-UHFFFAOYSA-N -1 0 317.429 3.520 20 0 DHADRM Cc1ccc([C@H](C)Oc2n[n-]c(=O)cc2Br)c(C)c1 ZINC001226850328 1014950685 /nfs/dbraw/zinc/95/06/85/1014950685.db2.gz UWPGULWYHMGMSQ-JTQLQIEISA-N -1 0 323.190 3.702 20 0 DHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001596143603 983497725 /nfs/dbraw/zinc/49/77/25/983497725.db2.gz QXJQEIUIKAAYDC-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc(C)c1C ZINC001596161540 983525670 /nfs/dbraw/zinc/52/56/70/983525670.db2.gz ZRSZJIUBVNRVCX-UHFFFAOYSA-N -1 0 314.385 3.613 20 0 DHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1C ZINC001596164299 983526758 /nfs/dbraw/zinc/52/67/58/983526758.db2.gz LGIVLGVUZCSKHB-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001596165620 983530478 /nfs/dbraw/zinc/53/04/78/983530478.db2.gz WTWSHPQIIMOYQX-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cc(C)ccc1C ZINC001596167298 983531764 /nfs/dbraw/zinc/53/17/64/983531764.db2.gz NELYWHNUGPNFPX-NTMALXAHSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)c1cccc2c1CCCC2)c1ccccc1C(=O)[O-] ZINC001596170621 983535911 /nfs/dbraw/zinc/53/59/11/983535911.db2.gz KNVXDNHECPHKJD-UHFFFAOYSA-N -1 0 323.392 3.930 20 0 DHADRM O=C(NCc1ccc(C2CC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000191309406 1014972492 /nfs/dbraw/zinc/97/24/92/1014972492.db2.gz MDXDPYYZYDYFCX-UHFFFAOYSA-N -1 0 301.773 3.853 20 0 DHADRM O=S(=O)([N-]c1ccc(C(F)F)nc1)c1ccc(C2CC2)cc1 ZINC000656633503 1014975671 /nfs/dbraw/zinc/97/56/71/1014975671.db2.gz CJMLZHZKDYZTIZ-UHFFFAOYSA-N -1 0 324.352 3.697 20 0 DHADRM C=C/C(C)=C/CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588683840 983852579 /nfs/dbraw/zinc/85/25/79/983852579.db2.gz FTJAYDNHOCSISY-FMIVXFBMSA-N -1 0 303.358 3.633 20 0 DHADRM CCN(Cc1ccccc1F)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596371403 983869160 /nfs/dbraw/zinc/86/91/60/983869160.db2.gz BXOKIUJKIDMEDI-JTQLQIEISA-N -1 0 308.378 3.564 20 0 DHADRM CCOC(=O)C(C)(C)CCC[C@@H](C)Nc1cccc(C(=O)[O-])c1 ZINC001596512577 984286837 /nfs/dbraw/zinc/28/68/37/984286837.db2.gz SLUMFTSHEHQIOV-CYBMUJFWSA-N -1 0 321.417 3.945 20 0 DHADRM C=COc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001588914518 984558900 /nfs/dbraw/zinc/55/89/00/984558900.db2.gz ZUWFAXPIWACWIG-UHFFFAOYSA-N -1 0 318.373 3.508 20 0 DHADRM C=Cc1ccc(CCNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001588921465 984578551 /nfs/dbraw/zinc/57/85/51/984578551.db2.gz GEFWIUDRFOPUAQ-UHFFFAOYSA-N -1 0 302.761 3.731 20 0 DHADRM C=Cc1ccccc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588921550 984579263 /nfs/dbraw/zinc/57/92/63/984579263.db2.gz HSLHCUDTIGJAEZ-UHFFFAOYSA-N -1 0 322.364 3.618 20 0 DHADRM C/C(=C/C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1C ZINC001588938412 984621909 /nfs/dbraw/zinc/62/19/09/984621909.db2.gz AVTNXERIHDSYPF-ZROIWOOFSA-N -1 0 321.376 3.639 20 0 DHADRM C/C(=C\C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001588945653 984653130 /nfs/dbraw/zinc/65/31/30/984653130.db2.gz LDVZBOVIHVZSIB-CMPYXILNSA-N -1 0 309.365 3.917 20 0 DHADRM C/C(=C/C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001588945655 984653471 /nfs/dbraw/zinc/65/34/71/984653471.db2.gz LDVZBOVIHVZSIB-FZDNWWAKSA-N -1 0 309.365 3.917 20 0 DHADRM C/C(=C\C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001588945661 984653474 /nfs/dbraw/zinc/65/34/74/984653474.db2.gz LDVZBOVIHVZSIB-YPDDLIOESA-N -1 0 309.365 3.917 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC001599890350 984686323 /nfs/dbraw/zinc/68/63/23/984686323.db2.gz LJMDNMWFRIYHIJ-SECBINFHSA-N -1 0 308.330 3.574 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599891487 984699077 /nfs/dbraw/zinc/69/90/77/984699077.db2.gz RFBYYCOJKRGTFC-GFCCVEGCSA-N -1 0 321.392 3.998 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588956194 984702629 /nfs/dbraw/zinc/70/26/29/984702629.db2.gz IPNSOKJCOQSFAI-FYWRMAATSA-N -1 0 321.461 3.862 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001599891810 984703697 /nfs/dbraw/zinc/70/36/97/984703697.db2.gz WGRRKLHDNLRASM-LLVKDONJSA-N -1 0 304.390 3.512 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001588956452 984704263 /nfs/dbraw/zinc/70/42/63/984704263.db2.gz PMMUYUVBDYNJKI-OWBHPGMISA-N -1 0 307.434 3.615 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588956437 984704400 /nfs/dbraw/zinc/70/44/00/984704400.db2.gz OXVFBGGJYVYLDL-LLNWESEBSA-N -1 0 317.429 3.947 20 0 DHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001599902464 984863851 /nfs/dbraw/zinc/86/38/51/984863851.db2.gz HBMOKEIJPGBWPU-YFKPBYRVSA-N -1 0 318.732 3.946 20 0 DHADRM C[C@H](OC(=O)CCc1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001599903880 984896960 /nfs/dbraw/zinc/89/69/60/984896960.db2.gz OBOQXKUSBWHRDE-LBPRGKRZSA-N -1 0 316.328 3.761 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(F)F)o1)c1ccc(C(=O)[O-])cc1 ZINC001599904412 984904044 /nfs/dbraw/zinc/90/40/44/984904044.db2.gz XLLXCDIVSSINKV-QMMMGPOBSA-N -1 0 310.252 3.833 20 0 DHADRM C/C(=C/COc1c(Cl)cc(Cl)c2cccnc21)C(=O)[O-] ZINC001588990694 984911718 /nfs/dbraw/zinc/91/17/18/984911718.db2.gz FPLZYQPYGCDADQ-YWEYNIOJSA-N -1 0 312.152 3.951 20 0 DHADRM C/C(=C/CSc1nc2cc(F)cc(Cl)c2o1)C(=O)[O-] ZINC001588990797 984911765 /nfs/dbraw/zinc/91/17/65/984911765.db2.gz HDDCCRUKZCNGHD-KXFIGUGUSA-N -1 0 301.726 3.743 20 0 DHADRM C[C@@H]1C[C@@H](Nc2cccc3cc(C(=O)[O-])sc32)C[C@H](C)O1 ZINC001599905288 984914164 /nfs/dbraw/zinc/91/41/64/984914164.db2.gz FGJLKJTYBDXKCL-PEGIJTEDSA-N -1 0 305.399 3.967 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Oc2ccc(CC(=O)[O-])cc2F)C1(C)C ZINC001599907913 984947578 /nfs/dbraw/zinc/94/75/78/984947578.db2.gz HNYQVJXFXPJLDZ-VOJFVSQTSA-N -1 0 322.376 3.821 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001589004154 984962146 /nfs/dbraw/zinc/96/21/46/984962146.db2.gz YZXJCFNVPQESJR-FPAJZGIOSA-N -1 0 323.820 3.749 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589010660 984981557 /nfs/dbraw/zinc/98/15/57/984981557.db2.gz OTZCELKTDPPQHL-QXMHVHEDSA-N -1 0 313.353 3.684 20 0 DHADRM CC(=O)[C@@H](C)S[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589022696 985018027 /nfs/dbraw/zinc/01/80/27/985018027.db2.gz DIILNAOWROLHSM-LDYMZIIASA-N -1 0 306.305 3.542 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1)C(=O)[O-] ZINC000909519285 1015092745 /nfs/dbraw/zinc/09/27/45/1015092745.db2.gz GXJUOIHZCDXEER-UONOGXRCSA-N -1 0 301.386 3.635 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001589035870 985091822 /nfs/dbraw/zinc/09/18/22/985091822.db2.gz ZJNCKKYRKZQNDY-UHFFFAOYSA-N -1 0 319.401 3.870 20 0 DHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1 ZINC000656737813 1015108772 /nfs/dbraw/zinc/10/87/72/1015108772.db2.gz AVXBQZDRZHSQIQ-UHFFFAOYSA-N -1 0 316.426 3.685 20 0 DHADRM CCO[C@@H](CCNc1nc(C(=O)[O-])c(C)s1)C1CCCC1 ZINC001596783827 985243540 /nfs/dbraw/zinc/24/35/40/985243540.db2.gz BFFMFWARSXEBNL-LBPRGKRZSA-N -1 0 312.435 3.547 20 0 DHADRM CCO[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)C1CCCC1 ZINC001596789234 985256602 /nfs/dbraw/zinc/25/66/02/985256602.db2.gz AEXNVHIPAORJKG-AWEZNQCLSA-N -1 0 316.357 3.703 20 0 DHADRM C[C@]1(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)C[C@@H]1c1ccccc1 ZINC001599938008 985420139 /nfs/dbraw/zinc/42/01/39/985420139.db2.gz UVBDVQIBXMWGIP-CPUCHLNUSA-N -1 0 316.378 3.611 20 0 DHADRM Cc1[nH]c(-c2csc(N3CCC(C)CC3)n2)c(C)c1C(=O)[O-] ZINC001599941118 985455722 /nfs/dbraw/zinc/45/57/22/985455722.db2.gz JRHPQOBKHCGPEH-UHFFFAOYSA-N -1 0 319.430 3.690 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001594479508 985516956 /nfs/dbraw/zinc/51/69/56/985516956.db2.gz LOGPOAVYXJSLOK-HCKVZZMMSA-N -1 0 320.364 3.566 20 0 DHADRM CCO[C@@H]1C[C@H](Nc2nc(C(=O)[O-])c(C)s2)C1(CC)CC ZINC001596843493 985534281 /nfs/dbraw/zinc/53/42/81/985534281.db2.gz SDXPQXLDLFOSBG-WDEREUQCSA-N -1 0 312.435 3.545 20 0 DHADRM Cc1[nH]c(C(=O)COc2ccc3ccccc3c2)c(C)c1C(=O)[O-] ZINC001599947227 985548732 /nfs/dbraw/zinc/54/87/32/985548732.db2.gz FEKLZWRKHFJKII-UHFFFAOYSA-N -1 0 323.348 3.745 20 0 DHADRM CCO[C@@H]1CCC[C@@H](Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001596852506 985585537 /nfs/dbraw/zinc/58/55/37/985585537.db2.gz DUGQWJKJMVXMPD-DGCLKSJQSA-N -1 0 309.431 3.866 20 0 DHADRM Cc1[nH]c(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599951605 985617410 /nfs/dbraw/zinc/61/74/10/985617410.db2.gz VTRLGNPLNGHODJ-GWCFXTLKSA-N -1 0 320.433 3.617 20 0 DHADRM CC(=O)Nc1cccc(CSCc2ccc(C(=O)[O-])cc2)c1 ZINC001589210187 985689184 /nfs/dbraw/zinc/68/91/84/985689184.db2.gz ASHQDOGDJWYRHE-UHFFFAOYSA-N -1 0 315.394 3.777 20 0 DHADRM Cc1[nH]c(C(=O)O[C@@H](C)c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC001599960303 985768628 /nfs/dbraw/zinc/76/86/28/985768628.db2.gz FWUQNUBZHYZPJM-VIFPVBQESA-N -1 0 323.295 3.526 20 0 DHADRM Cc1[nH]c(CNc2ccc(CC(F)(F)F)cc2)cc1C(=O)[O-] ZINC001599964159 985862610 /nfs/dbraw/zinc/86/26/10/985862610.db2.gz YDGLYDPJQKEMRO-UHFFFAOYSA-N -1 0 312.291 3.738 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OC[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001589268561 985955388 /nfs/dbraw/zinc/95/53/88/985955388.db2.gz UVLJFWRRWSYQDY-AAEUAGOBSA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1ccc(F)cc1OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589283769 986013405 /nfs/dbraw/zinc/01/34/05/986013405.db2.gz IBSJIVDCQTXWMC-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM Cc1c(Br)cccc1CSC[C@@H](C)C(=O)[O-] ZINC001599972527 986031393 /nfs/dbraw/zinc/03/13/93/986031393.db2.gz NWUAAJJSBJPHLA-MRVPVSSYSA-N -1 0 303.221 3.711 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001599975563 986084593 /nfs/dbraw/zinc/08/45/93/986084593.db2.gz GDFBSFZZMLPMFK-GFCCVEGCSA-N -1 0 315.369 3.517 20 0 DHADRM CCOCc1ccc(-c2ccc(CC(=O)[O-])cc2OC)cc1F ZINC001596946300 986093905 /nfs/dbraw/zinc/09/39/05/986093905.db2.gz HOHDCNLGXOVVAO-UHFFFAOYSA-N -1 0 318.344 3.665 20 0 DHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2O1 ZINC001594538319 986166483 /nfs/dbraw/zinc/16/64/83/986166483.db2.gz LYVFVYWYLPMWGE-NSHDSACASA-N -1 0 317.772 3.826 20 0 DHADRM C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])[C@@H](C)C(C)(C)C ZINC001589342681 986271581 /nfs/dbraw/zinc/27/15/81/986271581.db2.gz QGBLMBTYWJKZQX-RBSFLKMASA-N -1 0 319.445 3.807 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001597008768 986336700 /nfs/dbraw/zinc/33/67/00/986336700.db2.gz DHRITHLSTMWQRC-ZDUSSCGKSA-N -1 0 317.385 3.859 20 0 DHADRM C[C@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001589358392 986348399 /nfs/dbraw/zinc/34/83/99/986348399.db2.gz ASOTUXRIPNPFHK-ZDUSSCGKSA-N -1 0 315.413 3.880 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CC1CCCC1 ZINC001597010250 986350147 /nfs/dbraw/zinc/35/01/47/986350147.db2.gz XGGDPBUGEJTJKB-GFCCVEGCSA-N -1 0 319.401 3.938 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2[nH]ccc2c1 ZINC001597026388 986434196 /nfs/dbraw/zinc/43/41/96/986434196.db2.gz WTDDDXBGNOQGOJ-UHFFFAOYSA-N -1 0 324.336 3.517 20 0 DHADRM C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)Cc2ccccc21 ZINC001594583621 986450148 /nfs/dbraw/zinc/45/01/48/986450148.db2.gz KWFGIDOFIMYHFG-QMMMGPOBSA-N -1 0 308.790 3.618 20 0 DHADRM CCOc1cc(C)ccc1NC(=O)NCCCCCCC(=O)[O-] ZINC001597033479 986463868 /nfs/dbraw/zinc/46/38/68/986463868.db2.gz XFUHUWPMPWYDEZ-UHFFFAOYSA-N -1 0 322.405 3.550 20 0 DHADRM CC(C)c1ccc(SCC(=O)[N-]OCc2ccccn2)cc1 ZINC000909525566 1015231413 /nfs/dbraw/zinc/23/14/13/1015231413.db2.gz GWGICYZNEHTIKT-UHFFFAOYSA-N -1 0 316.426 3.545 20 0 DHADRM C[C@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccco1 ZINC001589429316 986708465 /nfs/dbraw/zinc/70/84/65/986708465.db2.gz NMFBIVMSDVAHHV-NSHDSACASA-N -1 0 309.321 3.873 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)[C@H](C)C(C)(C)C ZINC001589429781 986712459 /nfs/dbraw/zinc/71/24/59/986712459.db2.gz PYBTYDXNHIGKSI-BDAKNGLRSA-N -1 0 313.344 3.920 20 0 DHADRM C[C@@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])C1CCCC1 ZINC001589430669 986719721 /nfs/dbraw/zinc/71/97/21/986719721.db2.gz UXFGFELKLSIVMS-MRVPVSSYSA-N -1 0 313.756 3.942 20 0 DHADRM CCOc1ccc(NC(=O)C[C@@H]2C=CCCC2)c(C(=O)[O-])c1F ZINC001597111595 986767899 /nfs/dbraw/zinc/76/78/99/986767899.db2.gz GTEQSIUCGIUEBX-LLVKDONJSA-N -1 0 321.348 3.608 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H](C)C(C)(C)C ZINC001589440282 986784546 /nfs/dbraw/zinc/78/45/46/986784546.db2.gz VJIZGNSWQSPQPM-OLZOCXBDSA-N -1 0 305.418 3.961 20 0 DHADRM CCOc1ccc(OC)cc1NCc1ccc(C(=O)[O-])c(C)c1 ZINC001597130709 986850691 /nfs/dbraw/zinc/85/06/91/986850691.db2.gz VRENFTWFCTYMIB-UHFFFAOYSA-N -1 0 315.369 3.713 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 ZINC001589454460 986879546 /nfs/dbraw/zinc/87/95/46/986879546.db2.gz NYCKOEKCCLXCND-TWRYWWQQSA-N -1 0 317.429 3.637 20 0 DHADRM CCOc1ccc2[nH]c(S[C@H](CC(C)C)C(=O)[O-])nc2c1 ZINC001597145951 986908092 /nfs/dbraw/zinc/90/80/92/986908092.db2.gz PRPJNHPHXZGCQS-CYBMUJFWSA-N -1 0 308.403 3.553 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 ZINC001589469835 986948725 /nfs/dbraw/zinc/94/87/25/986948725.db2.gz ZKWZEVNNFIFMDJ-BLLLJJGKSA-N -1 0 316.401 3.524 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 ZINC001589469838 986948924 /nfs/dbraw/zinc/94/89/24/986948924.db2.gz ZKWZEVNNFIFMDJ-WBMJQRKESA-N -1 0 316.401 3.524 20 0 DHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C(=O)[O-])s1 ZINC001594665709 986960108 /nfs/dbraw/zinc/96/01/08/986960108.db2.gz JVZHBXFEUXXPOY-VIFPVBQESA-N -1 0 323.364 3.844 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)CCCc1ccc(Cl)cc1)C1CCC1 ZINC001589471211 986961110 /nfs/dbraw/zinc/96/11/10/986961110.db2.gz HHXXPXCGQDELMP-GFCCVEGCSA-N -1 0 323.820 3.517 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2cc(Cl)ccc2o1)C1CCC1 ZINC001589477127 986980765 /nfs/dbraw/zinc/98/07/65/986980765.db2.gz LLRZPTPCISEALD-SECBINFHSA-N -1 0 321.760 3.554 20 0 DHADRM CC/C(=C/C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001594690812 987083699 /nfs/dbraw/zinc/08/36/99/987083699.db2.gz CJOVFUANEYWDIF-QYMJWVLRSA-N -1 0 321.804 3.599 20 0 DHADRM CC/C(=C\C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001594690888 987084633 /nfs/dbraw/zinc/08/46/33/987084633.db2.gz LEWIXQLFNIGLDR-WSYSLRRZSA-N -1 0 317.429 3.794 20 0 DHADRM CC/C(=C/C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691359 987089570 /nfs/dbraw/zinc/08/95/70/987089570.db2.gz RQVNGCXCOOGNTJ-WQTVUKCASA-N -1 0 321.804 3.503 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C(F)F)CCCC2)cc1 ZINC001589502631 987104483 /nfs/dbraw/zinc/10/44/83/987104483.db2.gz HFBBCWVMOIAZBE-JTQLQIEISA-N -1 0 311.328 3.639 20 0 DHADRM CC/C(=C\C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(C)cc1 ZINC001594694174 987106850 /nfs/dbraw/zinc/10/68/50/987106850.db2.gz QIPSMQJRJGJNHU-JLHYYAGUSA-N -1 0 310.353 3.520 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC001589513853 987161370 /nfs/dbraw/zinc/16/13/70/987161370.db2.gz YQFCWFXKAYLLKQ-UONOGXRCSA-N -1 0 316.401 3.743 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3cnccc3c2)cc1 ZINC001589520815 987162863 /nfs/dbraw/zinc/16/28/63/987162863.db2.gz DICYIDKJNHBGOV-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM CCC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2C)cc1 ZINC001594710561 987170742 /nfs/dbraw/zinc/17/07/42/987170742.db2.gz PCAXUGQASNMYAP-QGZVFWFLSA-N -1 0 312.369 3.581 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 ZINC001589531314 987202309 /nfs/dbraw/zinc/20/23/09/987202309.db2.gz DBKGHQCWKATLPR-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3ncccc32)c1 ZINC001589531835 987207487 /nfs/dbraw/zinc/20/74/87/987207487.db2.gz LKBGRKQXOFPKIK-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCCC2(F)F)c1 ZINC001589532395 987214126 /nfs/dbraw/zinc/21/41/26/987214126.db2.gz CZULPRAGSHVVTP-ZYHUDNBSSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC001589532434 987214128 /nfs/dbraw/zinc/21/41/28/987214128.db2.gz DMTJPHRJVIWZPM-LLVKDONJSA-N -1 0 317.772 3.709 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCC(F)(F)F)c1 ZINC001589532432 987214179 /nfs/dbraw/zinc/21/41/79/987214179.db2.gz DMMJOBIJVLBPQQ-VIFPVBQESA-N -1 0 303.280 3.546 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cccc3c2NCCC3)c1 ZINC001589539062 987233231 /nfs/dbraw/zinc/23/32/31/987233231.db2.gz AUVSCSRCVWOSPG-ZDUSSCGKSA-N -1 0 310.397 3.845 20 0 DHADRM CC[C@@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001594729640 987244370 /nfs/dbraw/zinc/24/43/70/987244370.db2.gz JOOBOMWSXQCVAV-OAHLLOKOSA-N -1 0 305.418 3.528 20 0 DHADRM CC[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001594733504 987254609 /nfs/dbraw/zinc/25/46/09/987254609.db2.gz BSNIRJYFFNDYSY-SJORKVTESA-N -1 0 317.429 3.578 20 0 DHADRM C[C@H](C(=O)Oc1cccc2c(CC(=O)[O-])cccc12)c1ccco1 ZINC001589551975 987285016 /nfs/dbraw/zinc/28/50/16/987285016.db2.gz BFFISRJOTYNWDC-LBPRGKRZSA-N -1 0 324.332 3.769 20 0 DHADRM CCSc1ccc(-c2noc(-c3ccc(C(=O)[O-])o3)n2)cc1 ZINC001597270961 987315027 /nfs/dbraw/zinc/31/50/27/987315027.db2.gz MFRBMZXDMKWWMR-UHFFFAOYSA-N -1 0 316.338 3.807 20 0 DHADRM CCSc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001597272611 987322518 /nfs/dbraw/zinc/32/25/18/987322518.db2.gz GCRJKYPSAMSIGE-UHFFFAOYSA-N -1 0 301.367 3.749 20 0 DHADRM CCSc1ccc(CC(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001597273133 987326340 /nfs/dbraw/zinc/32/63/40/987326340.db2.gz RMVDDZYSTJKLMD-UHFFFAOYSA-N -1 0 322.426 3.528 20 0 DHADRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001589563703 987326363 /nfs/dbraw/zinc/32/63/63/987326363.db2.gz KZHWRAOIHXTJOX-UHFFFAOYSA-N -1 0 315.413 3.880 20 0 DHADRM CCSc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001597273649 987330895 /nfs/dbraw/zinc/33/08/95/987330895.db2.gz WXOVKTMQGZNNCS-UHFFFAOYSA-N -1 0 319.357 3.888 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H](CC)C(=O)[O-] ZINC001597273655 987331147 /nfs/dbraw/zinc/33/11/47/987331147.db2.gz XPEYIHMAMNYQKR-VIFPVBQESA-N -1 0 301.795 3.501 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCCC1 ZINC001589579726 987358463 /nfs/dbraw/zinc/35/84/63/987358463.db2.gz JBHJQIMJBVBKBV-UHFFFAOYSA-N -1 0 324.808 3.978 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1 ZINC001589591907 987398647 /nfs/dbraw/zinc/39/86/47/987398647.db2.gz OGOYTMDIWKHECO-INIZCTEOSA-N -1 0 315.413 3.701 20 0 DHADRM CC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(C)c(F)c1 ZINC001597349270 987483522 /nfs/dbraw/zinc/48/35/22/987483522.db2.gz BKZBTDOWPBZHDK-LBPRGKRZSA-N -1 0 308.378 3.530 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC1 ZINC001597355429 987501664 /nfs/dbraw/zinc/50/16/64/987501664.db2.gz FIUMBKMVPIOIQO-SHTZXODSSA-N -1 0 311.466 3.798 20 0 DHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(F)c2[O-])s1 ZINC000933428177 1015313954 /nfs/dbraw/zinc/31/39/54/1015313954.db2.gz KIZCXCJQTLFZPQ-SNVBAGLBSA-N -1 0 322.405 3.692 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCC2Cc3ccccc3C2)cc1 ZINC001589641216 987563861 /nfs/dbraw/zinc/56/38/61/987563861.db2.gz NTMKQHXTVGQYIK-UHFFFAOYSA-N -1 0 309.409 3.876 20 0 DHADRM CCc1[nH]c(CN2CC3(CCC3)c3ccccc32)cc1C(=O)[O-] ZINC001597383525 987583982 /nfs/dbraw/zinc/58/39/82/987583982.db2.gz GEJGYYJXCJTFNX-UHFFFAOYSA-N -1 0 310.397 3.717 20 0 DHADRM CCc1[nH]c(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384244 987586697 /nfs/dbraw/zinc/58/66/97/987586697.db2.gz ISJTWARUWNPWBE-LRDDRELGSA-N -1 0 316.401 3.842 20 0 DHADRM CCc1[nH]c(CN(Cc2ccccc2F)C(C)C)cc1C(=O)[O-] ZINC001597384353 987588341 /nfs/dbraw/zinc/58/83/41/987588341.db2.gz KKHKXUAJYDTDIB-UHFFFAOYSA-N -1 0 318.392 3.825 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@H]2C=CCCC2)c1 ZINC001589650592 987598252 /nfs/dbraw/zinc/59/82/52/987598252.db2.gz LLVHXNZBVFNKJU-ZDUSSCGKSA-N -1 0 302.370 3.701 20 0 DHADRM CCc1c(NCc2csc(C(=O)[O-])c2)cnn1CCC(C)C ZINC001597419866 987727656 /nfs/dbraw/zinc/72/76/56/987727656.db2.gz ORJCHWGQSZVRBP-UHFFFAOYSA-N -1 0 321.446 3.863 20 0 DHADRM CCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccc1O ZINC001597436626 987779317 /nfs/dbraw/zinc/77/93/17/987779317.db2.gz APKLQBTVQPMETL-UHFFFAOYSA-N -1 0 319.382 3.583 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001597449329 987832453 /nfs/dbraw/zinc/83/24/53/987832453.db2.gz AVUFAFURKOTPHT-HUUCEWRRSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCO[C@@H](C)CC(C)C ZINC001597451741 987842387 /nfs/dbraw/zinc/84/23/87/987842387.db2.gz FXWFHTVNYRMMOO-ZDUSSCGKSA-N -1 0 321.417 3.727 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1CC(C)(C)C1 ZINC001597452285 987847583 /nfs/dbraw/zinc/84/75/83/987847583.db2.gz OWELURXHOBJAIZ-UHFFFAOYSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CC2CCC1CC2 ZINC001597459225 987883401 /nfs/dbraw/zinc/88/34/01/987883401.db2.gz XVFMIKXGXDBYFP-TZDAIYRESA-N -1 0 316.401 3.647 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(F)c1 ZINC001597463945 987894903 /nfs/dbraw/zinc/89/49/03/987894903.db2.gz HYKFSNYXLHJOHM-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CS[C@@H](C)CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599784872 987904334 /nfs/dbraw/zinc/90/43/34/987904334.db2.gz XWAPNFRIQBIMOU-NSHDSACASA-N -1 0 309.431 3.519 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001589726266 987906838 /nfs/dbraw/zinc/90/68/38/987906838.db2.gz HMORJSOTIXKHHF-YMAMQOFZSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589728289 987930529 /nfs/dbraw/zinc/93/05/29/987930529.db2.gz ICNNKZOOPJWKQD-UONOGXRCSA-N -1 0 324.465 3.536 20 0 DHADRM CCc1cc(C)c(OC(=O)/C=C\c2cc(C(=O)[O-])co2)c(C)c1 ZINC001597471394 987933292 /nfs/dbraw/zinc/93/32/92/987933292.db2.gz HMXIJSAXNHOYRW-WAYWQWQTSA-N -1 0 314.337 3.776 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(F)cccc1F ZINC000474424672 1015347605 /nfs/dbraw/zinc/34/76/05/1015347605.db2.gz CTQRTBGIDVTCKK-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001589732389 987960386 /nfs/dbraw/zinc/96/03/86/987960386.db2.gz JYNLPNYDUDFPEH-LBPRGKRZSA-N -1 0 322.380 3.814 20 0 DHADRM CCc1cc(NC(=O)CCc2ccccc2C(=O)[O-])ccc1F ZINC001597481641 987971625 /nfs/dbraw/zinc/97/16/25/987971625.db2.gz MZUDRCJQUBSRDG-UHFFFAOYSA-N -1 0 315.344 3.658 20 0 DHADRM O=C([O-])[C@@H](c1ccsc1)N(Cc1ccccc1)CC(F)F ZINC000521055741 1015351223 /nfs/dbraw/zinc/35/12/23/1015351223.db2.gz AOKGTTSKYVUPFR-CQSZACIVSA-N -1 0 311.353 3.641 20 0 DHADRM CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589740739 988010553 /nfs/dbraw/zinc/01/05/53/988010553.db2.gz FHJRNXFSVNPART-ZBFHGGJFSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1CC ZINC001597498480 988045602 /nfs/dbraw/zinc/04/56/02/988045602.db2.gz FSIPTYQWMHSUFH-UHFFFAOYSA-N -1 0 317.429 3.671 20 0 DHADRM CCc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597500890 988061159 /nfs/dbraw/zinc/06/11/59/988061159.db2.gz BFUPKKXPJGHLCZ-QGZVFWFLSA-N -1 0 317.429 3.650 20 0 DHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000581830019 1015357705 /nfs/dbraw/zinc/35/77/05/1015357705.db2.gz VMQASCJNMRAPAP-IINYFYTJSA-N -1 0 320.389 3.564 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(c2cccc(F)c2)CC1 ZINC000474432050 1015357864 /nfs/dbraw/zinc/35/78/64/1015357864.db2.gz OTEKUAMNAYSLBD-UHFFFAOYSA-N -1 0 323.726 3.994 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1CC ZINC001597503636 988071799 /nfs/dbraw/zinc/07/17/99/988071799.db2.gz UNTFIDBYIFACIT-UHFFFAOYSA-N -1 0 315.344 3.901 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)cc(F)c1 ZINC000474428261 1015358313 /nfs/dbraw/zinc/35/83/13/1015358313.db2.gz RMUPWFRGGCGRJK-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM Cn1cnc2ccc(-c3ccc4c(c3)CC[C@@]43C[C@H]3C(=O)[O-])cc21 ZINC000581835599 1015361513 /nfs/dbraw/zinc/36/15/13/1015361513.db2.gz FKSONKADZNHMEH-OXJNMPFZSA-N -1 0 318.376 3.529 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001589764805 988109029 /nfs/dbraw/zinc/10/90/29/988109029.db2.gz XPPPPRIUQJMMRV-OAHLLOKOSA-N -1 0 318.417 3.746 20 0 DHADRM CC(C)(C)CCCCNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001589771719 988124333 /nfs/dbraw/zinc/12/43/33/988124333.db2.gz DGWHWJWPEAPJFM-DNVCBOLYSA-N -1 0 317.429 3.578 20 0 DHADRM CSCCCCCCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001599797746 988124730 /nfs/dbraw/zinc/12/47/30/988124730.db2.gz XZGNSUKVQVPGRZ-UHFFFAOYSA-N -1 0 313.394 3.776 20 0 DHADRM CCc1ccc([C@@H]2CCN(C(=O)c3ccccc3C(=O)[O-])C2)cc1 ZINC001597516265 988127817 /nfs/dbraw/zinc/12/78/17/988127817.db2.gz CBEYSQZWMPGLCT-MRXNPFEDSA-N -1 0 323.392 3.577 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc2c(c1)CCC2 ZINC000474447986 1015366164 /nfs/dbraw/zinc/36/61/64/1015366164.db2.gz RFUNNPPDQGLYLY-UHFFFAOYSA-N -1 0 305.736 3.926 20 0 DHADRM CSCCCSc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599800241 988164231 /nfs/dbraw/zinc/16/42/31/988164231.db2.gz QYXUFYRITMAYBR-UHFFFAOYSA-N -1 0 311.350 3.644 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001589784371 988164290 /nfs/dbraw/zinc/16/42/90/988164290.db2.gz RZVAUPDAFHAPGJ-ARFHVFGLSA-N -1 0 323.477 3.846 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001589788923 988173024 /nfs/dbraw/zinc/17/30/24/988173024.db2.gz HQQHJFONPSIXLR-QWHCGFSZSA-N -1 0 300.358 3.975 20 0 DHADRM CCc1ccc(N(CC)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001597531824 988191902 /nfs/dbraw/zinc/19/19/02/988191902.db2.gz BFARUXOQOQDVDQ-UHFFFAOYSA-N -1 0 315.344 3.753 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(C(=O)[O-])c1 ZINC001597542687 988233247 /nfs/dbraw/zinc/23/32/47/988233247.db2.gz GYNOMIQUZNLDCI-RTXFEEFZSA-N -1 0 323.339 3.567 20 0 DHADRM CCc1ccc(NC(=O)[C@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001597542923 988233941 /nfs/dbraw/zinc/23/39/41/988233941.db2.gz LVCUMNXYEPXFJF-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM CCc1ccc(NC(=O)[C@@H](C)OC2CCCCC2)c(C(=O)[O-])c1 ZINC001597543273 988239758 /nfs/dbraw/zinc/23/97/58/988239758.db2.gz ZGDFRFRQLYVWPV-GFCCVEGCSA-N -1 0 319.401 3.624 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2sc(C)cc2C(=O)[O-])o1 ZINC001599808584 988296618 /nfs/dbraw/zinc/29/66/18/988296618.db2.gz MFOWAEYQMCFSAC-UHFFFAOYSA-N -1 0 311.384 3.630 20 0 DHADRM CSc1cc(C)c(C(=O)OC2CCC(CC(=O)[O-])CC2)o1 ZINC001599809020 988302051 /nfs/dbraw/zinc/30/20/51/988302051.db2.gz WVAVWSLFMLNEAP-UHFFFAOYSA-N -1 0 312.387 3.500 20 0 DHADRM CCc1ccc2c(c1)CN(c1ncc(C(=O)[O-])cc1Cl)CC2 ZINC001597569124 988330946 /nfs/dbraw/zinc/33/09/46/988330946.db2.gz QIWKFTZQLGVRMJ-UHFFFAOYSA-N -1 0 316.788 3.558 20 0 DHADRM CCc1ccc2ccccc2c1CNc1nccc(C(=O)[O-])n1 ZINC001597570642 988348229 /nfs/dbraw/zinc/34/82/29/988348229.db2.gz VOJLFJSSFTYFBE-UHFFFAOYSA-N -1 0 307.353 3.503 20 0 DHADRM CSc1ccc(C)c(N[C@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001599811894 988351037 /nfs/dbraw/zinc/35/10/37/988351037.db2.gz DTDGMCXYXIVMRM-LLVKDONJSA-N -1 0 302.399 3.983 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001597576927 988369781 /nfs/dbraw/zinc/36/97/81/988369781.db2.gz WAVFUJPIYCPLSH-ZDUSSCGKSA-N -1 0 301.386 3.856 20 0 DHADRM CSc1ccc(C)c(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1 ZINC001599813604 988380938 /nfs/dbraw/zinc/38/09/38/988380938.db2.gz YOAWVGPOIUSDJR-UHFFFAOYSA-N -1 0 316.378 3.563 20 0 DHADRM CSc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001599813869 988385751 /nfs/dbraw/zinc/38/57/51/988385751.db2.gz AAPHCBYCYGCDBD-UHFFFAOYSA-N -1 0 320.341 3.603 20 0 DHADRM CCc1cccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)c1 ZINC001597587130 988409650 /nfs/dbraw/zinc/40/96/50/988409650.db2.gz PVSHTQFSACNFPV-UHFFFAOYSA-N -1 0 324.302 3.973 20 0 DHADRM CSc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC001599815912 988423488 /nfs/dbraw/zinc/42/34/88/988423488.db2.gz IREBNUBVXHHUEK-WDEREUQCSA-N -1 0 307.415 3.872 20 0 DHADRM CCc1cccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001597593325 988428131 /nfs/dbraw/zinc/42/81/31/988428131.db2.gz RRDNSTAQSYKZDL-UHFFFAOYSA-N -1 0 315.413 3.637 20 0 DHADRM CCc1cccc(COc2ccc(/C=C/C(=O)[O-])cc2OC)c1 ZINC001597593576 988428300 /nfs/dbraw/zinc/42/83/00/988428300.db2.gz UMMFUGQEXDCCIZ-CSKARUKUSA-N -1 0 312.365 3.934 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)ncc1C ZINC001597594327 988432644 /nfs/dbraw/zinc/43/26/44/988432644.db2.gz TVQWXFNTTQESKZ-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CCc1cccc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001597595052 988437104 /nfs/dbraw/zinc/43/71/04/988437104.db2.gz HIJPBFLVTXBIEX-UHFFFAOYSA-N -1 0 314.410 3.685 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001599817084 988445887 /nfs/dbraw/zinc/44/58/87/988445887.db2.gz QMMJDBUYPLLKKE-AXFHLTTASA-N -1 0 322.430 3.615 20 0 DHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1C(=O)[O-] ZINC001599817687 988454515 /nfs/dbraw/zinc/45/45/15/988454515.db2.gz WCDRCORNVHPROS-MNOVXSKESA-N -1 0 322.430 3.617 20 0 DHADRM CCc1ccccc1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001597608991 988489723 /nfs/dbraw/zinc/48/97/23/988489723.db2.gz HPIXLFUFTULJIC-UHFFFAOYSA-N -1 0 317.410 3.807 20 0 DHADRM CCc1ccccc1CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597609400 988494303 /nfs/dbraw/zinc/49/43/03/988494303.db2.gz OXTRPKIBLYMGOW-UHFFFAOYSA-N -1 0 322.364 3.610 20 0 DHADRM CCc1ccccc1COc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001597609930 988502400 /nfs/dbraw/zinc/50/24/00/988502400.db2.gz YBVYNZXWEHDALQ-LUAWRHEFSA-N -1 0 312.365 3.934 20 0 DHADRM CSc1cccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599823318 988552999 /nfs/dbraw/zinc/55/29/99/988552999.db2.gz MRIWHXFZQUQUNJ-LBPRGKRZSA-N -1 0 317.410 3.873 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597622014 988555827 /nfs/dbraw/zinc/55/58/27/988555827.db2.gz WFWYCNRDBCFJRX-ZWKOTPCHSA-N -1 0 323.392 3.998 20 0 DHADRM CSc1cccc(C)c1NC(=O)NCCCCCCC(=O)[O-] ZINC001599824358 988571297 /nfs/dbraw/zinc/57/12/97/988571297.db2.gz SPEIRKDJJUGFTJ-UHFFFAOYSA-N -1 0 324.446 3.874 20 0 DHADRM CCc1ccsc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597626550 988577927 /nfs/dbraw/zinc/57/79/27/988577927.db2.gz VBIQJVVRQGSOKY-UHFFFAOYSA-N -1 0 309.412 3.939 20 0 DHADRM CSc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1C ZINC001599824737 988578347 /nfs/dbraw/zinc/57/83/47/988578347.db2.gz NHDFCEVRXKMNCM-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CSc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001599824821 988580771 /nfs/dbraw/zinc/58/07/71/988580771.db2.gz RKSLZMFIYWDDDA-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CCc1cnccc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001597634860 988612530 /nfs/dbraw/zinc/61/25/30/988612530.db2.gz QLWSUZRDYKCAFO-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1csc(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])n1 ZINC001597641837 988641160 /nfs/dbraw/zinc/64/11/60/988641160.db2.gz MKOKQQQXHLGYTE-ZDUSSCGKSA-N -1 0 307.440 3.802 20 0 DHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC001599832066 988689086 /nfs/dbraw/zinc/68/90/86/988689086.db2.gz KQCZFDMKDRKWBJ-JTQLQIEISA-N -1 0 323.801 3.517 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599833266 988705361 /nfs/dbraw/zinc/70/53/61/988705361.db2.gz FBPZPMFRJLXZFG-NSHDSACASA-N -1 0 307.365 3.565 20 0 DHADRM CCc1nc([C@H](C)NCc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC001597656259 988708586 /nfs/dbraw/zinc/70/85/86/988708586.db2.gz PALQIUKAQWQAJP-NSHDSACASA-N -1 0 304.415 3.563 20 0 DHADRM CCc1nc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)sc1C(=O)[O-] ZINC001597676295 988789679 /nfs/dbraw/zinc/78/96/79/988789679.db2.gz SETQUGVSRZJSOC-MWLCHTKSSA-N -1 0 322.430 3.581 20 0 DHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C1CCCCCC1 ZINC001599840131 988812137 /nfs/dbraw/zinc/81/21/37/988812137.db2.gz FLOCKNAUSPJWEI-CYBMUJFWSA-N -1 0 318.417 3.543 20 0 DHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(Cl)cn1 ZINC001599842419 988866994 /nfs/dbraw/zinc/86/69/94/988866994.db2.gz MMQMMKATKZMIIW-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM CCc1nccc(NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC001597703503 988941512 /nfs/dbraw/zinc/94/15/12/988941512.db2.gz QCBUASGFXQIGQR-UHFFFAOYSA-N -1 0 313.382 3.564 20 0 DHADRM CCc1nn(C)c(Cl)c1CNc1cc(C(=O)[O-])c(C)cc1C ZINC001597718237 988992011 /nfs/dbraw/zinc/99/20/11/988992011.db2.gz LTSBJCBFFDXOEG-UHFFFAOYSA-N -1 0 321.808 3.563 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2ccccc2F)CCC1 ZINC001597767170 989217460 /nfs/dbraw/zinc/21/74/60/989217460.db2.gz DUKPMSFLOQYBAK-UHFFFAOYSA-N -1 0 317.360 3.848 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCc1ccc(C)s1 ZINC001597767643 989223172 /nfs/dbraw/zinc/22/31/72/989223172.db2.gz BHHDITIAOLFBPP-UHFFFAOYSA-N -1 0 322.382 3.586 20 0 DHADRM CCc1oc(CN(C)Cc2cc3ccccc3[nH]2)cc1C(=O)[O-] ZINC001597793253 989343431 /nfs/dbraw/zinc/34/34/31/989343431.db2.gz YFKZGFUYMNVMRQ-UHFFFAOYSA-N -1 0 312.369 3.654 20 0 DHADRM CCc1sc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1C ZINC001597817958 989450733 /nfs/dbraw/zinc/45/07/33/989450733.db2.gz IMNGDVHPQXUISD-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(C)c(C(=O)[O-])n1 ZINC001597839710 989531656 /nfs/dbraw/zinc/53/16/56/989531656.db2.gz HPAUPUKOIYUECM-GFCCVEGCSA-N -1 0 324.384 3.631 20 0 DHADRM CC(C)(C)OCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001590383068 989902799 /nfs/dbraw/zinc/90/27/99/989902799.db2.gz XPOVCQJUKNIHMC-UHFFFAOYSA-N -1 0 313.781 3.572 20 0 DHADRM CC(C)(C)OCc1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001590399076 989933342 /nfs/dbraw/zinc/93/33/42/989933342.db2.gz TWPQBMMGWWLQFJ-UHFFFAOYSA-N -1 0 302.374 3.640 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590435577 989998945 /nfs/dbraw/zinc/99/89/45/989998945.db2.gz ROPGFZKWMJMHGE-PSASIEDQSA-N -1 0 313.756 3.798 20 0 DHADRM CC(C)(C)[C@H](NC(=O)c1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001590441401 990001755 /nfs/dbraw/zinc/00/17/55/990001755.db2.gz CMLLESZNOTWJOK-CQSZACIVSA-N -1 0 319.788 3.722 20 0 DHADRM CC(C)(C)c1cc(SCc2ccccc2C(=O)[O-])ncn1 ZINC001590462601 990035981 /nfs/dbraw/zinc/03/59/81/990035981.db2.gz ZVPLNVOYTUMOOJ-UHFFFAOYSA-N -1 0 302.399 3.765 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccccc1C(=O)[O-] ZINC001590500641 990114644 /nfs/dbraw/zinc/11/46/44/990114644.db2.gz HTHCVMZRYNBCID-UHFFFAOYSA-N -1 0 323.392 3.885 20 0 DHADRM CC(C)(C)c1nc(CNc2cc(F)cc(C(=O)[O-])c2F)co1 ZINC001590541766 990167247 /nfs/dbraw/zinc/16/72/47/990167247.db2.gz IGKZIFXTSIFFAV-UHFFFAOYSA-N -1 0 310.300 3.561 20 0 DHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001590621069 990299450 /nfs/dbraw/zinc/29/94/50/990299450.db2.gz QDZQONGAGRVPHU-QGZVFWFLSA-N -1 0 317.429 3.504 20 0 DHADRM CC(C)(CC(=O)Nc1cccc(C(=O)[O-])n1)C1CCCCC1 ZINC001590621610 990303164 /nfs/dbraw/zinc/30/31/64/990303164.db2.gz JBMUZKWLHOAHAC-UHFFFAOYSA-N -1 0 304.390 3.715 20 0 DHADRM CC(C)(CC(=O)[O-])NC(=O)C1(c2ccccc2)CCCCCC1 ZINC001590641050 990329911 /nfs/dbraw/zinc/32/99/11/990329911.db2.gz GHLUCRNSXDGNJM-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000684479012 1015557069 /nfs/dbraw/zinc/55/70/69/1015557069.db2.gz STFFAYFLCIVUAL-NSHDSACASA-N -1 0 309.699 3.602 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598082894 990404051 /nfs/dbraw/zinc/40/40/51/990404051.db2.gz DXSHIKJZOCZJEP-HUUCEWRRSA-N -1 0 303.402 3.672 20 0 DHADRM CC(C)(CNC(=O)Nc1ccc2c(c1)CCCCC2)CC(=O)[O-] ZINC001590738432 990532978 /nfs/dbraw/zinc/53/29/78/990532978.db2.gz PQAVWYYCRLTUSM-UHFFFAOYSA-N -1 0 318.417 3.578 20 0 DHADRM CC(C)(CNC(=O)c1cccc(CC(=O)[O-])c1)C1CCCCC1 ZINC001590750259 990549332 /nfs/dbraw/zinc/54/93/32/990549332.db2.gz CLUNBXAISLZWDT-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001590819916 990651359 /nfs/dbraw/zinc/65/13/59/990651359.db2.gz ALHNGCABLNEUFG-UHFFFAOYSA-N -1 0 310.806 3.933 20 0 DHADRM CC(C)Oc1ccc(-c2ccccc2O[C@@H](C)C(=O)[O-])cc1 ZINC000581955225 1015586218 /nfs/dbraw/zinc/58/62/18/1015586218.db2.gz XTNVWFVVOGVDGO-ZDUSSCGKSA-N -1 0 300.354 3.993 20 0 DHADRM CC(C)(NCc1csc2ccccc12)c1cc(C(=O)[O-])on1 ZINC001590875385 990787793 /nfs/dbraw/zinc/78/77/93/990787793.db2.gz YEDIBQHQSNQPTC-UHFFFAOYSA-N -1 0 316.382 3.612 20 0 DHADRM CC(C)=C(C)CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001590912679 990888882 /nfs/dbraw/zinc/88/88/82/990888882.db2.gz NUTKKOBELLTFFF-SFHVURJKSA-N -1 0 311.381 3.828 20 0 DHADRM CC(C)=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001590912869 990892085 /nfs/dbraw/zinc/89/20/85/990892085.db2.gz TXFVTALVZQKXSJ-SFHVURJKSA-N -1 0 323.392 3.952 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1(C)C ZINC001590914197 990895761 /nfs/dbraw/zinc/89/57/61/990895761.db2.gz BUZLIGZTKBYPDQ-CABCVRRESA-N -1 0 323.477 3.820 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1(C)C ZINC001590915113 990901917 /nfs/dbraw/zinc/90/19/17/990901917.db2.gz PPGLZVRNRFRSGP-BIENJYKASA-N -1 0 321.461 3.765 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])C1(C)C ZINC001590915507 990903422 /nfs/dbraw/zinc/90/34/22/990903422.db2.gz VGWSOVAZRKGZSC-ZIAGYGMSSA-N -1 0 309.450 3.573 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1(C)C ZINC001590915447 990903605 /nfs/dbraw/zinc/90/36/05/990903605.db2.gz UHWRAKAOVYZQKX-QMTHXVAHSA-N -1 0 323.339 3.840 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590921444 990910738 /nfs/dbraw/zinc/91/07/38/990910738.db2.gz HCJPWAROLQSWMD-NSHDSACASA-N -1 0 309.793 3.903 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001590921986 990916348 /nfs/dbraw/zinc/91/63/48/990916348.db2.gz PNVTYHLPFKKLPH-CQSZACIVSA-N -1 0 318.417 3.960 20 0 DHADRM COc1cccc(SC)c1NCc1cc(C(=O)[O-])c(C)o1 ZINC001599683379 990948166 /nfs/dbraw/zinc/94/81/66/990948166.db2.gz MNFVDFLEHRPDEB-UHFFFAOYSA-N -1 0 307.371 3.629 20 0 DHADRM COc1cccc(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c1 ZINC001599683529 990950042 /nfs/dbraw/zinc/95/00/42/990950042.db2.gz PIYVAXFNWCSMBS-INIZCTEOSA-N -1 0 302.395 3.792 20 0 DHADRM CC(C)C(C)(C)CSCc1cn2cccc(C(=O)[O-])c2n1 ZINC001590963588 991065373 /nfs/dbraw/zinc/06/53/73/991065373.db2.gz JUYYTYBXVXRYJV-UHFFFAOYSA-N -1 0 306.431 3.948 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC001590976209 991122749 /nfs/dbraw/zinc/12/27/49/991122749.db2.gz LUVIGNNRXYWHNJ-JKSUJKDBSA-N -1 0 319.445 3.822 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC001590976207 991122797 /nfs/dbraw/zinc/12/27/97/991122797.db2.gz LUVIGNNRXYWHNJ-HOTGVXAUSA-N -1 0 319.445 3.822 20 0 DHADRM CC(C)[C@@H](CC(F)(F)F)Nc1ncc(C(=O)[O-])cc1Cl ZINC001590981359 991140903 /nfs/dbraw/zinc/14/09/03/991140903.db2.gz USSDSHNQGNXTBU-SECBINFHSA-N -1 0 310.703 3.822 20 0 DHADRM CC(C)[C@@H](F)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC001590996428 991230553 /nfs/dbraw/zinc/23/05/53/991230553.db2.gz NSYOHAQOPJCFQJ-GFCCVEGCSA-N -1 0 310.346 3.637 20 0 DHADRM CC(C)[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024050 991310869 /nfs/dbraw/zinc/31/08/69/991310869.db2.gz HKBZIZZFFLGCCI-HUUCEWRRSA-N -1 0 307.390 4.000 20 0 DHADRM COc1ccccc1CCCNc1ccc(F)c(C(=O)[O-])c1 ZINC001599708975 991338159 /nfs/dbraw/zinc/33/81/59/991338159.db2.gz PYGASKPMVCPYGX-UHFFFAOYSA-N -1 0 303.333 3.577 20 0 DHADRM CC(C)[C@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001591040621 991380214 /nfs/dbraw/zinc/38/02/14/991380214.db2.gz PHKCJTRDWDVSCE-INIZCTEOSA-N -1 0 318.394 3.584 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591052754 991460258 /nfs/dbraw/zinc/46/02/58/991460258.db2.gz VNCRTRLBMONVFX-BBWFWOEESA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591057755 991468551 /nfs/dbraw/zinc/46/85/51/991468551.db2.gz ISDBFIWIGMZGEE-VXJOIVPMSA-N -1 0 313.756 3.798 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591060948 991495419 /nfs/dbraw/zinc/49/54/19/991495419.db2.gz BVWGPOOOOGXOMF-BZNIZROVSA-N -1 0 307.415 3.944 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001591061094 991496538 /nfs/dbraw/zinc/49/65/38/991496538.db2.gz CZVLTCPYOUPCKT-KSSFIOAISA-N -1 0 312.369 3.554 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001591061461 991500456 /nfs/dbraw/zinc/50/04/56/991500456.db2.gz IGVUZAUATCGMQR-UHFFFAOYSA-N -1 0 322.380 3.814 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001591061560 991502113 /nfs/dbraw/zinc/50/21/13/991502113.db2.gz KSTZIKISHAREAH-UHFFFAOYSA-N -1 0 322.380 3.814 20 0 DHADRM COc1ccccc1[C@H](C)OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599719266 991508619 /nfs/dbraw/zinc/50/86/19/991508619.db2.gz HQXJFPJJISUIHX-ZDUSSCGKSA-N -1 0 320.385 3.725 20 0 DHADRM CC(C)C1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001591080741 991586660 /nfs/dbraw/zinc/58/66/60/991586660.db2.gz COCHMKNHKPVNSK-UHFFFAOYSA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001591087908 991613923 /nfs/dbraw/zinc/61/39/23/991613923.db2.gz BUQZWQFADRJVID-OCCSQVGLSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)[C@H]1CCCCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001591087972 991615633 /nfs/dbraw/zinc/61/56/33/991615633.db2.gz CKLUSFHOSPSOGC-OAHLLOKOSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1 ZINC001591089011 991627977 /nfs/dbraw/zinc/62/79/77/991627977.db2.gz ORAQNMFXNPTHOB-HIFRSBDPSA-N -1 0 315.417 3.748 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001591089098 991629574 /nfs/dbraw/zinc/62/95/74/991629574.db2.gz RIXWULZUZJAWPR-LRDDRELGSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)[C@@H]1CN(Cc2ncc(C(=O)[O-])s2)c2ccccc21 ZINC001591096542 991689093 /nfs/dbraw/zinc/68/90/93/991689093.db2.gz IRAFJNTUEWBXNR-LBPRGKRZSA-N -1 0 302.399 3.601 20 0 DHADRM CC(C)[C@H]1N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCCCC2 ZINC001591098744 991705492 /nfs/dbraw/zinc/70/54/92/991705492.db2.gz HWUPYGXBJWKUDP-BZUAXINKSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1(C)C ZINC001591100237 991721028 /nfs/dbraw/zinc/72/10/28/991721028.db2.gz VXZAOLAAMIMBPP-ZDUSSCGKSA-N -1 0 324.808 3.937 20 0 DHADRM COc1nc(N[C@H](C)c2ccc(SC)cc2)ccc1C(=O)[O-] ZINC001599732184 991723148 /nfs/dbraw/zinc/72/31/48/991723148.db2.gz QGPFOGMMKDRTGJ-SNVBAGLBSA-N -1 0 318.398 3.683 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC001591123109 991802346 /nfs/dbraw/zinc/80/23/46/991802346.db2.gz MKNUDOGHHBLROF-MRXNPFEDSA-N -1 0 320.820 3.610 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])N1CCCc2c(OC(F)F)cccc21 ZINC001591123396 991808516 /nfs/dbraw/zinc/80/85/16/991808516.db2.gz ZNUOVNKJXQBSMB-CYBMUJFWSA-N -1 0 313.344 3.540 20 0 DHADRM CC(C)C[C@H](C)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591130113 991820740 /nfs/dbraw/zinc/82/07/40/991820740.db2.gz GBXDWMVKYVPBCC-GOEBONIOSA-N -1 0 311.466 3.989 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001591138132 991853960 /nfs/dbraw/zinc/85/39/60/991853960.db2.gz QTPSFWWBHFHAKI-HIFRSBDPSA-N -1 0 307.390 3.753 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001591142874 991867872 /nfs/dbraw/zinc/86/78/72/991867872.db2.gz LPICJVRUFOWWCJ-UHFFFAOYSA-N -1 0 307.390 3.737 20 0 DHADRM C[C@H](OCC(F)(F)F)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000896606165 1015676204 /nfs/dbraw/zinc/67/62/04/1015676204.db2.gz HKNBGBXFCGQKJI-LURJTMIESA-N -1 0 322.670 3.736 20 0 DHADRM CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001591193295 992010476 /nfs/dbraw/zinc/01/04/76/992010476.db2.gz XGBHBPFKOZMKOO-SFHVURJKSA-N -1 0 318.417 3.746 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001591196944 992014076 /nfs/dbraw/zinc/01/40/76/992014076.db2.gz OZWIFXDMGQNOMD-UHFFFAOYSA-N -1 0 321.392 3.812 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591228039 992101558 /nfs/dbraw/zinc/10/15/58/992101558.db2.gz NPHFHRMIMFXEFZ-FXUDXRNXSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)CCCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001591236997 992120947 /nfs/dbraw/zinc/12/09/47/992120947.db2.gz RMVWMSHVOVHQLI-INIZCTEOSA-N -1 0 323.408 3.717 20 0 DHADRM CC(C)CCOC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001591251208 992146423 /nfs/dbraw/zinc/14/64/23/992146423.db2.gz ASZHRSPKUJBMAK-ACJLOTCBSA-N -1 0 319.401 3.636 20 0 DHADRM CC(C)CCOC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001591251548 992148190 /nfs/dbraw/zinc/14/81/90/992148190.db2.gz LMQLZRDVLXQKQZ-UHFFFAOYSA-N -1 0 307.390 3.536 20 0 DHADRM COCCC1(c2noc(-c3cccc(Cl)c3[O-])n2)CCCC1 ZINC000896629325 1015687292 /nfs/dbraw/zinc/68/72/92/1015687292.db2.gz ZULQKQABCAXORV-UHFFFAOYSA-N -1 0 322.792 3.944 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591261267 992173159 /nfs/dbraw/zinc/17/31/59/992173159.db2.gz ZGOVVRBMEWMKGP-UONOGXRCSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC001591266358 992179713 /nfs/dbraw/zinc/17/97/13/992179713.db2.gz CQZPHTLPISFHMU-CJNGLKHVSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)CCc1ccccc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001591270144 992187924 /nfs/dbraw/zinc/18/79/24/992187924.db2.gz MMJMGRYWOJBFPI-UHFFFAOYSA-N -1 0 300.402 3.924 20 0 DHADRM CC(C)CN(C(=O)CC(C)(C)c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281538 992216554 /nfs/dbraw/zinc/21/65/54/992216554.db2.gz RNJRKUYXHBKFMO-UHFFFAOYSA-N -1 0 319.445 3.702 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCCCCCC1 ZINC001591309882 992269522 /nfs/dbraw/zinc/26/95/22/992269522.db2.gz NIJWAXJRVRWEMJ-UHFFFAOYSA-N -1 0 311.466 3.942 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC(C)(C)CC1 ZINC001591310203 992271580 /nfs/dbraw/zinc/27/15/80/992271580.db2.gz SONHXHOZKBHLGX-UHFFFAOYSA-N -1 0 311.466 3.798 20 0 DHADRM CC(C)CN(Cc1ccc(C(=O)[O-])c(F)c1)c1cccc(O)c1 ZINC001591343248 992323889 /nfs/dbraw/zinc/32/38/89/992323889.db2.gz TYGFFVIXGMRAKK-UHFFFAOYSA-N -1 0 317.360 3.892 20 0 DHADRM CS[C@H](C)CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599783281 992392659 /nfs/dbraw/zinc/39/26/59/992392659.db2.gz NTKBYUPAJSPWMM-MRVPVSSYSA-N -1 0 301.795 3.508 20 0 DHADRM CC(C)COc1ccccc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC001591410119 992487039 /nfs/dbraw/zinc/48/70/39/992487039.db2.gz SAYIJTWPXFASFV-INIZCTEOSA-N -1 0 319.426 3.698 20 0 DHADRM CC(C)Cc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)s1 ZINC001591477149 992596396 /nfs/dbraw/zinc/59/63/96/992596396.db2.gz JJPMPMHZZXUGPD-UHFFFAOYSA-N -1 0 311.447 3.520 20 0 DHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC001591488591 992615882 /nfs/dbraw/zinc/61/58/82/992615882.db2.gz GRHZHDVZWRGCLD-AWEZNQCLSA-N -1 0 319.445 3.748 20 0 DHADRM CN(Cc1ccc(Cl)c(Cl)c1)c1cccc(C(=O)[O-])n1 ZINC001598517773 992638647 /nfs/dbraw/zinc/63/86/47/992638647.db2.gz MFPBLNFMNIRCRP-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM CC(C)Cn1cc[nH+]c1NCc1cc(C(=O)[O-])ccc1Cl ZINC001591525493 992700246 /nfs/dbraw/zinc/70/02/46/992700246.db2.gz AAMHHVCVFHSYSO-UHFFFAOYSA-N -1 0 307.781 3.503 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)cc1C ZINC000341782509 1015732134 /nfs/dbraw/zinc/73/21/34/1015732134.db2.gz ROPBQFMFBJCHBZ-KSFYIVLOSA-N -1 0 323.502 3.742 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C2CCCC2)cc1 ZINC001591582243 992792258 /nfs/dbraw/zinc/79/22/58/992792258.db2.gz YDXSRQXBFHFXHP-UHFFFAOYSA-N -1 0 303.402 3.670 20 0 DHADRM Cc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000522622305 1015784483 /nfs/dbraw/zinc/78/44/83/1015784483.db2.gz HJCQRVGFGYKENO-LJQANCHMSA-N -1 0 317.429 3.673 20 0 DHADRM COc1ccc(F)cc1CNc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001599584634 993596307 /nfs/dbraw/zinc/59/63/07/993596307.db2.gz OTYKGGVKVHMNLJ-UHFFFAOYSA-N -1 0 314.316 3.626 20 0 DHADRM COc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2C)c(C(=O)[O-])c1 ZINC001599590374 993672812 /nfs/dbraw/zinc/67/28/12/993672812.db2.gz VYHZPSSMFYMKLC-NWDGAFQWSA-N -1 0 305.374 3.548 20 0 DHADRM C[C@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CCC1 ZINC001593109619 993775815 /nfs/dbraw/zinc/77/58/15/993775815.db2.gz PNIIVYGHBIPTFY-NSHDSACASA-N -1 0 312.369 3.848 20 0 DHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2cccc(Cl)c2)c1 ZINC000022768798 1015820289 /nfs/dbraw/zinc/82/02/89/1015820289.db2.gz BCSKFAIIFADKAC-LICLKQGHSA-N -1 0 304.733 3.615 20 0 DHADRM C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc2ccccc21 ZINC001593183772 994082791 /nfs/dbraw/zinc/08/27/91/994082791.db2.gz OHRMAMCWWZTABK-LBPRGKRZSA-N -1 0 323.348 3.551 20 0 DHADRM C[C@](NC(=O)c1csc(C2CCCCC2)c1)(C(=O)[O-])C1CC1 ZINC001593189430 994112195 /nfs/dbraw/zinc/11/21/95/994112195.db2.gz RFSHEZBTHGXGLC-QGZVFWFLSA-N -1 0 321.442 3.779 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cccs1)c1nccc2ccccc21 ZINC001593194335 994133601 /nfs/dbraw/zinc/13/36/01/994133601.db2.gz FQTPTWVAWFYWIG-BDJLRTHQSA-N -1 0 312.394 3.773 20 0 DHADRM C[C@@H](N[C@@](C)(C(=O)[O-])c1ccccc1)c1nccc2ccccc21 ZINC001593194663 994139544 /nfs/dbraw/zinc/13/95/44/994139544.db2.gz LEQGKHXSGMUBEQ-JLTOFOAXSA-N -1 0 320.392 3.885 20 0 DHADRM C[C@H](NC1(c2ccccc2F)CCC1)c1ncc(C(=O)[O-])s1 ZINC001593209862 994241052 /nfs/dbraw/zinc/24/10/52/994241052.db2.gz MOOZTLCNWRSZPM-JTQLQIEISA-N -1 0 320.389 3.710 20 0 DHADRM COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1C ZINC001599642666 994380668 /nfs/dbraw/zinc/38/06/68/994380668.db2.gz JULFSSZKTYBOLT-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(Cl)cc1C ZINC001599643591 994392277 /nfs/dbraw/zinc/39/22/77/994392277.db2.gz KPTJUZZJHVYONN-UHFFFAOYSA-N -1 0 320.728 3.574 20 0 DHADRM C[C@@H](N[C@H]1CCc2cccc3cccc1c32)c1nc(C(=O)[O-])co1 ZINC001593234101 994396970 /nfs/dbraw/zinc/39/69/70/994396970.db2.gz VLJPASLRXSSTPL-ABAIWWIYSA-N -1 0 322.364 3.864 20 0 DHADRM COc1cccc(C(=O)[O-])c1CSc1ccc2c(c1)CCO2 ZINC001599644136 994400958 /nfs/dbraw/zinc/40/09/58/994400958.db2.gz 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995021186 /nfs/dbraw/zinc/02/11/86/995021186.db2.gz MQUJJVTZRJVQGV-COLVAYQJSA-N -1 0 312.369 3.740 20 0 DHADRM C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1nc(C(=O)[O-])co1 ZINC001593362048 995029520 /nfs/dbraw/zinc/02/95/20/995029520.db2.gz CANDSIAFDFBGEZ-QMMMGPOBSA-N -1 0 314.263 3.651 20 0 DHADRM C[C@@H](Nc1cccc(N2CCCCC2)c1)c1nc(C(=O)[O-])co1 ZINC001593365578 995041499 /nfs/dbraw/zinc/04/14/99/995041499.db2.gz BPZIUFILNFKINL-GFCCVEGCSA-N -1 0 315.373 3.536 20 0 DHADRM C[C@H](Nc1cccc2cc(C(=O)[O-])sc21)[C@H]1CCCCO1 ZINC001593367929 995060693 /nfs/dbraw/zinc/06/06/93/995060693.db2.gz SHMHUDNPPYROJM-GXFFZTMASA-N -1 0 305.399 3.969 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCCc2sccc21)c1cc(C(=O)[O-])co1 ZINC001593503647 995515361 /nfs/dbraw/zinc/51/53/61/995515361.db2.gz XMGZFVMSAIPMEG-CABZTGNLSA-N -1 0 320.366 3.764 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1Cl ZINC001593562009 995649124 /nfs/dbraw/zinc/64/91/24/995649124.db2.gz CHTFGCXXCRQQDU-SRVKXCTJSA-N -1 0 310.777 3.835 20 0 DHADRM C[C@@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cc(F)cc(F)c1 ZINC001593579361 995694319 /nfs/dbraw/zinc/69/43/19/995694319.db2.gz YDPIOPCKDKQPMF-HYYFJVDXSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001593585587 995702331 /nfs/dbraw/zinc/70/23/31/995702331.db2.gz JOITYNASDAHMRH-SECBINFHSA-N -1 0 306.264 3.581 20 0 DHADRM C[C@@H](OC(=O)c1coc(C2CCCC2)n1)c1cc(C(=O)[O-])co1 ZINC001593599543 995748774 /nfs/dbraw/zinc/74/87/74/995748774.db2.gz JZCBAGAGRKNJPH-SECBINFHSA-N -1 0 319.313 3.541 20 0 DHADRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])c1ccc(F)cc1F ZINC001593600417 995752912 /nfs/dbraw/zinc/75/29/12/995752912.db2.gz ZTOQAEDBAZJNCC-SSDOTTSWSA-N -1 0 312.293 3.643 20 0 DHADRM C[C@H](Oc1ccccc1)c1noc([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001593641453 995952186 /nfs/dbraw/zinc/95/21/86/995952186.db2.gz LMEPJLYXQYGBEE-FPMFFAJLSA-N -1 0 316.357 3.568 20 0 DHADRM C[C@@H](Oc1ccccc1CNc1ccccc1Cl)C(=O)[O-] ZINC001593651851 996014163 /nfs/dbraw/zinc/01/41/63/996014163.db2.gz 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1016011745 /nfs/dbraw/zinc/01/17/45/1016011745.db2.gz WGRWEQMPPCBFAT-HUUCEWRRSA-N -1 0 311.809 3.654 20 0 DHADRM C[C@H](c1ccco1)N([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001593719554 996243770 /nfs/dbraw/zinc/24/37/70/996243770.db2.gz OUSPTOCOZXEFBJ-NXEZZACHSA-N -1 0 306.387 3.721 20 0 DHADRM C[C@@H](c1cccs1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593723066 996254284 /nfs/dbraw/zinc/25/42/84/996254284.db2.gz HAYRMUKMPKSEQC-JTQLQIEISA-N -1 0 315.398 3.516 20 0 DHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C(F)(F)F)C1(C)C ZINC001593730897 996298594 /nfs/dbraw/zinc/29/85/94/996298594.db2.gz AWVHDLVPVVLHMQ-CBAPKCEASA-N -1 0 322.352 3.565 20 0 DHADRM COCCc1ccc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)cc1 ZINC000657204272 1016037291 /nfs/dbraw/zinc/03/72/91/1016037291.db2.gz OLSUPTLGCVNQOP-UHFFFAOYSA-N -1 0 314.381 3.785 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)oc2ccccc23)C1 ZINC001593794179 996510192 /nfs/dbraw/zinc/51/01/92/996510192.db2.gz BWNTWDSGFTZSLQ-LJQANCHMSA-N -1 0 323.348 3.523 20 0 DHADRM C[C@]1(C(=O)Oc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC001593812570 996543632 /nfs/dbraw/zinc/54/36/32/996543632.db2.gz FGGYVHZPGKVIRE-IBGZPJMESA-N -1 0 310.349 3.584 20 0 DHADRM C[C@]1(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)C[C@H]2C[C@H]2C1 ZINC001593813586 996545502 /nfs/dbraw/zinc/54/55/02/996545502.db2.gz PUXZWIPTAQZNTL-CDMJZVDBSA-N -1 0 308.761 3.518 20 0 DHADRM O=C([O-])C1(c2cc(F)cc(-c3cncc(C(F)F)c3)c2)CC1 ZINC000657206496 1016043323 /nfs/dbraw/zinc/04/33/23/1016043323.db2.gz RAXIHYGVWBMPHT-UHFFFAOYSA-N -1 0 307.271 3.942 20 0 DHADRM O=C([O-])[C@@H]1CCOc2ccc(-c3cncc(C(F)(F)F)c3)cc21 ZINC000657206326 1016044240 /nfs/dbraw/zinc/04/42/40/1016044240.db2.gz JKFUSHWJVLDIFP-GFCCVEGCSA-N -1 0 323.270 3.718 20 0 DHADRM COc1ccc(-c2ccc(C(C)(C)C(=O)[O-])cc2C)c(CO)c1 ZINC000657208091 1016044552 /nfs/dbraw/zinc/04/45/52/1016044552.db2.gz ZOYOIQGCVUHANO-UHFFFAOYSA-N -1 0 314.381 3.525 20 0 DHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000634815637 1016046953 /nfs/dbraw/zinc/04/69/53/1016046953.db2.gz BWPWJXMTKGBXDM-UHFFFAOYSA-N -1 0 303.280 3.535 20 0 DHADRM CC1(C)C=Cc2cccc(NCc3cccc(C(=O)[O-])n3)c2O1 ZINC001593842810 996605763 /nfs/dbraw/zinc/60/57/63/996605763.db2.gz VJQPXSXIZPLZTP-UHFFFAOYSA-N -1 0 310.353 3.576 20 0 DHADRM CC1(C)CC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC001593848086 996617953 /nfs/dbraw/zinc/61/79/53/996617953.db2.gz HTDQPVFMJGXSOO-HNNXBMFYSA-N -1 0 317.429 3.781 20 0 DHADRM CC1(C)C[C@]1(C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593864659 996667786 /nfs/dbraw/zinc/66/77/86/996667786.db2.gz BUQJJNZLTNWKAS-LJQANCHMSA-N -1 0 309.365 3.691 20 0 DHADRM CC1(C)CC=C(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001593870540 996680729 /nfs/dbraw/zinc/68/07/29/996680729.db2.gz FYWSZSXRKKOVEF-UHFFFAOYSA-N -1 0 301.386 3.779 20 0 DHADRM CC1(C)CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1 ZINC001593870920 996682629 /nfs/dbraw/zinc/68/26/29/996682629.db2.gz LQHOKBFHPSWGTE-OAHLLOKOSA-N -1 0 307.434 3.663 20 0 DHADRM CC1(C)CCC(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CC1 ZINC001593873857 996685758 /nfs/dbraw/zinc/68/57/58/996685758.db2.gz DPALSODZWPXGDJ-MRXNPFEDSA-N -1 0 323.477 3.990 20 0 DHADRM CC1(C)CCC(C)(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001593873919 996686375 /nfs/dbraw/zinc/68/63/75/996686375.db2.gz GDDDELCYLFSULG-UHFFFAOYSA-N -1 0 307.365 3.613 20 0 DHADRM CC1(C)CCC(C)(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001593874380 996689879 /nfs/dbraw/zinc/68/98/79/996689879.db2.gz QZQORHBECPLMIG-UHFFFAOYSA-N -1 0 304.390 3.865 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001593883447 996716014 /nfs/dbraw/zinc/71/60/14/996716014.db2.gz GVYHEBPRFAVDFL-SNVBAGLBSA-N -1 0 303.383 3.974 20 0 DHADRM CC1(C)CC[C@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001593883958 996719715 /nfs/dbraw/zinc/71/97/15/996719715.db2.gz ZDILTKOXIYJJRO-HNNXBMFYSA-N -1 0 312.365 3.809 20 0 DHADRM CC1(C)CCC[C@@](NC(=O)CCC2CCCCC2)(C(=O)[O-])C1 ZINC001593892737 996743008 /nfs/dbraw/zinc/74/30/08/996743008.db2.gz 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997986496 /nfs/dbraw/zinc/98/64/96/997986496.db2.gz ZEHRSXFZVKMMRY-UHFFFAOYSA-N -1 0 314.385 3.828 20 0 DHADRM COc1cc(OC(=O)C2(CC(C)C)CCC2)ccc1C(=O)[O-] ZINC001599446175 998013099 /nfs/dbraw/zinc/01/30/99/998013099.db2.gz PAWJJZGWPKXQSR-UHFFFAOYSA-N -1 0 306.358 3.515 20 0 DHADRM COC(=O)c1cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c(C)cc1C ZINC001598947545 998085008 /nfs/dbraw/zinc/08/50/08/998085008.db2.gz NHSZYGGITLGOJJ-ZDUSSCGKSA-N -1 0 321.417 3.781 20 0 DHADRM CC(C)c1nc(CCNC(=O)c2cc(O)ccc2Cl)cs1 ZINC000277313450 1016188962 /nfs/dbraw/zinc/18/89/62/1016188962.db2.gz BTDMOZYDVASGOA-UHFFFAOYSA-N -1 0 324.833 3.598 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)CC1 ZINC001594108373 998178913 /nfs/dbraw/zinc/17/89/13/998178913.db2.gz JLSGYYYCHOPIIE-QGZVFWFLSA-N -1 0 315.413 3.626 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC001594109853 998198666 /nfs/dbraw/zinc/19/86/66/998198666.db2.gz MSBDCKHSHQFAAW-GDBMZVCRSA-N -1 0 319.376 3.594 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])CC1 ZINC001594109865 998198957 /nfs/dbraw/zinc/19/89/57/998198957.db2.gz MXWYUCJRQBHSPJ-JTQLQIEISA-N -1 0 309.312 3.738 20 0 DHADRM COc1cc(OCCOc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599456632 998199155 /nfs/dbraw/zinc/19/91/55/998199155.db2.gz HDFQFRNPJKKXBE-UHFFFAOYSA-N -1 0 322.744 3.505 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CC1 ZINC001594110237 998206868 /nfs/dbraw/zinc/20/68/68/998206868.db2.gz RWWXAKRCXIFLAM-ZFWWWQNUSA-N -1 0 301.386 3.950 20 0 DHADRM COc1cc(C(=O)[O-])cc(N[C@H]2CC(C)(C)C[C@@H]2C)c1OC ZINC001599362240 998280334 /nfs/dbraw/zinc/28/03/34/998280334.db2.gz OIRSZILFGXTNGJ-GWCFXTLKSA-N -1 0 307.390 3.639 20 0 DHADRM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC001594136624 998379997 /nfs/dbraw/zinc/37/99/97/998379997.db2.gz QDBFAUQLEFJAGA-AMKSKSKJSA-N -1 0 313.328 3.512 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C=C1CCC(C)(C)CC1 ZINC001599369328 998385683 /nfs/dbraw/zinc/38/56/83/998385683.db2.gz 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C[C@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])n2)CC(C)(C)C1 ZINC001594232047 998882169 /nfs/dbraw/zinc/88/21/69/998882169.db2.gz FEWUWAKQKAEEGR-STQMWFEESA-N -1 0 319.401 3.676 20 0 DHADRM C[C@H]1C[C@@H](CCNC(=O)c2ccc(C(=O)[O-])o2)CC(C)(C)C1 ZINC001594237408 998904386 /nfs/dbraw/zinc/90/43/86/998904386.db2.gz XWSVNECLEHUQGY-NWDGAFQWSA-N -1 0 307.390 3.560 20 0 DHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014255552 1016273503 /nfs/dbraw/zinc/27/35/03/1016273503.db2.gz APOCDCLKRITUGI-UHFFFAOYSA-N -1 0 311.353 3.636 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001594269423 999041300 /nfs/dbraw/zinc/04/13/00/999041300.db2.gz JMQIDEIFDUYFOB-KBXCAEBGSA-N -1 0 323.392 3.537 20 0 DHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594287068 999110506 /nfs/dbraw/zinc/11/05/06/999110506.db2.gz SVGZVNHWZRLFAN-JXFSHQFZSA-N -1 0 316.397 3.636 20 0 DHADRM CC1C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001594290456 999118029 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20 0 DHADRM C[C@H]1CC[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001594303142 999173007 /nfs/dbraw/zinc/17/30/07/999173007.db2.gz VAGYBJNQOCRBRG-STQMWFEESA-N -1 0 304.386 3.781 20 0 DHADRM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001594303184 999173217 /nfs/dbraw/zinc/17/32/17/999173217.db2.gz WHDABXHGRWQJDJ-BDAKNGLRSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H]1CCC(F)(F)CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594307468 999187715 /nfs/dbraw/zinc/18/77/15/999187715.db2.gz ZDMNUWYLEKVZMK-SECBINFHSA-N -1 0 303.736 3.658 20 0 DHADRM CO[C@@H](COc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC001599055695 999227939 /nfs/dbraw/zinc/22/79/39/999227939.db2.gz HANPYUQJYNFERU-CQSZACIVSA-N -1 0 320.772 3.675 20 0 DHADRM C[C@@H]1CC[C@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@@H]1C ZINC001594329436 999266290 /nfs/dbraw/zinc/26/62/90/999266290.db2.gz ZTNJNVZAGBUYDF-AFBIRSRNSA-N -1 0 308.418 3.780 20 0 DHADRM CC(C)(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)s1 ZINC000277415943 1016300539 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C[C@H]1CCC[C@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594359828 999360977 /nfs/dbraw/zinc/36/09/77/999360977.db2.gz OLKQVHFERXTGQP-IUCAKERBSA-N -1 0 302.296 3.647 20 0 DHADRM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594360118 999361931 /nfs/dbraw/zinc/36/19/31/999361931.db2.gz RLSGOHUVZXIFKH-NHYWBVRUSA-N -1 0 312.369 3.848 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001594362229 999369738 /nfs/dbraw/zinc/36/97/38/999369738.db2.gz WZRCOSWUURAKPP-CJNGLKHVSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594363993 999374528 /nfs/dbraw/zinc/37/45/28/999374528.db2.gz QHOXUIMTDXKDQH-STQMWFEESA-N -1 0 318.417 3.606 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594363973 999374735 /nfs/dbraw/zinc/37/47/35/999374735.db2.gz PRMPCZMDVIVWIR-VNQPRFMTSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@H]1CCCCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594374724 999412252 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Cc1cc(C)nc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000622455313 1016412993 /nfs/dbraw/zinc/41/29/93/1016412993.db2.gz NGCIIQMUBZVTLN-UHFFFAOYSA-N -1 0 310.275 3.675 20 0 DHADRM Cc1csc([C@@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])n1 ZINC000622519183 1016445125 /nfs/dbraw/zinc/44/51/25/1016445125.db2.gz TUZHBGJPJKKKRZ-ZETCQYMHSA-N -1 0 314.769 3.692 20 0 DHADRM CSc1ccccc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000444059313 1016592883 /nfs/dbraw/zinc/59/28/83/1016592883.db2.gz QXVIZXWNDABINL-UHFFFAOYSA-N -1 0 322.455 3.728 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC000582345052 1016610432 /nfs/dbraw/zinc/61/04/32/1016610432.db2.gz MSWMPQJLFQAOSI-QGZVFWFLSA-N -1 0 304.390 3.719 20 0 DHADRM COc1cc(OC)c(F)c(Nc2cc(C)cc(C(=O)[O-])c2)c1F ZINC001211543232 1016642465 /nfs/dbraw/zinc/64/24/65/1016642465.db2.gz ZOWZPLCCBADREO-UHFFFAOYSA-N -1 0 323.295 3.732 20 0 DHADRM O=C([O-])c1cccc2oc(/C=C/c3ccc(F)cc3F)nc21 ZINC000684845184 1016662471 /nfs/dbraw/zinc/66/24/71/1016662471.db2.gz 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1017238278 /nfs/dbraw/zinc/23/82/78/1017238278.db2.gz WAFSEDIYYFRPDI-ONEGZZNKSA-N -1 0 304.296 3.747 20 0 DHADRM CC(C)(C(=O)[N-]C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001146534895 1032225608 /nfs/dbraw/zinc/22/56/08/1032225608.db2.gz PGKHIXKWSUEERV-UHFFFAOYSA-N -1 0 324.224 3.599 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1 ZINC000237488690 1032234733 /nfs/dbraw/zinc/23/47/33/1032234733.db2.gz YDVYVXHWEULDJO-OFFHKIPUSA-N -1 0 313.328 3.666 20 0 DHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cccc(C)n1 ZINC001147210455 1032289190 /nfs/dbraw/zinc/28/91/90/1032289190.db2.gz RUNVXMWRUKSNNG-UHFFFAOYSA-N -1 0 319.455 3.790 20 0 DHADRM CC(C)c1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)no1 ZINC001147487193 1032319694 /nfs/dbraw/zinc/31/96/94/1032319694.db2.gz NGTLMIHMEDNKAC-UHFFFAOYSA-N -1 0 319.411 3.949 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)[C@H]1c1ccccc1 ZINC001148191142 1032372626 /nfs/dbraw/zinc/37/26/26/1032372626.db2.gz KBNHUIQGCUYVJE-MEDUHNTESA-N -1 0 301.773 3.879 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2cccc3c(C)c(C)[nH]c32)ccc1O ZINC001148664881 1032432515 /nfs/dbraw/zinc/43/25/15/1032432515.db2.gz TYPRCHXBPFADCW-UHFFFAOYSA-N -1 0 322.364 3.945 20 0 DHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1F ZINC000121446619 1032445618 /nfs/dbraw/zinc/44/56/18/1032445618.db2.gz ZDTAFZYDUXEFLD-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM O=C(Nc1ccc[nH]c1=S)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806095 1032446389 /nfs/dbraw/zinc/44/63/89/1032446389.db2.gz ZBRFBPJLSKYTIG-UHFFFAOYSA-N -1 0 315.181 3.635 20 0 DHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C)cc1O ZINC000121467445 1032447705 /nfs/dbraw/zinc/44/77/05/1032447705.db2.gz XCKIBJFTXLZTAC-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCCc2ccc(O)c(F)c2)C1 ZINC000476579992 1032451724 /nfs/dbraw/zinc/45/17/24/1032451724.db2.gz WHMMCPXFQADQOP-HZSPNIEDSA-N -1 0 307.409 3.747 20 0 DHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179720199 1017290155 /nfs/dbraw/zinc/29/01/55/1017290155.db2.gz 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1012079962 /nfs/dbraw/zinc/07/99/62/1012079962.db2.gz VIXHYAQUZQEAJT-GXFFZTMASA-N -1 0 313.319 3.816 20 0 DHADRM O=c1cc(C2CCCC2)[n-]n1-c1cc(Cl)nc2ncccc12 ZINC000887295149 1032603341 /nfs/dbraw/zinc/60/33/41/1032603341.db2.gz YMXFVCZKUWSSPS-UHFFFAOYSA-N -1 0 314.776 3.566 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000579789517 1012144607 /nfs/dbraw/zinc/14/46/07/1012144607.db2.gz UKFXBGQRHXZSDE-MRXNPFEDSA-N -1 0 312.369 3.699 20 0 DHADRM CN(C[C@H]1CC=CCC1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000654997375 1012259194 /nfs/dbraw/zinc/25/91/94/1012259194.db2.gz ZINLLAHRTHTQRG-NSHDSACASA-N -1 0 313.319 3.839 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000655050029 1012330322 /nfs/dbraw/zinc/33/03/22/1012330322.db2.gz RCHFITHVLNWDEI-QGZVFWFLSA-N -1 0 316.405 3.641 20 0 DHADRM [O-]c1cc(Cl)ccc1-c1nc(COc2ccccc2)no1 ZINC000109037560 1012406561 /nfs/dbraw/zinc/40/65/61/1012406561.db2.gz XZKMDVWDVMXAOG-UHFFFAOYSA-N -1 0 302.717 3.675 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314661964 1012464963 /nfs/dbraw/zinc/46/49/63/1012464963.db2.gz HVRYMQQMRCCGII-BNOWGMLFSA-N -1 0 321.804 3.526 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC2(CC2(F)F)C1 ZINC000655186204 1012544553 /nfs/dbraw/zinc/54/45/53/1012544553.db2.gz WXKBOFYTDHAXKH-UHFFFAOYSA-N -1 0 323.726 3.680 20 0 DHADRM CCC[C@](C)(NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000036339182 1012552487 /nfs/dbraw/zinc/55/24/87/1012552487.db2.gz FTVKMZQWHPCNLQ-ZDUSSCGKSA-N -1 0 322.163 3.506 20 0 DHADRM Cc1ccnc(NC(=O)c2ccc(Cl)cc2[O-])c1C1CC1 ZINC000857646422 1032639333 /nfs/dbraw/zinc/63/93/33/1032639333.db2.gz BCHUUAXZMMDTRS-UHFFFAOYSA-N -1 0 302.761 3.879 20 0 DHADRM Cc1ccnc(NC(=O)c2cc(Cl)ccc2[O-])c1C1CC1 ZINC000857646748 1032639582 /nfs/dbraw/zinc/63/95/82/1032639582.db2.gz LWGZQDQRTICCFY-UHFFFAOYSA-N -1 0 302.761 3.879 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000659228015 1012714655 /nfs/dbraw/zinc/71/46/55/1012714655.db2.gz OEXVHLMXBSBGPO-UHFFFAOYSA-N -1 0 305.418 3.602 20 0 DHADRM CCC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1O ZINC000396792987 1012840401 /nfs/dbraw/zinc/84/04/01/1012840401.db2.gz UNEZMUHXLATOJJ-LLVKDONJSA-N -1 0 312.207 3.559 20 0 DHADRM C[C@H](Nc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000517048291 1012896531 /nfs/dbraw/zinc/89/65/31/1012896531.db2.gz MDHKFBJYQVYNHD-ZDUSSCGKSA-N -1 0 324.380 3.663 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2c2nc(C(=O)[O-])co2)cc1 ZINC000517238977 1012939805 /nfs/dbraw/zinc/93/98/05/1012939805.db2.gz NWIMZVYBOFMSND-HNNXBMFYSA-N -1 0 300.358 3.838 20 0 DHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C)c1ccccc1 ZINC000180114109 1013040965 /nfs/dbraw/zinc/04/09/65/1013040965.db2.gz JVXZXRFJCUASHM-ZJUUUORDSA-N -1 0 323.314 3.732 20 0 DHADRM O=C(c1cccc(Cl)c1[O-])N(CC(F)F)c1ccccc1 ZINC001126800524 1032682994 /nfs/dbraw/zinc/68/29/94/1032682994.db2.gz UVMKJRXPWBQXKQ-UHFFFAOYSA-N -1 0 311.715 3.958 20 0 DHADRM C[C@@H]1CO[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)C1 ZINC000897226519 1017174107 /nfs/dbraw/zinc/17/41/07/1017174107.db2.gz FNDVCFZPQDPNQM-YLWLKBPMSA-N -1 0 324.591 3.716 20 0 DHADRM C[C@H]1CO[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)C1 ZINC000897226516 1017174501 /nfs/dbraw/zinc/17/45/01/1017174501.db2.gz FNDVCFZPQDPNQM-SVGQVSJJSA-N -1 0 324.591 3.716 20 0 DHADRM Cc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)c1F ZINC000634828084 1017187325 /nfs/dbraw/zinc/18/73/25/1017187325.db2.gz NCDCTURYASDLQP-INIZCTEOSA-N -1 0 321.373 3.567 20 0 DHADRM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1O ZINC000179197069 1017223061 /nfs/dbraw/zinc/22/30/61/1017223061.db2.gz GLPPRGKJMWIEML-UHFFFAOYSA-N -1 0 321.735 3.786 20 0 DHADRM CC(C)(C)N1CC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000897272314 1017226095 /nfs/dbraw/zinc/22/60/95/1017226095.db2.gz BTBSOICXCKCHQO-LLVKDONJSA-N -1 0 317.216 3.510 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cnc1Cl ZINC000303728474 1017434590 /nfs/dbraw/zinc/43/45/90/1017434590.db2.gz YJPPLBJWVSISER-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CC(C)c1noc([N-][C@H](c2nccs2)c2ccccc2)n1 ZINC000119884076 1017664079 /nfs/dbraw/zinc/66/40/79/1017664079.db2.gz DELMMMSHQBWLSC-LBPRGKRZSA-N -1 0 300.387 3.851 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1C ZINC000182021982 1017851024 /nfs/dbraw/zinc/85/10/24/1017851024.db2.gz MEXGVXQMWYEKTA-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CCC(CC)n1nccc1-c1nc(-c2ccc(O)cc2F)no1 ZINC000445465621 1017864619 /nfs/dbraw/zinc/86/46/19/1017864619.db2.gz ZYMCNDUGENOBEQ-UHFFFAOYSA-N -1 0 316.336 3.806 20 0 DHADRM Oc1ccc(-c2noc(Cc3ccc4c(c3)CCC4)n2)c(F)c1 ZINC000445465584 1017864826 /nfs/dbraw/zinc/86/48/26/1017864826.db2.gz ZOAYAZAMRNZYPC-UHFFFAOYSA-N -1 0 310.328 3.661 20 0 DHADRM C[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)[C@@H]2CCCC[C@H]12 ZINC000674138330 1017868337 /nfs/dbraw/zinc/86/83/37/1017868337.db2.gz ZHCHEXCWGDGUFK-MPKXVKKWSA-N -1 0 309.356 3.711 20 0 DHADRM CSc1ccncc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000674258432 1017919136 /nfs/dbraw/zinc/91/91/36/1017919136.db2.gz LSUCSYBEHKJJMT-UHFFFAOYSA-N 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ZINC000675127003 1018264283 /nfs/dbraw/zinc/26/42/83/1018264283.db2.gz XQJGVSSBGJPJCS-UHFFFAOYSA-N -1 0 311.410 3.695 20 0 DHADRM Cc1oncc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212530057 1018267575 /nfs/dbraw/zinc/26/75/75/1018267575.db2.gz HZYRDMFEOYIJMD-UHFFFAOYSA-N -1 0 316.367 3.598 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(C)c1 ZINC000446968087 1018309646 /nfs/dbraw/zinc/30/96/46/1018309646.db2.gz XRULCGOQBJFLJE-UHFFFAOYSA-N -1 0 322.455 3.828 20 0 DHADRM O=C(OCc1ccc(C(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000764554960 1018315538 /nfs/dbraw/zinc/31/55/38/1018315538.db2.gz UFIXXWZTMYKJEH-UHFFFAOYSA-N -1 0 314.234 3.965 20 0 DHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c([O-])cccc1F ZINC000125466131 1018487881 /nfs/dbraw/zinc/48/78/81/1018487881.db2.gz KZAJIPBAHXRJGG-NSHDSACASA-N -1 0 321.779 3.888 20 0 DHADRM O=Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])ccc3CO)cc2)o1 ZINC000874970200 1032774005 /nfs/dbraw/zinc/77/40/05/1032774005.db2.gz MTLFDNUKNMTZTQ-UHFFFAOYSA-N -1 0 322.316 3.617 20 0 DHADRM CCc1onc(-c2ccc(-c3ccc(C=O)o3)cc2)c1C(=O)[O-] ZINC000874971407 1032773198 /nfs/dbraw/zinc/77/31/98/1032773198.db2.gz FRDSRNOVWMVGST-UHFFFAOYSA-N -1 0 311.293 3.675 20 0 DHADRM Cc1ccc(Nc2cc(-c3ccccc3)nn2C)cc1C(=O)[O-] ZINC001211594293 1018631621 /nfs/dbraw/zinc/63/16/21/1018631621.db2.gz RDESKUSAMXLYBW-UHFFFAOYSA-N -1 0 307.353 3.837 20 0 DHADRM CC[C@H](CC(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(C)cc1 ZINC000675973217 1018641508 /nfs/dbraw/zinc/64/15/08/1018641508.db2.gz QKNPQQNFISZRQF-MRXNPFEDSA-N -1 0 317.429 3.592 20 0 DHADRM O=Cc1ccc(-c2cccc(-n3cccc3C(=O)[O-])c2)cc1F ZINC000874973503 1032776573 /nfs/dbraw/zinc/77/65/73/1032776573.db2.gz WQBIJFCLUJUGKR-UHFFFAOYSA-N -1 0 309.296 3.794 20 0 DHADRM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2C(F)(F)F)s1 ZINC000874972414 1032777230 /nfs/dbraw/zinc/77/72/30/1032777230.db2.gz BGQZWXUKEVGNFH-UHFFFAOYSA-N -1 0 300.257 3.945 20 0 DHADRM Cc1ccc(Nc2cc(-c3ccncc3)c[nH]c2=O)cc1C(=O)[O-] ZINC001211596271 1018663027 /nfs/dbraw/zinc/66/30/27/1018663027.db2.gz 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CCC(CC)(CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC000010821748 1018847292 /nfs/dbraw/zinc/84/72/92/1018847292.db2.gz NJQIEFMPKZNOJE-INIZCTEOSA-N -1 0 323.408 3.920 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(C2CC2)c1)c1ccccc1 ZINC000656234787 1018981605 /nfs/dbraw/zinc/98/16/05/1018981605.db2.gz QOTWDOFIDTUXGR-SCLBCKFNSA-N -1 0 323.392 3.756 20 0 DHADRM O=S(=O)([N-]c1cccc2ccccc21)c1c(F)cccc1F ZINC000007053580 1018999748 /nfs/dbraw/zinc/99/97/48/1018999748.db2.gz XFFMMVPZMJYLHK-UHFFFAOYSA-N -1 0 319.332 3.919 20 0 DHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000007056377 1019001509 /nfs/dbraw/zinc/00/15/09/1019001509.db2.gz FNWVECBHPPUGCG-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000923083555 1019019584 /nfs/dbraw/zinc/01/95/84/1019019584.db2.gz PXSRVYOKVHPVCT-VIRABCJISA-N -1 0 301.386 3.640 20 0 DHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccsc1C(F)F ZINC000923097477 1019024747 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O=C([O-])[C@H](CC(=O)Nc1cccc(F)c1Cl)c1ccccc1 ZINC000672248778 1019050527 /nfs/dbraw/zinc/05/05/27/1019050527.db2.gz MPLRQKKOZWOEQE-LLVKDONJSA-N -1 0 321.735 3.676 20 0 DHADRM CCCN(CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923231062 1019078383 /nfs/dbraw/zinc/07/83/83/1019078383.db2.gz NLADNAUNEJKDEJ-UHFFFAOYSA-N -1 0 324.490 3.690 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\c2cccs2)cc1)C(=O)[O-] ZINC000588593028 1019083780 /nfs/dbraw/zinc/08/37/80/1019083780.db2.gz JVIDNFZXEVCCLS-LAUAKBEESA-N -1 0 315.394 3.663 20 0 DHADRM CSc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013256043 1019117574 /nfs/dbraw/zinc/11/75/74/1019117574.db2.gz IBMKCJNZQUVJGG-HNNXBMFYSA-N -1 0 315.394 3.606 20 0 DHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000013252616 1019118436 /nfs/dbraw/zinc/11/84/36/1019118436.db2.gz DXHDXYLRPGQAGD-LBPRGKRZSA-N -1 0 321.735 3.676 20 0 DHADRM CSc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013253624 1019118715 /nfs/dbraw/zinc/11/87/15/1019118715.db2.gz 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CC[C@H](C)[C@H](C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000322137025 1019335785 /nfs/dbraw/zinc/33/57/85/1019335785.db2.gz QKUVRXQEVWWLDU-YBKUAAOGSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)CC(C)(C)C(=O)[O-] ZINC000087725874 1019365670 /nfs/dbraw/zinc/36/56/70/1019365670.db2.gz IPGNBDDWMHRGJC-UHFFFAOYSA-N -1 0 311.809 3.578 20 0 DHADRM Cc1nc2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2s1 ZINC000066043264 1019478630 /nfs/dbraw/zinc/47/86/30/1019478630.db2.gz BFMMAFLSQBOEAN-UHFFFAOYSA-N -1 0 320.320 3.841 20 0 DHADRM Cc1cccc(C)c1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013469324 1019482085 /nfs/dbraw/zinc/48/20/85/1019482085.db2.gz WBMQJHKZYQTOON-IBGZPJMESA-N -1 0 311.381 3.675 20 0 DHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCC[C@@H]1c1ccccc1 ZINC000514897734 1019585729 /nfs/dbraw/zinc/58/57/29/1019585729.db2.gz ZDNSLFVDOXWJFB-QGZVFWFLSA-N -1 0 322.412 3.535 20 0 DHADRM COCCCOc1ccc(-c2cccc(C)c2C(=O)[O-])cc1 ZINC000657206956 1019608624 /nfs/dbraw/zinc/60/86/24/1019608624.db2.gz 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C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc2ccccc21 ZINC000653297459 1021859032 /nfs/dbraw/zinc/85/90/32/1021859032.db2.gz SHYUPHTWAHDSRF-JLTOFOAXSA-N -1 0 323.392 3.828 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851624179 1021952202 /nfs/dbraw/zinc/95/22/02/1021952202.db2.gz AIMOMSMWBKRJJA-IBFHOGNFSA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000851600460 1021952363 /nfs/dbraw/zinc/95/23/63/1021952363.db2.gz IMZHIAWJICWPNE-QLPKVWCKSA-N -1 0 309.450 3.744 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000851601005 1021952863 /nfs/dbraw/zinc/95/28/63/1021952863.db2.gz ZMTPFTZHFLOUKJ-KRWDZBQOSA-N -1 0 320.364 3.583 20 0 DHADRM Cc1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)cc1C ZINC000190654185 1021991825 /nfs/dbraw/zinc/99/18/25/1021991825.db2.gz RSKAQDYNXAICAE-UHFFFAOYSA-N -1 0 317.429 3.685 20 0 DHADRM CCC[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142095 1022019549 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ZINC000153546073 1022221804 /nfs/dbraw/zinc/22/18/04/1022221804.db2.gz RKIOTSJLIWFRSF-UHFFFAOYSA-N -1 0 303.745 3.647 20 0 DHADRM CC1(C)CN(C(=O)CC2(C(=O)[O-])CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000378662239 1022271823 /nfs/dbraw/zinc/27/18/23/1022271823.db2.gz AKROCZKJKHBXMP-HUUCEWRRSA-N -1 0 321.461 3.839 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)o1 ZINC000182765591 1022307347 /nfs/dbraw/zinc/30/73/47/1022307347.db2.gz DLKMBSMPSBQODD-UHFFFAOYSA-N -1 0 301.367 3.850 20 0 DHADRM O=c1cc(CNc2ccc3nc(C(F)(F)F)ccc3c2)o[n-]1 ZINC001169485619 1022418916 /nfs/dbraw/zinc/41/89/16/1022418916.db2.gz RLRWVDKYEAEKKD-UHFFFAOYSA-N -1 0 309.247 3.559 20 0 DHADRM C[C@H]1CC(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C[C@H](C)C1 ZINC000615282723 1022442143 /nfs/dbraw/zinc/44/21/43/1022442143.db2.gz LQVYMLZRSCZPDA-VXGBXAGGSA-N -1 0 313.401 3.793 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281236 1022442185 /nfs/dbraw/zinc/44/21/85/1022442185.db2.gz NWOXGGVGSJOJPO-GXTWGEPZSA-N -1 0 313.401 3.937 20 0 DHADRM Cc1cccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000237626538 1022470830 /nfs/dbraw/zinc/47/08/30/1022470830.db2.gz FNLMLKLRMZLQPY-XYOKQWHBSA-N -1 0 309.365 3.664 20 0 DHADRM CCOC(=O)C[C@H](Nc1cc(F)ccc1[S-])c1cccnc1 ZINC001169679631 1022497253 /nfs/dbraw/zinc/49/72/53/1022497253.db2.gz QVCBQWGVAKXQLY-ZDUSSCGKSA-N -1 0 320.389 3.616 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2ccc3oc(=S)[n-]c3c2)CC12CCC2 ZINC000854595620 1022501233 /nfs/dbraw/zinc/50/12/33/1022501233.db2.gz HMZANZNDXYWESV-AWEZNQCLSA-N -1 0 316.426 3.767 20 0 DHADRM O=C(C[C@H]1CCC(F)(F)C1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854645119 1022506820 /nfs/dbraw/zinc/50/68/20/1022506820.db2.gz YSKJUVMNOKBDCP-SNVBAGLBSA-N -1 0 321.327 3.546 20 0 DHADRM Cc1cc(Nc2cc(-c3ccccc3O)no2)ccc1C(=O)[O-] ZINC001211652756 1022530615 /nfs/dbraw/zinc/53/06/15/1022530615.db2.gz OJRRHEJPJCOFIX-UHFFFAOYSA-N -1 0 310.309 3.797 20 0 DHADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000854888654 1022540953 /nfs/dbraw/zinc/54/09/53/1022540953.db2.gz QZJXBNDHYHYECS-WDEREUQCSA-N -1 0 304.415 3.767 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C1CCSCC1 ZINC000273610599 1022544066 /nfs/dbraw/zinc/54/40/66/1022544066.db2.gz LTVHVZSXXYXNPF-UHFFFAOYSA-N -1 0 306.214 3.781 20 0 DHADRM CC(C)CCCCCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000766824611 1022549495 /nfs/dbraw/zinc/54/94/95/1022549495.db2.gz YHDMANGURMLDQC-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1Cl ZINC000314241733 1022573458 /nfs/dbraw/zinc/57/34/58/1022573458.db2.gz IQYDYLJVYHIIJO-GFCCVEGCSA-N -1 0 323.820 3.942 20 0 DHADRM CCC[C@](C)(NC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000314318907 1022578341 /nfs/dbraw/zinc/57/83/41/1022578341.db2.gz YHDUJDHLVNOCHQ-KRWDZBQOSA-N -1 0 300.358 3.605 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000364014584 1022588801 /nfs/dbraw/zinc/58/88/01/1022588801.db2.gz RSBZJWMXMMJMFB-ZDUSSCGKSA-N -1 0 319.763 3.814 20 0 DHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000179954823 1022594351 /nfs/dbraw/zinc/59/43/51/1022594351.db2.gz YLVLFFIWPJNYFL-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c(O)c1 ZINC000621173149 1022602875 /nfs/dbraw/zinc/60/28/75/1022602875.db2.gz ZDPZHCSMUYWAKF-GOSISDBHSA-N -1 0 322.408 3.717 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(C2CCC2)CC1 ZINC000855437938 1022633720 /nfs/dbraw/zinc/63/37/20/1022633720.db2.gz SNUXIUCREWOACD-UHFFFAOYSA-N -1 0 316.426 3.769 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)CC2)c1 ZINC000767090578 1022642969 /nfs/dbraw/zinc/64/29/69/1022642969.db2.gz GRTZDQLRUXPIQQ-YFHOEESVSA-N -1 0 321.376 3.763 20 0 DHADRM C/C(=C\C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1Cl ZINC000767185478 1022659192 /nfs/dbraw/zinc/65/91/92/1022659192.db2.gz DWSFVKYZTGCHGB-ZRDIBKRKSA-N -1 0 321.804 3.505 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201242 1022662674 /nfs/dbraw/zinc/66/26/74/1022662674.db2.gz ZYDULIXSFCKRHH-NSHDSACASA-N -1 0 315.344 3.829 20 0 DHADRM CCCc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000621248183 1022669944 /nfs/dbraw/zinc/66/99/44/1022669944.db2.gz XTSCRPMEOMRAPI-SECBINFHSA-N -1 0 310.444 3.706 20 0 DHADRM CC[C@H](C)Oc1ccccc1-c1cc(C(=O)[O-])c(C)[nH]c1=O ZINC000584730678 1022672145 /nfs/dbraw/zinc/67/21/45/1022672145.db2.gz BKNOERRQNJWPJH-JTQLQIEISA-N -1 0 301.342 3.638 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000238130924 1022701851 /nfs/dbraw/zinc/70/18/51/1022701851.db2.gz MJWRGANRLRENMO-UHFFFAOYSA-N -1 0 323.776 3.851 20 0 DHADRM O=C(Nc1cnc(Cl)cc1Cl)c1cccc(Cl)c1[O-] ZINC001129367560 1022723458 /nfs/dbraw/zinc/72/34/58/1022723458.db2.gz PHVZYOBSUWGGAZ-UHFFFAOYSA-N -1 0 317.559 4.000 20 0 DHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1)C(=O)[O-] ZINC000068726544 1022734535 /nfs/dbraw/zinc/73/45/35/1022734535.db2.gz PQEVNPCMJUFGAZ-OFFHKIPUSA-N -1 0 314.312 3.574 20 0 DHADRM Cc1ccc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000417528867 1022773971 /nfs/dbraw/zinc/77/39/71/1022773971.db2.gz FZFFTOXNGFVMQC-HNNXBMFYSA-N -1 0 318.442 3.665 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621565319 1022788205 /nfs/dbraw/zinc/78/82/05/1022788205.db2.gz OVVDTMZSTZGEJZ-VIFPVBQESA-N -1 0 315.316 3.751 20 0 DHADRM CCCC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(C)C ZINC000621536644 1022790149 /nfs/dbraw/zinc/79/01/49/1022790149.db2.gz SCZFOIQOMCVZFJ-QGZVFWFLSA-N -1 0 317.429 3.732 20 0 DHADRM CCc1ccc([C@H](NCc2ccc(SC)s2)C(=O)[O-])cc1 ZINC000417583669 1022793906 /nfs/dbraw/zinc/79/39/06/1022793906.db2.gz MHINLVLGWQPZOV-HNNXBMFYSA-N -1 0 321.467 3.948 20 0 DHADRM COc1ccc(F)cc1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000417592094 1022798879 /nfs/dbraw/zinc/79/88/79/1022798879.db2.gz XRIDFVIOIMYAJV-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM O=C([O-])[C@]12CN(C(=O)c3ccc4ccccc4c3)C[C@H]1CCCC2 ZINC000621613905 1022799361 /nfs/dbraw/zinc/79/93/61/1022799361.db2.gz RGQUOEKFZMQQIY-YLJYHZDGSA-N -1 0 323.392 3.557 20 0 DHADRM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ncc(C(=O)[O-])s1 ZINC000621611703 1022799863 /nfs/dbraw/zinc/79/98/63/1022799863.db2.gz JIHOWIIUWWNZPY-WDEREUQCSA-N -1 0 324.446 3.625 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610164 1022800416 /nfs/dbraw/zinc/80/04/16/1022800416.db2.gz CJSZIYBIGNUYMD-QWRGUYRKSA-N -1 0 312.435 3.625 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000616975608 1022815622 /nfs/dbraw/zinc/81/56/22/1022815622.db2.gz GCRGHMJMFGSLMP-MRVPVSSYSA-N -1 0 318.186 3.554 20 0 DHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000857009412 1022920374 /nfs/dbraw/zinc/92/03/74/1022920374.db2.gz BPLFBMDUVNGEJO-CJTWTEFWSA-N -1 0 323.458 3.566 20 0 DHADRM Cc1cc(Nc2ccc3nnc(C4CCC4)n3c2)ccc1C(=O)[O-] ZINC001211654921 1022937230 /nfs/dbraw/zinc/93/72/30/1022937230.db2.gz DWRWCUGBFOUZFI-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM Cc1cc(Nc2cnc3cc(C(C)(C)C)nn3c2)ccc1C(=O)[O-] ZINC001211655004 1022942413 /nfs/dbraw/zinc/94/24/13/1022942413.db2.gz JNVUBWCKAXKYBM-UHFFFAOYSA-N -1 0 324.384 3.777 20 0 DHADRM Cc1cc(Nc2ccc3nnc(C(C)C)n3c2)ccc1C(=O)[O-] ZINC001211655124 1022945065 /nfs/dbraw/zinc/94/50/65/1022945065.db2.gz NWPDWNGWEDNROX-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000659155605 1022963130 /nfs/dbraw/zinc/96/31/30/1022963130.db2.gz ZEPQLUFBBGPHRW-KGLIPLIRSA-N -1 0 317.429 3.502 20 0 DHADRM CCCC[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C(C)C ZINC000622032774 1023005651 /nfs/dbraw/zinc/00/56/51/1023005651.db2.gz VTRVUBPAAAVBDJ-AWEZNQCLSA-N -1 0 316.405 3.578 20 0 DHADRM CN(CCC(C)(C)C)C(=O)c1ccc(Br)c(O)c1 ZINC000399751080 1023006879 /nfs/dbraw/zinc/00/68/79/1023006879.db2.gz AESGOPFYDXIYDW-UHFFFAOYSA-N -1 0 314.223 3.663 20 0 DHADRM CC[C@H](Oc1ccccc1Cl)C(=O)[N-]OC1CCCCC1 ZINC000857493395 1023022219 /nfs/dbraw/zinc/02/22/19/1023022219.db2.gz YFAJLOAINJMCCA-AWEZNQCLSA-N -1 0 311.809 3.878 20 0 DHADRM CCC(CC)(CC(=O)N(C)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000386763464 1023067958 /nfs/dbraw/zinc/06/79/58/1023067958.db2.gz GAAPEUZDRRWRPW-GFCCVEGCSA-N -1 0 309.381 3.626 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccccc1 ZINC000652055728 1023102415 /nfs/dbraw/zinc/10/24/15/1023102415.db2.gz LIDOFIYPNPFYNB-IKGGRYGDSA-N -1 0 315.413 3.535 20 0 DHADRM Cc1cc2c[nH]nc2c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769247807 1023107498 /nfs/dbraw/zinc/10/74/98/1023107498.db2.gz NNZSNOUAJWQCGX-UHFFFAOYSA-N -1 0 324.365 3.554 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(C)=C2CCC2)cc1 ZINC000909325490 1023147836 /nfs/dbraw/zinc/14/78/36/1023147836.db2.gz KZTXELJDJXVYPB-HNNXBMFYSA-N -1 0 319.426 3.541 20 0 DHADRM C/C(=C\C(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000769487330 1023152213 /nfs/dbraw/zinc/15/22/13/1023152213.db2.gz ZBQCSXYXKYMULL-ACCUITESSA-N -1 0 323.820 3.895 20 0 DHADRM CCN(C(=O)c1c([O-])cccc1Cl)c1ccc(OC)cc1 ZINC000769684490 1023188616 /nfs/dbraw/zinc/18/86/16/1023188616.db2.gz MTCFYDXMFLFFIN-UHFFFAOYSA-N -1 0 305.761 3.721 20 0 DHADRM O=C(c1c(O)cccc1Cl)N(Cc1cccs1)C1CC1 ZINC000769666333 1023192481 /nfs/dbraw/zinc/19/24/81/1023192481.db2.gz FTXUJLCYVMATIK-UHFFFAOYSA-N -1 0 307.802 3.912 20 0 DHADRM O=C(Nc1cc(F)c(F)cc1F)c1c([O-])cccc1Cl ZINC000769769493 1023205001 /nfs/dbraw/zinc/20/50/01/1023205001.db2.gz MYUSJZLLKSLBHX-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1Cl ZINC001211658101 1023226047 /nfs/dbraw/zinc/22/60/47/1023226047.db2.gz AOSJEYNOKJESBN-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM COc1ccccc1-c1ccc(CN=c2[n-]c(C(C)C)no2)cc1 ZINC000538607722 1033115615 /nfs/dbraw/zinc/11/56/15/1033115615.db2.gz PHFKUOVYUPAHCY-UHFFFAOYSA-N -1 0 323.396 3.903 20 0 DHADRM CC(C)C[C@H](CNC(=O)C(C)(C)Cc1ccccc1)CC(=O)[O-] ZINC000652087464 1023245102 /nfs/dbraw/zinc/24/51/02/1023245102.db2.gz HJLOGZOXCWQRQJ-INIZCTEOSA-N -1 0 319.445 3.509 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1oc(CC)cc1C)C(=O)[O-] ZINC000236704513 1023254709 /nfs/dbraw/zinc/25/47/09/1023254709.db2.gz XLDQOCDTXTTZQI-QGZVFWFLSA-N -1 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309.450 3.839 20 0 DHADRM COc1cccc(O)c1C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001167883368 1025132717 /nfs/dbraw/zinc/13/27/17/1025132717.db2.gz GJZQZOCPNDVNOT-OAHLLOKOSA-N -1 0 317.429 3.833 20 0 DHADRM O=C(CCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230872329 1025147443 /nfs/dbraw/zinc/14/74/43/1025147443.db2.gz KXXPWEOGAKQYAA-UHFFFAOYSA-N -1 0 302.079 3.980 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000436577331 1025169962 /nfs/dbraw/zinc/16/99/62/1025169962.db2.gz OGCTUHOWROPOIT-MNOVXSKESA-N -1 0 315.291 3.512 20 0 DHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000279713226 1025172754 /nfs/dbraw/zinc/17/27/54/1025172754.db2.gz AXOPLNGPEAEWCN-ZYHUDNBSSA-N -1 0 320.414 3.650 20 0 DHADRM C[C@]12CC3CC(C(=O)NOCC(F)(F)F)(C1)C[C@@](C)(C3)C2 ZINC000135212028 1025194645 /nfs/dbraw/zinc/19/46/45/1025194645.db2.gz LNPVWQSKPGKNNP-AMZBWDOQSA-N -1 0 305.340 3.593 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535825 1025239846 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MTXLLRPSBIWLJF-LLVKDONJSA-N -1 0 309.793 3.504 20 0 DHADRM Cc1oc(C2CC2)nc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000354752908 1025496322 /nfs/dbraw/zinc/49/63/22/1025496322.db2.gz FUGWXBRTFIMTAY-UHFFFAOYSA-N -1 0 310.712 3.611 20 0 DHADRM COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC000805254749 1025565865 /nfs/dbraw/zinc/56/58/65/1025565865.db2.gz DCSCTVCTJIAEQJ-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C12CC(C(F)(F)F)(C1)C2 ZINC000805256846 1025568560 /nfs/dbraw/zinc/56/85/60/1025568560.db2.gz ZNPDHZWYHBMVEP-UHFFFAOYSA-N -1 0 323.673 3.856 20 0 DHADRM COCc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805258220 1025569293 /nfs/dbraw/zinc/56/92/93/1025569293.db2.gz DNLKSJDTWHNKKW-UHFFFAOYSA-N -1 0 309.724 3.583 20 0 DHADRM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000075162527 1025833058 /nfs/dbraw/zinc/83/30/58/1025833058.db2.gz OEMXWASHHZFOSI-VHSXEESVSA-N -1 0 319.430 3.552 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2ccnn2-c2ccccc2)c1 ZINC001211961102 1025842342 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CCc1nc(=N[C@@H](C)c2ccc(F)c3ccccc32)s[n-]1 ZINC000571477074 1026303970 /nfs/dbraw/zinc/30/39/70/1026303970.db2.gz XCGPSTGBTSRURK-JTQLQIEISA-N -1 0 301.390 3.988 20 0 DHADRM CC1(C)C[C@]1(CNC(=O)c1cccc(F)c1[O-])c1ccccc1 ZINC001131338649 1026314971 /nfs/dbraw/zinc/31/49/71/1026314971.db2.gz PRGKEJXOSPIHAI-IBGZPJMESA-N -1 0 313.372 3.629 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262111754 1026479026 /nfs/dbraw/zinc/47/90/26/1026479026.db2.gz MRQGQCLNEZZTFH-CHWSQXEVSA-N -1 0 321.442 3.935 20 0 DHADRM CCC[C@@H](C)c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000809358333 1026510799 /nfs/dbraw/zinc/51/07/99/1026510799.db2.gz BZJPHRFMOKNQEQ-LLVKDONJSA-N -1 0 310.357 3.594 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)cc1Cl ZINC000262949253 1026531330 /nfs/dbraw/zinc/53/13/30/1026531330.db2.gz LENWWDFSBREZFA-CQSZACIVSA-N -1 0 318.200 3.613 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263349831 1026547012 /nfs/dbraw/zinc/54/70/12/1026547012.db2.gz 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C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OC/C=C/Cl ZINC000812402530 1027262377 /nfs/dbraw/zinc/26/23/77/1027262377.db2.gz FUVQITJYWQYVEG-SBKJXLNCSA-N -1 0 311.809 3.552 20 0 DHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]OC/C=C/Cl)c1 ZINC000812403998 1027264093 /nfs/dbraw/zinc/26/40/93/1027264093.db2.gz YIQAKUODLZYFTN-OQHXTRMZSA-N -1 0 311.809 3.686 20 0 DHADRM Cn1nc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cc1C1CC1 ZINC000573296156 1027276393 /nfs/dbraw/zinc/27/63/93/1027276393.db2.gz VLVOEGWKQVENBK-UHFFFAOYSA-N -1 0 323.183 4.489 20 0 DHADRM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1c([O-])cccc1F ZINC000295514793 1027314177 /nfs/dbraw/zinc/31/41/77/1027314177.db2.gz WOUHKIXXCXHKTA-AEJSXWLSSA-N -1 0 319.298 3.723 20 0 DHADRM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1c(F)cc([O-])cc1F ZINC000812586275 1027334889 /nfs/dbraw/zinc/33/48/89/1027334889.db2.gz MBKUFKNXALGLJU-AAEUAGOBSA-N -1 0 304.292 3.631 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC(F)(F)C2)c1 ZINC000812706104 1027369192 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O=C([O-])c1ccc(Cl)c(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000576234000 1027588189 /nfs/dbraw/zinc/58/81/89/1027588189.db2.gz QKVNLZXERYEUOU-UHFFFAOYSA-N -1 0 319.710 3.733 20 0 DHADRM O=C([O-])CCCCc1ccc(-c2ccc(F)cc2CO)cc1 ZINC000576242435 1027590882 /nfs/dbraw/zinc/59/08/82/1027590882.db2.gz ZHCBPKLKLRCEAT-UHFFFAOYSA-N -1 0 302.345 3.782 20 0 DHADRM COc1c(F)nccc1-c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001245000348 1027600389 /nfs/dbraw/zinc/60/03/89/1027600389.db2.gz BGDCKWZFEZWJIK-UHFFFAOYSA-N -1 0 316.115 3.901 20 0 DHADRM CCCn1nc(C)c(-c2ccc(OCC(=O)[O-])c(Cl)c2)c1C ZINC000576359991 1027606925 /nfs/dbraw/zinc/60/69/25/1027606925.db2.gz IAQCNMOPNDYXFS-UHFFFAOYSA-N -1 0 322.792 3.694 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C(/C)C(C)(C)C ZINC000814019326 1027814959 /nfs/dbraw/zinc/81/49/59/1027814959.db2.gz XOAHQNXEMSIXAC-LLNWESEBSA-N -1 0 323.458 3.576 20 0 DHADRM CC(C)SCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000600873228 1027878082 /nfs/dbraw/zinc/87/80/82/1027878082.db2.gz DLGAHKHAZFVCAG-UHFFFAOYSA-N -1 0 303.383 3.618 20 0 DHADRM O=C(Nc1cccc(CSC2CCCCC2)c1)c1cn[nH]n1 ZINC000116837106 1027941672 /nfs/dbraw/zinc/94/16/72/1027941672.db2.gz SESOHFIIEFGKDU-UHFFFAOYSA-N -1 0 316.430 3.623 20 0 DHADRM C[C@H]1C[C@H]1c1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)o1 ZINC000577878418 1027972720 /nfs/dbraw/zinc/97/27/20/1027972720.db2.gz HZGWIPZIUXQDJW-XHDPSFHLSA-N -1 0 315.369 3.859 20 0 DHADRM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)o1 ZINC000577878415 1027973035 /nfs/dbraw/zinc/97/30/35/1027973035.db2.gz HZGWIPZIUXQDJW-ABAIWWIYSA-N -1 0 315.369 3.859 20 0 DHADRM C[C@@H](ONC(=O)C[C@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633519 1027987145 /nfs/dbraw/zinc/98/71/45/1027987145.db2.gz IDFUQGGEXBMWSZ-IUODEOHRSA-N -1 0 317.410 3.561 20 0 DHADRM Cc1ccccc1-c1nc(=NC[C@H]2CCOC(C)(C)C2)s[n-]1 ZINC000528032647 1028051082 /nfs/dbraw/zinc/05/10/82/1028051082.db2.gz FXXVQFSDRXVVEN-ZDUSSCGKSA-N -1 0 317.458 3.553 20 0 DHADRM c1ccc(-c2nc(=N[C@H](c3ccccn3)C3CCC3)s[n-]2)cc1 ZINC000528132554 1028135512 /nfs/dbraw/zinc/13/55/12/1028135512.db2.gz CPFYOKAYXLXTKW-INIZCTEOSA-N -1 0 322.437 3.975 20 0 DHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000563674852 1028165031 /nfs/dbraw/zinc/16/50/31/1028165031.db2.gz AVNAFXAJDDDMTQ-UHFFFAOYSA-N -1 0 314.457 3.581 20 0 DHADRM CC[C@H](N=c1[n-]c(C2CCOCC2)no1)c1cc(C)ccc1C ZINC000528221807 1028190743 /nfs/dbraw/zinc/19/07/43/1028190743.db2.gz IVLWNUSEYYNHIJ-INIZCTEOSA-N -1 0 315.417 3.566 20 0 DHADRM Cc1csc(C(=O)[O-])c1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000578644094 1028201157 /nfs/dbraw/zinc/20/11/57/1028201157.db2.gz MYLXNKNGNDANFS-AWEZNQCLSA-N -1 0 318.394 3.727 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000578947885 1028282705 /nfs/dbraw/zinc/28/27/05/1028282705.db2.gz RIEUUOGXUSQAEC-INIZCTEOSA-N -1 0 312.369 3.756 20 0 DHADRM O=C([O-])[C@@H](NCc1cnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000578979753 1028291008 /nfs/dbraw/zinc/29/10/08/1028291008.db2.gz VRNVGZWDTZSYBX-ZDUSSCGKSA-N -1 0 322.817 3.589 20 0 DHADRM CCN(C(=O)c1cccc(F)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000935502534 1028296504 /nfs/dbraw/zinc/29/65/04/1028296504.db2.gz ITVKXROIPGHPAX-NSHDSACASA-N -1 0 307.390 3.686 20 0 DHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)o2)c1 ZINC000579151129 1028332937 /nfs/dbraw/zinc/33/29/37/1028332937.db2.gz MYWUCXIJYKSBAV-NSHDSACASA-N -1 0 309.387 3.566 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCCCCC(=O)C1 ZINC000579424853 1028407114 /nfs/dbraw/zinc/40/71/14/1028407114.db2.gz BOIIEUFXUXPHOL-VIFPVBQESA-N -1 0 313.756 3.663 20 0 DHADRM CN(C(=O)c1cccc(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000936016823 1028447218 /nfs/dbraw/zinc/44/72/18/1028447218.db2.gz KHBJOLNVLKBACZ-AOOOYVTPSA-N -1 0 319.298 3.724 20 0 DHADRM O=C([N-][C@@H](c1cc2ccccc2o1)c1cccnc1)C(F)(F)F ZINC000369170829 1028456442 /nfs/dbraw/zinc/45/64/42/1028456442.db2.gz XAVHJECXZXWZDZ-CQSZACIVSA-N -1 0 320.270 3.596 20 0 DHADRM Cc1ccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000188401315 1028508986 /nfs/dbraw/zinc/50/89/86/1028508986.db2.gz 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1029164545 /nfs/dbraw/zinc/16/45/45/1029164545.db2.gz WRUVYPMCRWOGRD-UHFFFAOYSA-N -1 0 317.429 3.663 20 0 DHADRM CC(C)(CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000569047728 1029166978 /nfs/dbraw/zinc/16/69/78/1029166978.db2.gz SFEDEOWEILVLGX-INIZCTEOSA-N -1 0 315.413 3.556 20 0 DHADRM O=C([O-])C1CCC(Nc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000569200305 1029194336 /nfs/dbraw/zinc/19/43/36/1029194336.db2.gz ZPJOMPOVGLTDRL-UHFFFAOYSA-N -1 0 319.792 3.581 20 0 DHADRM O=C(NO[C@H]1CCCCO1)Nc1ccc(-c2ccccc2)cc1 ZINC000155436273 1029235830 /nfs/dbraw/zinc/23/58/30/1029235830.db2.gz KOMCXLLBUAENBI-KRWDZBQOSA-N -1 0 312.369 3.933 20 0 DHADRM CC1(C)C[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)C(C)(C)O1 ZINC000529384090 1029249439 /nfs/dbraw/zinc/24/94/39/1029249439.db2.gz OSGDJRKUAFUTRI-QMMMGPOBSA-N -1 0 315.772 3.717 20 0 DHADRM Cc1cc(C)c(CNC(=O)CC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000569697245 1029252296 /nfs/dbraw/zinc/25/22/96/1029252296.db2.gz YJDPPIMHFPZDLV-UHFFFAOYSA-N -1 0 317.429 3.509 20 0 DHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC1CCCCCC1 ZINC000570146326 1029322230 /nfs/dbraw/zinc/32/22/30/1029322230.db2.gz BLGMDQZHCRUQLF-CQSZACIVSA-N -1 0 318.417 3.567 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(-c2ccc(C)cc2)cs1 ZINC000570168430 1029325035 /nfs/dbraw/zinc/32/50/35/1029325035.db2.gz JFGGTWBGIKEDQX-ZDUSSCGKSA-N -1 0 318.442 3.804 20 0 DHADRM C[C@]1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CCCO1 ZINC000529539104 1029376847 /nfs/dbraw/zinc/37/68/47/1029376847.db2.gz PNXJAGWHXZBFTA-MRXNPFEDSA-N -1 0 305.761 3.706 20 0 DHADRM CCN(C(=O)c1s[n-]c(=O)c1Cl)c1cccc(Cl)c1 ZINC001136169758 1029440985 /nfs/dbraw/zinc/44/09/85/1029440985.db2.gz ZRBSOLZBJDNBMV-UHFFFAOYSA-N -1 0 317.197 3.822 20 0 DHADRM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])CC(F)(F)F ZINC000412671350 1029504086 /nfs/dbraw/zinc/50/40/86/1029504086.db2.gz HNJBJPXFZIEPEU-ZCFIWIBFSA-N -1 0 313.678 3.503 20 0 DHADRM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC001136204328 1029524664 /nfs/dbraw/zinc/52/46/64/1029524664.db2.gz 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ZINC000820879006 1029784010 /nfs/dbraw/zinc/78/40/10/1029784010.db2.gz NCZLIAWVDXWANY-AWEZNQCLSA-N -1 0 317.429 3.640 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1F ZINC000451104865 1029797818 /nfs/dbraw/zinc/79/78/18/1029797818.db2.gz SQNXPYRGJZQCTF-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM CC(C)c1nc(/C=C\c2ccc3oncc3c2)ncc1C(=O)[O-] ZINC000821040150 1029803383 /nfs/dbraw/zinc/80/33/83/1029803383.db2.gz WDOBBGDCLBFKMT-XQRVVYSFSA-N -1 0 309.325 3.610 20 0 DHADRM COCCC[C@@H](Cc1ccccc1)N=c1nc(C(C)C)[n-]s1 ZINC000530379024 1029830984 /nfs/dbraw/zinc/83/09/84/1029830984.db2.gz XPHZZASFFAALNO-HNNXBMFYSA-N -1 0 319.474 3.533 20 0 DHADRM CC(=O)CCCCCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000821750474 1029869365 /nfs/dbraw/zinc/86/93/65/1029869365.db2.gz WSZNAEMLAWDJPQ-UHFFFAOYSA-N -1 0 318.200 3.578 20 0 DHADRM O=C([O-])C1CCC(C(=O)N2CCCCCc3ccccc32)CC1 ZINC000262715420 1029935156 /nfs/dbraw/zinc/93/51/56/1029935156.db2.gz NGVKIKMPFIFZNO-UHFFFAOYSA-N -1 0 315.413 3.637 20 0 DHADRM O=C([N-]OCC(F)F)C1(c2cccc(Cl)c2)CCCCC1 ZINC000760143684 1029993188 /nfs/dbraw/zinc/99/31/88/1029993188.db2.gz HMIDBRVLWINGAJ-UHFFFAOYSA-N -1 0 317.763 3.855 20 0 DHADRM CCCN(Cc1ccccc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000357588332 1030117573 /nfs/dbraw/zinc/11/75/73/1030117573.db2.gz AHKPMPRHCCLWAT-UHFFFAOYSA-N -1 0 323.314 3.862 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533196041 1030180562 /nfs/dbraw/zinc/18/05/62/1030180562.db2.gz YVZUGAGKJMMDPW-CVEARBPZSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c(O)c1C ZINC000924770409 1030182593 /nfs/dbraw/zinc/18/25/93/1030182593.db2.gz PMBFPTZUJDUHKX-UHFFFAOYSA-N -1 0 307.781 3.692 20 0 DHADRM CC(C)(CN=c1nc(C(F)(F)F)[n-]s1)c1ccc(F)cc1 ZINC000557563895 1030192712 /nfs/dbraw/zinc/19/27/12/1030192712.db2.gz PQWJKAGMZHETIC-UHFFFAOYSA-N -1 0 319.327 3.508 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000291038395 1030302834 /nfs/dbraw/zinc/30/28/34/1030302834.db2.gz FWFLBHAZBQACLA-CQSZACIVSA-N -1 0 309.768 3.589 20 0 DHADRM CCOc1ccc(C(=O)[O-])cc1Nc1cccc(Cl)c1N ZINC001160271753 1030325400 /nfs/dbraw/zinc/32/54/00/1030325400.db2.gz ISBAJDUREXQRFC-UHFFFAOYSA-N -1 0 306.749 3.763 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291147255 1030364645 /nfs/dbraw/zinc/36/46/45/1030364645.db2.gz PQFUSQIJSOXYRL-CQSZACIVSA-N -1 0 314.410 3.521 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000236919505 1030383908 /nfs/dbraw/zinc/38/39/08/1030383908.db2.gz CZGKVEAQEINOJY-KGLIPLIRSA-N -1 0 319.401 3.613 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291213706 1030402997 /nfs/dbraw/zinc/40/29/97/1030402997.db2.gz VTLZAELGDPRCHD-CQSZACIVSA-N -1 0 309.768 3.589 20 0 DHADRM O=C([N-]OC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000867548313 1030462406 /nfs/dbraw/zinc/46/24/06/1030462406.db2.gz RAKCGQARXRZXRL-UHFFFAOYSA-N -1 0 316.184 3.557 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc(Cl)c([O-])c1)c1nccs1 ZINC001136872579 1030550339 /nfs/dbraw/zinc/55/03/39/1030550339.db2.gz UXUZFDVYMXFSNE-CQSZACIVSA-N -1 0 310.806 3.557 20 0 DHADRM CC(C)c1ccccc1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000824476211 1030561151 /nfs/dbraw/zinc/56/11/51/1030561151.db2.gz IBSBWOYGPCKPGA-UHFFFAOYSA-N -1 0 321.421 3.568 20 0 DHADRM Cc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc(C)c1O ZINC000079943506 1030564535 /nfs/dbraw/zinc/56/45/35/1030564535.db2.gz HHDGNPGGPISMKD-GGWOSOGESA-N -1 0 301.367 3.734 20 0 DHADRM COCc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000079943486 1030564810 /nfs/dbraw/zinc/56/48/10/1030564810.db2.gz RNTLZKUGMHAPIV-CDJQDVQCSA-N -1 0 301.367 3.558 20 0 DHADRM CCc1cccc(C(=O)N=[S@@](C)(=O)C2CCCCC2)c1[O-] ZINC000926019649 1030578686 /nfs/dbraw/zinc/57/86/86/1030578686.db2.gz QFXVBGAXLWVQHW-NRFANRHFSA-N -1 0 309.431 3.525 20 0 DHADRM Cc1cccc([C@H](C)CNC(=O)c2cc(Cl)ccc2O)c1 ZINC001136911687 1030596807 /nfs/dbraw/zinc/59/68/07/1030596807.db2.gz CWGWCPBKMZTXER-GFCCVEGCSA-N -1 0 303.789 3.888 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)c2cc(Cl)ccc2O)c1 ZINC001136911688 1030598435 /nfs/dbraw/zinc/59/84/35/1030598435.db2.gz CWGWCPBKMZTXER-LBPRGKRZSA-N -1 0 303.789 3.888 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000824863864 1030658740 /nfs/dbraw/zinc/65/87/40/1030658740.db2.gz WXSZBRMXSMUZIV-UHFFFAOYSA-N -1 0 318.320 3.531 20 0 DHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(F)c2[O-])[C@H](c2ccco2)C1 ZINC001136978815 1030703702 /nfs/dbraw/zinc/70/37/02/1030703702.db2.gz QBSPWCOXUDRGJH-HZMBPMFUSA-N -1 0 321.323 3.877 20 0 DHADRM CCC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000825027481 1030704926 /nfs/dbraw/zinc/70/49/26/1030704926.db2.gz YOORNNYIBMOBNL-GJZGRUSLSA-N -1 0 311.809 3.798 20 0 DHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1c(F)cccc1Cl ZINC000359008270 1030725492 /nfs/dbraw/zinc/72/54/92/1030725492.db2.gz WMJBOKZLVKXTMD-SECBINFHSA-N -1 0 315.772 3.547 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H]1CCCc2ccc(F)cc21)C(=O)[O-] ZINC000359080904 1030766944 /nfs/dbraw/zinc/76/69/44/1030766944.db2.gz SHSWDQCMNWVUSG-OAHLLOKOSA-N -1 0 321.392 3.600 20 0 DHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000237416595 1030901030 /nfs/dbraw/zinc/90/10/30/1030901030.db2.gz LXZTUPBUPYLEAT-CYBMUJFWSA-N -1 0 321.442 3.728 20 0 DHADRM CC(F)(F)C(=O)[N-][C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000844039498 1030938316 /nfs/dbraw/zinc/93/83/16/1030938316.db2.gz UHPVPOHKAFHPIA-JTQLQIEISA-N -1 0 324.224 3.682 20 0 DHADRM CC[C@@](C)(NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000844156166 1030992990 /nfs/dbraw/zinc/99/29/90/1030992990.db2.gz JUFYIWMEXUOJPU-JFIBYHEFSA-N -1 0 317.429 3.709 20 0 DHADRM C[C@@](O)(c1cccc(-c2cccc(C(=O)[O-])c2)c1)C(F)(F)F ZINC000844206033 1031004916 /nfs/dbraw/zinc/00/49/16/1031004916.db2.gz WEZWTHYJSUSANC-OAHLLOKOSA-N -1 0 310.271 3.822 20 0 DHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@]12C[C@H]1CCCC2 ZINC000870530802 1031025511 /nfs/dbraw/zinc/02/55/11/1031025511.db2.gz WOALJTSXCJHXMS-DRTKUVKGSA-N -1 0 313.319 3.508 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)s1 ZINC000262408362 1031113020 /nfs/dbraw/zinc/11/30/20/1031113020.db2.gz OZARWIKFAWHNJF-VIFPVBQESA-N -1 0 321.373 3.693 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262685429 1031132383 /nfs/dbraw/zinc/13/23/83/1031132383.db2.gz AFQWESOCCDTXMC-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)C2CCCC2)sc1C(=O)[O-] ZINC000262762308 1031141013 /nfs/dbraw/zinc/14/10/13/1031141013.db2.gz KNHBMFIOPXLPBS-JTQLQIEISA-N -1 0 324.446 3.543 20 0 DHADRM C[C@@H]1CCCN(C(=O)CC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000262898498 1031154915 /nfs/dbraw/zinc/15/49/15/1031154915.db2.gz ZRUISNYDGBOSEW-CYBMUJFWSA-N -1 0 301.386 3.562 20 0 DHADRM O=C([N-]OCCCC(F)(F)F)[C@H]1CCCc2sccc21 ZINC000871213564 1031162932 /nfs/dbraw/zinc/16/29/32/1031162932.db2.gz UPBCKPDIIGNION-JTQLQIEISA-N -1 0 307.337 3.558 20 0 DHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000263123857 1031170398 /nfs/dbraw/zinc/17/03/98/1031170398.db2.gz XGKZGUVTDBOFHT-KBXCAEBGSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263210522 1031172085 /nfs/dbraw/zinc/17/20/85/1031172085.db2.gz WOOKSHKJNIZQPW-CQSZACIVSA-N -1 0 309.793 3.543 20 0 DHADRM CN(CC(=O)[O-])Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000263392767 1031188253 /nfs/dbraw/zinc/18/82/53/1031188253.db2.gz FRYKHGAFLFFRQM-UHFFFAOYSA-N -1 0 301.386 3.761 20 0 DHADRM C[C@H](C(=O)[O-])N(C)c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000263457708 1031195152 /nfs/dbraw/zinc/19/51/52/1031195152.db2.gz BCGLRPCSEIZFMZ-SSDOTTSWSA-N -1 0 314.719 3.735 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1csc2cc(C)ccc12 ZINC000263483448 1031198133 /nfs/dbraw/zinc/19/81/33/1031198133.db2.gz BAONLVXXOTVIPB-LLVKDONJSA-N -1 0 305.399 3.535 20 0 DHADRM CCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000263514481 1031201170 /nfs/dbraw/zinc/20/11/70/1031201170.db2.gz DFXKMTFCTMLCMN-SFHVURJKSA-N -1 0 317.429 3.506 20 0 DHADRM CCC1(C(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)CCCCC1 ZINC000359945372 1031211422 /nfs/dbraw/zinc/21/14/22/1031211422.db2.gz RTDZXOIVXXSOID-UHFFFAOYSA-N -1 0 302.378 3.672 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)c1C ZINC000360100753 1031277558 /nfs/dbraw/zinc/27/75/58/1031277558.db2.gz ZDOJMMFJCAPIKJ-OAHLLOKOSA-N -1 0 317.429 3.906 20 0 DHADRM CC(C)Oc1ncccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000360169037 1031304658 /nfs/dbraw/zinc/30/46/58/1031304658.db2.gz CDDQWTRASOZSGK-UHFFFAOYSA-N -1 0 324.739 3.619 20 0 DHADRM CCOc1cccc(F)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000871874437 1031364939 /nfs/dbraw/zinc/36/49/39/1031364939.db2.gz OLOKMUOYFHKWFL-UHFFFAOYSA-N -1 0 317.360 3.521 20 0 DHADRM Cc1nc(C(C)C)oc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000293562019 1031519569 /nfs/dbraw/zinc/51/95/69/1031519569.db2.gz SHNOMXWYBUBCBY-UHFFFAOYSA-N -1 0 312.728 3.857 20 0 DHADRM COc1cc(NC(=O)c2ccc(C(C)C)s2)ccc1C(=O)[O-] ZINC000455851235 1031554134 /nfs/dbraw/zinc/55/41/34/1031554134.db2.gz CZSPJAGCAGCVOD-UHFFFAOYSA-N -1 0 319.382 3.831 20 0 DHADRM CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000537348251 1031581274 /nfs/dbraw/zinc/58/12/74/1031581274.db2.gz USDCUHWNVNYWAQ-UHFFFAOYSA-N -1 0 307.415 3.822 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000537402467 1031593081 /nfs/dbraw/zinc/59/30/81/1031593081.db2.gz FYISRLQPBRHKJE-PBHICJAKSA-N -1 0 317.429 3.638 20 0 DHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000872410971 1031603647 /nfs/dbraw/zinc/60/36/47/1031603647.db2.gz VDSNPCPRJVFAJC-UHFFFAOYSA-N -1 0 315.341 3.891 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000872966466 1031683400 /nfs/dbraw/zinc/68/34/00/1031683400.db2.gz PBKFTVIAVAHXMV-BMSUMIBZSA-N -1 0 321.442 3.787 20 0 DHADRM CC(C)OCc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000872989300 1031687415 /nfs/dbraw/zinc/68/74/15/1031687415.db2.gz FXDOPVHDTKDHDM-UHFFFAOYSA-N -1 0 317.385 3.505 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873001116 1031689745 /nfs/dbraw/zinc/68/97/45/1031689745.db2.gz FRMIGHUAKGGIGU-JGVFFNPUSA-N -1 0 320.147 3.572 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000872998068 1031690963 /nfs/dbraw/zinc/69/09/63/1031690963.db2.gz OJLHQKSKPHGMSH-UHFFFAOYSA-N -1 0 317.307 3.983 20 0 DHADRM Cc1scc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000399818067 1031720001 /nfs/dbraw/zinc/72/00/01/1031720001.db2.gz AWOSBTTZHILQRV-UHFFFAOYSA-N -1 0 303.383 3.932 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)s1 ZINC000455860462 1031753042 /nfs/dbraw/zinc/75/30/42/1031753042.db2.gz BJWQALDZVDZZBT-UHFFFAOYSA-N -1 0 319.382 3.831 20 0 DHADRM CSCC1(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000846116188 1031867007 /nfs/dbraw/zinc/86/70/07/1031867007.db2.gz VVKOGNZYNPKAJW-UHFFFAOYSA-N -1 0 313.806 3.510 20 0 DHADRM CCn1nc(C)c(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)c1C ZINC000361506107 1031961544 /nfs/dbraw/zinc/96/15/44/1031961544.db2.gz BRBOSAIRAJMZKD-HJWRWDBZSA-N -1 0 321.380 3.937 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000846704425 1032043512 /nfs/dbraw/zinc/04/35/12/1032043512.db2.gz FHUGVPLZTUHKGD-IKGGRYGDSA-N -1 0 317.429 3.925 20 0 DHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000539399989 1033344656 /nfs/dbraw/zinc/34/46/56/1033344656.db2.gz PFVXAHSFPBOBLT-UHFFFAOYSA-N -1 0 313.469 3.888 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000013402020 1033509401 /nfs/dbraw/zinc/50/94/01/1033509401.db2.gz MNJQDEYXQGJNQD-RMKNXTFCSA-N -1 0 309.365 3.962 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)CCCC2 ZINC000013432982 1033521302 /nfs/dbraw/zinc/52/13/02/1033521302.db2.gz NQVDKCLHINOXMS-UHFFFAOYSA-N -1 0 309.365 3.824 20 0 DHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000152883217 1033547021 /nfs/dbraw/zinc/54/70/21/1033547021.db2.gz ZMXXUUFAQLFMIW-AWEZNQCLSA-N -1 0 322.767 3.803 20 0 DHADRM Cc1nocc1[N-]c1cc(-c2cccc(Br)n2)no1 ZINC001212720479 1033687788 /nfs/dbraw/zinc/68/77/88/1033687788.db2.gz MJZYZSGAURHKHY-UHFFFAOYSA-N -1 0 321.134 3.539 20 0 DHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)CC)n2)c1 ZINC000553484323 1033710122 /nfs/dbraw/zinc/71/01/22/1033710122.db2.gz MHDCDUPHWKORBV-LBPRGKRZSA-N -1 0 321.446 3.526 20 0 DHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)CC)n2)c1 ZINC000553484322 1033711630 /nfs/dbraw/zinc/71/16/30/1033711630.db2.gz MHDCDUPHWKORBV-GFCCVEGCSA-N -1 0 321.446 3.526 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)C(=O)[N-]OC2CCCCC2)c1 ZINC000861811647 1033722100 /nfs/dbraw/zinc/72/21/00/1033722100.db2.gz TYSOMTKZSUFLBF-ZDUSSCGKSA-N -1 0 318.417 3.519 20 0 DHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CCCCC1 ZINC000667494788 1033761612 /nfs/dbraw/zinc/76/16/12/1033761612.db2.gz LLGLVZZIYWVHCN-UHFFFAOYSA-N -1 0 317.389 3.503 20 0 DHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccnc1C1CC1 ZINC001212739742 1033768540 /nfs/dbraw/zinc/76/85/40/1033768540.db2.gz MNLQICZIDHLANS-UHFFFAOYSA-N -1 0 324.789 3.603 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N(C1CC1)C1CCCC1 ZINC000826070843 1033816980 /nfs/dbraw/zinc/81/69/80/1033816980.db2.gz DZJKRGGUVOIKBV-UHFFFAOYSA-N -1 0 302.399 3.664 20 0 DHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000554005558 1033917333 /nfs/dbraw/zinc/91/73/33/1033917333.db2.gz HWONDPZIQWNJAM-JTQLQIEISA-N -1 0 323.751 3.899 20 0 DHADRM COc1ccc(Nc2ccc(C(C)C)cc2)c(S(=O)(=O)[O-])c1 ZINC001173896010 1033928708 /nfs/dbraw/zinc/92/87/08/1033928708.db2.gz VHMINXOGYLPPDU-UHFFFAOYSA-N -1 0 321.398 3.809 20 0 DHADRM COc1cc(OC)c(Nc2ccc([S-])c(OC)c2)c(OC)c1 ZINC001173912301 1033941953 /nfs/dbraw/zinc/94/19/53/1033941953.db2.gz UWIWVVOSCDDGJV-UHFFFAOYSA-N -1 0 321.398 3.753 20 0 DHADRM Cc1cccc(C)c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001173876436 1033960193 /nfs/dbraw/zinc/96/01/93/1033960193.db2.gz MQPJAJMFCQFTRK-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)o1 ZINC000554344852 1034103635 /nfs/dbraw/zinc/10/36/35/1034103635.db2.gz KJJNCRXPEDGYCK-LDYMZIIASA-N -1 0 323.751 3.831 20 0 DHADRM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1Cl ZINC001174153894 1034180107 /nfs/dbraw/zinc/18/01/07/1034180107.db2.gz VHIBNBDJGAYDFB-UHFFFAOYSA-N -1 0 315.760 3.984 20 0 DHADRM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc(F)c([O-])c(Cl)c1 ZINC000554496144 1034180788 /nfs/dbraw/zinc/18/07/88/1034180788.db2.gz JXNIZVROLMNBGA-AWEZNQCLSA-N -1 0 323.726 3.741 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000864114690 1034292714 /nfs/dbraw/zinc/29/27/14/1034292714.db2.gz BRIVPUSQGUGJIX-CHWSQXEVSA-N -1 0 319.401 3.793 20 0 DHADRM CC1(C)C[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)CCS1 ZINC000888807605 1034293638 /nfs/dbraw/zinc/29/36/38/1034293638.db2.gz ZXLZULOSWZGAPE-SNVBAGLBSA-N -1 0 322.455 3.521 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)CC(C1CCC1)C1CCC1 ZINC000864119339 1034295311 /nfs/dbraw/zinc/29/53/11/1034295311.db2.gz ANWZTUJFQKLQDH-UHFFFAOYSA-N -1 0 315.413 3.859 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000864134172 1034297363 /nfs/dbraw/zinc/29/73/63/1034297363.db2.gz PPQINQPWLXAWNI-RHSMWYFYSA-N -1 0 323.392 3.711 20 0 DHADRM CCc1ccc(F)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000864131985 1034297515 /nfs/dbraw/zinc/29/75/15/1034297515.db2.gz HFBJCBMSDIFQED-UHFFFAOYSA-N -1 0 309.381 3.543 20 0 DHADRM C/C(=C/C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])C(C)(C)C ZINC000864161596 1034299857 /nfs/dbraw/zinc/29/98/57/1034299857.db2.gz XGMAFRGVYCHSNA-YFHOEESVSA-N -1 0 300.358 3.797 20 0 DHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)CCCCC(=O)[O-] ZINC000864217387 1034302747 /nfs/dbraw/zinc/30/27/47/1034302747.db2.gz OTKKZZHTCXRJMJ-AWEZNQCLSA-N -1 0 321.392 3.565 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)C(C)(C)C ZINC000864228134 1034303625 /nfs/dbraw/zinc/30/36/25/1034303625.db2.gz AZQZCZVNXPNNFJ-VSKPTYQZSA-N -1 0 303.402 3.619 20 0 DHADRM Cc1scc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1C ZINC000864231921 1034304081 /nfs/dbraw/zinc/30/40/81/1034304081.db2.gz KCFAUSJSZQMBOE-OAHLLOKOSA-N -1 0 317.410 3.619 20 0 DHADRM Fc1ccc([C@@H]2CC[C@H](N=c3nc(C4CC4)[n-]s3)C2)cc1 ZINC000480575163 1034328088 /nfs/dbraw/zinc/32/80/88/1034328088.db2.gz FQLRHZCUORWADC-OCCSQVGLSA-N -1 0 303.406 3.725 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1sccc1CC)C(=O)[O-] ZINC000777371027 1034346451 /nfs/dbraw/zinc/34/64/51/1034346451.db2.gz CBTPGHJEUJUXHU-INIZCTEOSA-N -1 0 311.447 3.854 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000777372421 1034348718 /nfs/dbraw/zinc/34/87/18/1034348718.db2.gz SZFRMBPWCZWVQV-BLLLJJGKSA-N -1 0 311.447 3.782 20 0 DHADRM CCCCCC[C@](C)(NC(=O)/C=C/c1cccs1)C(=O)[O-] ZINC000777372632 1034348950 /nfs/dbraw/zinc/34/89/50/1034348950.db2.gz WBINPLCJANSDJU-SCOAYWHSSA-N -1 0 309.431 3.691 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cnc(Cl)c(F)c2)cc1 ZINC000864513150 1034369409 /nfs/dbraw/zinc/36/94/09/1034369409.db2.gz WCZAYWJWDSBOJD-UHFFFAOYSA-N -1 0 322.767 3.848 20 0 DHADRM CC(C)(C)OC(=O)N1CC=C(Nc2ccccc2[S-])CC1 ZINC001174442270 1034387269 /nfs/dbraw/zinc/38/72/69/1034387269.db2.gz YTAUCWDJONCZAW-UHFFFAOYSA-N -1 0 306.431 3.912 20 0 DHADRM [S-]c1ccc(Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC001174445917 1034388945 /nfs/dbraw/zinc/38/89/45/1034388945.db2.gz TVWCPZATKZQVCQ-UHFFFAOYSA-N -1 0 300.427 3.551 20 0 DHADRM O=c1cc(Nc2cc(F)ccc2C(F)(F)F)nc(Cl)[n-]1 ZINC001174485324 1034405519 /nfs/dbraw/zinc/40/55/19/1034405519.db2.gz OVEBHUHXMCCBEO-UHFFFAOYSA-N -1 0 307.634 3.737 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cccnc2Br)c1 ZINC001174494929 1034412238 /nfs/dbraw/zinc/41/22/38/1034412238.db2.gz JZTFYVHXKZVINP-VOTSOKGWSA-N -1 0 319.158 3.686 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(C(F)(F)F)nc2)c1 ZINC001174494930 1034412337 /nfs/dbraw/zinc/41/23/37/1034412337.db2.gz KBRBVHOKGZYNAR-QPJJXVBHSA-N -1 0 308.259 3.942 20 0 DHADRM COC(=O)c1ccc(C)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174496339 1034413006 /nfs/dbraw/zinc/41/30/06/1034413006.db2.gz KDDWPGDCKSDUOD-VQHVLOKHSA-N -1 0 311.337 3.623 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2-c2ccc(F)cc2)c1 ZINC001174495099 1034413215 /nfs/dbraw/zinc/41/32/15/1034413215.db2.gz LCOCTJFOWFXERN-RUDMXATFSA-N -1 0 323.327 3.853 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cccnc2N2CCCC2)c1 ZINC001174494955 1034413316 /nfs/dbraw/zinc/41/33/16/1034413316.db2.gz KZAUDUSBPCKIAC-CMDGGOBGSA-N -1 0 309.369 3.523 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(N3CCCC3)nc2)c1 ZINC001174495994 1034413427 /nfs/dbraw/zinc/41/34/27/1034413427.db2.gz ZQKOFZLZTDHBOB-RMKNXTFCSA-N -1 0 309.369 3.523 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2-c2cccc(F)c2)c1 ZINC001174495003 1034413505 /nfs/dbraw/zinc/41/35/05/1034413505.db2.gz HGKVXHYWMKOCCM-BQYQJAHWSA-N -1 0 323.327 3.853 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2c(Cl)cccc2CO)c1 ZINC001174496830 1034415251 /nfs/dbraw/zinc/41/52/51/1034415251.db2.gz WEHKFKHLYXPOFQ-BQYQJAHWSA-N -1 0 303.745 3.674 20 0 DHADRM COc1cc(C(C)=O)ccc1Nc1cccc(C=CC(=O)[O-])c1 ZINC001174496887 1034415843 /nfs/dbraw/zinc/41/58/43/1034415843.db2.gz YTJPTXXHUUJKQM-RMKNXTFCSA-N -1 0 311.337 3.739 20 0 DHADRM O=C([O-])c1coc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000183776697 1034420908 /nfs/dbraw/zinc/42/09/08/1034420908.db2.gz QKKJQLLYCKTQAQ-CYBMUJFWSA-N -1 0 319.744 3.609 20 0 DHADRM Cc1sccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001174461769 1034425179 /nfs/dbraw/zinc/42/51/79/1034425179.db2.gz LBDPXEIQJMXRDH-UHFFFAOYSA-N -1 0 303.792 3.700 20 0 DHADRM CC[C@H](CNC(=O)c1cc(O)ccc1Cl)c1ccccc1 ZINC000554941279 1034434686 /nfs/dbraw/zinc/43/46/86/1034434686.db2.gz PVGLCQFTSUDXEP-GFCCVEGCSA-N -1 0 303.789 3.969 20 0 DHADRM COc1cc(Nc2cccc(C=CC(=O)[O-])c2)ccc1C(C)=O ZINC001174500480 1034460022 /nfs/dbraw/zinc/46/00/22/1034460022.db2.gz SNDIHHCZSGJLLS-RMKNXTFCSA-N -1 0 311.337 3.739 20 0 DHADRM S=c1[n-]c2ccc(NC3=CCC4(CC3)OCCO4)cc2s1 ZINC001174638601 1034522113 /nfs/dbraw/zinc/52/21/13/1034522113.db2.gz BDHGNMLRUWCAFJ-UHFFFAOYSA-N -1 0 320.439 3.808 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccnc1C(F)(F)F ZINC001174673775 1034540326 /nfs/dbraw/zinc/54/03/26/1034540326.db2.gz NTMBIGCPPVMQGV-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)c(C)c(N)c(C)c1C ZINC001174675958 1034542362 /nfs/dbraw/zinc/54/23/62/1034542362.db2.gz ZLHIHYYGFSPOQR-UHFFFAOYSA-N -1 0 314.385 3.953 20 0 DHADRM COc1cccc2ncc(Nc3ccc(C(=O)[O-])cc3OC)cc21 ZINC001174674746 1034543472 /nfs/dbraw/zinc/54/34/72/1034543472.db2.gz JZUQMACAPLNULK-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2ncsc2c1 ZINC001174678020 1034545125 /nfs/dbraw/zinc/54/51/25/1034545125.db2.gz XADSABSVHBMKCV-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001174678181 1034545464 /nfs/dbraw/zinc/54/54/64/1034545464.db2.gz ZDTKKXWVPMCJMC-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2cnc3ccc(F)cc3c2)ccc1C(=O)[O-] ZINC001174683804 1034546978 /nfs/dbraw/zinc/54/69/78/1034546978.db2.gz FOUCKMPTLZVNCZ-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1SC ZINC001174685083 1034547038 /nfs/dbraw/zinc/54/70/38/1034547038.db2.gz 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ZINC001174808292 1034632630 /nfs/dbraw/zinc/63/26/30/1034632630.db2.gz PDKWXCLVXMOPIG-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])s2)ncc1C(F)(F)F ZINC001174807268 1034633432 /nfs/dbraw/zinc/63/34/32/1034633432.db2.gz JKZDTKJZRRNWPE-UHFFFAOYSA-N -1 0 318.276 3.612 20 0 DHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])s2)cc1C ZINC001174807161 1034633443 /nfs/dbraw/zinc/63/34/43/1034633443.db2.gz GOBGPZJEYJJCPU-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)c(C)c1 ZINC001174810473 1034635843 /nfs/dbraw/zinc/63/58/43/1034635843.db2.gz OWZNQOHAIAWIMI-UHFFFAOYSA-N -1 0 305.355 3.675 20 0 DHADRM O=c1cc(Nc2ccc(Oc3cccnc3)cc2)nc(Cl)[n-]1 ZINC001174850259 1034645388 /nfs/dbraw/zinc/64/53/88/1034645388.db2.gz WBAPTDFOHMYXRT-UHFFFAOYSA-N -1 0 314.732 3.767 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186814329 1034663760 /nfs/dbraw/zinc/66/37/60/1034663760.db2.gz BGVVJHREZNWDOO-BXUZGUMPSA-N -1 0 317.335 3.689 20 0 DHADRM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186856287 1034666933 /nfs/dbraw/zinc/66/69/33/1034666933.db2.gz FMSFUBRAZNRNRS-LBPRGKRZSA-N -1 0 323.261 3.521 20 0 DHADRM COc1cc(Nc2ccc(OC)c(OC)c2OC)ccc1[S-] ZINC001174903159 1034669145 /nfs/dbraw/zinc/66/91/45/1034669145.db2.gz ALOFNVAAVHKKBD-UHFFFAOYSA-N -1 0 321.398 3.753 20 0 DHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1c([O-])cccc1F ZINC000186935585 1034673384 /nfs/dbraw/zinc/67/33/84/1034673384.db2.gz ITZFDWPBKNMPDF-CQSZACIVSA-N -1 0 302.349 3.540 20 0 DHADRM CC(C)OC(=O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174914382 1034677890 /nfs/dbraw/zinc/67/78/90/1034677890.db2.gz ZMQHTUIEEZEMGH-UHFFFAOYSA-N -1 0 313.313 3.638 20 0 DHADRM O=C([O-])Cc1ccc(Nc2nc(C(F)(F)F)cs2)cc1 ZINC001174949806 1034703559 /nfs/dbraw/zinc/70/35/59/1034703559.db2.gz POESEBHJYWMMPC-UHFFFAOYSA-N -1 0 302.277 3.533 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC001174947263 1034703664 /nfs/dbraw/zinc/70/36/64/1034703664.db2.gz IDVCVTHQAXPAKP-UHFFFAOYSA-N -1 0 312.300 3.851 20 0 DHADRM O=C([O-])Cc1ccc(Nc2ncc(C(F)(F)F)cc2F)cc1 ZINC001174950213 1034703764 /nfs/dbraw/zinc/70/37/64/1034703764.db2.gz SDWOAXWWLPYHNC-UHFFFAOYSA-N -1 0 314.238 3.610 20 0 DHADRM Cc1nccn1Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174953612 1034704619 /nfs/dbraw/zinc/70/46/19/1034704619.db2.gz IDBHIZDFJOURKC-UHFFFAOYSA-N -1 0 321.380 3.611 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cnc3cc(F)c(F)cc3c2)cc1 ZINC001174951581 1034704733 /nfs/dbraw/zinc/70/47/33/1034704733.db2.gz IDLZBSNWFKOBGJ-UHFFFAOYSA-N -1 0 314.291 3.884 20 0 DHADRM CCOC(=O)Nc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174953476 1034704821 /nfs/dbraw/zinc/70/48/21/1034704821.db2.gz SLSXUJKTUDSSRE-UHFFFAOYSA-N -1 0 314.341 3.626 20 0 DHADRM CC1(C)CC(=O)Nc2cc(Nc3ccc(CC(=O)[O-])cc3)ccc21 ZINC001174953449 1034704946 /nfs/dbraw/zinc/70/49/46/1034704946.db2.gz RJUQCCNXKBSJQD-UHFFFAOYSA-N -1 0 324.380 3.677 20 0 DHADRM CC(C)OC(=O)c1cccc(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174953541 1034705583 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O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc(O)cc2)c1 ZINC001175051184 1034775751 /nfs/dbraw/zinc/77/57/51/1034775751.db2.gz NWTLVYNWCCMYSF-UHFFFAOYSA-N -1 0 315.350 3.536 20 0 DHADRM O=c1cc(Nc2ccc(F)cc2C(F)(F)F)nc(Cl)[n-]1 ZINC001175100931 1034782040 /nfs/dbraw/zinc/78/20/40/1034782040.db2.gz IKJAVKYBGHTBHG-UHFFFAOYSA-N -1 0 307.634 3.737 20 0 DHADRM Fc1c([N-]c2nnco2)ccc(OCc2ccccc2)c1F ZINC001175084521 1034804213 /nfs/dbraw/zinc/80/42/13/1034804213.db2.gz NSVRKYZIHPAIIW-UHFFFAOYSA-N -1 0 303.268 3.670 20 0 DHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC001175156627 1034816999 /nfs/dbraw/zinc/81/69/99/1034816999.db2.gz HKZHRMGLEMQLRG-UHFFFAOYSA-N -1 0 317.316 3.753 20 0 DHADRM CN1CCCc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175156915 1034817595 /nfs/dbraw/zinc/81/75/95/1034817595.db2.gz AGCLGXXXXBLWDY-UHFFFAOYSA-N -1 0 300.333 3.650 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnc(Cl)c2Cl)cc1F ZINC001175154555 1034818477 /nfs/dbraw/zinc/81/84/77/1034818477.db2.gz PWOLYPGMBIRHEY-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM CO[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(F)c3)cccc21 ZINC001175160941 1034821154 /nfs/dbraw/zinc/82/11/54/1034821154.db2.gz OSRZLVGJFYXBKQ-HNNXBMFYSA-N -1 0 317.316 3.738 20 0 DHADRM Nc1cccc(C(F)(F)F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175159607 1034821799 /nfs/dbraw/zinc/82/17/99/1034821799.db2.gz AAHHATGMRPBNMM-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(F)c3cnccc23)cc1F ZINC001175159621 1034821684 /nfs/dbraw/zinc/82/16/84/1034821684.db2.gz AUDLJYCKUSCKHS-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM Cc1ccc(C)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175163555 1034852297 /nfs/dbraw/zinc/85/22/97/1034852297.db2.gz QDOOUFZGOSJJQM-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM COc1cccc(C2(C(=O)[N-]Oc3ccccc3)CCCC2)c1 ZINC000773470389 1034863937 /nfs/dbraw/zinc/86/39/37/1034863937.db2.gz AFKNGJQDVSLZLP-UHFFFAOYSA-N -1 0 311.381 3.617 20 0 DHADRM O=C([O-])c1cc(Nc2cc(Cl)cc(Cl)n2)ccc1F ZINC001175215652 1034870937 /nfs/dbraw/zinc/87/09/37/1034870937.db2.gz 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CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525308 1037169437 /nfs/dbraw/zinc/16/94/37/1037169437.db2.gz WQEWNTXLGCCEPF-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM Cc1cc(S(=O)(=O)Nc2ccc([S-])cc2)ccc1Cl ZINC001185524155 1037171356 /nfs/dbraw/zinc/17/13/56/1037171356.db2.gz BXNPHNJDXUNPKB-UHFFFAOYSA-N -1 0 313.831 3.738 20 0 DHADRM CCn1c(C)cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c1C ZINC000911680709 1037176184 /nfs/dbraw/zinc/17/61/84/1037176184.db2.gz FHELFNLXJOGOSA-UHFFFAOYSA-N -1 0 318.348 3.523 20 0 DHADRM Cc1cc(F)c(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC000911686766 1037180816 /nfs/dbraw/zinc/18/08/16/1037180816.db2.gz BDNNPBNGIWAGOY-LLVKDONJSA-N -1 0 305.349 3.741 20 0 DHADRM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2[S-])cc1 ZINC001185542560 1037186439 /nfs/dbraw/zinc/18/64/39/1037186439.db2.gz DIYVJJDYISJWLH-UHFFFAOYSA-N -1 0 322.817 3.959 20 0 DHADRM CC(C)Oc1c(NC(=O)CC(C)(C)C2CC2)cccc1C(=O)[O-] ZINC000911737427 1037188771 /nfs/dbraw/zinc/18/87/71/1037188771.db2.gz 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ZINC000055551964 1037439932 /nfs/dbraw/zinc/43/99/32/1037439932.db2.gz RSUJXEFMLYNEOQ-UHFFFAOYSA-N -1 0 312.756 3.742 20 0 DHADRM CSc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000055528610 1037444675 /nfs/dbraw/zinc/44/46/75/1037444675.db2.gz CQRMCVOUVGDKTB-UHFFFAOYSA-N -1 0 310.378 3.502 20 0 DHADRM Cn1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cc2ccccc21 ZINC001186771164 1037491917 /nfs/dbraw/zinc/49/19/17/1037491917.db2.gz TUWWFJHMBFRFGL-UHFFFAOYSA-N -1 0 320.270 3.554 20 0 DHADRM Cc1cc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2[nH]1 ZINC001186787378 1037494358 /nfs/dbraw/zinc/49/43/58/1037494358.db2.gz GALVXIKRNPNMBO-UHFFFAOYSA-N -1 0 320.270 3.852 20 0 DHADRM Cc1cc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1C ZINC001186780780 1037494827 /nfs/dbraw/zinc/49/48/27/1037494827.db2.gz YOFWOGWVMYNUMT-UHFFFAOYSA-N -1 0 309.287 3.987 20 0 DHADRM CC(C)Oc1cc(-n2[n-]c(=O)c3cc(N)ccc32)ccc1Cl ZINC001201383805 1037646817 /nfs/dbraw/zinc/64/68/17/1037646817.db2.gz ZHCRJRTWGDDTKC-UHFFFAOYSA-N -1 0 317.776 3.754 20 0 DHADRM COc1nc(C(C)C)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001201441454 1037695712 /nfs/dbraw/zinc/69/57/12/1037695712.db2.gz KYGKKAZELGAWNX-UHFFFAOYSA-N -1 0 324.384 3.849 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000323792763 1037750672 /nfs/dbraw/zinc/75/06/72/1037750672.db2.gz DNIUDRXRTYTXHR-UHFFFAOYSA-N -1 0 317.385 3.678 20 0 DHADRM COc1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1O ZINC001187925898 1037755330 /nfs/dbraw/zinc/75/53/30/1037755330.db2.gz SKERAYIYYLCAIV-UHFFFAOYSA-N -1 0 310.712 3.837 20 0 DHADRM Cc1cc(C)nc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001188142062 1037826067 /nfs/dbraw/zinc/82/60/67/1037826067.db2.gz KKQBORHHICFHPQ-UHFFFAOYSA-N -1 0 311.168 3.963 20 0 DHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(F)cc1[O-] ZINC000123722875 1037859883 /nfs/dbraw/zinc/85/98/83/1037859883.db2.gz JCJFNSCEIPGSLU-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM O=S(=O)([N-]c1ccco1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188432159 1037894729 /nfs/dbraw/zinc/89/47/29/1037894729.db2.gz YGTQMJGNESFBFS-UHFFFAOYSA-N -1 0 317.341 3.887 20 0 DHADRM O=C(c1ncccc1[O-])N1CCc2c1cccc2-c1ccccc1 ZINC000186453428 1037904413 /nfs/dbraw/zinc/90/44/13/1037904413.db2.gz SINIYGVMBFTJOR-UHFFFAOYSA-N -1 0 316.360 3.657 20 0 DHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188561798 1037920234 /nfs/dbraw/zinc/92/02/34/1037920234.db2.gz CJTBFXXEDNTKEP-NXEZZACHSA-N -1 0 301.308 3.814 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)c1 ZINC000125262783 1037929081 /nfs/dbraw/zinc/92/90/81/1037929081.db2.gz YFASZPYDEJZBPE-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188590034 1037940416 /nfs/dbraw/zinc/94/04/16/1037940416.db2.gz ZMLXHGDHTNXJGQ-CMPLNLGQSA-N -1 0 315.335 3.967 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])cccc2F)C1 ZINC000125499534 1037942618 /nfs/dbraw/zinc/94/26/18/1037942618.db2.gz XGRGHQXSNYHAKW-ZIAGYGMSSA-N -1 0 313.372 3.858 20 0 DHADRM O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1ccncc1[O-] ZINC001188622289 1037951048 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ZINC000588160276 1038240286 /nfs/dbraw/zinc/24/02/86/1038240286.db2.gz XZCXTQAHQQVRPZ-UHFFFAOYSA-N -1 0 323.396 3.696 20 0 DHADRM CC(C)N(C(=O)c1cc(Br)ccc1[S-])C(C)C ZINC001189951135 1038240448 /nfs/dbraw/zinc/24/04/48/1038240448.db2.gz KUOBEWNQOWVGJI-UHFFFAOYSA-N -1 0 316.264 3.997 20 0 DHADRM O=C([O-])c1ccc(Nc2cncc(N3CCCCC3)c2)c(F)c1 ZINC001203287470 1038305523 /nfs/dbraw/zinc/30/55/23/1038305523.db2.gz AGHOCJHUGOPDDB-UHFFFAOYSA-N -1 0 315.348 3.653 20 0 DHADRM C=Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190392104 1038306249 /nfs/dbraw/zinc/30/62/49/1038306249.db2.gz LUXSCNUSDNEPMQ-UHFFFAOYSA-N -1 0 313.300 3.548 20 0 DHADRM O=S(=O)([N-]c1ccc(C(F)F)cn1)c1ccc(C2CC2)cc1 ZINC001190480445 1038317566 /nfs/dbraw/zinc/31/75/66/1038317566.db2.gz KQPIXIHJKNTZKO-UHFFFAOYSA-N -1 0 324.352 3.697 20 0 DHADRM C/C=C\COc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)cc1 ZINC000572016437 1038318945 /nfs/dbraw/zinc/31/89/45/1038318945.db2.gz VURQHAPHRAIEOU-IHWYPQMZSA-N -1 0 312.369 3.540 20 0 DHADRM 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321.380 3.799 20 0 DHADRM CCC1CCC(N(C(=O)C2CCC(C(=O)[O-])CC2)C2CC2)CC1 ZINC000194396808 335070072 /nfs/dbraw/zinc/07/00/72/335070072.db2.gz KFWVLGOXAGPDLX-UHFFFAOYSA-N -1 0 321.461 3.837 20 0 DHADRM O=C([O-])C1CCC(C(=O)N(CC2CCC2)c2ccccc2)CC1 ZINC000194424545 335071182 /nfs/dbraw/zinc/07/11/82/335071182.db2.gz AYKUFJXOCOUOHM-UHFFFAOYSA-N -1 0 315.413 3.711 20 0 DHADRM O=C([O-])COc1ccc(NC(=O)CCCC2CCCCC2)cc1 ZINC000320533506 335077408 /nfs/dbraw/zinc/07/74/08/335077408.db2.gz CKHUFKQQJJPXMP-UHFFFAOYSA-N -1 0 319.401 3.839 20 0 DHADRM CCC[C@H](C)c1cc(NC(=O)c2c([O-])cc(F)cc2F)n[nH]1 ZINC000608441544 430562245 /nfs/dbraw/zinc/56/22/45/430562245.db2.gz PTPCIUALWMUPDD-QMMMGPOBSA-N -1 0 309.316 3.549 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000570529642 332769232 /nfs/dbraw/zinc/76/92/32/332769232.db2.gz SELCUAYMVGFWSY-GUYCJALGSA-N -1 0 315.413 3.556 20 0 DHADRM C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000570579985 332776466 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O=C([O-])[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000426800623 332155106 /nfs/dbraw/zinc/15/51/06/332155106.db2.gz OIGOBPCDOKDTJZ-GOSISDBHSA-N -1 0 307.349 3.862 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2csc(C(C)(C)C)n2)o1 ZINC000426806551 332155709 /nfs/dbraw/zinc/15/57/09/332155709.db2.gz CFVFYRDYXWWMTN-LBPRGKRZSA-N -1 0 322.430 3.648 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000584294502 332222296 /nfs/dbraw/zinc/22/22/96/332222296.db2.gz WXIGRDDXJQREII-PRLABOORSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cccc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)c1C ZINC000584302385 332230815 /nfs/dbraw/zinc/23/08/15/332230815.db2.gz BYWUEMXYHKGLRD-SFHVURJKSA-N -1 0 323.392 3.546 20 0 DHADRM Cc1cc(NC(=O)[C@@]2(C)CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000536415101 332240822 /nfs/dbraw/zinc/24/08/22/332240822.db2.gz VNGMGZPWNRZRMH-FQEVSTJZSA-N -1 0 323.392 3.827 20 0 DHADRM Cc1cc(C)c(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1C ZINC000564953310 332276821 /nfs/dbraw/zinc/27/68/21/332276821.db2.gz 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ZINC000263042949 337623565 /nfs/dbraw/zinc/62/35/65/337623565.db2.gz ROZIPICHRZNPKU-OIISXLGYSA-N -1 0 323.477 3.942 20 0 DHADRM CCc1cccc(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263047058 337623589 /nfs/dbraw/zinc/62/35/89/337623589.db2.gz DOEQTCABZFXFKF-ZDUSSCGKSA-N -1 0 311.381 3.618 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCC(C)(C)c1ccccc1 ZINC000263098642 337624408 /nfs/dbraw/zinc/62/44/08/337624408.db2.gz VWFJRRIFPLSBSS-IBGZPJMESA-N -1 0 319.445 3.750 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)CCCc1ccccc1 ZINC000263159472 337624956 /nfs/dbraw/zinc/62/49/56/337624956.db2.gz ZPTNQSUJTONPNL-BEFAXECRSA-N -1 0 319.445 3.651 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263176828 337625128 /nfs/dbraw/zinc/62/51/28/337625128.db2.gz GPZQMKBIYBZECV-GFCCVEGCSA-N -1 0 309.431 3.593 20 0 DHADRM CC(C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263181799 337625130 /nfs/dbraw/zinc/62/51/30/337625130.db2.gz XAECNPXQCPNJHB-DYVFJYSZSA-N -1 0 313.397 3.764 20 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/nfs/dbraw/zinc/62/56/69/337625669.db2.gz ZHKNAYKAQMYTQX-UHFFFAOYSA-N -1 0 315.369 3.500 20 0 DHADRM CCC[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000263239218 337625675 /nfs/dbraw/zinc/62/56/75/337625675.db2.gz TTZMCDGWHOGTPV-JCYILVPMSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000263240978 337625844 /nfs/dbraw/zinc/62/58/44/337625844.db2.gz FAIIJTXJLDLOJZ-UHFFFAOYSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N(C)C(C)(C)C(=O)[O-])cc1 ZINC000263279180 337626146 /nfs/dbraw/zinc/62/61/46/337626146.db2.gz RMKCBUNRLRRNTC-VOTSOKGWSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263340782 337626580 /nfs/dbraw/zinc/62/65/80/337626580.db2.gz RWVAZFXYFQLKOI-LRDDRELGSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263343313 337626599 /nfs/dbraw/zinc/62/65/99/337626599.db2.gz SOFPDPZQEAEQRW-KGLIPLIRSA-N -1 0 321.417 3.655 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263343312 337626683 /nfs/dbraw/zinc/62/66/83/337626683.db2.gz SOFPDPZQEAEQRW-KBPBESRZSA-N -1 0 321.417 3.655 20 0 DHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CCC(F)(F)F ZINC000263387776 337627405 /nfs/dbraw/zinc/62/74/05/337627405.db2.gz FFTYRBFLCGATCH-LBPRGKRZSA-N -1 0 323.355 3.649 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(c2nc(-c3ccccc3Cl)cs2)C1 ZINC000263402696 337627825 /nfs/dbraw/zinc/62/78/25/337627825.db2.gz JLRTXGBKZSVKFS-OAHLLOKOSA-N -1 0 322.817 3.765 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263423994 337628678 /nfs/dbraw/zinc/62/86/78/337628678.db2.gz QNRLTWOLVMFKCA-UHFFFAOYSA-N -1 0 306.406 3.602 20 0 DHADRM O=C([O-])[C@H]1CCCN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263443293 337629273 /nfs/dbraw/zinc/62/92/73/337629273.db2.gz XTDHAXYUWWWTHV-NSHDSACASA-N -1 0 324.302 3.555 20 0 DHADRM Cc1ccc(NC(=O)C(C)C)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263487014 337630357 /nfs/dbraw/zinc/63/03/57/337630357.db2.gz 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337677200 /nfs/dbraw/zinc/67/72/00/337677200.db2.gz YCRJRKXJCIPXHK-NWDGAFQWSA-N -1 0 321.785 3.842 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191355011 337678254 /nfs/dbraw/zinc/67/82/54/337678254.db2.gz JCINEATVWAHRCF-GFCCVEGCSA-N -1 0 311.403 3.513 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1)C(=O)[O-] ZINC000191401615 337678973 /nfs/dbraw/zinc/67/89/73/337678973.db2.gz XONHDRUAUXNSDT-GFCCVEGCSA-N -1 0 322.364 3.683 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)s1 ZINC000422579276 337682978 /nfs/dbraw/zinc/68/29/78/337682978.db2.gz YEVLELKIDNJRII-UHFFFAOYSA-N -1 0 321.373 3.890 20 0 DHADRM c1ccc(-c2nc(=N[C@@H](c3ccccn3)C3CCC3)s[n-]2)cc1 ZINC000528132564 337789092 /nfs/dbraw/zinc/78/90/92/337789092.db2.gz CPFYOKAYXLXTKW-MRXNPFEDSA-N -1 0 322.437 3.975 20 0 DHADRM C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc2ccccc2c1 ZINC000424228327 337811623 /nfs/dbraw/zinc/81/16/23/337811623.db2.gz HWTUOLMQHSRQBZ-ZDUSSCGKSA-N -1 0 313.397 3.560 20 0 DHADRM C[C@@H]1CCCN(Cc2cc(Cl)sc2Cl)[C@@H]1C(=O)[O-] ZINC000424415980 337830792 /nfs/dbraw/zinc/83/07/92/337830792.db2.gz UGVGEKSZMSAJHJ-XCBNKYQSSA-N -1 0 308.230 3.740 20 0 DHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1c([O-])cccc1F ZINC000119588197 337862166 /nfs/dbraw/zinc/86/21/66/337862166.db2.gz UQCQMMFLXUAQMK-UHFFFAOYSA-N -1 0 314.360 3.692 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000537338943 337931348 /nfs/dbraw/zinc/93/13/48/337931348.db2.gz PKTXTPDGQBRCCN-VHSXEESVSA-N -1 0 321.833 3.655 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000537368872 337932875 /nfs/dbraw/zinc/93/28/75/337932875.db2.gz NWGILXNXOBUDKX-NSHDSACASA-N -1 0 323.458 3.636 20 0 DHADRM CCCc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)sc1C ZINC000315566774 337990057 /nfs/dbraw/zinc/99/00/57/337990057.db2.gz KWGCOOXLXCVGRV-UHFFFAOYSA-N -1 0 317.410 3.740 20 0 DHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000515627721 337994015 /nfs/dbraw/zinc/99/40/15/337994015.db2.gz PUUSCTYIGLCZNO-UHFFFAOYSA-N -1 0 323.389 3.724 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1cccc2ccccc21 ZINC000516001658 338002241 /nfs/dbraw/zinc/00/22/41/338002241.db2.gz GNNQXYQFCNSSPZ-IERDGZPVSA-N -1 0 304.411 3.588 20 0 DHADRM Cc1cc(C([O-])=C[S@@](=O)CC2(C)CCCCC2)c(C)n1C ZINC000516014762 338002461 /nfs/dbraw/zinc/00/24/61/338002461.db2.gz DEDAHYCKBLUENF-OAQYLSRUSA-N -1 0 309.475 3.544 20 0 DHADRM O=C([O-])[C@H]1CCCCN1Cc1nc(C2CCCCC2)cs1 ZINC000516187935 338006198 /nfs/dbraw/zinc/00/61/98/338006198.db2.gz NRJMSNAEVDRCDF-CQSZACIVSA-N -1 0 308.447 3.630 20 0 DHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000516296504 338009978 /nfs/dbraw/zinc/00/99/78/338009978.db2.gz GSMCLWFWUIAIHP-BDVYOWHSSA-N -1 0 315.413 3.631 20 0 DHADRM CC1(C)COc2ccc(C(=O)N3CCCc4cccc(O)c43)cc21 ZINC000516525963 338014559 /nfs/dbraw/zinc/01/45/59/338014559.db2.gz DIQQBZIDZPZBOL-UHFFFAOYSA-N -1 0 323.392 3.655 20 0 DHADRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000425939473 338019086 /nfs/dbraw/zinc/01/90/86/338019086.db2.gz CMPSOJCFPZETSW-UHFFFAOYSA-N -1 0 323.439 3.778 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2ccccc2o1)c1c(F)cccc1F ZINC000426738921 338040043 /nfs/dbraw/zinc/04/00/43/338040043.db2.gz ZTYYDKGLSBILRZ-INIZCTEOSA-N -1 0 317.291 3.627 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431457598 338131132 /nfs/dbraw/zinc/13/11/32/338131132.db2.gz OFCIRXFEIMMSEJ-GTNSWQLSSA-N -1 0 324.380 3.550 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn4ccccc34)sc2c1 ZINC000431559961 338133742 /nfs/dbraw/zinc/13/37/42/338133742.db2.gz XOTVPPYFJBGGQI-ALCCZGGFSA-N -1 0 321.361 3.813 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC000431565871 338133798 /nfs/dbraw/zinc/13/37/98/338133798.db2.gz OTROSLDYZJTNNV-UHFFFAOYSA-N -1 0 312.348 3.647 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000431677790 338136105 /nfs/dbraw/zinc/13/61/05/338136105.db2.gz XCFKYXOJXGSSDY-UHFFFAOYSA-N -1 0 311.381 3.800 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)CCCc1ccccc1 ZINC000431785757 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CC[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C)c2O)CCO1 ZINC000542909508 341026091 /nfs/dbraw/zinc/02/60/91/341026091.db2.gz VHSGAJOXCGYJBZ-AAEUAGOBSA-N -1 0 311.809 3.888 20 0 DHADRM O=C([O-])c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)c(Cl)c1 ZINC000543125737 341033124 /nfs/dbraw/zinc/03/31/24/341033124.db2.gz AJYLYCAKUBOWND-UHFFFAOYSA-N -1 0 308.671 3.860 20 0 DHADRM Cc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)c(C(=O)[O-])c1 ZINC000543447011 341045148 /nfs/dbraw/zinc/04/51/48/341045148.db2.gz PCLMGVNFCGUUDL-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM Cc1nc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2o1 ZINC000074294781 341142669 /nfs/dbraw/zinc/14/26/69/341142669.db2.gz UCNTUKOZCVVSOX-UHFFFAOYSA-N -1 0 302.717 3.748 20 0 DHADRM CC(C)C1CCC(NC(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000236585019 341187863 /nfs/dbraw/zinc/18/78/63/341187863.db2.gz UBZCUHVHRCTDKJ-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000236663290 341193095 /nfs/dbraw/zinc/19/30/95/341193095.db2.gz 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O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000238210052 341228016 /nfs/dbraw/zinc/22/80/16/341228016.db2.gz DHOXAEGWTWVBQW-CRAIPNDOSA-N -1 0 323.392 3.526 20 0 DHADRM CC1(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CCCCC1 ZINC000547745841 341230103 /nfs/dbraw/zinc/23/01/03/341230103.db2.gz UAGJYAVOBZXKAB-UHFFFAOYSA-N -1 0 307.444 3.597 20 0 DHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000078003854 341233592 /nfs/dbraw/zinc/23/35/92/341233592.db2.gz UPVICBKNRHQATA-VIFPVBQESA-N -1 0 309.818 3.777 20 0 DHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000135394851 341238510 /nfs/dbraw/zinc/23/85/10/341238510.db2.gz UAIXAEQNUXIWTL-UHFFFAOYSA-N -1 0 323.439 3.758 20 0 DHADRM C[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H]1C(=O)[O-] ZINC000547916177 341239153 /nfs/dbraw/zinc/23/91/53/341239153.db2.gz QVEMZJDEXHACEF-WMLDXEAASA-N -1 0 324.380 3.740 20 0 DHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548150035 341249467 /nfs/dbraw/zinc/24/94/67/341249467.db2.gz 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O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000261926772 341509449 /nfs/dbraw/zinc/50/94/49/341509449.db2.gz SHUKVEHDQVHDLB-BZUAXINKSA-N -1 0 315.413 3.859 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000261929831 341509528 /nfs/dbraw/zinc/50/95/28/341509528.db2.gz SPLQKLOZDFVNEY-IJEWVQPXSA-N -1 0 315.413 3.859 20 0 DHADRM Cc1c(C(=O)[O-])csc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000565235882 341520863 /nfs/dbraw/zinc/52/08/63/341520863.db2.gz JBRLDSUXWBAGFY-CYBMUJFWSA-N -1 0 318.394 3.898 20 0 DHADRM CCCC[C@H](Sc1cc(C)nc(-c2ccccn2)n1)C(=O)[O-] ZINC000565234510 341520904 /nfs/dbraw/zinc/52/09/04/341520904.db2.gz VAYAVDBYFKVKIF-ZDUSSCGKSA-N -1 0 317.414 3.583 20 0 DHADRM CCCCC1CCC(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC000262454559 341522472 /nfs/dbraw/zinc/52/24/72/341522472.db2.gz IBJHYUCESXLUBN-MCIGGMRASA-N -1 0 323.355 3.505 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000263358197 341538979 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C[C@H](CCC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000569021994 341688546 /nfs/dbraw/zinc/68/85/46/341688546.db2.gz QEUNXHJWSFJBRR-WBMJQRKESA-N -1 0 317.410 3.574 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000569140139 341692075 /nfs/dbraw/zinc/69/20/75/341692075.db2.gz DBESFWIIUVQKBS-CQSZACIVSA-N -1 0 317.410 3.601 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000573107092 341717338 /nfs/dbraw/zinc/71/73/38/341717338.db2.gz QQVAPGYKKWEYJC-AWEZNQCLSA-N -1 0 323.392 3.744 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000574008926 341745888 /nfs/dbraw/zinc/74/58/88/341745888.db2.gz PDURKHGOLRUMFV-ZHJQRIIBSA-N -1 0 321.376 3.703 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000574464277 341759494 /nfs/dbraw/zinc/75/94/94/341759494.db2.gz DYHHRFXTKZTGHJ-VXGBXAGGSA-N -1 0 323.820 3.893 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000172110770 341793369 /nfs/dbraw/zinc/79/33/69/341793369.db2.gz 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/nfs/dbraw/zinc/82/43/26/599824326.db2.gz GSSVVXCGSQQOHU-CYBMUJFWSA-N -1 0 324.446 3.808 20 0 DHADRM C[C@H](OC(=O)c1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC000736697618 599827435 /nfs/dbraw/zinc/82/74/35/599827435.db2.gz MVQYDQILGZPCIE-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM C[C@@H](CC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000736544394 599836648 /nfs/dbraw/zinc/83/66/48/599836648.db2.gz GBYGRAGVPKAMEU-LBPRGKRZSA-N -1 0 315.344 3.681 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(C(F)F)cc1 ZINC000739485048 599842754 /nfs/dbraw/zinc/84/27/54/599842754.db2.gz IWRXPZJFGYBQCT-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(F)cc1 ZINC000736549002 599843447 /nfs/dbraw/zinc/84/34/47/599843447.db2.gz QOCIEJILUVGCRV-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM CC(C)(C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019306 599871097 /nfs/dbraw/zinc/87/10/97/599871097.db2.gz VGHQJHINDMYMAZ-UHFFFAOYSA-N -1 0 305.399 3.652 20 0 DHADRM C[C@H](CN(C)C(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000237542951 599872111 /nfs/dbraw/zinc/87/21/11/599872111.db2.gz AATVAMCDLCTJEB-HPUBIQBYSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2cc(Cl)sc2Cl)c1 ZINC000740271767 599880835 /nfs/dbraw/zinc/88/08/35/599880835.db2.gz RFAWUWBPVJZNTI-UHFFFAOYSA-N -1 0 321.137 3.703 20 0 DHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl ZINC000738673391 599886856 /nfs/dbraw/zinc/88/68/56/599886856.db2.gz XFRQIBXGXJFWRE-CQSZACIVSA-N -1 0 322.792 3.835 20 0 DHADRM CCCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737021157 599895035 /nfs/dbraw/zinc/89/50/35/599895035.db2.gz PUFHBUDKOWEZKQ-UHFFFAOYSA-N -1 0 312.369 3.829 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000740027366 599901631 /nfs/dbraw/zinc/90/16/31/599901631.db2.gz QITIMVDCPFFQBC-UHFFFAOYSA-N -1 0 310.353 3.581 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000736791057 599903627 /nfs/dbraw/zinc/90/36/27/599903627.db2.gz 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599912472 /nfs/dbraw/zinc/91/24/72/599912472.db2.gz JFKSCHVHRJQJJM-KRWDZBQOSA-N -1 0 324.380 3.974 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1F ZINC000347133521 599913005 /nfs/dbraw/zinc/91/30/05/599913005.db2.gz KLNJZERHWIEPPJ-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM Cc1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1C(=O)[O-] ZINC000237837970 599917004 /nfs/dbraw/zinc/91/70/04/599917004.db2.gz STBXSUSJDZEOKX-UHFFFAOYSA-N -1 0 320.348 3.736 20 0 DHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736394084 599923205 /nfs/dbraw/zinc/92/32/05/599923205.db2.gz FEJKCMXWSCDMLO-GJZGRUSLSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736393844 599923291 /nfs/dbraw/zinc/92/32/91/599923291.db2.gz CRKUIXVTVRZAFP-GJZGRUSLSA-N -1 0 304.390 3.721 20 0 DHADRM C[C@@H](CSc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC000736799949 599932562 /nfs/dbraw/zinc/93/25/62/599932562.db2.gz AWBIVAJGXNKXMH-BDAKNGLRSA-N -1 0 322.455 3.629 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000193451921 599936985 /nfs/dbraw/zinc/93/69/85/599936985.db2.gz CMWLLVROPPNXLT-HNNXBMFYSA-N -1 0 323.348 3.769 20 0 DHADRM C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1F ZINC000736218142 599972055 /nfs/dbraw/zinc/97/20/55/599972055.db2.gz LDKNKHXPNWOJHG-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM Cc1cc(COC(=O)c2cccc(NC(=O)[O-])c2)c(C)s1 ZINC000738395802 599997036 /nfs/dbraw/zinc/99/70/36/599997036.db2.gz XSLULVZPZBTUSH-UHFFFAOYSA-N -1 0 305.355 3.812 20 0 DHADRM O=C([O-])C1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000037561793 600006108 /nfs/dbraw/zinc/00/61/08/600006108.db2.gz CDCIDLLBZBPPPB-UHFFFAOYSA-N -1 0 322.714 3.809 20 0 DHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000322456707 600007672 /nfs/dbraw/zinc/00/76/72/600007672.db2.gz GETRCPGMNNBELT-OCCSQVGLSA-N -1 0 322.380 3.860 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000315392801 600012328 /nfs/dbraw/zinc/01/23/28/600012328.db2.gz 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CCS[C@@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C(C)C ZINC000737229951 600076983 /nfs/dbraw/zinc/07/69/83/600076983.db2.gz PCANZVFCAGYIJQ-CYBMUJFWSA-N -1 0 310.419 3.517 20 0 DHADRM CC(=O)Nc1cccc(COc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000736167109 600080465 /nfs/dbraw/zinc/08/04/65/600080465.db2.gz FPVFOQVPRORIDA-UHFFFAOYSA-N -1 0 319.744 3.576 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N[C@H](C(=O)[O-])c2cccs2)CC(C)(C)C1 ZINC000736754629 600080733 /nfs/dbraw/zinc/08/07/33/600080733.db2.gz CSLIEWQBBGLEPB-XUJVJEKNSA-N -1 0 323.458 3.843 20 0 DHADRM C[C@H](CN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1)C(=O)[O-] ZINC000736756570 600081338 /nfs/dbraw/zinc/08/13/38/600081338.db2.gz UICCPWXNHSCFPO-MCIONIFRSA-N -1 0 309.450 3.551 20 0 DHADRM O=C([O-])c1cc(F)ccc1Cn1ccc(-c2ccc(F)cc2)n1 ZINC000740077006 600082183 /nfs/dbraw/zinc/08/21/83/600082183.db2.gz AHHMFACMKXIBEY-UHFFFAOYSA-N -1 0 314.291 3.575 20 0 DHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C(=O)[O-])s1)CCC2 ZINC000237618662 600085332 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Cc1ccc(C)c(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000321550837 600111395 /nfs/dbraw/zinc/11/13/95/600111395.db2.gz ALPJFIQYQLMPIN-UHFFFAOYSA-N -1 0 310.353 3.549 20 0 DHADRM Cc1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])sc1C ZINC000738352830 600114783 /nfs/dbraw/zinc/11/47/83/600114783.db2.gz TYMSZQWZRKKPMC-UHFFFAOYSA-N -1 0 308.330 3.559 20 0 DHADRM C[C@H](OCc1ccccc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000404621627 600115138 /nfs/dbraw/zinc/11/51/38/600115138.db2.gz XUXQABHBRRALLI-LBPRGKRZSA-N -1 0 324.336 3.713 20 0 DHADRM CC/C(=C\C(=O)OCc1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000736833369 600118329 /nfs/dbraw/zinc/11/83/29/600118329.db2.gz CFVDKLRKWATCCS-JLHYYAGUSA-N -1 0 314.337 3.823 20 0 DHADRM CC/C(=C\C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000736834219 600118339 /nfs/dbraw/zinc/11/83/39/600118339.db2.gz HEVOCNLOHPSJIY-ZRDIBKRKSA-N -1 0 300.310 3.515 20 0 DHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2cccs2)c(C)c1C(=O)[O-] ZINC000738235212 600120380 /nfs/dbraw/zinc/12/03/80/600120380.db2.gz 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ZINC000736120647 601097836 /nfs/dbraw/zinc/09/78/36/601097836.db2.gz CCIORCHBWMICHG-OBIHZWKSSA-N -1 0 318.398 3.539 20 0 DHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828527852 601129319 /nfs/dbraw/zinc/12/93/19/601129319.db2.gz PRJONIPAZMNRLZ-NSHDSACASA-N -1 0 311.341 3.885 20 0 DHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828527007 601129415 /nfs/dbraw/zinc/12/94/15/601129415.db2.gz GLRREYBJYRYCAE-NSHDSACASA-N -1 0 311.341 3.885 20 0 DHADRM Cc1c(C(=O)Oc2ccc(NC(=O)[O-])cc2)cnc2ccccc12 ZINC000832853721 601136155 /nfs/dbraw/zinc/13/61/55/601136155.db2.gz MLVYBVDAFVPUGW-UHFFFAOYSA-N -1 0 322.320 3.852 20 0 DHADRM Cc1ccc(NC(=O)N2CCC[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC000397074696 601138695 /nfs/dbraw/zinc/13/86/95/601138695.db2.gz LFURGAYUSIQIEC-CQSZACIVSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1C(=O)[O-] ZINC000316350520 601140123 /nfs/dbraw/zinc/14/01/23/601140123.db2.gz RFWPNOGKXOFVOI-LLVKDONJSA-N -1 0 318.398 3.507 20 0 DHADRM 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ZINC000830157774 601190871 /nfs/dbraw/zinc/19/08/71/601190871.db2.gz NPJIWIKHPGTOHX-ZIAGYGMSSA-N -1 0 322.430 3.571 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000391878278 601196482 /nfs/dbraw/zinc/19/64/82/601196482.db2.gz SJWICKLSPVGISA-INIZCTEOSA-N -1 0 318.417 3.769 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)c2cccc3[nH]ccc32)ccc1F ZINC000833282394 601200009 /nfs/dbraw/zinc/20/00/09/601200009.db2.gz GEFGKYPZKAXGOL-UHFFFAOYSA-N -1 0 313.288 3.649 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000826055133 601204080 /nfs/dbraw/zinc/20/40/80/601204080.db2.gz WDKOJCMPWJJMGZ-MLGOLLRUSA-N -1 0 316.401 3.524 20 0 DHADRM C[C@H](CSCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC000086694467 601208051 /nfs/dbraw/zinc/20/80/51/601208051.db2.gz UIFXBVAVYSMLDX-SSDOTTSWSA-N -1 0 307.184 3.542 20 0 DHADRM CN(Cc1ccc(NCCCOc2ccccc2)cc1)C(=O)[O-] ZINC000830836492 601209971 /nfs/dbraw/zinc/20/99/71/601209971.db2.gz WTEXPQDCGIEARY-UHFFFAOYSA-N -1 0 314.385 3.677 20 0 DHADRM 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314.389 3.628 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828148590 601266669 /nfs/dbraw/zinc/26/66/69/601266669.db2.gz AQMJDBFLAOJOQT-GUYCJALGSA-N -1 0 324.380 3.795 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC12CCCC2 ZINC000262602273 601269601 /nfs/dbraw/zinc/26/96/01/601269601.db2.gz KBAFRYCIASVXJI-ZDUSSCGKSA-N -1 0 317.385 3.691 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236687475 601277934 /nfs/dbraw/zinc/27/79/34/601277934.db2.gz IGBMBKKCDAEMLD-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000776647526 601278240 /nfs/dbraw/zinc/27/82/40/601278240.db2.gz IGBMBKKCDAEMLD-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM C/C=C(/C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000828535047 601282430 /nfs/dbraw/zinc/28/24/30/601282430.db2.gz VNZNRZRHYFWQSU-HXUAIIEXSA-N -1 0 316.184 3.544 20 0 DHADRM CCC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC000676018203 601283720 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CC[C@]1(C)CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000826645891 603325941 /nfs/dbraw/zinc/32/59/41/603325941.db2.gz WLPZWDYNTCPVOH-MRXNPFEDSA-N -1 0 323.368 3.960 20 0 DHADRM CCc1cccc(NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000739547162 603329402 /nfs/dbraw/zinc/32/94/02/603329402.db2.gz INLBSGSJHROLQS-UHFFFAOYSA-N -1 0 313.357 3.661 20 0 DHADRM CCN(C(=O)Nc1ccccc1CN(C)C(=O)[O-])[C@@H](C)C(C)C ZINC000739381713 603335812 /nfs/dbraw/zinc/33/58/12/603335812.db2.gz MWSWDYOCRIEIJL-ZDUSSCGKSA-N -1 0 321.421 3.695 20 0 DHADRM C[C@@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])C(C)(C)C ZINC000738920849 603336944 /nfs/dbraw/zinc/33/69/44/603336944.db2.gz QDZDOTZAZAYUJT-LBPRGKRZSA-N -1 0 321.421 3.600 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739301833 603344176 /nfs/dbraw/zinc/34/41/76/603344176.db2.gz PGOGJTBHBJNDID-ZDUSSCGKSA-N -1 0 321.421 3.839 20 0 DHADRM CCN(Cc1ccccc1NC(=O)NCCCC(C)C)C(=O)[O-] ZINC000739444337 603350975 /nfs/dbraw/zinc/35/09/75/603350975.db2.gz 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603369832 /nfs/dbraw/zinc/36/98/32/603369832.db2.gz OVAUUZOHPOFITD-UHFFFAOYSA-N -1 0 302.305 3.501 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C)CC2)cc1 ZINC000825426783 603380262 /nfs/dbraw/zinc/38/02/62/603380262.db2.gz JNULNAHSGBXAGT-GFCCVEGCSA-N -1 0 319.405 3.669 20 0 DHADRM CCCCCCNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826820114 603384420 /nfs/dbraw/zinc/38/44/20/603384420.db2.gz JZBXBWMIBSPDQW-LBPRGKRZSA-N -1 0 307.394 3.717 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)cc1NC(=O)[O-] ZINC000830206028 603386923 /nfs/dbraw/zinc/38/69/23/603386923.db2.gz WAWZSPUNIHPQRA-LLVKDONJSA-N -1 0 318.398 3.507 20 0 DHADRM O=C([O-])N1CCC[C@H]1Cc1nc(-c2cccc3ccccc32)no1 ZINC000832005962 603417671 /nfs/dbraw/zinc/41/76/71/603417671.db2.gz OPQBONPPILHZPJ-ZDUSSCGKSA-N -1 0 323.352 3.575 20 0 DHADRM O=C([O-])N[C@H]1CC[C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000832319588 603417914 /nfs/dbraw/zinc/41/79/14/603417914.db2.gz YRRBADCBSVFEOQ-STQMWFEESA-N -1 0 323.352 3.794 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738691956 603419976 /nfs/dbraw/zinc/41/99/76/603419976.db2.gz PLWIJUURBSNXON-ZDUSSCGKSA-N -1 0 312.369 3.884 20 0 DHADRM Cc1[nH]c2ccccc2c1CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829828917 603476693 /nfs/dbraw/zinc/47/66/93/603476693.db2.gz WQGVJDNFINHZNF-UHFFFAOYSA-N -1 0 324.336 3.714 20 0 DHADRM O=C([O-])Nc1cc(C(=O)Oc2cccc3[nH]ccc32)ccc1F ZINC000832820897 603487473 /nfs/dbraw/zinc/48/74/73/603487473.db2.gz OCUPQJAHHWYJAP-UHFFFAOYSA-N -1 0 314.272 3.616 20 0 DHADRM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1Cl ZINC000825503388 603553703 /nfs/dbraw/zinc/55/37/03/603553703.db2.gz SFQAETCGGJPVGY-SECBINFHSA-N -1 0 323.755 3.815 20 0 DHADRM CS/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000829717156 603592508 /nfs/dbraw/zinc/59/25/08/603592508.db2.gz VVOJHIJVVBFJQG-PLNGDYQASA-N -1 0 320.292 3.611 20 0 DHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000824233215 603597984 /nfs/dbraw/zinc/59/79/84/603597984.db2.gz 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O=C([O-])Nc1ccc(C(=O)N(CC(F)F)c2ccccc2)cc1 ZINC000832829471 604202740 /nfs/dbraw/zinc/20/27/40/604202740.db2.gz RXPUEHFKCIBSGV-UHFFFAOYSA-N -1 0 320.295 3.688 20 0 DHADRM CCOc1ccccc1OC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827460221 604216730 /nfs/dbraw/zinc/21/67/30/604216730.db2.gz PLMZUVIVKCLHRF-UHFFFAOYSA-N -1 0 315.325 3.703 20 0 DHADRM O=C([O-])N1CCCN(Cc2cnc(Cl)s2)c2ccccc21 ZINC000832015642 604217909 /nfs/dbraw/zinc/21/79/09/604217909.db2.gz SIHPICMKQJAWSY-UHFFFAOYSA-N -1 0 323.805 3.691 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccc(NC(=O)[O-])nc2)s1 ZINC000830296606 604227942 /nfs/dbraw/zinc/22/79/42/604227942.db2.gz MTALHAQJADSOSS-UHFFFAOYSA-N -1 0 319.386 3.503 20 0 DHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000825603656 604230230 /nfs/dbraw/zinc/23/02/30/604230230.db2.gz SICUYOSDQNLVAV-VIFPVBQESA-N -1 0 323.732 3.619 20 0 DHADRM C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000825772575 604245155 /nfs/dbraw/zinc/24/51/55/604245155.db2.gz MTRSRSNPURXCPT-LJQANCHMSA-N -1 0 324.380 3.580 20 0 DHADRM CCCC[C@H](CC)C(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000826775331 604245205 /nfs/dbraw/zinc/24/52/05/604245205.db2.gz OOWFFQQMSWBLMW-HNNXBMFYSA-N -1 0 324.465 3.584 20 0 DHADRM CCCc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000388761713 604266400 /nfs/dbraw/zinc/26/64/00/604266400.db2.gz DZWKXYJXQJNARC-UHFFFAOYSA-N -1 0 300.358 3.535 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccsc2)cc1 ZINC000825442707 604273291 /nfs/dbraw/zinc/27/32/91/604273291.db2.gz NMVRWKWEULZVPT-SECBINFHSA-N -1 0 305.359 3.721 20 0 DHADRM COc1cc(NC(=O)C(F)=C2CCCC2)ccc1NC(=O)[O-] ZINC000829153745 604278082 /nfs/dbraw/zinc/27/80/82/604278082.db2.gz OGNQYUFUDXMEFK-UHFFFAOYSA-N -1 0 308.309 3.521 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000828286710 604281189 /nfs/dbraw/zinc/28/11/89/604281189.db2.gz YXNXHQPBPOHTIZ-PVXIVEMSSA-N -1 0 319.376 3.565 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829244930 604294628 /nfs/dbraw/zinc/29/46/28/604294628.db2.gz DPKZVNHZVXATKM-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829244922 604294808 /nfs/dbraw/zinc/29/48/08/604294808.db2.gz DPKZVNHZVXATKM-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM CCc1ccccc1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827604130 604297003 /nfs/dbraw/zinc/29/70/03/604297003.db2.gz GHDRJWQOKLMIPB-UKRRQHHQSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000191040209 604310769 /nfs/dbraw/zinc/31/07/69/604310769.db2.gz QBQVASLYBASEKA-WTNGLUPJSA-N -1 0 309.450 3.552 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000316812180 604333929 /nfs/dbraw/zinc/33/39/29/604333929.db2.gz PZJOMTJRNFXGKB-UHFFFAOYSA-N -1 0 308.422 3.666 20 0 DHADRM CC(C)c1nsc(NCc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000824516133 604345314 /nfs/dbraw/zinc/34/53/14/604345314.db2.gz VEDYOUKYXFIVNP-SNVBAGLBSA-N -1 0 320.418 3.602 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828232134 604376652 /nfs/dbraw/zinc/37/66/52/604376652.db2.gz BBQWSXDMUKQDCT-KBMXLJTQSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828221835 604380041 /nfs/dbraw/zinc/38/00/41/604380041.db2.gz ZJVMPYIPFDNNJV-CKEIUWERSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828221838 604380109 /nfs/dbraw/zinc/38/01/09/604380109.db2.gz ZJVMPYIPFDNNJV-KEYYUXOJSA-N -1 0 317.429 3.781 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CCCCC1 ZINC000829020848 604428520 /nfs/dbraw/zinc/42/85/20/604428520.db2.gz LUIQIMHBQMBUOC-MRXNPFEDSA-N -1 0 303.402 3.631 20 0 DHADRM CCc1ccccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830276376 604439372 /nfs/dbraw/zinc/43/93/72/604439372.db2.gz HDUYXOAQYVOQTD-UHFFFAOYSA-N -1 0 312.369 3.611 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)C1(NC(=O)[O-])CC1 ZINC000830138468 604447181 /nfs/dbraw/zinc/44/71/81/604447181.db2.gz UWIQPHRBCLGMFT-UHFFFAOYSA-N -1 0 322.430 3.624 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC000825377285 604454797 /nfs/dbraw/zinc/45/47/97/604454797.db2.gz AELMJCYJXHOLPP-CYBMUJFWSA-N -1 0 316.401 3.522 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1ccsc1C(=O)[O-] ZINC000833446764 604469299 /nfs/dbraw/zinc/46/92/99/604469299.db2.gz HPCBMQOXNDTOHI-UHFFFAOYSA-N -1 0 301.433 3.697 20 0 DHADRM CC(C)(C)[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(F)(F)F ZINC000833426681 604473818 /nfs/dbraw/zinc/47/38/18/604473818.db2.gz KELXNUPCSUOOCY-LBPRGKRZSA-N -1 0 322.254 3.658 20 0 DHADRM CC[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC000828943519 604474928 /nfs/dbraw/zinc/47/49/28/604474928.db2.gz NOYHLTDKEMQDLD-GJZGRUSLSA-N -1 0 320.433 3.572 20 0 DHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000827117310 604477962 /nfs/dbraw/zinc/47/79/62/604477962.db2.gz AMZNTHGBAMFZAZ-CZUORRHYSA-N -1 0 318.417 3.520 20 0 DHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccn1 ZINC000829223293 604485044 /nfs/dbraw/zinc/48/50/44/604485044.db2.gz OVFYXVLQSLXAMP-LBPRGKRZSA-N -1 0 319.386 3.504 20 0 DHADRM Cc1cc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC000832871574 604490854 /nfs/dbraw/zinc/49/08/54/604490854.db2.gz UFWHRWOPNUSTNB-VIFPVBQESA-N -1 0 322.361 3.777 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000833150564 604491556 /nfs/dbraw/zinc/49/15/56/604491556.db2.gz IJYWQFWYVAISLE-JBLDHEPKSA-N -1 0 308.403 3.537 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(Cl)s2)oc1C(=O)[O-] ZINC000832874014 604543086 /nfs/dbraw/zinc/54/30/86/604543086.db2.gz HERXXCNEZIWIPH-SSDOTTSWSA-N -1 0 314.746 3.919 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000827117815 604544872 /nfs/dbraw/zinc/54/48/72/604544872.db2.gz JYYFUBPSVWAKSR-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2ccccc2Cl)oc1C(=O)[O-] ZINC000832873784 604545194 /nfs/dbraw/zinc/54/51/94/604545194.db2.gz FVFCJZTYCGLZCG-VIFPVBQESA-N -1 0 308.717 3.858 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C/c2cccs2)oc1C(=O)[O-] ZINC000832873588 604548357 /nfs/dbraw/zinc/54/83/57/604548357.db2.gz HCVKAEMEWKTQGA-PORFMDCZSA-N -1 0 306.339 3.665 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C/c2cccc(F)c2)oc1C(=O)[O-] ZINC000832871757 604548434 /nfs/dbraw/zinc/54/84/34/604548434.db2.gz DKOITHLAMPCGPX-MLRMMBSGSA-N -1 0 318.300 3.743 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)CCc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832870925 604550466 /nfs/dbraw/zinc/55/04/66/604550466.db2.gz DBPGZIZWCSBPFC-LLVKDONJSA-N -1 0 320.316 3.662 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C/c2ccccc2F)oc1C(=O)[O-] ZINC000832874793 604554461 /nfs/dbraw/zinc/55/44/61/604554461.db2.gz LOEAYOSUHINMPL-WSKFYRRCSA-N -1 0 318.300 3.743 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C\c2ccccc2F)oc1C(=O)[O-] ZINC000832874785 604554513 /nfs/dbraw/zinc/55/45/13/604554513.db2.gz LOEAYOSUHINMPL-SKVAFPRGSA-N -1 0 318.300 3.743 20 0 DHADRM CC1(C)CCC[C@@H](CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833561668 604554648 /nfs/dbraw/zinc/55/46/48/604554648.db2.gz VNIPUQBMKCJYRZ-ZDUSSCGKSA-N -1 0 315.413 3.834 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)CCCc2ccccc2)oc1C(=O)[O-] ZINC000832878542 604567361 /nfs/dbraw/zinc/56/73/61/604567361.db2.gz XXZHYFHFARDFHC-CYBMUJFWSA-N -1 0 316.353 3.913 20 0 DHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000088710127 604579858 /nfs/dbraw/zinc/57/98/58/604579858.db2.gz SIVXMEHAXXEVRW-VHSXEESVSA-N -1 0 310.781 3.691 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C ZINC000050567969 604580075 /nfs/dbraw/zinc/58/00/75/604580075.db2.gz LFTXQLKKRRQRPM-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)c2cccc(F)c2)oc1C(=O)[O-] ZINC000832878936 604592736 /nfs/dbraw/zinc/59/27/36/604592736.db2.gz ZIVUVQFXWORFMC-MNOVXSKESA-N -1 0 320.316 3.833 20 0 DHADRM CC1=CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000515305790 604616965 /nfs/dbraw/zinc/61/69/65/604616965.db2.gz IHMYYILJOCBXTE-UHFFFAOYSA-N -1 0 314.410 3.660 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000826860772 604624558 /nfs/dbraw/zinc/62/45/58/604624558.db2.gz GQESFNZHXSZABI-MRXNPFEDSA-N -1 0 318.417 3.746 20 0 DHADRM CCn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000833682686 604625234 /nfs/dbraw/zinc/62/52/34/604625234.db2.gz SNRQEUDZPQZCFJ-QGZVFWFLSA-N -1 0 323.348 3.644 20 0 DHADRM CCn1cc(C(=O)OCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833681765 604625683 /nfs/dbraw/zinc/62/56/83/604625683.db2.gz FCMUVMVCEVXOHQ-UHFFFAOYSA-N -1 0 323.348 3.716 20 0 DHADRM O=C([O-])c1ccc(CCNc2nc(C(F)(F)F)cs2)cc1 ZINC000833315160 604630210 /nfs/dbraw/zinc/63/02/10/604630210.db2.gz SKXXIDHRBIVPQJ-UHFFFAOYSA-N -1 0 316.304 3.515 20 0 DHADRM CC(C)(C)c1ncc(CN2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000833451163 604635179 /nfs/dbraw/zinc/63/51/79/604635179.db2.gz SAAMZZMVIDEGLR-UHFFFAOYSA-N -1 0 316.426 3.655 20 0 DHADRM O=C([O-])c1ccc(N2CCC[C@@H]2CCC2CCCCC2)nn1 ZINC000833318083 604645620 /nfs/dbraw/zinc/64/56/20/604645620.db2.gz FRYXIXJUKYUJTE-CQSZACIVSA-N -1 0 303.406 3.504 20 0 DHADRM CCc1cc(C)c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)o1 ZINC000830218723 604670923 /nfs/dbraw/zinc/67/09/23/604670923.db2.gz KFMPSOCJTUBJJE-UHFFFAOYSA-N -1 0 302.330 3.517 20 0 DHADRM O=C([O-])CCCCNC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000666558180 604684187 /nfs/dbraw/zinc/68/41/87/604684187.db2.gz BQLYKMFVNFAEPB-MRXNPFEDSA-N -1 0 324.465 3.776 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000833289098 604702208 /nfs/dbraw/zinc/70/22/08/604702208.db2.gz FXSGLNXVYHPSNM-UHFFFAOYSA-N -1 0 309.680 3.788 20 0 DHADRM CC(C)Oc1ccccc1[C@@H](C)Nc1cccc(C(=O)[O-])n1 ZINC000833507230 604711792 /nfs/dbraw/zinc/71/17/92/604711792.db2.gz CINIHDHCXDJSFC-GFCCVEGCSA-N -1 0 300.358 3.740 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833386326 604724251 /nfs/dbraw/zinc/72/42/51/604724251.db2.gz NGIVJKOMPUCTGH-NTMALXAHSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@H](c1ccccc1)N(C(=O)Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833548219 604724856 /nfs/dbraw/zinc/72/48/56/604724856.db2.gz JDKHKVBNRQGTNJ-CQSZACIVSA-N -1 0 323.392 3.680 20 0 DHADRM CN(C(=O)CCCCCc1cccs1)C1(C(=O)[O-])CCCC1 ZINC000830471390 604725398 /nfs/dbraw/zinc/72/53/98/604725398.db2.gz DUEWAVPJDBKFIR-UHFFFAOYSA-N -1 0 323.458 3.707 20 0 DHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000833533700 604731782 /nfs/dbraw/zinc/73/17/82/604731782.db2.gz ZIBCWPPEWDBMBS-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000833529668 604734690 /nfs/dbraw/zinc/73/46/90/604734690.db2.gz PGGJBRJHZTXBDU-GFCCVEGCSA-N -1 0 316.328 3.761 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000761683878 604740391 /nfs/dbraw/zinc/74/03/91/604740391.db2.gz VFASPKUBECUYLT-ZHACJKMWSA-N -1 0 321.804 3.503 20 0 DHADRM COC1CCC(CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CC1 ZINC000833719513 604775706 /nfs/dbraw/zinc/77/57/06/604775706.db2.gz PWYUODRFZPHRLB-FUJMWEONSA-N -1 0 320.385 3.584 20 0 DHADRM O=C([O-])Nc1ccccc1OCc1noc(C2CCCCC2)n1 ZINC000833287194 604795183 /nfs/dbraw/zinc/79/51/83/604795183.db2.gz FHXMEJFTLKCDGV-UHFFFAOYSA-N -1 0 317.345 3.786 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NCc1noc(C2CCCCC2)n1 ZINC000832918515 604797182 /nfs/dbraw/zinc/79/71/82/604797182.db2.gz JGXBVNQSFXXZBW-UHFFFAOYSA-N -1 0 315.373 3.736 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1F ZINC000833154056 604807216 /nfs/dbraw/zinc/80/72/16/604807216.db2.gz RBMWHNUYHVZRDF-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM Cc1c(NC(=O)c2ccc(F)c(Cl)c2)cccc1C(=O)[O-] ZINC000212265985 604807399 /nfs/dbraw/zinc/80/73/99/604807399.db2.gz LZTJNUBBGFKBME-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-n3cccc3)c2)cc1F ZINC000833158759 604811672 /nfs/dbraw/zinc/81/16/72/604811672.db2.gz SDAWPJAAUNUQNS-UHFFFAOYSA-N -1 0 324.311 3.567 20 0 DHADRM CCC(CC)n1ccc(CNc2cc(C(=O)[O-])ccc2F)n1 ZINC000828870660 604812979 /nfs/dbraw/zinc/81/29/79/604812979.db2.gz UGPTXNXAKUXVOE-UHFFFAOYSA-N -1 0 305.353 3.694 20 0 DHADRM COc1ccccc1CSc1nc(Cl)c(C(=O)[O-])s1 ZINC000833736427 604828591 /nfs/dbraw/zinc/82/85/91/604828591.db2.gz JEDDCZGDARZBRY-UHFFFAOYSA-N -1 0 315.803 3.796 20 0 DHADRM Cc1cc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)s1 ZINC000832885399 604854452 /nfs/dbraw/zinc/85/44/52/604854452.db2.gz NFMZQKLITAHYQW-UHFFFAOYSA-N -1 0 308.330 3.559 20 0 DHADRM C/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)C(C)(C)C ZINC000833382580 604856800 /nfs/dbraw/zinc/85/68/00/604856800.db2.gz OOIPRVVDBKARNN-GCZGRYASSA-N -1 0 301.386 3.584 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nccc3ccc(F)cc32)C1 ZINC000833419452 604874134 /nfs/dbraw/zinc/87/41/34/604874134.db2.gz KYBCOBWZNVDHNS-CYBMUJFWSA-N -1 0 316.376 3.701 20 0 DHADRM CCc1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833669604 604878758 /nfs/dbraw/zinc/87/87/58/604878758.db2.gz HSRKCJDFLYOUOL-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CC(C)CC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCC1 ZINC000679106181 604880721 /nfs/dbraw/zinc/88/07/21/604880721.db2.gz 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ZINC000037457132 939031083 /nfs/dbraw/zinc/03/10/83/939031083.db2.gz IBSYGRAEBGARGK-UHFFFAOYSA-N -1 0 309.431 3.526 20 0 DHADRM CCc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000316676707 939121953 /nfs/dbraw/zinc/12/19/53/939121953.db2.gz UWKQKUXTTBVRDR-UHFFFAOYSA-N -1 0 304.390 3.548 20 0 DHADRM CSc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000316619309 939122016 /nfs/dbraw/zinc/12/20/16/939122016.db2.gz LGNIFWNTXFDIEC-UHFFFAOYSA-N -1 0 322.430 3.708 20 0 DHADRM CC[C@@](NC(=O)/C=C/C(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795545726 939157806 /nfs/dbraw/zinc/15/78/06/939157806.db2.gz NECLGKSVYDATRN-DVQDXYAYSA-N -1 0 323.820 3.748 20 0 DHADRM CC/C=C(/C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543363 939157820 /nfs/dbraw/zinc/15/78/20/939157820.db2.gz FVAIYHMKGSWFAX-BDJZEXMMSA-N -1 0 309.793 3.502 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448999386 939206794 /nfs/dbraw/zinc/20/67/94/939206794.db2.gz XCRAVDXKULWHHI-FZMZJTMJSA-N -1 0 309.431 3.597 20 0 DHADRM C[C@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000569021993 939372163 /nfs/dbraw/zinc/37/21/63/939372163.db2.gz QEUNXHJWSFJBRR-MLGOLLRUSA-N -1 0 317.410 3.574 20 0 DHADRM CC(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000572472563 939399742 /nfs/dbraw/zinc/39/97/42/939399742.db2.gz DRXGXIZAKGDWBH-AWEZNQCLSA-N -1 0 318.398 3.819 20 0 DHADRM CC(C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)=C1CCC1 ZINC000910935569 939759114 /nfs/dbraw/zinc/75/91/14/939759114.db2.gz IBNGLCWPSVFWGG-KRWDZBQOSA-N -1 0 309.365 3.582 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000579667047 939764031 /nfs/dbraw/zinc/76/40/31/939764031.db2.gz JEZIRVIURBLVPO-INIZCTEOSA-N -1 0 312.369 3.559 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)s1 ZINC000653666316 939838869 /nfs/dbraw/zinc/83/88/69/939838869.db2.gz UHPUZOXWCAAGIZ-HNNXBMFYSA-N -1 0 317.410 3.537 20 0 DHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663040947 939850888 /nfs/dbraw/zinc/85/08/88/939850888.db2.gz 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ZINC001602736185 971421202 /nfs/dbraw/zinc/42/12/02/971421202.db2.gz JDVNZMCVHWYBMC-VAWYXSNFSA-N -1 0 301.386 3.656 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000000022948 948765929 /nfs/dbraw/zinc/76/59/29/948765929.db2.gz UHQZDUOYHHNMGN-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000008187802 948771365 /nfs/dbraw/zinc/77/13/65/948771365.db2.gz LHYVOGPAGXKUBT-UHFFFAOYSA-N -1 0 305.333 3.719 20 0 DHADRM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC001589563854 948835387 /nfs/dbraw/zinc/83/53/87/948835387.db2.gz CSVSUWJTBOXARI-SLZMIMFISA-N -1 0 313.353 3.567 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCc2ccccc21 ZINC000328589099 971512035 /nfs/dbraw/zinc/51/20/35/971512035.db2.gz YEQNZXPRSRTDQG-XHSDSOJGSA-N -1 0 301.386 3.706 20 0 DHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535811 948855851 /nfs/dbraw/zinc/85/58/51/948855851.db2.gz UZLJVKJQBDLWQT-LLVKDONJSA-N -1 0 319.188 3.614 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2ccc(C)cc2)n1 ZINC000336850051 971515050 /nfs/dbraw/zinc/51/50/50/971515050.db2.gz LUNOEWKVYHBVJB-ZDUSSCGKSA-N -1 0 318.442 3.804 20 0 DHADRM CCCC[C@H](NC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000347266321 971522841 /nfs/dbraw/zinc/52/28/41/971522841.db2.gz VGUDGKXCCFCOPW-ZDUSSCGKSA-N -1 0 323.458 3.710 20 0 DHADRM CCCC[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000347272695 971522878 /nfs/dbraw/zinc/52/28/78/971522878.db2.gz WDPXCPHGIUVRJA-CYBMUJFWSA-N -1 0 317.385 3.731 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000349456330 971527353 /nfs/dbraw/zinc/52/73/53/971527353.db2.gz ATUQMQVTIZINJG-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000358589893 971531542 /nfs/dbraw/zinc/53/15/42/971531542.db2.gz KNSNJMBCPPUKHQ-QGZVFWFLSA-N -1 0 307.365 3.566 20 0 DHADRM Cc1cc(C)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000358595591 971531602 /nfs/dbraw/zinc/53/16/02/971531602.db2.gz RJVKPOGRSWEIMX-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM CC[C@@H](Sc1nnc(Nc2cccc(C)c2)s1)C(=O)[O-] ZINC001589586919 949061365 /nfs/dbraw/zinc/06/13/65/949061365.db2.gz ZGPRBCTZPNTNTP-SNVBAGLBSA-N -1 0 309.416 3.545 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589586906 949062655 /nfs/dbraw/zinc/06/26/55/949062655.db2.gz ZFNWCKOTFWYIAO-GVDBMIGSSA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001589603195 949205866 /nfs/dbraw/zinc/20/58/66/949205866.db2.gz INLSSGGZHPBQCM-GOSISDBHSA-N -1 0 303.402 3.527 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C(C)C)C1 ZINC001589605665 949259498 /nfs/dbraw/zinc/25/94/98/949259498.db2.gz VRBNBBAUNQSHHT-SFHVURJKSA-N -1 0 303.402 3.527 20 0 DHADRM CCC1(CC)CCC(NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001589612616 949337924 /nfs/dbraw/zinc/33/79/24/949337924.db2.gz VSMCXOLOBFCDBW-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589612599 949338382 /nfs/dbraw/zinc/33/83/82/949338382.db2.gz UNOXIEAWKVLYKE-SFHVURJKSA-N -1 0 307.434 3.616 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC001595233926 949381214 /nfs/dbraw/zinc/38/12/14/949381214.db2.gz YZZXVEDAHHXUMJ-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)NC[C@H](C)C(=O)[O-])o2)c1 ZINC000190964083 949505001 /nfs/dbraw/zinc/50/50/01/949505001.db2.gz XNGXKPBJBROXPI-LBPRGKRZSA-N -1 0 315.369 3.521 20 0 DHADRM CCCC(=CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)CCC ZINC001589627676 949516296 /nfs/dbraw/zinc/51/62/96/949516296.db2.gz ZOUWUJOELQNYJI-QGZVFWFLSA-N -1 0 315.413 3.724 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000212096245 949530365 /nfs/dbraw/zinc/53/03/65/949530365.db2.gz WAFOOJQJYOSQQN-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CCC[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001589630788 949534341 /nfs/dbraw/zinc/53/43/41/949534341.db2.gz NVIAUVKKBDMZND-CABCVRRESA-N -1 0 323.820 3.689 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 ZINC001595249707 949544013 /nfs/dbraw/zinc/54/40/13/949544013.db2.gz LSKJQRPBBPHIRA-OAHLLOKOSA-N -1 0 314.316 3.503 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589637257 949623330 /nfs/dbraw/zinc/62/33/30/949623330.db2.gz ASVCKPWBMDBTOK-GOEBONIOSA-N -1 0 318.417 3.543 20 0 DHADRM CC[C@H](C)[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000379073023 971597658 /nfs/dbraw/zinc/59/76/58/971597658.db2.gz UZEONTQPYJBARP-KMCQBPLKSA-N -1 0 317.429 3.576 20 0 DHADRM CCCCC1CCC(c2cc(NC(=O)[C@@H](C)C(=O)[O-])n[nH]2)CC1 ZINC001589639609 949666465 /nfs/dbraw/zinc/66/64/65/949666465.db2.gz FFDOKPVKTSSUAN-PNESKVBLSA-N -1 0 321.421 3.533 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589642397 949707044 /nfs/dbraw/zinc/70/70/44/949707044.db2.gz SDTAEYWZLIJEBF-KSSFIOAISA-N -1 0 305.418 3.709 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237319541 949956646 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CCCc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001589691346 950115556 /nfs/dbraw/zinc/11/55/56/950115556.db2.gz JSNVIGISJHHIMU-HNNXBMFYSA-N -1 0 305.418 3.506 20 0 DHADRM CCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589706879 950301101 /nfs/dbraw/zinc/30/11/01/950301101.db2.gz JCKLXNNLOIPERN-CYBMUJFWSA-N -1 0 312.369 3.681 20 0 DHADRM CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000317379869 950906211 /nfs/dbraw/zinc/90/62/11/950906211.db2.gz IJPKWBPPTBJHEQ-ZDUSSCGKSA-N -1 0 315.394 3.529 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001602854625 971705477 /nfs/dbraw/zinc/70/54/77/971705477.db2.gz QETHGIMYFJWBDT-SNUQEOBHSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001602854627 971705586 /nfs/dbraw/zinc/70/55/86/971705586.db2.gz QETHGIMYFJWBDT-VFVRVIDISA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001595008499 951234087 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O=C([O-])Cc1cccc(NC(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC001595131964 952037907 /nfs/dbraw/zinc/03/79/07/952037907.db2.gz AQLYGKAIZDVWFP-INIZCTEOSA-N -1 0 316.401 3.500 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 ZINC001595132716 952044687 /nfs/dbraw/zinc/04/46/87/952044687.db2.gz OSRVMSFTGJRRJP-UHFFFAOYSA-N -1 0 307.349 3.525 20 0 DHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)[C@@H]1CC2CCC1CC2 ZINC000382097700 971799913 /nfs/dbraw/zinc/79/99/13/971799913.db2.gz JRCIWPAIUWOYLP-LMPOIIKSSA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)C2(C(F)F)CCC2)c1Cl ZINC001595207304 952338201 /nfs/dbraw/zinc/33/82/01/952338201.db2.gz WBKKOPJLLCNPJJ-UHFFFAOYSA-N -1 0 321.682 3.551 20 0 DHADRM CC(C)(C)c1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1O ZINC001602923103 971884315 /nfs/dbraw/zinc/88/43/15/971884315.db2.gz MFGNSBJMGJXRDF-UHFFFAOYSA-N -1 0 319.401 3.663 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424252103 953437926 /nfs/dbraw/zinc/43/79/26/953437926.db2.gz 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O=C([O-])c1cccc(NC(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC001594809077 953798872 /nfs/dbraw/zinc/79/88/72/953798872.db2.gz KYBVAPWLSBVQCU-CQSZACIVSA-N -1 0 316.382 3.719 20 0 DHADRM O=C([O-])[C@H]1CCCN(C(=O)c2cc3c(ccc4ccccc34)o2)C1 ZINC000630098646 953834990 /nfs/dbraw/zinc/83/49/90/953834990.db2.gz VJHNQZFHXNYENR-ZDUSSCGKSA-N -1 0 323.348 3.523 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000630100090 953835036 /nfs/dbraw/zinc/83/50/36/953835036.db2.gz FUPPGMZZCQSAIT-OAHLLOKOSA-N -1 0 323.348 3.665 20 0 DHADRM Cc1oc(-c2ccccc2)cc1C(=O)NCCCCCC(=O)[O-] ZINC000630132521 953838995 /nfs/dbraw/zinc/83/89/95/953838995.db2.gz NSLJFIFWCMEUAV-UHFFFAOYSA-N -1 0 315.369 3.630 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589319027 953841080 /nfs/dbraw/zinc/84/10/80/953841080.db2.gz DPVFXQUSUHDVKC-ZFWWWQNUSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000630158797 953843028 /nfs/dbraw/zinc/84/30/28/953843028.db2.gz VBBDAPOGCZSSAU-ZBFHGGJFSA-N -1 0 317.429 3.659 20 0 DHADRM Cc1ccc([C@H]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)C2)cc1 ZINC000630295524 953851074 /nfs/dbraw/zinc/85/10/74/953851074.db2.gz GOOASNUYPDTKIJ-INIZCTEOSA-N -1 0 323.392 3.631 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(C)c1Cl ZINC000630567162 953864669 /nfs/dbraw/zinc/86/46/69/953864669.db2.gz DZSHIWGXXNPGRY-AAEUAGOBSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(C)c1Cl ZINC000630567164 953864947 /nfs/dbraw/zinc/86/49/47/953864947.db2.gz DZSHIWGXXNPGRY-DGCLKSJQSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000630568249 953866489 /nfs/dbraw/zinc/86/64/89/953866489.db2.gz PIUNRVAUECXDIW-JQWIXIFHSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589321182 953878009 /nfs/dbraw/zinc/87/80/09/953878009.db2.gz RDYYKICTIDDGFX-MRVPVSSYSA-N -1 0 314.744 3.584 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)C1(C)C ZINC001589324267 953887029 /nfs/dbraw/zinc/88/70/29/953887029.db2.gz QTJFMOKJHWZKFL-SEZUTPLYSA-N -1 0 307.434 3.519 20 0 DHADRM Cc1cc(C)c(NC(=O)NCCC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000644169455 953912455 /nfs/dbraw/zinc/91/24/55/953912455.db2.gz ZNIGALHSEUXUPK-UHFFFAOYSA-N -1 0 312.797 3.579 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 ZINC001594837048 954034408 /nfs/dbraw/zinc/03/44/08/954034408.db2.gz FJYUJROQOPWGFI-INIZCTEOSA-N -1 0 309.321 3.635 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1nc(C2CCCCCC2)cs1)C1CC1 ZINC001594838117 954046030 /nfs/dbraw/zinc/04/60/30/954046030.db2.gz KIBFWNUZQFHFDL-CYBMUJFWSA-N -1 0 322.430 3.630 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653329014 954158135 /nfs/dbraw/zinc/15/81/35/954158135.db2.gz QFLOEINVJZVJLQ-IAGOWNOFSA-N -1 0 323.392 3.655 20 0 DHADRM Cc1cccc([C@H](C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653331872 954162371 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CC(C)CCc1nc(CN(CC(=O)[O-])CC(C)(C)C)cs1 ZINC000662224976 954394859 /nfs/dbraw/zinc/39/48/59/954394859.db2.gz GRKAFTCELWBZEM-UHFFFAOYSA-N -1 0 312.479 3.664 20 0 DHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cc2ccccc2s1 ZINC000663051848 954424614 /nfs/dbraw/zinc/42/46/14/954424614.db2.gz GAHIAUBAMQWUPU-DYZYQPBXSA-N -1 0 317.410 3.579 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4cc(Cl)ccc4o3)n2)CCC1 ZINC001594884831 954452970 /nfs/dbraw/zinc/45/29/70/954452970.db2.gz VAUZHBCVKUGOMR-UHFFFAOYSA-N -1 0 318.716 3.643 20 0 DHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593759333 954469215 /nfs/dbraw/zinc/46/92/15/954469215.db2.gz GKCOAWFQYONZOO-HNNXBMFYSA-N -1 0 319.445 3.689 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2ccn(C(F)F)c2c1 ZINC000663127037 954518282 /nfs/dbraw/zinc/51/82/82/954518282.db2.gz FMSWUDKJDGYAEU-GFCCVEGCSA-N -1 0 324.327 3.722 20 0 DHADRM CC1(C)CN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC000663156509 954534562 /nfs/dbraw/zinc/53/45/62/954534562.db2.gz KYXSPQXEJMBLDL-CQSZACIVSA-N -1 0 315.394 3.670 20 0 DHADRM C[C@H]1N(C(=O)Cc2ccccc2C(=O)[O-])c2ccccc2C1(C)C ZINC001589413167 954536136 /nfs/dbraw/zinc/53/61/36/954536136.db2.gz QVJLQOLIUAMHHH-CYBMUJFWSA-N -1 0 323.392 3.640 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000385941733 972023151 /nfs/dbraw/zinc/02/31/51/972023151.db2.gz CJMPQQNZOGOBDH-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)NC2(CC(=O)[O-])CCCCC2)C1(C)C ZINC000675997154 954580862 /nfs/dbraw/zinc/58/08/62/954580862.db2.gz HXKXSVSCUQXEDF-HIFRSBDPSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000679101781 954593218 /nfs/dbraw/zinc/59/32/18/954593218.db2.gz ZUCJSQOSOHSUMJ-MRXNPFEDSA-N -1 0 317.429 3.602 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589446968 954773279 /nfs/dbraw/zinc/77/32/79/954773279.db2.gz HVQGBZXTZKUWHE-GFCCVEGCSA-N -1 0 306.406 3.650 20 0 DHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccccc2C(=O)[O-])c1C ZINC001589463713 954877952 /nfs/dbraw/zinc/87/79/52/954877952.db2.gz GAPKKSSRQUMVBB-JTQLQIEISA-N -1 0 316.361 3.505 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc2ccc(OC)cc2c1 ZINC001589482694 954986163 /nfs/dbraw/zinc/98/61/63/954986163.db2.gz DMFFLVXHEQLWDT-UHFFFAOYSA-N -1 0 316.353 3.645 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589514082 955055131 /nfs/dbraw/zinc/05/51/31/955055131.db2.gz CDBMYSLRZFYYMM-CYBMUJFWSA-N -1 0 304.390 3.715 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589514599 955059518 /nfs/dbraw/zinc/05/95/18/955059518.db2.gz KYMZDCKLXUAQDB-CJNGLKHVSA-N -1 0 321.392 3.674 20 0 DHADRM O=C([O-])/C=C\c1cc(C(=O)OCc2c(F)cccc2Cl)co1 ZINC001594970340 955106350 /nfs/dbraw/zinc/10/63/50/955106350.db2.gz HOAWKUFXWKPRSC-PLNGDYQASA-N -1 0 324.691 3.527 20 0 DHADRM CC[C@H](CNC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001589526316 955120196 /nfs/dbraw/zinc/12/01/96/955120196.db2.gz SAWDABRJVIGDNH-OAHLLOKOSA-N -1 0 317.429 3.504 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001603016540 972071658 /nfs/dbraw/zinc/07/16/58/972071658.db2.gz XXBRWCIJQAWRQL-KRWDZBQOSA-N -1 0 315.413 3.731 20 0 DHADRM CC(C)CCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603021436 972080754 /nfs/dbraw/zinc/08/07/54/972080754.db2.gz HQQWMYGPXSXWFP-HOTGVXAUSA-N -1 0 303.402 3.632 20 0 DHADRM CCCCCC[C@H](C)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000386924889 972091126 /nfs/dbraw/zinc/09/11/26/972091126.db2.gz MZDKMMAPWUGPFT-GJZGRUSLSA-N -1 0 312.454 3.632 20 0 DHADRM O=C([O-])[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000818329089 955394525 /nfs/dbraw/zinc/39/45/25/955394525.db2.gz NARBNFNFIJUPRH-PWSUYJOCSA-N -1 0 314.212 3.649 20 0 DHADRM C[C@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC001589013927 955412104 /nfs/dbraw/zinc/41/21/04/955412104.db2.gz PGOZTJDUOUIOPI-CYBMUJFWSA-N -1 0 320.433 3.646 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001589014253 955417831 /nfs/dbraw/zinc/41/78/31/955417831.db2.gz 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QCRTUDSXZOZUFR-UHFFFAOYSA-N -1 0 324.380 3.641 20 0 DHADRM Cc1cscc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000094882326 958318585 /nfs/dbraw/zinc/31/85/85/958318585.db2.gz QXPAXZKVOBVDIM-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1-n1cccc1 ZINC001594347702 958329646 /nfs/dbraw/zinc/32/96/46/958329646.db2.gz NWJHKENIPNQMSZ-UHFFFAOYSA-N -1 0 320.348 3.736 20 0 DHADRM CCCOc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1OC ZINC000109850725 958380066 /nfs/dbraw/zinc/38/00/66/958380066.db2.gz GNIRHFRLALTSFE-FNORWQNLSA-N -1 0 319.382 3.809 20 0 DHADRM O=C([O-])c1cnc(/C=C/c2ccccc2Br)s1 ZINC000109853017 958380405 /nfs/dbraw/zinc/38/04/05/958380405.db2.gz CSARYXIBJMTNNA-AATRIKPKSA-N -1 0 310.172 3.774 20 0 DHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355433 958411376 /nfs/dbraw/zinc/41/13/76/958411376.db2.gz RSDARJDZFGTFOE-GOEBONIOSA-N -1 0 319.445 3.569 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001594357604 958422095 /nfs/dbraw/zinc/42/20/95/958422095.db2.gz UGKJWRWJYQEOGQ-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339962814 1013177034 /nfs/dbraw/zinc/17/70/34/1013177034.db2.gz PSSUWTKJADEPJU-UHFFFAOYSA-N -1 0 310.806 3.659 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588488416 958634882 /nfs/dbraw/zinc/63/48/82/958634882.db2.gz NEHHRHQCSRQBPM-ZRDIBKRKSA-N -1 0 314.312 3.671 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)NCC3(C(=O)[O-])CCC3)c2)c1 ZINC001594386084 958670372 /nfs/dbraw/zinc/67/03/72/958670372.db2.gz RAPRTQHPJYQTKC-UHFFFAOYSA-N -1 0 323.392 3.647 20 0 DHADRM Cc1ccc2sc(C(=O)Nc3cccnc3C(=O)[O-])cc2c1 ZINC001594386210 958671885 /nfs/dbraw/zinc/67/18/85/958671885.db2.gz PSCBCPNXIYNDCY-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccc2occ(CC(=O)Nc3cccc(CC(=O)[O-])c3)c2c1 ZINC001594386522 958677994 /nfs/dbraw/zinc/67/79/94/958677994.db2.gz WIKYZLNFLAXTGU-UHFFFAOYSA-N -1 0 323.348 3.550 20 0 DHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C(=O)[O-])c1 ZINC001594390260 958705164 /nfs/dbraw/zinc/70/51/64/958705164.db2.gz IDCRDFHYYHGPDG-UKRRQHHQSA-N -1 0 305.418 3.699 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001573395779 958716856 /nfs/dbraw/zinc/71/68/56/958716856.db2.gz OQNADIDCBBXYMP-HZPDHXFCSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-] ZINC001573425569 958788133 /nfs/dbraw/zinc/78/81/33/958788133.db2.gz TWYGSFLQLCUTAD-VIFPVBQESA-N -1 0 319.373 3.695 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594403384 958867975 /nfs/dbraw/zinc/86/79/75/958867975.db2.gz CBVDIYPKOGRRMC-VURMDHGXSA-N -1 0 320.728 3.696 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)OCC2CCCCC2)c2ccccc21 ZINC001605743233 972386408 /nfs/dbraw/zinc/38/64/08/972386408.db2.gz IAHDWOXHPFOSSB-HZPDHXFCSA-N -1 0 317.385 3.606 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001573489983 959011455 /nfs/dbraw/zinc/01/14/55/959011455.db2.gz SYVNAGAFGSTTJY-SNVBAGLBSA-N -1 0 323.698 3.654 20 0 DHADRM C[C@@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccsc1 ZINC001588551030 959017010 /nfs/dbraw/zinc/01/70/10/959017010.db2.gz NIXUIFRPVJKVFP-LLVKDONJSA-N -1 0 315.394 3.529 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@H]1CCCc2ccc(Cl)cc21 ZINC001573490594 959022242 /nfs/dbraw/zinc/02/22/42/959022242.db2.gz YIEBJDMALQVTPB-UONOGXRCSA-N -1 0 310.777 3.617 20 0 DHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594417707 959022464 /nfs/dbraw/zinc/02/24/64/959022464.db2.gz PHTXTLQMBKATLE-ZBFHGGJFSA-N -1 0 319.445 3.569 20 0 DHADRM C[C@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC001588556541 959058454 /nfs/dbraw/zinc/05/84/54/959058454.db2.gz ILSJFQXYUZNNCJ-VIFPVBQESA-N -1 0 323.801 3.520 20 0 DHADRM CC(C)CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001573517788 959113112 /nfs/dbraw/zinc/11/31/12/959113112.db2.gz GUHMNWNMSSKSHK-GOSISDBHSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573518297 959119460 /nfs/dbraw/zinc/11/94/60/959119460.db2.gz VCJIHCKUQJKISG-CLFYSBASSA-N -1 0 307.390 3.522 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001588571351 959185362 /nfs/dbraw/zinc/18/53/62/959185362.db2.gz WTTYUCQJKDWCES-TUKIKUTGSA-N -1 0 323.820 3.593 20 0 DHADRM CSc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001594195239 959191096 /nfs/dbraw/zinc/19/10/96/959191096.db2.gz TVNZLGBMORPSPC-ZDUSSCGKSA-N -1 0 311.403 3.525 20 0 DHADRM CC(C)Oc1cccc([C@H](C)OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001573553937 959245186 /nfs/dbraw/zinc/24/51/86/959245186.db2.gz TXOWNTILMUMQAA-SGTLLEGYSA-N -1 0 320.385 3.579 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573579801 959347879 /nfs/dbraw/zinc/34/78/79/959347879.db2.gz KQJWMMPXHAXYKI-XJKSGUPXSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1nc(C2CCCCC2)cs1)C1CC1 ZINC001588597441 959393515 /nfs/dbraw/zinc/39/35/15/959393515.db2.gz QDVJNHAYUYMOAQ-LLVKDONJSA-N -1 0 308.447 3.628 20 0 DHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC001594234508 959497890 /nfs/dbraw/zinc/49/78/90/959497890.db2.gz NGQDIAABFXBCFI-LBPRGKRZSA-N -1 0 315.369 3.645 20 0 DHADRM Cc1nscc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000190796923 959521792 /nfs/dbraw/zinc/52/17/92/959521792.db2.gz JQXFDIQVALGADE-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)s1 ZINC001594242492 959541670 /nfs/dbraw/zinc/54/16/70/959541670.db2.gz IHITWULERUZMBE-CPFSXVBKSA-N -1 0 302.779 3.507 20 0 DHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191136542 959542383 /nfs/dbraw/zinc/54/23/83/959542383.db2.gz GEDFVUXTLKZLBV-MRXNPFEDSA-N -1 0 319.445 3.747 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CC2CCCCC2)cc1)C(=O)[O-] ZINC000191407494 959560749 /nfs/dbraw/zinc/56/07/49/959560749.db2.gz LFCRPERQFAJUJJ-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000191684553 959591372 /nfs/dbraw/zinc/59/13/72/959591372.db2.gz RYXHTRLSRUGAPR-KRWDZBQOSA-N -1 0 323.392 3.631 20 0 DHADRM CCCCCC[C@H](CC)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192996022 959605294 /nfs/dbraw/zinc/60/52/94/959605294.db2.gz VPCQTAAWAXTWPI-ZDUSSCGKSA-N -1 0 323.437 3.638 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001588631499 959618308 /nfs/dbraw/zinc/61/83/08/959618308.db2.gz LPIYHEZNNZZBPE-CABCVRRESA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001588634692 959641390 /nfs/dbraw/zinc/64/13/90/959641390.db2.gz SBUDTYHVVUSUCM-LBPRGKRZSA-N -1 0 320.776 3.574 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001588634691 959641400 /nfs/dbraw/zinc/64/14/00/959641400.db2.gz SBUDTYHVVUSUCM-GFCCVEGCSA-N -1 0 320.776 3.574 20 0 DHADRM O=C([O-])CCCCCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000208493859 959669669 /nfs/dbraw/zinc/66/96/69/959669669.db2.gz DKYLNNNGCWYLJJ-FLIBITNWSA-N -1 0 309.793 3.505 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCc1csc(C(F)(F)F)c1 ZINC001588639749 959677644 /nfs/dbraw/zinc/67/76/44/959677644.db2.gz DVRILXQQPQIXJJ-SECBINFHSA-N -1 0 324.320 3.557 20 0 DHADRM CC1(C)CCC[C@@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001573667035 959697289 /nfs/dbraw/zinc/69/72/89/959697289.db2.gz CHBWGFRLJWGLCK-GFCCVEGCSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001594268328 959767416 /nfs/dbraw/zinc/76/74/16/959767416.db2.gz RULSLMGBMHKDMT-CYBMUJFWSA-N -1 0 312.369 3.504 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588658072 960421739 /nfs/dbraw/zinc/42/17/39/960421739.db2.gz PGLZHESMRCMCMP-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM COc1ccccc1-c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC001574236692 960432579 /nfs/dbraw/zinc/43/25/79/960432579.db2.gz FNNRMGXTDGAELA-UHFFFAOYSA-N -1 0 313.353 3.556 20 0 DHADRM CSc1cc(C)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574257573 960545351 /nfs/dbraw/zinc/54/53/51/960545351.db2.gz QEDFOWDHGIUWKB-VMPITWQZSA-N -1 0 317.366 3.660 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2c(C)cccc2C(=O)[O-])o1 ZINC001574257940 960550645 /nfs/dbraw/zinc/55/06/45/960550645.db2.gz ZWLLJSJVMHLREU-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CC/C(=C\C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001573757903 960575762 /nfs/dbraw/zinc/57/57/62/960575762.db2.gz DCUIUTYRPWQJHG-JMPLCFMRSA-N -1 0 317.429 3.652 20 0 DHADRM CC[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCC(C)CC1 ZINC001573758185 960581172 /nfs/dbraw/zinc/58/11/72/960581172.db2.gz GOSSCBQECCPMPY-SSHXOBKSSA-N -1 0 309.450 3.695 20 0 DHADRM CCC(CC)(CNC(=O)/C=C\c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001573783565 960716540 /nfs/dbraw/zinc/71/65/40/960716540.db2.gz GIOKOJLENXCQPW-HJWRWDBZSA-N -1 0 317.429 3.632 20 0 DHADRM CCC(CC)(CNC(=O)NC1(C)CCC(C)(C)CC1)C(=O)[O-] ZINC001573783853 960723491 /nfs/dbraw/zinc/72/34/91/960723491.db2.gz IPGHNOVTQZFBMC-UHFFFAOYSA-N -1 0 312.454 3.536 20 0 DHADRM CCCCC[C@H](NC(=O)c1csc2ccccc12)C(=O)[O-] ZINC000236675629 960729765 /nfs/dbraw/zinc/72/97/65/960729765.db2.gz RHPAHODJQBBWKO-ZDUSSCGKSA-N -1 0 305.399 3.665 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC001573785416 960733695 /nfs/dbraw/zinc/73/36/95/960733695.db2.gz UJYVLYGTYZWQJL-UHFFFAOYSA-N -1 0 324.377 3.573 20 0 DHADRM CC(C)(CNC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000236717041 960741636 /nfs/dbraw/zinc/74/16/36/960741636.db2.gz HOIBCNDHGQMQQK-UHFFFAOYSA-N -1 0 303.402 3.575 20 0 DHADRM CCC(CC)(CNc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC001573790405 960747483 /nfs/dbraw/zinc/74/74/83/960747483.db2.gz OCUYTVBWTXRXFT-UHFFFAOYSA-N -1 0 313.357 3.679 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)NCCCCCCC(=O)[O-] ZINC000236748258 960748749 /nfs/dbraw/zinc/74/87/49/960748749.db2.gz LFCFAZQBKCSZTM-UHFFFAOYSA-N -1 0 305.418 3.749 20 0 DHADRM CCC[C@@H](C)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000236849119 960775426 /nfs/dbraw/zinc/77/54/26/960775426.db2.gz SULDRQVJDWQYJL-HUUCEWRRSA-N -1 0 305.418 3.562 20 0 DHADRM CC/C(=C/C(=O)N[C@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236897147 960790978 /nfs/dbraw/zinc/79/09/78/960790978.db2.gz YLUKYHMALXIVTF-DEQJRXDXSA-N -1 0 303.402 3.548 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001574316320 960792831 /nfs/dbraw/zinc/79/28/31/960792831.db2.gz YRKLQTFCVSIKQA-LSDHHAIUSA-N -1 0 303.402 3.638 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001574316317 960793064 /nfs/dbraw/zinc/79/30/64/960793064.db2.gz YRKLQTFCVSIKQA-CABCVRRESA-N -1 0 303.402 3.638 20 0 DHADRM CC[C@H](CC(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236934857 960804731 /nfs/dbraw/zinc/80/47/31/960804731.db2.gz IEISDQJSCIKDHL-KDOFPFPSSA-N -1 0 305.418 3.638 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3ccon3)c2)c1 ZINC001574318334 960807963 /nfs/dbraw/zinc/80/79/63/960807963.db2.gz YFHDBCMMIVWIPU-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1oc(CN(C)C(=O)C(C)(C)C2CCCCC2)cc1C(=O)[O-] ZINC001262176221 960809776 /nfs/dbraw/zinc/80/97/76/960809776.db2.gz FNMKIDSUEGQZHM-UHFFFAOYSA-N -1 0 321.417 3.851 20 0 DHADRM Cc1cc2nc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)oc2c(C)c1 ZINC001574319147 960812173 /nfs/dbraw/zinc/81/21/73/960812173.db2.gz HEYOGIXDHZJCMT-UHFFFAOYSA-N -1 0 324.336 3.704 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C)C(=O)[O-] ZINC001573803789 960835570 /nfs/dbraw/zinc/83/55/70/960835570.db2.gz HDJMVLXOFUEJNT-NWDGAFQWSA-N -1 0 318.417 3.704 20 0 DHADRM CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000237022338 960839848 /nfs/dbraw/zinc/83/98/48/960839848.db2.gz QBTSTUKRYQOTTG-LBPRGKRZSA-N -1 0 309.381 3.626 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000237094881 960869869 /nfs/dbraw/zinc/86/98/69/960869869.db2.gz GJGRJSKZBUTPGB-LJQANCHMSA-N -1 0 319.445 3.676 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573809972 960879602 /nfs/dbraw/zinc/87/96/02/960879602.db2.gz ZURSCTVYEPWCNW-JKSUJKDBSA-N -1 0 319.445 3.651 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001321619270 961000635 /nfs/dbraw/zinc/00/06/35/961000635.db2.gz PAPSAFKDEIPGBF-HUUCEWRRSA-N -1 0 313.328 3.575 20 0 DHADRM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC34CC4)c2C(=O)[O-])C1 ZINC001573830122 961012649 /nfs/dbraw/zinc/01/26/49/961012649.db2.gz NEBDVJCJALNLJL-MWLCHTKSSA-N -1 0 319.426 3.700 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000237966436 961056391 /nfs/dbraw/zinc/05/63/91/961056391.db2.gz ZSJQSJOCPBDPJF-AWEZNQCLSA-N -1 0 311.381 3.557 20 0 DHADRM CCCCC1CCC(NC(=O)NCCCCCC(=O)[O-])CC1 ZINC001573840327 961062356 /nfs/dbraw/zinc/06/23/56/961062356.db2.gz GBQNVBNIAZNDCH-UHFFFAOYSA-N -1 0 312.454 3.680 20 0 DHADRM CCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001573840713 961068784 /nfs/dbraw/zinc/06/87/84/961068784.db2.gz HLOUQCVQQJUJOX-IUCAKERBSA-N -1 0 311.403 3.597 20 0 DHADRM Cc1cccc(F)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001326185144 961072912 /nfs/dbraw/zinc/07/29/12/961072912.db2.gz JWPPSHNUAFGQDI-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c2c1[C@@H](C)CC2=O ZINC001326310269 961079691 /nfs/dbraw/zinc/07/96/91/961079691.db2.gz APDUFHNPPKKWOZ-LBPRGKRZSA-N -1 0 310.349 3.962 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573841354 961080545 /nfs/dbraw/zinc/08/05/45/961080545.db2.gz QQYHNWLBOXWHBW-LLVNNSLESA-N -1 0 319.401 3.714 20 0 DHADRM Cc1ccc(Nc2nnc(S[C@H](C(=O)[O-])C3CC3)s2)cc1 ZINC001574375188 961090665 /nfs/dbraw/zinc/09/06/65/961090665.db2.gz LBKAHBPNQMRDTP-NSHDSACASA-N -1 0 321.427 3.545 20 0 DHADRM Cc1ccc(Nc2nnc(S[C@@H](C(=O)[O-])C3CC3)s2)cc1 ZINC001574375185 961091124 /nfs/dbraw/zinc/09/11/24/961091124.db2.gz LBKAHBPNQMRDTP-LLVKDONJSA-N -1 0 321.427 3.545 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCC[C@@H](C)C1 ZINC001573843268 961096795 /nfs/dbraw/zinc/09/67/95/961096795.db2.gz XGMJEACXWJMLIF-QXSJWSMHSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238120597 961109433 /nfs/dbraw/zinc/10/94/33/961109433.db2.gz NMAZESJDEQHGLO-HUUCEWRRSA-N -1 0 323.820 3.595 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001588734382 961121253 /nfs/dbraw/zinc/12/12/53/961121253.db2.gz MBHWRUXOFCSJGZ-CYBMUJFWSA-N -1 0 307.390 3.549 20 0 DHADRM Cc1ccc2sc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)cc2c1 ZINC001574384909 961130218 /nfs/dbraw/zinc/13/02/18/961130218.db2.gz UCRAANGUYMYDRV-NEPJUHHUSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC001588739407 961149992 /nfs/dbraw/zinc/14/99/92/961149992.db2.gz GCHFEXYDIMLSPZ-KRWDZBQOSA-N -1 0 323.820 3.717 20 0 DHADRM Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)[O-])c1 ZINC001574390649 961173261 /nfs/dbraw/zinc/17/32/61/961173261.db2.gz AIGZLBZYCHXXSA-BFYDXBDKSA-N -1 0 317.429 3.699 20 0 DHADRM CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743936 961225141 /nfs/dbraw/zinc/22/51/41/961225141.db2.gz JPQKKGMLPQLYGW-STQMWFEESA-N -1 0 313.850 3.754 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001588757380 961226157 /nfs/dbraw/zinc/22/61/57/961226157.db2.gz BHCZSSXKNXNNTO-UHFFFAOYSA-N -1 0 318.417 3.649 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC000253350539 961318941 /nfs/dbraw/zinc/31/89/41/961318941.db2.gz SWLGGDARMQUCET-IPYPFGDCSA-N -1 0 303.402 3.715 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000261702357 961387797 /nfs/dbraw/zinc/38/77/97/961387797.db2.gz OJVOQBZHLYQCTO-UHFFFAOYSA-N -1 0 315.394 3.506 20 0 DHADRM Cc1cnccc1N1N=C(Cc2ccccc2)[C@H](C(C)C)C1=O ZINC000634606454 1013254994 /nfs/dbraw/zinc/25/49/94/1013254994.db2.gz SPESZTDOPJPAJZ-SFHVURJKSA-N -1 0 307.397 3.608 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001588808175 961492809 /nfs/dbraw/zinc/49/28/09/961492809.db2.gz MFXYRUSVDQMWRF-JTQLQIEISA-N -1 0 323.698 3.654 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573942874 961621458 /nfs/dbraw/zinc/62/14/58/961621458.db2.gz GFKXKCOKEKCZOS-XHSDSOJGSA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001573960308 961679270 /nfs/dbraw/zinc/67/92/70/961679270.db2.gz BKCURMIMIDLPNM-INIZCTEOSA-N -1 0 312.369 3.505 20 0 DHADRM CCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001573960316 961679767 /nfs/dbraw/zinc/67/97/67/961679767.db2.gz BKCURMIMIDLPNM-MRXNPFEDSA-N -1 0 312.369 3.505 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588833483 961736165 /nfs/dbraw/zinc/73/61/65/961736165.db2.gz BVNBWZWXUMJSGX-INIZCTEOSA-N -1 0 315.344 3.651 20 0 DHADRM CCCc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262510596 961754738 /nfs/dbraw/zinc/75/47/38/961754738.db2.gz OXBWYGDMIIAXSD-UHFFFAOYSA-N -1 0 315.369 3.511 20 0 DHADRM CN(C(=O)NCc1cccc(C(=O)[O-])c1)C1CCCCCCC1 ZINC001573979804 961758116 /nfs/dbraw/zinc/75/81/16/961758116.db2.gz NECYHYUTBGOQHW-UHFFFAOYSA-N -1 0 318.417 3.639 20 0 DHADRM CC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000089985078 1013283994 /nfs/dbraw/zinc/28/39/94/1013283994.db2.gz DPIZUEQZOUHOAE-YWEYNIOJSA-N -1 0 321.320 3.625 20 0 DHADRM CN(C(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1CCC(C(C)(C)C)CC1 ZINC001573980511 961772225 /nfs/dbraw/zinc/77/22/25/961772225.db2.gz WWVMMEBVCGEMFI-PWGQDJSOSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001588842265 961816741 /nfs/dbraw/zinc/81/67/41/961816741.db2.gz XEHXAXXTFVYVIN-QWHCGFSZSA-N -1 0 304.390 3.721 20 0 DHADRM Cc1cccc2cc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])oc21 ZINC000262722161 961826579 /nfs/dbraw/zinc/82/65/79/961826579.db2.gz FITDPWGNLRSAQT-UGSOOPFHSA-N -1 0 315.369 3.505 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262768762 961858246 /nfs/dbraw/zinc/85/82/46/961858246.db2.gz AELQEJZFWYOMLT-OAHLLOKOSA-N -1 0 317.429 3.549 20 0 DHADRM CC[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262777698 961861820 /nfs/dbraw/zinc/86/18/20/961861820.db2.gz LXAICHNKEFMTNP-OGWOLHLISA-N -1 0 317.429 3.720 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262795548 961868692 /nfs/dbraw/zinc/86/86/92/961868692.db2.gz ABVFZRWEAZZOKK-GHMZBOCLSA-N -1 0 311.328 3.628 20 0 DHADRM CC(C)c1sc(NC(=O)CC(C2CC2)C2CC2)nc1C(=O)[O-] ZINC001335014917 961885288 /nfs/dbraw/zinc/88/52/88/961885288.db2.gz DMUCPVGIGDEIIT-UHFFFAOYSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000262832378 961897989 /nfs/dbraw/zinc/89/79/89/961897989.db2.gz FYKLGDFSZAMYBB-KCCJJVRFSA-N -1 0 315.413 3.583 20 0 DHADRM CC[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(F)(F)F ZINC000402714766 1013295185 /nfs/dbraw/zinc/29/51/85/1013295185.db2.gz FXUMUNXQJYBGJE-QMMMGPOBSA-N -1 0 320.267 3.684 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)NCCCCCC(=O)[O-])cc1 ZINC000262840106 961905395 /nfs/dbraw/zinc/90/53/95/961905395.db2.gz ZPLKORKWJHYIHW-VOTSOKGWSA-N -1 0 317.429 3.975 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262886805 961961529 /nfs/dbraw/zinc/96/15/29/961961529.db2.gz GHULURABRCCEPP-SHTZXODSSA-N -1 0 303.402 3.664 20 0 DHADRM O=C([O-])C1CCC(NC(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC001574558128 962000401 /nfs/dbraw/zinc/00/04/01/962000401.db2.gz OJEWGWUVGDGCEH-UHFFFAOYSA-N -1 0 313.397 3.627 20 0 DHADRM CC(C)(C)c1nc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001339116500 962002282 /nfs/dbraw/zinc/00/22/82/962002282.db2.gz DGZPZTUGFMWJBD-QGZVFWFLSA-N -1 0 318.442 3.530 20 0 DHADRM CC(C)CCC1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001588867390 962021740 /nfs/dbraw/zinc/02/17/40/962021740.db2.gz GBORHMJNGOYOIU-SOFGYWHQSA-N -1 0 319.401 3.666 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588867577 962027360 /nfs/dbraw/zinc/02/73/60/962027360.db2.gz UHUONLLAKOYLEG-BBRMVZONSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)CCCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588867570 962027386 /nfs/dbraw/zinc/02/73/86/962027386.db2.gz TUQTUSUXTCGVCX-GOSISDBHSA-N -1 0 305.418 3.709 20 0 DHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)C1(C(=O)[O-])CCC1 ZINC001588870214 962049220 /nfs/dbraw/zinc/04/92/20/962049220.db2.gz AUMRJLNECMIJDN-UHFFFAOYSA-N -1 0 323.820 3.580 20 0 DHADRM COCc1cc(NC(=O)C(C)(C)C2CCCC2)cc(C(=O)[O-])c1 ZINC000263033550 962150442 /nfs/dbraw/zinc/15/04/42/962150442.db2.gz CSCDCRIUFCYQAY-UHFFFAOYSA-N -1 0 319.401 3.686 20 0 DHADRM CCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000263039967 962162029 /nfs/dbraw/zinc/16/20/29/962162029.db2.gz LQCDWRZLSXBKMV-UHFFFAOYSA-N -1 0 324.808 3.667 20 0 DHADRM Cc1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000263113368 962265187 /nfs/dbraw/zinc/26/51/87/962265187.db2.gz JWLAZUQIBZTMJS-KRWDZBQOSA-N -1 0 309.365 3.826 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc(C)c1F ZINC000519492442 1013331142 /nfs/dbraw/zinc/33/11/42/1013331142.db2.gz JZCFIMFGVZSGAM-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001588906237 962277946 /nfs/dbraw/zinc/27/79/46/962277946.db2.gz SESOUDSRZCPZNW-AWEZNQCLSA-N -1 0 317.429 3.502 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000263165890 962318367 /nfs/dbraw/zinc/31/83/67/962318367.db2.gz FJVDHQNHZQGFPW-CYBMUJFWSA-N -1 0 309.365 3.545 20 0 DHADRM CC(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588912847 962330973 /nfs/dbraw/zinc/33/09/73/962330973.db2.gz UYAUGUBQLSEKBT-FPLPWBNLSA-N -1 0 317.316 3.572 20 0 DHADRM CCCCSCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263181609 962336870 /nfs/dbraw/zinc/33/68/70/962336870.db2.gz HIAKTNQWEBTCGK-GFCCVEGCSA-N -1 0 309.431 3.737 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263196548 962351279 /nfs/dbraw/zinc/35/12/79/962351279.db2.gz JFXYXWHXNBIJQE-ZIAGYGMSSA-N -1 0 321.417 3.655 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000263196792 962351371 /nfs/dbraw/zinc/35/13/71/962351371.db2.gz UHJTWQWDGSMRBC-NOLJZWGESA-N -1 0 321.392 3.674 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000263201022 962357568 /nfs/dbraw/zinc/35/75/68/962357568.db2.gz JYKYCCCCDPYZQW-ZDUSSCGKSA-N -1 0 323.392 3.545 20 0 DHADRM C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575918 1013338424 /nfs/dbraw/zinc/33/84/24/1013338424.db2.gz LZMQKWMJXIDSMN-APIJFGDWSA-N -1 0 323.477 3.845 20 0 DHADRM C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575920 1013338459 /nfs/dbraw/zinc/33/84/59/1013338459.db2.gz LZMQKWMJXIDSMN-LJISPDSOSA-N -1 0 323.477 3.845 20 0 DHADRM CCc1ccccc1CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263321842 962462662 /nfs/dbraw/zinc/46/26/62/962462662.db2.gz NTRCDZGZKXIOGC-CYBMUJFWSA-N -1 0 311.381 3.618 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])o2)c1 ZINC000263321307 962463323 /nfs/dbraw/zinc/46/33/23/962463323.db2.gz RMCURKUBYQANNW-GFCCVEGCSA-N -1 0 315.369 3.615 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000263346797 962499841 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C[C@H](CCC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000263506935 962689814 /nfs/dbraw/zinc/68/98/14/962689814.db2.gz BJKJXVDNHLPAAI-CQSZACIVSA-N -1 0 311.381 3.836 20 0 DHADRM CCCC[C@@H](C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263527526 962707964 /nfs/dbraw/zinc/70/79/64/962707964.db2.gz KSDDTTSEJFTKRP-OAHLLOKOSA-N -1 0 305.418 3.706 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC(C)(C)C(F)(F)F ZINC000263546426 962722121 /nfs/dbraw/zinc/72/21/21/962722121.db2.gz UIRKFHDPUKHFAS-UHFFFAOYSA-N -1 0 317.307 3.919 20 0 DHADRM CC(C)c1cc(NC2CCC(C(=O)[O-])CC2)nc(C(C)C)n1 ZINC000263558666 962728117 /nfs/dbraw/zinc/72/81/17/962728117.db2.gz PUFAHTZNNHBTAJ-UHFFFAOYSA-N -1 0 305.422 3.779 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000263571252 962735058 /nfs/dbraw/zinc/73/50/58/962735058.db2.gz JDRFUVNRSOECRB-INIZCTEOSA-N -1 0 309.450 3.983 20 0 DHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000263574814 962738961 /nfs/dbraw/zinc/73/89/61/962738961.db2.gz 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1019136425 /nfs/dbraw/zinc/13/64/25/1019136425.db2.gz XIFIRTSZBYQFIE-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000328780936 1013797853 /nfs/dbraw/zinc/79/78/53/1013797853.db2.gz MRXBHSFOUNJPJM-SECBINFHSA-N -1 0 316.854 3.791 20 0 DHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)CCCCC(=O)[O-])c1 ZINC000630339085 968534712 /nfs/dbraw/zinc/53/47/12/968534712.db2.gz AEZBTLXMDZCVDN-IBGZPJMESA-N -1 0 317.429 3.564 20 0 DHADRM CCC(CC)CCCN(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000659229326 968729606 /nfs/dbraw/zinc/72/96/06/968729606.db2.gz WHBOJRBFANXCHA-UHFFFAOYSA-N -1 0 305.418 3.602 20 0 DHADRM Cc1oc(-c2cccs2)nc1CN(CC(=O)[O-])CC(C)(C)C ZINC000662227681 968758715 /nfs/dbraw/zinc/75/87/15/968758715.db2.gz PDDJLNADWILKGW-UHFFFAOYSA-N -1 0 322.430 3.644 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000330852801 1013844497 /nfs/dbraw/zinc/84/44/97/1013844497.db2.gz GCVDHYWXWQLFHC-MRVPVSSYSA-N -1 0 318.200 3.700 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c(Cl)c1 ZINC000331076723 1013854220 /nfs/dbraw/zinc/85/42/20/1013854220.db2.gz VPMFAKGBPDLLSB-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)no1 ZINC000331076614 1013855003 /nfs/dbraw/zinc/85/50/03/1013855003.db2.gz VKTHPSITSRNQFP-UHFFFAOYSA-N -1 0 308.403 3.722 20 0 DHADRM CCCOc1ccc(Cl)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078880937 1013868676 /nfs/dbraw/zinc/86/86/76/1013868676.db2.gz CAXKUAOLOMTDBA-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)C1CCCCCCC1 ZINC000901745432 969470129 /nfs/dbraw/zinc/47/01/29/969470129.db2.gz XXGMCCORFDBXKA-MDZDMXLPSA-N -1 0 305.374 3.562 20 0 DHADRM CCCCN(C(=O)NC[C@H](CC)C(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC001341448217 969753166 /nfs/dbraw/zinc/75/31/66/969753166.db2.gz DLMBCGWACYXONZ-KGLIPLIRSA-N -1 0 324.421 3.572 20 0 DHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(Cl)c2)cc1C ZINC000081906716 1013945107 /nfs/dbraw/zinc/94/51/07/1013945107.db2.gz JVQRITMGOCCPJR-UHFFFAOYSA-N -1 0 322.813 3.613 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000319134388 970505574 /nfs/dbraw/zinc/50/55/74/970505574.db2.gz PHSYIWSRRRWATD-HUUCEWRRSA-N -1 0 312.454 3.632 20 0 DHADRM CC(C)c1cccc(O[C@H](C)c2nc([C@@H](C)C(=O)[O-])no2)c1 ZINC001609849336 970552041 /nfs/dbraw/zinc/55/20/41/970552041.db2.gz YGPOBRXGIFKPKK-GHMZBOCLSA-N -1 0 304.346 3.521 20 0 DHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000319815679 970575602 /nfs/dbraw/zinc/57/56/02/970575602.db2.gz LGWZSRLLMMTEPZ-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM C[C@H](SCCC(=O)[O-])c1nnc(-c2ccccc2F)s1 ZINC001610003301 970636434 /nfs/dbraw/zinc/63/64/34/970636434.db2.gz ICWUUTWBAAGNAO-QMMMGPOBSA-N -1 0 312.391 3.613 20 0 DHADRM CCOc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000321065680 970739696 /nfs/dbraw/zinc/73/96/96/970739696.db2.gz GTTHESAEHHNIRI-UHFFFAOYSA-N -1 0 318.304 3.567 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001604971299 972560691 /nfs/dbraw/zinc/56/06/91/972560691.db2.gz QVEUVZXWLMVWAB-MGPLVRAMSA-N -1 0 308.399 3.514 20 0 DHADRM CSc1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC001604971879 972566667 /nfs/dbraw/zinc/56/66/67/972566667.db2.gz XJXXLFRGAKEXPR-CLFYSBASSA-N -1 0 317.366 3.660 20 0 DHADRM CN(CCCc1ccccc1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604174840 972589977 /nfs/dbraw/zinc/58/99/77/972589977.db2.gz DCUSRUBIJWVEOW-UHFFFAOYSA-N -1 0 317.429 3.503 20 0 DHADRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cccc(Cl)c1F ZINC001604998501 972590256 /nfs/dbraw/zinc/59/02/56/972590256.db2.gz BFNDBWUXEXAARN-SECBINFHSA-N -1 0 314.740 3.728 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001604999059 972596282 /nfs/dbraw/zinc/59/62/82/972596282.db2.gz GFBHXYUYQWJJPK-CXAGYDPISA-N -1 0 313.397 3.722 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC001605863521 972619867 /nfs/dbraw/zinc/61/98/67/972619867.db2.gz VJCIPUQENHYIHA-QGZVFWFLSA-N -1 0 324.380 3.528 20 0 DHADRM C[C@@]1(CN2CC[C@@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001603339576 972723715 /nfs/dbraw/zinc/72/37/15/972723715.db2.gz GLVOHXQPQAEFIM-RISCZKNCSA-N -1 0 314.212 3.649 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC001605132438 972797866 /nfs/dbraw/zinc/79/78/66/972797866.db2.gz MXZDKAQWVPAVHX-GOSISDBHSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCC2(c3ccccc3)CC2)c1 ZINC001605138952 972806191 /nfs/dbraw/zinc/80/61/91/972806191.db2.gz ZLTWMTQLBHWYRJ-UHFFFAOYSA-N -1 0 323.392 3.545 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C=C2CCC(C(C)(C)C)CC2)C1 ZINC001603360028 972820059 /nfs/dbraw/zinc/82/00/59/972820059.db2.gz IOZWPEIWEFBRBB-JFXOEICMSA-N -1 0 321.461 3.718 20 0 DHADRM Cc1cc(C)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC001605153080 972843095 /nfs/dbraw/zinc/84/30/95/972843095.db2.gz UTKWBUGFABRNIL-VXGBXAGGSA-N -1 0 324.808 3.674 20 0 DHADRM Cc1cc(Cl)c(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1C ZINC001605171340 972873735 /nfs/dbraw/zinc/87/37/35/972873735.db2.gz XBNZJYYPSLRROR-UHFFFAOYSA-N -1 0 311.809 3.530 20 0 DHADRM O=C([O-])C1(CCSc2nc3cc(F)c(F)cc3[nH]2)CCC1 ZINC001605951563 972915981 /nfs/dbraw/zinc/91/59/81/972915981.db2.gz XKLNBZQFXUPSMM-UHFFFAOYSA-N -1 0 312.341 3.578 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@H]1C ZINC001603380733 972951614 /nfs/dbraw/zinc/95/16/14/972951614.db2.gz JDLIKUKEPSGIJH-VNHYZAJKSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1cc(OC(=O)c2coc(/C=C\C(=O)[O-])c2)ccc1Cl ZINC001605216703 972962724 /nfs/dbraw/zinc/96/27/24/972962724.db2.gz NMQSIDKJPNTLDT-HYXAFXHYSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1Cl ZINC001605294204 973105151 /nfs/dbraw/zinc/10/51/51/973105151.db2.gz QXUNINOISHLQLD-PLNGDYQASA-N -1 0 305.717 3.592 20 0 DHADRM COc1ccc(CO)c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210929192 1014091493 /nfs/dbraw/zinc/09/14/93/1014091493.db2.gz VDBWVMABVRBUFU-UHFFFAOYSA-N -1 0 314.168 3.944 20 0 DHADRM Cc1ccc(N)c2nn(-c3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC001210928127 1014089728 /nfs/dbraw/zinc/08/97/28/1014089728.db2.gz VYQVWCAGYTWAQR-UHFFFAOYSA-N -1 0 308.168 3.929 20 0 DHADRM COCCn1ncc(C)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210928032 1014089921 /nfs/dbraw/zinc/08/99/21/1014089921.db2.gz XULHWBQQFDTBIY-UHFFFAOYSA-N -1 0 316.188 3.594 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(Oc2ncccn2)cc1 ZINC001210967761 1014098370 /nfs/dbraw/zinc/09/83/70/1014098370.db2.gz WLWCROVYGMAXKT-UHFFFAOYSA-N -1 0 307.309 3.711 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000400412116 973274867 /nfs/dbraw/zinc/27/48/67/973274867.db2.gz YROKVFFUQZGLDU-GZMMTYOYSA-N -1 0 318.200 3.613 20 0 DHADRM COc1cc(Nc2ccccc2C(=O)[O-])c(Cl)c(OC)c1 ZINC001210969482 1014098922 /nfs/dbraw/zinc/09/89/22/1014098922.db2.gz SADGYWAWPKVISS-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM CO[C@H](C)c1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001604471949 973353519 /nfs/dbraw/zinc/35/35/19/973353519.db2.gz KLOPQHIVDKQJFS-GFCCVEGCSA-N 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CC(C)(C(=O)[O-])c1ccc(NCc2scnc2C2CC2)cc1 ZINC000417620575 973965278 /nfs/dbraw/zinc/96/52/78/973965278.db2.gz DBTZBPCHNIHGDG-UHFFFAOYSA-N -1 0 316.426 3.995 20 0 DHADRM CCCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC001603639834 973978315 /nfs/dbraw/zinc/97/83/15/973978315.db2.gz CTNOWWZWJSKRCV-CABCVRRESA-N -1 0 309.381 3.530 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603640489 973983048 /nfs/dbraw/zinc/98/30/48/973983048.db2.gz DHPOWOFGUOXLOD-LBPRGKRZSA-N -1 0 317.389 3.578 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)c1 ZINC001606508576 973999556 /nfs/dbraw/zinc/99/95/56/973999556.db2.gz RGWOELFWKUBMKR-UHFFFAOYSA-N -1 0 321.376 3.615 20 0 DHADRM CC(C)(CCNC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC000424384361 974023544 /nfs/dbraw/zinc/02/35/44/974023544.db2.gz DXILCKVANCSRES-UHFFFAOYSA-N -1 0 304.390 3.577 20 0 DHADRM CCCc1ccccc1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603692656 974088732 /nfs/dbraw/zinc/08/87/32/974088732.db2.gz GEJFGFJJDZSAGS-CMDGGOBGSA-N 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C[C@@H]1CCCC[C@H]1CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000539576727 974396772 /nfs/dbraw/zinc/39/67/72/974396772.db2.gz SHAKNEVVKOOJBZ-IVMMDQJWSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1cccc([C@H](C)C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000540777468 974409346 /nfs/dbraw/zinc/40/93/46/974409346.db2.gz SLSNUQDZAFGZNY-HNNXBMFYSA-N -1 0 317.429 3.640 20 0 DHADRM O=C([O-])c1ccccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000563279323 974524556 /nfs/dbraw/zinc/52/45/56/974524556.db2.gz ZOHGDVMCYUYCMS-QGZVFWFLSA-N -1 0 313.422 3.675 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2cnc(C3CC3)s2)C(=O)[O-])c1 ZINC000563567245 974536260 /nfs/dbraw/zinc/53/62/60/974536260.db2.gz CSUZIMXGEHGQTJ-HNNXBMFYSA-N -1 0 316.426 3.553 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000565102456 974569515 /nfs/dbraw/zinc/56/95/15/974569515.db2.gz IMBKYHBKBUEFJE-LLVKDONJSA-N -1 0 323.776 3.703 20 0 DHADRM CC[N@H+](CCOc1ccccc1C)Cc1ccsc1C(=O)[O-] ZINC000565727081 974588116 /nfs/dbraw/zinc/58/81/16/974588116.db2.gz 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CC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(Cl)cc1 ZINC000659117957 975713601 /nfs/dbraw/zinc/71/36/01/975713601.db2.gz AKVHNGXMNJOHKF-CYBMUJFWSA-N -1 0 321.760 3.821 20 0 DHADRM CC[C@@](C)(NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000659126557 975725668 /nfs/dbraw/zinc/72/56/68/975725668.db2.gz VRGBDLYBCDUPNV-CQSZACIVSA-N -1 0 311.790 3.538 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C1CC2(C1)CCCCC2 ZINC000659128554 975726963 /nfs/dbraw/zinc/72/69/63/975726963.db2.gz UNINSKIBTUMICN-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000659136768 975737115 /nfs/dbraw/zinc/73/71/15/975737115.db2.gz OVIBJWIJBWVDOZ-UHFFFAOYSA-N -1 0 315.413 3.859 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659146401 975746686 /nfs/dbraw/zinc/74/66/86/975746686.db2.gz SAQSFDKGEQUBJD-JTQLQIEISA-N -1 0 317.341 3.716 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659157650 975756801 /nfs/dbraw/zinc/75/68/01/975756801.db2.gz 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CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@@H]1CC1(Cl)Cl ZINC001591771801 975899226 /nfs/dbraw/zinc/89/92/26/975899226.db2.gz IMYMIHCUFZVIMH-JTQLQIEISA-N -1 0 318.200 3.778 20 0 DHADRM CC(C)Oc1ccc(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)c(Cl)c1 ZINC001591788337 975971397 /nfs/dbraw/zinc/97/13/97/975971397.db2.gz BYBIBICJVCPVFU-SKDRFNHKSA-N -1 0 319.735 3.505 20 0 DHADRM Cc1cccc2cc(C(=O)N(CCC(=O)[O-])CC(C)C)sc21 ZINC000668269727 975977782 /nfs/dbraw/zinc/97/77/82/975977782.db2.gz SEEHLIMZYIWXPT-UHFFFAOYSA-N -1 0 319.426 3.783 20 0 DHADRM Cc1cccc2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])sc21 ZINC000668281822 975984345 /nfs/dbraw/zinc/98/43/45/975984345.db2.gz CXRFYOXWZMHLDR-ZDUSSCGKSA-N -1 0 317.410 3.679 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1 ZINC000668293308 975988950 /nfs/dbraw/zinc/98/89/50/975988950.db2.gz XWDZCYJLGIKHCL-ZDUSSCGKSA-N -1 0 323.392 3.933 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N(C)C1CC(C)(C)C1)C(=O)[O-] ZINC000668322007 975997306 /nfs/dbraw/zinc/99/73/06/975997306.db2.gz GSJQMVUZRZWGEA-NSHDSACASA-N -1 0 321.442 3.512 20 0 DHADRM CC(C)Oc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001591796215 976007562 /nfs/dbraw/zinc/00/75/62/976007562.db2.gz FWJMENIPHAUKIX-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM O=C([O-])CN(C(=O)CCc1ccc(Cl)cc1)C1CCCCC1 ZINC000675993083 976024622 /nfs/dbraw/zinc/02/46/22/976024622.db2.gz XNLVELVNACRRJA-UHFFFAOYSA-N -1 0 323.820 3.519 20 0 DHADRM C[C@H]1CCCC[C@@H]1CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000678974162 976032619 /nfs/dbraw/zinc/03/26/19/976032619.db2.gz URIAWFYOCHSFNS-DOTOQJQBSA-N -1 0 317.429 3.706 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC001591907512 976311495 /nfs/dbraw/zinc/31/14/95/976311495.db2.gz RKSVHZYYLYBTBT-DJIMGWMZSA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)c1[nH]c(CN2CCc3c(F)cccc3C2)cc1C(=O)[O-] ZINC001591912116 976334888 /nfs/dbraw/zinc/33/48/88/976334888.db2.gz CYKRSOQUXMJVNB-UHFFFAOYSA-N -1 0 316.376 3.534 20 0 DHADRM CC(C)c1[nH]c(CN2CCc3cc(F)ccc3C2)cc1C(=O)[O-] ZINC001591912764 976350650 /nfs/dbraw/zinc/35/06/50/976350650.db2.gz RPLIHKFBPDEBBP-UHFFFAOYSA-N -1 0 316.376 3.534 20 0 DHADRM CC(C)c1[nH]c(CNc2ccccc2OCCF)cc1C(=O)[O-] ZINC001591918193 976381288 /nfs/dbraw/zinc/38/12/88/976381288.db2.gz LMNIFQLWJHDPNW-UHFFFAOYSA-N -1 0 320.364 3.797 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)c(C(=O)[O-])c1 ZINC001591962474 976547903 /nfs/dbraw/zinc/54/79/03/976547903.db2.gz KMPFAJAADWKIEL-SNVBAGLBSA-N -1 0 316.184 3.641 20 0 DHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC001591981604 976597335 /nfs/dbraw/zinc/59/73/35/976597335.db2.gz SHBYJBYQQLFMKG-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001591994966 976637494 /nfs/dbraw/zinc/63/74/94/976637494.db2.gz QEFYSVLFQVDTKB-LUAWRHEFSA-N -1 0 313.353 3.777 20 0 DHADRM CC(C)c1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001592002659 976652791 /nfs/dbraw/zinc/65/27/91/976652791.db2.gz BFEITQYUIWOOJM-NSHDSACASA-N -1 0 310.396 3.916 20 0 DHADRM CC(C)c1ccoc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592002804 976655684 /nfs/dbraw/zinc/65/56/84/976655684.db2.gz IJGYTHOZHHRLNF-ZDUSSCGKSA-N -1 0 306.289 3.525 20 0 DHADRM CC(C)c1ccoc1-c1noc(-c2ccc(C(=O)[O-])cc2F)n1 ZINC001592003716 976665507 /nfs/dbraw/zinc/66/55/07/976665507.db2.gz GXMUMSOAJWPFBC-UHFFFAOYSA-N -1 0 316.288 3.957 20 0 DHADRM CC(C)c1csc(SCC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001592008707 976680245 /nfs/dbraw/zinc/68/02/45/976680245.db2.gz SOADVMCPDAJZAM-UHFFFAOYSA-N -1 0 321.423 3.940 20 0 DHADRM CC(C)c1nc(NC(=O)C2CC(C(C)(C)C)C2)sc1C(=O)[O-] ZINC001592021728 976716126 /nfs/dbraw/zinc/71/61/26/976716126.db2.gz HGRFYOFWMBOMQJ-UHFFFAOYSA-N -1 0 324.446 3.976 20 0 DHADRM CC(C)c1nc(NC(=O)c2ccc(CF)cc2)sc1C(=O)[O-] ZINC001592028695 976729801 /nfs/dbraw/zinc/72/98/01/976729801.db2.gz PTPWQGNXEJICFQ-UHFFFAOYSA-N -1 0 322.361 3.687 20 0 DHADRM CC(C)c1occc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001592102859 976875277 /nfs/dbraw/zinc/87/52/77/976875277.db2.gz XGAGBZLSERRGSO-UHFFFAOYSA-N -1 0 309.268 3.632 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)nc1C(=O)[O-] ZINC001592108171 976890818 /nfs/dbraw/zinc/89/08/18/976890818.db2.gz LTCZPZCQCHINGH-BJOHPYRUSA-N -1 0 310.419 3.585 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)nc1C(=O)[O-] ZINC001592111673 976902068 /nfs/dbraw/zinc/90/20/68/976902068.db2.gz JTPVWJUSPRETAG-MNOVXSKESA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001592116965 976919078 /nfs/dbraw/zinc/91/90/78/976919078.db2.gz LBAHKKIMCJNDGL-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592178637 977085540 /nfs/dbraw/zinc/08/55/40/977085540.db2.gz QQGJMAKMCULVAE-LLVKDONJSA-N -1 0 312.369 3.800 20 0 DHADRM C[C@H](C1CCCCC1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001592181986 977114337 /nfs/dbraw/zinc/11/43/37/977114337.db2.gz USAULYGJMLOBHY-MRVPVSSYSA-N -1 0 302.827 3.900 20 0 DHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1csc(C2CCCCC2)c1 ZINC001592218712 977386017 /nfs/dbraw/zinc/38/60/17/977386017.db2.gz QKSFONRKUSLOEL-TVRMLOFPSA-N -1 0 307.415 3.555 20 0 DHADRM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C ZINC001592247059 977477410 /nfs/dbraw/zinc/47/74/10/977477410.db2.gz ZCMOSECBEGOUAO-UGSOOPFHSA-N -1 0 311.466 3.989 20 0 DHADRM O=C([O-])c1csc(NC(=O)CCc2cc3ccccc3o2)c1 ZINC000580870538 1014412901 /nfs/dbraw/zinc/41/29/01/1014412901.db2.gz XARLBGUVPXQKTQ-UHFFFAOYSA-N -1 0 315.350 3.764 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001592344283 977798957 /nfs/dbraw/zinc/79/89/57/977798957.db2.gz BJILLLPUNSMJIH-BBRMVZONSA-N -1 0 303.402 3.535 20 0 DHADRM CCCCn1ncc(NC(=O)c2cccc(CC)c2O)c1C ZINC000127327190 1014430453 /nfs/dbraw/zinc/43/04/53/1014430453.db2.gz URIJNRLOGSNRBW-UHFFFAOYSA-N -1 0 301.390 3.512 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001592361885 977851773 /nfs/dbraw/zinc/85/17/73/977851773.db2.gz IUKTYVBAIMHJCI-LLVKDONJSA-N -1 0 317.316 3.667 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001592367060 977869431 /nfs/dbraw/zinc/86/94/31/977869431.db2.gz IKABXVYSBILYIT-HQJQHLMTSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001592371222 977891529 /nfs/dbraw/zinc/89/15/29/977891529.db2.gz PUMWQOCIEVZXBL-RDTXWAMCSA-N -1 0 315.413 3.631 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC001592371295 977892653 /nfs/dbraw/zinc/89/26/53/977892653.db2.gz QYTFSSSTOFYUEI-GFCCVEGCSA-N -1 0 307.365 3.602 20 0 DHADRM C[C@H](CC(=O)[O-])Cc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC001592405640 977976188 /nfs/dbraw/zinc/97/61/88/977976188.db2.gz BDNKSVVPLJNXON-UWVGGRQHSA-N -1 0 320.414 3.576 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000909447455 1014444804 /nfs/dbraw/zinc/44/48/04/1014444804.db2.gz HMNWDOOMWYHSGO-AWEZNQCLSA-N -1 0 311.381 3.645 20 0 DHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC001592423193 978039481 /nfs/dbraw/zinc/03/94/81/978039481.db2.gz BHDQYRWIVCMSLR-CPCISQLKSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001592424897 978048610 /nfs/dbraw/zinc/04/86/10/978048610.db2.gz ZHWQBRTVUQHIEG-ZUZCIYMTSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@@H](CC(=O)O[C@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC001592428564 978051152 /nfs/dbraw/zinc/05/11/52/978051152.db2.gz FDLRPHRDJCDBKE-XJKSGUPXSA-N -1 0 319.401 3.542 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H](c1nccs1)C(F)(F)F ZINC001592443711 978098573 /nfs/dbraw/zinc/09/85/73/978098573.db2.gz CQCNIYDNCQTINS-PSASIEDQSA-N -1 0 324.368 3.616 20 0 DHADRM C[C@@H](CC1CCC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592459492 978178765 /nfs/dbraw/zinc/17/87/65/978178765.db2.gz MHERGIOUCCPEGY-KNXALSJPSA-N -1 0 316.401 3.575 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592465683 978207596 /nfs/dbraw/zinc/20/75/96/978207596.db2.gz JHXFDJCSYKBQOW-NSHDSACASA-N -1 0 308.349 3.575 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592465987 978210084 /nfs/dbraw/zinc/21/00/84/978210084.db2.gz RATRHVXSIYTQMU-XJKSGUPXSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001592465943 978210551 /nfs/dbraw/zinc/21/05/51/978210551.db2.gz PWLYCMBYGGOHHZ-LLVKDONJSA-N -1 0 324.446 3.705 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592466527 978212207 /nfs/dbraw/zinc/21/22/07/978212207.db2.gz XKCVQJCGUABWSG-AWEZNQCLSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@@H](OC(=O)CC[C@H](C)c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001592470430 978221493 /nfs/dbraw/zinc/22/14/93/978221493.db2.gz KSTVTZAGYREZDR-NWDGAFQWSA-N -1 0 317.341 3.561 20 0 DHADRM O=C(Nc1ccc(Cl)cc1O)c1ccc(Br)o1 ZINC000153427486 1014469557 /nfs/dbraw/zinc/46/95/57/1014469557.db2.gz QBXOZLRKDAXRRU-UHFFFAOYSA-N -1 0 316.538 3.653 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001592476918 978238003 /nfs/dbraw/zinc/23/80/03/978238003.db2.gz CGAPCHKVLOGJRJ-RYUDHWBXSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592478116 978248844 /nfs/dbraw/zinc/24/88/44/978248844.db2.gz RNXWPYQXYIOUFX-LXKVQUBZSA-N -1 0 319.401 3.856 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001592478256 978250620 /nfs/dbraw/zinc/25/06/20/978250620.db2.gz RZEGVERVTHBOJY-JSGCOSHPSA-N -1 0 303.402 3.664 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001592478557 978252194 /nfs/dbraw/zinc/25/21/94/978252194.db2.gz SXTYAYQOVKASJY-ZBFHGGJFSA-N -1 0 319.445 3.651 20 0 DHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592478525 978252201 /nfs/dbraw/zinc/25/22/01/978252201.db2.gz WNQSPYDDDPPGGS-SSDOTTSWSA-N -1 0 324.324 3.689 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592492497 978287717 /nfs/dbraw/zinc/28/77/17/978287717.db2.gz UVVNHOAIHGIOBV-ZBFHGGJFSA-N -1 0 319.445 3.651 20 0 DHADRM C/C(=C\C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1Cl ZINC000736121266 978304317 /nfs/dbraw/zinc/30/43/17/978304317.db2.gz LIJZHJFDNCGCKU-CSKARUKUSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@H](CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1CC1)C(=O)[O-] ZINC001592557807 978447950 /nfs/dbraw/zinc/44/79/50/978447950.db2.gz RBNZBMQVQFFJSG-WLYUNCDWSA-N -1 0 323.477 3.941 20 0 DHADRM Cc1cc(NC(=S)Nc2ccc(F)cc2)sc1C(=O)[O-] ZINC000738451723 978540293 /nfs/dbraw/zinc/54/02/93/978540293.db2.gz CIFGVSPJABQIQN-UHFFFAOYSA-N -1 0 310.375 3.703 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)Cc1c(F)cccc1F)C(=O)[O-] ZINC001592604686 978546190 /nfs/dbraw/zinc/54/61/90/978546190.db2.gz LURKSISMQGORRF-ZDUSSCGKSA-N -1 0 319.351 3.688 20 0 DHADRM C[C@H](CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)CC(C)(C)C ZINC001592610202 978560725 /nfs/dbraw/zinc/56/07/25/978560725.db2.gz FXMCCDRKAXHMIC-XHDPSFHLSA-N -1 0 309.381 3.550 20 0 DHADRM CC(C)Sc1ccc([C@H](C)NC(=O)CCCC(=O)[O-])cc1 ZINC000753976642 978696059 /nfs/dbraw/zinc/69/60/59/978696059.db2.gz PWGCQAWGFRCCJZ-LBPRGKRZSA-N -1 0 309.431 3.619 20 0 DHADRM CCCC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)[O-] ZINC000761997992 978717640 /nfs/dbraw/zinc/71/76/40/978717640.db2.gz FEODVYKAEKWUIM-CFRMROPGSA-N -1 0 309.793 3.503 20 0 DHADRM CCCC[C@@H](NC(=O)/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000761998434 978717649 /nfs/dbraw/zinc/71/76/49/978717649.db2.gz PZFFBOLBMIGCLC-PLSXKVAHSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(CCCC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000766847048 978727661 /nfs/dbraw/zinc/72/76/61/978727661.db2.gz WUPOFTYJXNEQPF-UHFFFAOYSA-N -1 0 323.392 3.605 20 0 DHADRM Cc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000774053489 978745274 /nfs/dbraw/zinc/74/52/74/978745274.db2.gz JBTSCVCKQHZUEJ-UHFFFAOYSA-N -1 0 321.735 3.762 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2ccccc2[nH]1 ZINC000160734729 1014522218 /nfs/dbraw/zinc/52/22/18/1014522218.db2.gz DYNSDUMBTCKXML-UHFFFAOYSA-N -1 0 309.350 3.850 20 0 DHADRM CC(=O)c1cccc(COC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000164607208 1014522628 /nfs/dbraw/zinc/52/26/28/1014522628.db2.gz NQYNDLRZBAXTBN-UHFFFAOYSA-N -1 0 312.152 3.881 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000799244010 978837720 /nfs/dbraw/zinc/83/77/20/978837720.db2.gz ZVXNJHDBRVWSEU-HNNXBMFYSA-N -1 0 317.772 3.546 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000811820530 978864693 /nfs/dbraw/zinc/86/46/93/978864693.db2.gz ZPXWGSNULVSENX-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000833152693 979097713 /nfs/dbraw/zinc/09/77/13/979097713.db2.gz YBASEIHCWQVXOE-NQBHXWOUSA-N -1 0 320.364 3.614 20 0 DHADRM O=C([O-])[C@@H](Nc1ccc(Oc2ccccn2)cc1)c1cccnc1 ZINC000833170226 979104914 /nfs/dbraw/zinc/10/49/14/979104914.db2.gz OJJFSGLXCQHCGQ-KRWDZBQOSA-N -1 0 321.336 3.507 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@H](CC)C(C)C)c1ccccc1 ZINC001595029378 979156392 /nfs/dbraw/zinc/15/63/92/979156392.db2.gz AAGMCYRRPIHJTJ-GOEBONIOSA-N -1 0 305.418 3.955 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833319970 979156824 /nfs/dbraw/zinc/15/68/24/979156824.db2.gz QJRAUTBCOQCSHW-UHFFFAOYSA-N -1 0 316.401 3.819 20 0 DHADRM CC[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001595029822 979161632 /nfs/dbraw/zinc/16/16/32/979161632.db2.gz GXPGJHOTPLTTRP-OAHLLOKOSA-N -1 0 317.429 3.816 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC001595033628 979176238 /nfs/dbraw/zinc/17/62/38/979176238.db2.gz OHJXBJSCNBHOHB-HIFRSBDPSA-N -1 0 323.408 3.920 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)C(C)(C)C ZINC001595033480 979176695 /nfs/dbraw/zinc/17/66/95/979176695.db2.gz LCWMOZIVZSTTNJ-BBRMVZONSA-N -1 0 323.408 3.838 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000263498833 1014555858 /nfs/dbraw/zinc/55/58/58/1014555858.db2.gz KHXKLEDHRKSJOZ-GXSJLCMTSA-N -1 0 302.201 3.679 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595035642 979186383 /nfs/dbraw/zinc/18/63/83/979186383.db2.gz IRKCAHRXGYEROO-DOMZBBRYSA-N -1 0 309.381 3.530 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595036032 979190882 /nfs/dbraw/zinc/19/08/82/979190882.db2.gz NGQUQZOIBRPCKO-IAGOWNOFSA-N -1 0 319.445 3.651 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001595036821 979200360 /nfs/dbraw/zinc/20/03/60/979200360.db2.gz ZCNPCNQXXXSYQN-WCVJEAGWSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(OC)ccc1C(=O)[O-])C(C)(C)C ZINC001595036962 979201129 /nfs/dbraw/zinc/20/11/29/979201129.db2.gz KKVYHNJBSVEATH-NSHDSACASA-N -1 0 307.390 3.794 20 0 DHADRM CC[C@@H](CC(=O)Oc1c(OC)cccc1C(=O)[O-])C(C)(C)C ZINC001595037024 979202310 /nfs/dbraw/zinc/20/23/10/979202310.db2.gz NYQOWJLJTGZGDC-NSHDSACASA-N -1 0 308.374 3.761 20 0 DHADRM CC[C@H](CC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1)C(C)C ZINC001595037181 979203988 /nfs/dbraw/zinc/20/39/88/979203988.db2.gz RTTRFLQECRJDIP-SNVBAGLBSA-N -1 0 312.435 3.976 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001595039275 979213650 /nfs/dbraw/zinc/21/36/50/979213650.db2.gz PZKCEWGRNPHETB-HTQZYQBOSA-N -1 0 308.252 3.561 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595041091 979220675 /nfs/dbraw/zinc/22/06/75/979220675.db2.gz DVMOWEPCIDOGJT-JTQLQIEISA-N -1 0 314.328 3.636 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001595042412 979234398 /nfs/dbraw/zinc/23/43/98/979234398.db2.gz LLICURYZNNZQEV-ZETCQYMHSA-N -1 0 305.708 3.658 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001595042512 979235097 /nfs/dbraw/zinc/23/50/97/979235097.db2.gz NRKSTHCILKWMCB-QMMMGPOBSA-N -1 0 319.735 3.967 20 0 DHADRM CC(C)c1ccc(O[C@H](C)CNc2cccc(C(=O)[O-])n2)cc1 ZINC001592728941 979239800 /nfs/dbraw/zinc/23/98/00/979239800.db2.gz HYPLUONZOIDJQE-CYBMUJFWSA-N -1 0 314.385 3.783 20 0 DHADRM C[C@@H](CNc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001592729884 979246796 /nfs/dbraw/zinc/24/67/96/979246796.db2.gz SZZCSERNQKLUNS-BYPYZUCNSA-N -1 0 317.094 3.540 20 0 DHADRM Cc1ccccc1C1(C(=O)NCCCCCCC(=O)[O-])CCC1 ZINC000836716847 979248651 /nfs/dbraw/zinc/24/86/51/979248651.db2.gz OBNXKYQYJDEBLO-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM O=C([O-])C1CCC(Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000840994329 979291781 /nfs/dbraw/zinc/29/17/81/979291781.db2.gz IUXHURJEIWMONP-UHFFFAOYSA-N -1 0 324.371 3.620 20 0 DHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCC(=O)[O-] ZINC000843329809 979339537 /nfs/dbraw/zinc/33/95/37/979339537.db2.gz VEAOYDXWGGZKMZ-VIFPVBQESA-N -1 0 318.200 3.768 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C=C\C2CCCCCC2)c1 ZINC000846118832 979406741 /nfs/dbraw/zinc/40/67/41/979406741.db2.gz ZTCJXATVODFMCT-KHPPLWFESA-N -1 0 301.386 3.779 20 0 DHADRM Cc1cc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000846236557 979417168 /nfs/dbraw/zinc/41/71/68/979417168.db2.gz TZOJBOPHVHOYFO-HNNXBMFYSA-N -1 0 320.776 3.672 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595105479 979423015 /nfs/dbraw/zinc/42/30/15/979423015.db2.gz AIOURMIWQSEYQE-LLVKDONJSA-N -1 0 314.385 3.944 20 0 DHADRM CCC(CC)[C@H](CCNc1nc(Cl)c(C(=O)[O-])s1)OC ZINC001595106456 979432465 /nfs/dbraw/zinc/43/24/65/979432465.db2.gz NUKFQEPBBAAZEC-VIFPVBQESA-N -1 0 320.842 3.748 20 0 DHADRM CCC(CC)n1ccc(CNc2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001595124567 979505532 /nfs/dbraw/zinc/50/55/32/979505532.db2.gz PADRXUHDKZFPMP-UHFFFAOYSA-N -1 0 323.343 3.833 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595125577 979508576 /nfs/dbraw/zinc/50/85/76/979508576.db2.gz AURCNRZFQGGVHR-OAHLLOKOSA-N -1 0 309.450 3.744 20 0 DHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)o1 ZINC000851595876 979508968 /nfs/dbraw/zinc/50/89/68/979508968.db2.gz RCGMTLZZIUPFIZ-KLQCNHIUSA-N -1 0 317.385 3.562 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595126517 979518331 /nfs/dbraw/zinc/51/83/31/979518331.db2.gz WAGHTSKOYXWSGR-NNXHMXCWSA-N -1 0 321.461 3.599 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595126534 979519062 /nfs/dbraw/zinc/51/90/62/979519062.db2.gz WOEFUGZNOUHUSY-RKVPGOIHSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@H](CCc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001595129115 979531216 /nfs/dbraw/zinc/53/12/16/979531216.db2.gz DDYPGCFPCYGKTM-QGZVFWFLSA-N -1 0 311.381 3.526 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851625252 979561083 /nfs/dbraw/zinc/56/10/83/979561083.db2.gz VHRZOKXVYIAMJB-IEZBTEQYSA-N -1 0 319.401 3.952 20 0 DHADRM C/C(=C/C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(C)(C)C ZINC000856979423 979616977 /nfs/dbraw/zinc/61/69/77/979616977.db2.gz SSBGPMUMBZKYNR-WOWTTXDGSA-N -1 0 315.413 3.796 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccccc1CCC(C)C)C(=O)[O-] ZINC001595153699 979654694 /nfs/dbraw/zinc/65/46/94/979654694.db2.gz DEPDEEUVPFTIII-ZDUSSCGKSA-N -1 0 306.406 3.508 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000864108354 979698340 /nfs/dbraw/zinc/69/83/40/979698340.db2.gz VXNBNGPLKJQUCS-PLNGDYQASA-N -1 0 317.385 3.564 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000864108352 979698481 /nfs/dbraw/zinc/69/84/81/979698481.db2.gz VVXFPFZJLUXSIF-HJWRWDBZSA-N -1 0 317.385 3.562 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000864122396 979719608 /nfs/dbraw/zinc/71/96/08/979719608.db2.gz QKRVPJFDUJAQII-ZIAGYGMSSA-N -1 0 303.402 3.670 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000864136042 979739115 /nfs/dbraw/zinc/73/91/15/979739115.db2.gz RMDKRDHITZALAI-LSDHHAIUSA-N -1 0 315.394 3.508 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864137950 979741255 /nfs/dbraw/zinc/74/12/55/979741255.db2.gz QFEGWCWIDVEMPT-UHFFFAOYSA-N -1 0 311.381 3.664 20 0 DHADRM C[C@H](Cc1ccc(NCCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001592876845 979741856 /nfs/dbraw/zinc/74/18/56/979741856.db2.gz DHECYPJOQINWLU-GFCCVEGCSA-N -1 0 319.351 3.883 20 0 DHADRM C[C@H](Cc1ccc(NCCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC001592878250 979749356 /nfs/dbraw/zinc/74/93/56/979749356.db2.gz YKMRYWQVNNFVHN-GFCCVEGCSA-N -1 0 319.351 3.883 20 0 DHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592884851 979766442 /nfs/dbraw/zinc/76/64/42/979766442.db2.gz CXXJXGJGPUKNKR-LLVKDONJSA-N -1 0 318.756 3.822 20 0 DHADRM CC[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)C2)CC(F)(F)F ZINC001595177569 979777594 /nfs/dbraw/zinc/77/75/94/979777594.db2.gz SCDDXEMXRAUIER-GWMXKSKGSA-N -1 0 322.323 3.543 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864165106 979788094 /nfs/dbraw/zinc/78/80/94/979788094.db2.gz AQHWOJRZWFQYLJ-CWIOURORSA-N -1 0 313.397 3.503 20 0 DHADRM C[C@H](Cc1ccsc1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC001592906988 979851441 /nfs/dbraw/zinc/85/14/41/979851441.db2.gz SHQIWJHPNPUXFZ-SECBINFHSA-N -1 0 310.806 3.562 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000864201626 979880308 /nfs/dbraw/zinc/88/03/08/979880308.db2.gz CUVKOPMSMNIJDY-UHFFFAOYSA-N -1 0 303.280 3.593 20 0 DHADRM Cc1ccc2c(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)csc2c1 ZINC000864203802 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O=C([O-])CCCCCCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000909142640 981426724 /nfs/dbraw/zinc/42/67/24/981426724.db2.gz OCRDPMXLJFHUHD-UHFFFAOYSA-N -1 0 315.369 3.712 20 0 DHADRM CCC[C@@](C)(NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001595553413 981429169 /nfs/dbraw/zinc/42/91/69/981429169.db2.gz JKHKIXSECWFFIW-LJQANCHMSA-N -1 0 311.381 3.830 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001595553837 981432567 /nfs/dbraw/zinc/43/25/67/981432567.db2.gz QCFVPGGNWRWVKP-OAHLLOKOSA-N -1 0 323.439 3.850 20 0 DHADRM CCC[C@](C)(NC(=O)c1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001595554062 981434703 /nfs/dbraw/zinc/43/47/03/981434703.db2.gz YCUOUJSIDMRSPD-ZDUSSCGKSA-N -1 0 322.163 3.506 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000909287019 981459762 /nfs/dbraw/zinc/45/97/62/981459762.db2.gz RVSDAHIBUAGLEY-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM Cc1ccc(NC(=O)c2ncsc2C(C)C)cc1C(=O)[O-] ZINC000909295762 981463721 /nfs/dbraw/zinc/46/37/21/981463721.db2.gz XWJQOWXRLZPCKO-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCC[C@@H](C)CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595572093 981482784 /nfs/dbraw/zinc/48/27/84/981482784.db2.gz DASCLVWZBLOXJI-SNVBAGLBSA-N -1 0 312.797 3.986 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000909439045 981493555 /nfs/dbraw/zinc/49/35/55/981493555.db2.gz YTQLAZLESDIYKK-UHFFFAOYSA-N -1 0 323.458 3.763 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595577965 981497430 /nfs/dbraw/zinc/49/74/30/981497430.db2.gz CVVKHFXPVPORKL-QMMMGPOBSA-N -1 0 316.760 3.830 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595578487 981501039 /nfs/dbraw/zinc/50/10/39/981501039.db2.gz FHWQGPWMHCNFGE-WBVHZDCISA-N -1 0 319.445 3.951 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595579013 981504158 /nfs/dbraw/zinc/50/41/58/981504158.db2.gz JZWRSEROAMRYHV-ZDUSSCGKSA-N -1 0 318.417 3.521 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000909484281 981506413 /nfs/dbraw/zinc/50/64/13/981506413.db2.gz PGEHWFJVBCEKAC-LBPRGKRZSA-N -1 0 323.458 3.763 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595580025 981513122 /nfs/dbraw/zinc/51/31/22/981513122.db2.gz XKJKZZWHKZFRGG-CYBMUJFWSA-N -1 0 309.406 3.707 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000909517178 981524013 /nfs/dbraw/zinc/52/40/13/981524013.db2.gz RKOZRMYMBUBHJR-ZDUSSCGKSA-N -1 0 319.401 3.535 20 0 DHADRM CC(C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)=C1CCCC1 ZINC000909519458 981525139 /nfs/dbraw/zinc/52/51/39/981525139.db2.gz IUFODNDICWRUDN-GFCCVEGCSA-N -1 0 301.386 3.779 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595586180 981529862 /nfs/dbraw/zinc/52/98/62/981529862.db2.gz RBJFQLMQZXDLEZ-NSHDSACASA-N -1 0 317.389 3.662 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595586290 981531247 /nfs/dbraw/zinc/53/12/47/981531247.db2.gz VAUDEOYVHVAWFH-SECBINFHSA-N -1 0 315.316 3.751 20 0 DHADRM CCCC(CCC)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595586867 981536778 /nfs/dbraw/zinc/53/67/78/981536778.db2.gz SFSZADCREUVKRT-GOSISDBHSA-N -1 0 305.418 3.709 20 0 DHADRM CCCC(CCC)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595586951 981537478 /nfs/dbraw/zinc/53/74/78/981537478.db2.gz WJTPKUREGKSPCO-LUAWRHEFSA-N -1 0 320.385 3.915 20 0 DHADRM CCC[C@@H](CC)S[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595587094 981538538 /nfs/dbraw/zinc/53/85/38/981538538.db2.gz AJVGCVAZRLZKHS-ZIAGYGMSSA-N -1 0 310.415 3.911 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001595587237 981539830 /nfs/dbraw/zinc/53/98/30/981539830.db2.gz GIQVORPOMKNICV-CVEARBPZSA-N -1 0 309.450 3.600 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)s1 ZINC000442849517 1014745352 /nfs/dbraw/zinc/74/53/52/1014745352.db2.gz OFXCYLLEMDQSFY-UHFFFAOYSA-N -1 0 307.396 3.858 20 0 DHADRM CCC[C@H](O)CCCSCc1c(OC)cccc1C(=O)[O-] ZINC001595606787 981593153 /nfs/dbraw/zinc/59/31/53/981593153.db2.gz ANGMHKRTGJHYED-LBPRGKRZSA-N -1 0 312.431 3.568 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001594741103 981609622 /nfs/dbraw/zinc/60/96/22/981609622.db2.gz UUMLRGNRSAXTEQ-HZPDHXFCSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001594742500 981617795 /nfs/dbraw/zinc/61/77/95/981617795.db2.gz CVCMQYKFPLJCTH-MCYMDBPJSA-N -1 0 315.413 3.582 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001594743560 981624687 /nfs/dbraw/zinc/62/46/87/981624687.db2.gz WJCVIOSUNGWXKS-CVEARBPZSA-N -1 0 317.429 3.758 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCC=CCCC2)c1 ZINC000909830531 981648184 /nfs/dbraw/zinc/64/81/84/981648184.db2.gz LJKYEBWPEFRLLW-UONOGXRCSA-N -1 0 301.386 3.950 20 0 DHADRM Cc1oc(C(C)C)nc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909832336 981649550 /nfs/dbraw/zinc/64/95/50/981649550.db2.gz RVXYYTYKWACBBR-JTQLQIEISA-N -1 0 316.357 3.547 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909834797 981652530 /nfs/dbraw/zinc/65/25/30/981652530.db2.gz BCLMGXBWOSSMNR-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM CCCC1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001595617400 981653067 /nfs/dbraw/zinc/65/30/67/981653067.db2.gz ZOORTZBBOGTVCU-UHFFFAOYSA-N -1 0 302.296 3.791 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594750194 981654392 /nfs/dbraw/zinc/65/43/92/981654392.db2.gz ZYAVPRKLKCSVND-ZIAGYGMSSA-N -1 0 309.381 3.530 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595619599 981679166 /nfs/dbraw/zinc/67/91/66/981679166.db2.gz JMSAZBWXSIIZFG-WMLDXEAASA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC001594759275 981686074 /nfs/dbraw/zinc/68/60/74/981686074.db2.gz GEFZJEHYJBHDHP-INIZCTEOSA-N -1 0 319.401 3.695 20 0 DHADRM CCCC1CCC(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001595620254 981687908 /nfs/dbraw/zinc/68/79/08/981687908.db2.gz AZGQCYYOZFSFHI-UHFFFAOYSA-N -1 0 307.365 3.613 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595621017 981695267 /nfs/dbraw/zinc/69/52/67/981695267.db2.gz ADRHNQSVFCRKFP-QWHCGFSZSA-N -1 0 319.405 3.508 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595621043 981695844 /nfs/dbraw/zinc/69/58/44/981695844.db2.gz AVSRALYUPVCERE-DOMZBBRYSA-N -1 0 319.405 3.569 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595621282 981698045 /nfs/dbraw/zinc/69/80/45/981698045.db2.gz FYEABXGTQDTTIS-NXEZZACHSA-N -1 0 310.419 3.559 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001595622198 981707109 /nfs/dbraw/zinc/70/71/09/981707109.db2.gz SBEFQCRQAAVKIJ-QWHCGFSZSA-N -1 0 307.390 3.623 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595622392 981709793 /nfs/dbraw/zinc/70/97/93/981709793.db2.gz SJJKREGIWMVNKT-PVAVHDDUSA-N -1 0 317.429 3.843 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC001594764622 981710122 /nfs/dbraw/zinc/71/01/22/981710122.db2.gz QIAAGWSTEMDQGT-XJKSGUPXSA-N -1 0 303.402 3.709 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001594767426 981725667 /nfs/dbraw/zinc/72/56/67/981725667.db2.gz GANOMXSJSXQXOG-RCCFBDPRSA-N -1 0 323.392 3.687 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cccc4ccsc43)(CC1)C2 ZINC000910019157 981735703 /nfs/dbraw/zinc/73/57/03/981735703.db2.gz ZVTMKQKQTRBXGZ-UHFFFAOYSA-N -1 0 315.394 3.875 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1sc(C)cc1C)c1ccccc1 ZINC001594770427 981738665 /nfs/dbraw/zinc/73/86/65/981738665.db2.gz JVSYXBDLGUIAFX-AWEZNQCLSA-N -1 0 317.410 3.875 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)CCC(C)(C)C ZINC001594777626 981769429 /nfs/dbraw/zinc/76/94/29/981769429.db2.gz CEWGLFXRQICVJV-SCLBCKFNSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccsc1 ZINC001594780707 981784869 /nfs/dbraw/zinc/78/48/69/981784869.db2.gz HNJPPFVTZBMHKN-KRWDZBQOSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001594780900 981785674 /nfs/dbraw/zinc/78/56/74/981785674.db2.gz IXSBFILZVVHWEK-MAUKXSAKSA-N -1 0 307.434 3.615 20 0 DHADRM CCCC[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)C(C)C ZINC001595630664 981824244 /nfs/dbraw/zinc/82/42/44/981824244.db2.gz NLTODEFUSZEZBU-CYBMUJFWSA-N -1 0 310.365 3.821 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595630983 981829599 /nfs/dbraw/zinc/82/95/99/981829599.db2.gz WOILWQKLVPOBSH-CQSZACIVSA-N -1 0 302.729 3.862 20 0 DHADRM CCCC[C@H](C)[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595631239 981835215 /nfs/dbraw/zinc/83/52/15/981835215.db2.gz IDQGFROINKJEPY-STQMWFEESA-N -1 0 303.406 3.748 20 0 DHADRM CCCC[C@@H](CC)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC ZINC001595632182 981850600 /nfs/dbraw/zinc/85/06/00/981850600.db2.gz BUXBIRGFHSARMI-CYBMUJFWSA-N -1 0 322.449 3.920 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001595632481 981855421 /nfs/dbraw/zinc/85/54/21/981855421.db2.gz ZHKIWKKIEDZRAO-KDOFPFPSSA-N -1 0 305.418 3.709 20 0 DHADRM CCC(CC)c1cc(CNc2ccc(C(=O)[O-])c(C)n2)on1 ZINC000910300552 981856469 /nfs/dbraw/zinc/85/64/69/981856469.db2.gz WZAOFVAPQACDDD-UHFFFAOYSA-N -1 0 303.362 3.592 20 0 DHADRM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001595632774 981860014 /nfs/dbraw/zinc/86/00/14/981860014.db2.gz QLTPMDUGAOKQAK-CQSZACIVSA-N -1 0 320.433 3.848 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595632717 981860192 /nfs/dbraw/zinc/86/01/92/981860192.db2.gz OFEAYFNZNGRJGT-GFCCVEGCSA-N -1 0 309.381 3.860 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCc1ccccc1C ZINC001594793567 981865400 /nfs/dbraw/zinc/86/54/00/981865400.db2.gz UXLBKDSRLNNBEJ-GOSISDBHSA-N -1 0 319.401 3.597 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595633557 981873503 /nfs/dbraw/zinc/87/35/03/981873503.db2.gz OIAVVJMMKOGNBD-RWBZWWBESA-N -1 0 309.450 3.887 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001595633796 981876881 /nfs/dbraw/zinc/87/68/81/981876881.db2.gz WUAVXQRHBUYMMF-OAHLLOKOSA-N -1 0 305.418 3.793 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)Nc2[nH]cnc2C(=O)[O-])CC1 ZINC001594796731 981880744 /nfs/dbraw/zinc/88/07/44/981880744.db2.gz JNGLFCJDDQGBEU-UHFFFAOYSA-N -1 0 321.421 3.679 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001594797279 981886414 /nfs/dbraw/zinc/88/64/14/981886414.db2.gz XAPHKEMAIPVPJU-JFIBYHEFSA-N -1 0 323.477 3.942 20 0 DHADRM CCC(C)(C)CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594807975 981913969 /nfs/dbraw/zinc/91/39/69/981913969.db2.gz FHZPFENTQYUNHG-UHFFFAOYSA-N -1 0 317.385 3.616 20 0 DHADRM CCCC[C@H](Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC001595642409 981972538 /nfs/dbraw/zinc/97/25/38/981972538.db2.gz PWAXXFMFCZOQLS-AFAVFJNCSA-N -1 0 318.417 3.503 20 0 DHADRM Cc1ccc(N(CC2CC2)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000910537894 981987566 /nfs/dbraw/zinc/98/75/66/981987566.db2.gz CCLYHOUHYZWIJW-UHFFFAOYSA-N -1 0 323.392 3.679 20 0 DHADRM CCCC[C@@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC001595645732 981992095 /nfs/dbraw/zinc/99/20/95/981992095.db2.gz KPKYUSNPUHEWGN-DTWKUNHWSA-N -1 0 304.795 3.692 20 0 DHADRM CCCC[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccc(OC)cc1 ZINC001595646710 982001542 /nfs/dbraw/zinc/00/15/42/982001542.db2.gz UCTZAYJIXJHBTL-CQSZACIVSA-N -1 0 315.373 3.527 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4ccccc4n3)(CC1)CC2 ZINC000910625623 982033753 /nfs/dbraw/zinc/03/37/53/982033753.db2.gz VTYLDXVCBFVMMJ-UHFFFAOYSA-N -1 0 324.380 3.599 20 0 DHADRM CC[C@@](C)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001594841579 982056207 /nfs/dbraw/zinc/05/62/07/982056207.db2.gz BUGCVIGYGCZZHF-GOSISDBHSA-N -1 0 311.337 3.569 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595660920 982073831 /nfs/dbraw/zinc/07/38/31/982073831.db2.gz OSZWMNVRVFLOPU-CJNGLKHVSA-N -1 0 303.402 3.782 20 0 DHADRM Cc1sccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910704144 982073926 /nfs/dbraw/zinc/07/39/26/982073926.db2.gz VUPRDUYXZHICIV-UHFFFAOYSA-N -1 0 310.400 3.587 20 0 DHADRM C/C(=C\C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccco1 ZINC000910705881 982075635 /nfs/dbraw/zinc/07/56/35/982075635.db2.gz NJOWABATGQXVNY-VQHVLOKHSA-N -1 0 320.370 3.600 20 0 DHADRM CCCCC1CCC(CNC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001595661448 982076312 /nfs/dbraw/zinc/07/63/12/982076312.db2.gz TYPCNPOPRNTFOK-UHFFFAOYSA-N -1 0 307.390 3.704 20 0 DHADRM CCCCCC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595662420 982079104 /nfs/dbraw/zinc/07/91/04/982079104.db2.gz DCKIILAOZRFJGJ-AWEZNQCLSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCC[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC001595662427 982079353 /nfs/dbraw/zinc/07/93/53/982079353.db2.gz DQWUZOJEGIGTCO-GPMSIDNRSA-N -1 0 323.477 3.942 20 0 DHADRM CCCCC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(C)C ZINC001595663445 982083966 /nfs/dbraw/zinc/08/39/66/982083966.db2.gz WFJSEUWDSPXNGF-DAYGRLMNSA-N -1 0 309.450 3.552 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595666327 982099936 /nfs/dbraw/zinc/09/99/36/982099936.db2.gz IKPDZLNEZZLPDC-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595666818 982106757 /nfs/dbraw/zinc/10/67/57/982106757.db2.gz SSGMMXBQCJSNLY-ZURLZEQWSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C ZINC001595676102 982146321 /nfs/dbraw/zinc/14/63/21/982146321.db2.gz ICDXNWKFIHWLPA-KKUMJFAQSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2c(cccc2F)s1)C(=O)[O-] ZINC001595676719 982147834 /nfs/dbraw/zinc/14/78/34/982147834.db2.gz NUFUAYGNYCPTDH-GFCCVEGCSA-N -1 0 323.389 3.804 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(O[C@H](C)CC)cc1)C(=O)[O-] ZINC001595681994 982166082 /nfs/dbraw/zinc/16/60/82/982166082.db2.gz ZLDLCPHIPLUIPK-CZUORRHYSA-N -1 0 321.417 3.627 20 0 DHADRM CCCCC[C@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001595683212 982170562 /nfs/dbraw/zinc/17/05/62/982170562.db2.gz MWIIUGYXLCLHFG-HNNXBMFYSA-N -1 0 318.442 3.933 20 0 DHADRM CCCc1[nH]ccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910945538 982170986 /nfs/dbraw/zinc/17/09/86/982170986.db2.gz CMKNKFXXISJLPV-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM CSc1ccc(NC(=O)/C=C\C2CCCC2)cc1C(=O)[O-] ZINC000910946917 982171663 /nfs/dbraw/zinc/17/16/63/982171663.db2.gz VTPIOXNCYDIEOT-TWGQIWQCSA-N -1 0 305.399 3.792 20 0 DHADRM CSc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1C(=O)[O-] ZINC000910951537 982174337 /nfs/dbraw/zinc/17/43/37/982174337.db2.gz SEVCLWDONVPIMH-UHFFFAOYSA-N -1 0 319.382 3.877 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC000910962040 982179985 /nfs/dbraw/zinc/17/99/85/982179985.db2.gz YSFUYXCHXBFHQR-UHFFFAOYSA-N -1 0 318.398 3.527 20 0 DHADRM CCCCCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001595689385 982185683 /nfs/dbraw/zinc/18/56/83/982185683.db2.gz AURMXKBPPBYTAB-OAHLLOKOSA-N -1 0 305.418 3.706 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595690329 982194566 /nfs/dbraw/zinc/19/45/66/982194566.db2.gz NKWGAXCMGIFONI-HRCADAONSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595691077 982204920 /nfs/dbraw/zinc/20/49/20/982204920.db2.gz ZCWYHUKSMFCMNP-PMPSAXMXSA-N -1 0 324.465 3.774 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001594881268 982237524 /nfs/dbraw/zinc/23/75/24/982237524.db2.gz OESLQZFXDCVAPB-PSASIEDQSA-N -1 0 320.414 3.924 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595697498 982242529 /nfs/dbraw/zinc/24/25/29/982242529.db2.gz KRTAMZMLLXJPLT-GFCCVEGCSA-N -1 0 309.406 3.899 20 0 DHADRM CCCCCC[C@H](C)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595698351 982250389 /nfs/dbraw/zinc/25/03/89/982250389.db2.gz RJMUBYGDRUOPSE-NSHDSACASA-N -1 0 307.394 3.569 20 0 DHADRM CCCCCC[C@H](C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001595698310 982250835 /nfs/dbraw/zinc/25/08/35/982250835.db2.gz RATKKRRQRJEYTQ-NSHDSACASA-N -1 0 312.435 3.705 20 0 DHADRM CCCCN(CCCC)C(=O)c1ccccc1CCC(=O)[O-] ZINC001595745112 982411676 /nfs/dbraw/zinc/41/16/76/982411676.db2.gz VAKNKRGLAGAVCK-UHFFFAOYSA-N -1 0 305.418 3.746 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001594930459 982552726 /nfs/dbraw/zinc/55/27/26/982552726.db2.gz XGRPBRILKJWMFG-LDYMZIIASA-N -1 0 321.427 3.535 20 0 DHADRM CCCCc1cc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)ncn1 ZINC001595794028 982598223 /nfs/dbraw/zinc/59/82/23/982598223.db2.gz VXAFLLZZYFQRNT-UHFFFAOYSA-N -1 0 313.401 3.925 20 0 DHADRM CCCCc1ccc(-c2csc(NC(=O)CC(=O)[O-])n2)cc1 ZINC001595794113 982598846 /nfs/dbraw/zinc/59/88/46/982598846.db2.gz ZKQDPYVBZASECS-UHFFFAOYSA-N -1 0 318.398 3.566 20 0 DHADRM CCCCc1ccc(N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)cc1 ZINC001595796208 982600647 /nfs/dbraw/zinc/60/06/47/982600647.db2.gz KDLXYOQCLXCJRG-MRXNPFEDSA-N -1 0 303.402 3.613 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001594938049 982604901 /nfs/dbraw/zinc/60/49/01/982604901.db2.gz DNTWZCITZXUEQN-LYSZQXJVSA-N -1 0 317.429 3.576 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001594939977 982612010 /nfs/dbraw/zinc/61/20/10/982612010.db2.gz WTUJJQUTXKAYPP-LRDDRELGSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001594946862 982644315 /nfs/dbraw/zinc/64/43/15/982644315.db2.gz SXCMSCCAWVTUDX-CXAGYDPISA-N -1 0 315.413 3.873 20 0 DHADRM COCc1csc(CNc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000656567008 1014865115 /nfs/dbraw/zinc/86/51/15/1014865115.db2.gz YREYLQTYTIBNKQ-UHFFFAOYSA-N -1 0 319.426 3.914 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001594950093 982657076 /nfs/dbraw/zinc/65/70/76/982657076.db2.gz SQUQPKSXTGFSPC-BONVTDFDSA-N -1 0 317.385 3.669 20 0 DHADRM CCCN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001595823336 982698782 /nfs/dbraw/zinc/69/87/82/982698782.db2.gz UDEDBWVRZMZXNE-UHFFFAOYSA-N -1 0 312.369 3.944 20 0 DHADRM CC[C@H](C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594959118 982703628 /nfs/dbraw/zinc/70/36/28/982703628.db2.gz LPNBIGAEOVUUMX-ZFWWWQNUSA-N -1 0 320.433 3.574 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)C2(CCc3ccccc3)CC2)c1 ZINC000923066747 982704660 /nfs/dbraw/zinc/70/46/60/982704660.db2.gz NXNJTVBAJKSABA-UHFFFAOYSA-N -1 0 323.392 3.665 20 0 DHADRM CCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC001595826934 982710674 /nfs/dbraw/zinc/71/06/74/982710674.db2.gz JMEFPAXAVZKKTG-UHFFFAOYSA-N -1 0 319.307 3.720 20 0 DHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)c1ccc(CC)cc1 ZINC001595827667 982713972 /nfs/dbraw/zinc/71/39/72/982713972.db2.gz WCTDDHMYOCNPIV-UHFFFAOYSA-N -1 0 301.342 3.597 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCc1cccc(C)c1 ZINC000923092170 982717122 /nfs/dbraw/zinc/71/71/22/982717122.db2.gz ORBPRIPOTJBKDW-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccn1 ZINC000923093793 982718756 /nfs/dbraw/zinc/71/87/56/982718756.db2.gz XHPHFCZGLNBQJX-NSHDSACASA-N -1 0 318.398 3.672 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cnc(C(C)C)s1 ZINC000923093850 982718760 /nfs/dbraw/zinc/71/87/60/982718760.db2.gz DMUKPIXYAPQWAJ-UHFFFAOYSA-N -1 0 310.400 3.587 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(C2CC2)cc1 ZINC000923095976 982720438 /nfs/dbraw/zinc/72/04/38/982720438.db2.gz XMKPAQWFQRLFFR-UHFFFAOYSA-N -1 0 301.367 3.884 20 0 DHADRM CCCN(C(=O)c1sc2ccc(F)cc2c1C)[C@H](C)C(=O)[O-] ZINC001595832103 982725644 /nfs/dbraw/zinc/72/56/44/982725644.db2.gz ZZPGJXVOIRDOKC-SNVBAGLBSA-N -1 0 323.389 3.674 20 0 DHADRM CCCN(C)c1ccccc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001595839577 982755472 /nfs/dbraw/zinc/75/54/72/982755472.db2.gz JYFYXMQYPFGLPM-SOUVJXGZSA-N -1 0 304.434 3.834 20 0 DHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C)C1CCC(C)CC1 ZINC000923155636 982771946 /nfs/dbraw/zinc/77/19/46/982771946.db2.gz PCGAYNUTMLXQKP-NQBOGQKCSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)C(C)C ZINC001116297475 982925875 /nfs/dbraw/zinc/92/58/75/982925875.db2.gz OWCVJXURFYRBSK-GDBMZVCRSA-N -1 0 305.418 3.699 20 0 DHADRM CCCN(Cc1ccccc1F)c1ncc(C(=O)[O-])cc1Cl ZINC001595891618 982927186 /nfs/dbraw/zinc/92/71/86/982927186.db2.gz WLNKFSCYMHSDDK-UHFFFAOYSA-N -1 0 322.767 3.989 20 0 DHADRM CCCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595894426 982929212 /nfs/dbraw/zinc/92/92/12/982929212.db2.gz CYNDGWBHBXUQKN-GASCZTMLSA-N -1 0 311.381 3.694 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC001116329832 982929175 /nfs/dbraw/zinc/92/91/75/982929175.db2.gz NJXLEQBXOODHHP-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC001116330080 982930040 /nfs/dbraw/zinc/93/00/40/982930040.db2.gz SMQYAJLZAREOPC-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595009575 982935540 /nfs/dbraw/zinc/93/55/40/982935540.db2.gz JHTQWZRVJMPPIS-AXHNFQJDSA-N -1 0 317.429 3.963 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001595009790 982936779 /nfs/dbraw/zinc/93/67/79/982936779.db2.gz ZDMAPMCXBAKCDW-CYBMUJFWSA-N -1 0 314.385 3.878 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001595010088 982938458 /nfs/dbraw/zinc/93/84/58/982938458.db2.gz MZDMQXHADYTIKK-HEHGZKQESA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001595013318 982945776 /nfs/dbraw/zinc/94/57/76/982945776.db2.gz GQJVXSAJVCIBOC-CYBMUJFWSA-N -1 0 318.417 3.967 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2ccc3cc[nH]c3c2)CCCC1 ZINC001119085697 982975697 /nfs/dbraw/zinc/97/56/97/982975697.db2.gz SDGSQZJLHSUSBM-UHFFFAOYSA-N -1 0 300.358 3.532 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CC2(C(F)(F)F)CC2)c1 ZINC001119644838 983012193 /nfs/dbraw/zinc/01/21/93/983012193.db2.gz MQFMOXLJZWKFSB-SECBINFHSA-N -1 0 315.291 3.546 20 0 DHADRM CCCNc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001595936751 983079009 /nfs/dbraw/zinc/07/90/09/983079009.db2.gz OAQRLVOTSWWIBF-LLVKDONJSA-N -1 0 319.430 3.514 20 0 DHADRM CCCOc1ccc(NCc2ncc(C(=O)[O-])s2)c(C)c1 ZINC001595966317 983171200 /nfs/dbraw/zinc/17/12/00/983171200.db2.gz HEJHYJQPKGAKMG-UHFFFAOYSA-N -1 0 306.387 3.551 20 0 DHADRM CCCOc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)cc1F ZINC001595966297 983171344 /nfs/dbraw/zinc/17/13/44/983171344.db2.gz GOXOFDDFVROXCS-FMVNMVDZSA-N -1 0 307.365 3.526 20 0 DHADRM CCCSc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)n1 ZINC001595987422 983238835 /nfs/dbraw/zinc/23/88/35/983238835.db2.gz GFOAXVSDYPWKEO-JHJVBQTASA-N -1 0 308.447 3.885 20 0 DHADRM CCCSc1cccc(NCc2cccc(C(=O)[O-])c2)n1 ZINC001595987773 983240600 /nfs/dbraw/zinc/24/06/00/983240600.db2.gz QFAOGXLBEJVPRM-UHFFFAOYSA-N -1 0 302.399 3.894 20 0 DHADRM CCCc1c(C(=O)N2CCC[C@@H](CCC)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031929 983305080 /nfs/dbraw/zinc/30/50/80/983305080.db2.gz BSTDHTZLINEYRO-CYBMUJFWSA-N -1 0 320.433 3.626 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000909505314 1014936694 /nfs/dbraw/zinc/93/66/94/1014936694.db2.gz HVMCUGHFERUOON-JTQLQIEISA-N -1 0 324.446 3.543 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)ccc1Cl ZINC001596053298 983354230 /nfs/dbraw/zinc/35/42/30/983354230.db2.gz PHCITFHCWRUVPG-QGZVFWFLSA-N -1 0 323.820 3.619 20 0 DHADRM CCCc1ccc(CCCC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001596063089 983373371 /nfs/dbraw/zinc/37/33/71/983373371.db2.gz PFTNACFGYWMWBE-UHFFFAOYSA-N -1 0 319.445 3.579 20 0 DHADRM CCCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001596070487 983385608 /nfs/dbraw/zinc/38/56/08/983385608.db2.gz GUHQTBFOCWSLBV-UHFFFAOYSA-N -1 0 313.353 3.598 20 0 DHADRM CCCc1nc(C)c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001596082934 983403498 /nfs/dbraw/zinc/40/34/98/983403498.db2.gz DZHSBGYNVNGFBG-OAHLLOKOSA-N -1 0 322.792 3.504 20 0 DHADRM CCCc1nc(C)c(CN[C@@H](C(=O)[O-])c2ccccc2Cl)o1 ZINC001596083307 983405074 /nfs/dbraw/zinc/40/50/74/983405074.db2.gz KNECZBSMMDJPSF-OAHLLOKOSA-N -1 0 322.792 3.504 20 0 DHADRM CCCn1cncc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001596118338 983452601 /nfs/dbraw/zinc/45/26/01/983452601.db2.gz UIYOXTQXZOHQOB-UHFFFAOYSA-N -1 0 315.398 3.818 20 0 DHADRM CCN(Cc1ccccc1F)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596371404 983868809 /nfs/dbraw/zinc/86/88/09/983868809.db2.gz BXOKIUJKIDMEDI-SNVBAGLBSA-N -1 0 308.378 3.564 20 0 DHADRM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)cc1[O-] ZINC000094019236 1015000265 /nfs/dbraw/zinc/00/02/65/1015000265.db2.gz OUTAJCAVRGYEGK-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM CCNc1cc(C)ccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001596499509 984250355 /nfs/dbraw/zinc/25/03/55/984250355.db2.gz NFWXMHHYLNFXPR-UHFFFAOYSA-N -1 0 312.369 3.686 20 0 DHADRM C=COc1ccc(NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001588914206 984557432 /nfs/dbraw/zinc/55/74/32/984557432.db2.gz QGOCJUZZACDYAL-UHFFFAOYSA-N -1 0 304.327 3.613 20 0 DHADRM C/C(=C\C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588932390 984608081 /nfs/dbraw/zinc/60/80/81/984608081.db2.gz CNUFMXSQNDKQFR-NTCAYCPXSA-N -1 0 315.413 3.644 20 0 DHADRM C/C(=C(/F)C(=O)N(CCCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC001588932891 984610494 /nfs/dbraw/zinc/61/04/94/984610494.db2.gz MGLUCSFHHLYLOY-LGMDPLHJSA-N -1 0 319.376 3.534 20 0 DHADRM C/C(=C(\F)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CC1 ZINC001588932937 984610967 /nfs/dbraw/zinc/61/09/67/984610967.db2.gz NLHGJARMFQMQHB-GXDHUFHOSA-N -1 0 321.348 3.764 20 0 DHADRM C/C(=C\C(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC001588952650 984687729 /nfs/dbraw/zinc/68/77/29/984687729.db2.gz BRZHBTNCRULIFY-ZHACJKMWSA-N -1 0 322.788 3.930 20 0 DHADRM C/C(=C/C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1cccc(F)c1 ZINC001588952945 984690224 /nfs/dbraw/zinc/69/02/24/984690224.db2.gz FPULDYVJYVROEX-YAEJEKNGSA-N -1 0 318.300 3.825 20 0 DHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001588953655 984697922 /nfs/dbraw/zinc/69/79/22/984697922.db2.gz YHKCKIQSJNZHFX-ZHUYAKLQSA-N -1 0 302.351 3.521 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001588955923 984700611 /nfs/dbraw/zinc/70/06/11/984700611.db2.gz CZZRVGNXBPWBPU-GGMZTVOYSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001588956125 984701160 /nfs/dbraw/zinc/70/11/60/984701160.db2.gz HEXMTVULHGAUBQ-FCWXWSBESA-N -1 0 307.434 3.613 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588956438 984704457 /nfs/dbraw/zinc/70/44/57/984704457.db2.gz OXVFBGGJYVYLDL-RDRICISKSA-N -1 0 317.429 3.947 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001588956558 984705706 /nfs/dbraw/zinc/70/57/06/984705706.db2.gz SZPIJHNKKUFKGG-LUAWRHEFSA-N -1 0 308.399 3.761 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000909516378 1015065736 /nfs/dbraw/zinc/06/57/36/1015065736.db2.gz LCFXLZBDOLBYQW-YHWZYXNKSA-N -1 0 319.426 3.614 20 0 DHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001599902595 984867383 /nfs/dbraw/zinc/86/73/83/984867383.db2.gz IBVGTWCUPIMMBH-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1Cl ZINC001599902922 984873682 /nfs/dbraw/zinc/87/36/82/984873682.db2.gz QFBWTKFGBSFEEE-QMMMGPOBSA-N -1 0 309.774 3.591 20 0 DHADRM C[C@H](OC(=O)/C=C\c1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC001599903974 984898762 /nfs/dbraw/zinc/89/87/62/984898762.db2.gz VFVYZWFGTCKDAP-WEHUKYGOSA-N -1 0 314.312 3.842 20 0 DHADRM C/C(=C\COC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588989404 984909028 /nfs/dbraw/zinc/90/90/28/984909028.db2.gz QXLWQPMMGDKBBU-PCYYEKQGSA-N -1 0 316.275 3.540 20 0 DHADRM C[C@H](OC(=O)[C@H](F)Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904934 984909985 /nfs/dbraw/zinc/90/99/85/984909985.db2.gz LINMKQBQOWBJCE-BLLLJJGKSA-N -1 0 316.328 3.570 20 0 DHADRM CC(/C=C(/C(=O)[O-])c1ncccn1)=C\c1ccc(Cl)cc1 ZINC001588998118 984934226 /nfs/dbraw/zinc/93/42/26/984934226.db2.gz INJCQQKKQVCPNI-LRGIMLIUSA-N -1 0 300.745 3.702 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001589002790 984949325 /nfs/dbraw/zinc/94/93/25/984949325.db2.gz RZLWQWRHHRRNML-YRNVUSSQSA-N -1 0 308.761 3.541 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001589003768 984957135 /nfs/dbraw/zinc/95/71/35/984957135.db2.gz LAUKEIUEAOARIS-ZRDIBKRKSA-N -1 0 315.394 3.622 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccccc1C(=O)[O-] ZINC001589003874 984957656 /nfs/dbraw/zinc/95/76/56/984957656.db2.gz OSUPKLWTQPMENF-WYMLVPIESA-N -1 0 309.365 3.560 20 0 DHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001589022442 985016407 /nfs/dbraw/zinc/01/64/07/985016407.db2.gz AYSPDKUXFWGDHU-CHWSQXEVSA-N -1 0 319.401 3.599 20 0 DHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1 ZINC000656738338 1015107301 /nfs/dbraw/zinc/10/73/01/1015107301.db2.gz IOGBWDFNYGWSRL-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM C[C@]1(C(=O)O[C@H](C(=O)[O-])c2ccsc2)C[C@@H]1c1ccccc1 ZINC001599938009 985420091 /nfs/dbraw/zinc/42/00/91/985420091.db2.gz UVBDVQIBXMWGIP-KEYYUXOJSA-N -1 0 316.378 3.611 20 0 DHADRM C[C@]1(C(=O)Nc2ccsc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599938003 985420361 /nfs/dbraw/zinc/42/03/61/985420361.db2.gz ULBBUCXMOSGQFT-BZNIZROVSA-N -1 0 301.367 3.579 20 0 DHADRM C[Si](C)(C)CCCC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599940476 985448277 /nfs/dbraw/zinc/44/82/77/985448277.db2.gz WFVJYRAFTIASQJ-UHFFFAOYSA-N -1 0 313.514 3.646 20 0 DHADRM Cc1nc(=O)[nH]c(S[C@H](C)c2ccccc2Cl)c1C(=O)[O-] ZINC001599941873 985464802 /nfs/dbraw/zinc/46/48/02/985464802.db2.gz YAGUAPJJNBVIQW-MRVPVSSYSA-N -1 0 324.789 3.696 20 0 DHADRM CCO[C@@H]1CCC[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001596852481 985584404 /nfs/dbraw/zinc/58/44/04/985584404.db2.gz CXBRZRNMDWCWNZ-VVLHAWIVSA-N -1 0 303.402 3.634 20 0 DHADRM Cc1[nH]c(C(=O)CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1C(=O)[O-] ZINC001599949869 985589849 /nfs/dbraw/zinc/58/98/49/985589849.db2.gz YWQRZGODQBUKNZ-UPJWGTAASA-N -1 0 321.442 3.682 20 0 DHADRM Cc1[nH]c(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c(C)c1C(=O)[O-] ZINC001599951607 985617010 /nfs/dbraw/zinc/61/70/10/985617010.db2.gz VTRLGNPLNGHODJ-MFKMUULPSA-N -1 0 320.433 3.617 20 0 DHADRM Cc1[nH]c(C(=O)N(C)c2ccc3ccccc3c2)c(C)c1C(=O)[O-] ZINC001599951616 985617167 /nfs/dbraw/zinc/61/71/67/985617167.db2.gz WENCRAXIZXSWDR-UHFFFAOYSA-N -1 0 322.364 3.760 20 0 DHADRM CC(=O)OCCCCSc1cc2ccccc2cc1C(=O)[O-] ZINC001589228497 985761730 /nfs/dbraw/zinc/76/17/30/985761730.db2.gz IPXNIHCTRLKASO-UHFFFAOYSA-N -1 0 318.394 3.973 20 0 DHADRM C[C@H]1CN(C)c2ccccc2N(Cc2csc(C(=O)[O-])c2)C1 ZINC001594509502 985777020 /nfs/dbraw/zinc/77/70/20/985777020.db2.gz YZEXUWHPTJLCRC-LBPRGKRZSA-N -1 0 316.426 3.539 20 0 DHADRM CC(=O)c1c(F)cccc1OCc1ccc(C)c(C(=O)[O-])c1 ZINC001589253371 985875077 /nfs/dbraw/zinc/87/50/77/985875077.db2.gz FMTQZHRNXYTHIV-UHFFFAOYSA-N -1 0 302.301 3.614 20 0 DHADRM CC(=O)c1c(C)cc(OCCc2ccccc2C(=O)[O-])cc1C ZINC001589255373 985891562 /nfs/dbraw/zinc/89/15/62/985891562.db2.gz SYEHWPHRQWQSAR-UHFFFAOYSA-N -1 0 312.365 3.826 20 0 DHADRM CC(=O)c1cc(CSc2cc(Cl)ccc2C(=O)[O-])on1 ZINC001589268145 985951942 /nfs/dbraw/zinc/95/19/42/985951942.db2.gz MMBNAEGALDYREB-UHFFFAOYSA-N -1 0 311.746 3.521 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])s1 ZINC001589277312 985994008 /nfs/dbraw/zinc/99/40/08/985994008.db2.gz MREZRYCUUYCWSL-UHFFFAOYSA-N -1 0 323.757 3.555 20 0 DHADRM CC(=O)c1ccc(Cl)cc1OCc1cc(C(=O)[O-])ccc1F ZINC001589283572 986012223 /nfs/dbraw/zinc/01/22/23/986012223.db2.gz GPCQOPDBXCPPIC-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CCOCc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001596949050 986100834 /nfs/dbraw/zinc/10/08/34/986100834.db2.gz CRFPYCNOJDHZOQ-UHFFFAOYSA-N -1 0 303.333 3.673 20 0 DHADRM Cc1c(C(=O)NC2(CCC(=O)[O-])CCCCC2)ccn1C(C)C ZINC001599979256 986138746 /nfs/dbraw/zinc/13/87/46/986138746.db2.gz OGSKZSWGJDKCPJ-UHFFFAOYSA-N -1 0 320.433 3.675 20 0 DHADRM CCON(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC001596968223 986181859 /nfs/dbraw/zinc/18/18/59/986181859.db2.gz GJDYZUOVHUKLEI-UHFFFAOYSA-N -1 0 319.788 3.992 20 0 DHADRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)c2ccccc2O1 ZINC001594542332 986182523 /nfs/dbraw/zinc/18/25/23/986182523.db2.gz KMGWYYQGPIVWTM-LLVKDONJSA-N -1 0 317.772 3.826 20 0 DHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCCF)ccc2n1C1CC1 ZINC001599985408 986220506 /nfs/dbraw/zinc/22/05/06/986220506.db2.gz GTOPYCZCJXVLTB-UHFFFAOYSA-N -1 0 319.332 3.638 20 0 DHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC001589392275 986512929 /nfs/dbraw/zinc/51/29/29/986512929.db2.gz WDSHZICTJJRZLE-CYBMUJFWSA-N -1 0 321.392 3.613 20 0 DHADRM C[C@@H]1CSC(S[C@@H](C(=O)[O-])c2ccccc2Cl)=N1 ZINC001594611124 986603809 /nfs/dbraw/zinc/60/38/09/986603809.db2.gz YCAOOHMVWYAECW-GMSGAONNSA-N -1 0 301.820 3.690 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1Cc1cccc(C(=O)[O-])c1 ZINC001594615739 986634267 /nfs/dbraw/zinc/63/42/67/986634267.db2.gz QGWYBXLFHWRSFY-LLVKDONJSA-N -1 0 301.773 3.989 20 0 DHADRM C[C@@H]1Cc2ncn(Cc3ccc(C(=O)[O-])c(Cl)c3)c2C[C@@H]1C ZINC001594625211 986689320 /nfs/dbraw/zinc/68/93/20/986689320.db2.gz GRJYESQYGDXNDI-MNOVXSKESA-N -1 0 318.804 3.654 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001589431751 986732114 /nfs/dbraw/zinc/73/21/14/986732114.db2.gz MUCWXFBCBFNUIH-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H]([C@H](C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)C(C)(C)C ZINC001589448448 986823938 /nfs/dbraw/zinc/82/39/38/986823938.db2.gz KPUMZTUTNHCYEL-VHSXEESVSA-N -1 0 317.389 3.518 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597140128 986883830 /nfs/dbraw/zinc/88/38/30/986883830.db2.gz PKGJYKTUZQCFIS-SNVBAGLBSA-N -1 0 318.325 3.603 20 0 DHADRM CCOc1cccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001597146271 986909972 /nfs/dbraw/zinc/90/99/72/986909972.db2.gz XLAFLLNBHBOXSA-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C(=O)[O-])s1 ZINC001594665708 986959954 /nfs/dbraw/zinc/95/99/54/986959954.db2.gz JVZHBXFEUXXPOY-SECBINFHSA-N -1 0 323.364 3.844 20 0 DHADRM C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594667603 986973096 /nfs/dbraw/zinc/97/30/96/986973096.db2.gz LRFIIFRJYVDGIY-SNVBAGLBSA-N -1 0 322.767 3.556 20 0 DHADRM CCOc1ccccc1CN(C)Cc1cc(C(=O)[O-])c(CC)o1 ZINC001597172683 987006827 /nfs/dbraw/zinc/00/68/27/987006827.db2.gz OWLKDTUNWTVFBP-UHFFFAOYSA-N -1 0 317.385 3.571 20 0 DHADRM CCOc1ccccc1N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001597178160 987024190 /nfs/dbraw/zinc/02/41/90/987024190.db2.gz BLAFKQHXFPYKGI-UHFFFAOYSA-N -1 0 303.333 3.559 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686239 987063603 /nfs/dbraw/zinc/06/36/03/987063603.db2.gz QGVBZGWJURPRHV-XGACYXMMSA-N -1 0 316.401 3.903 20 0 DHADRM CC/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccc(C)cc1 ZINC001594691364 987090668 /nfs/dbraw/zinc/09/06/68/987090668.db2.gz RWNPVIJLPBDBFU-JKVPJNLHSA-N -1 0 315.413 3.500 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(SC2CC2)cc1)C(=O)[O-] ZINC001589500374 987101002 /nfs/dbraw/zinc/10/10/02/987101002.db2.gz OYMPLSHBJBSEBM-UHFFFAOYSA-N -1 0 321.442 3.562 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C/C=C(Cl)Cl)cc1 ZINC001589502349 987104723 /nfs/dbraw/zinc/10/47/23/987104723.db2.gz FMEXNDFDFRHVSJ-LXOKAJLYSA-N -1 0 314.168 3.688 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC001589507628 987124259 /nfs/dbraw/zinc/12/42/59/987124259.db2.gz BQPOQFYQDWJMGI-NEPJUHHUSA-N -1 0 304.390 3.670 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC001589513854 987161288 /nfs/dbraw/zinc/16/12/88/987161288.db2.gz YQFCWFXKAYLLKQ-ZIAGYGMSSA-N -1 0 316.401 3.743 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC001589513966 987161410 /nfs/dbraw/zinc/16/14/10/987161410.db2.gz YVRNEKQXGCPFMO-WFASDCNBSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3cnccc3c2)cc1 ZINC001589520817 987162946 /nfs/dbraw/zinc/16/29/46/987162946.db2.gz DICYIDKJNHBGOV-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c(F)cc(F)cc2F)c1 ZINC001589531777 987206779 /nfs/dbraw/zinc/20/67/79/987206779.db2.gz JXRALWHPBKSRTP-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc(F)c2F)c1 ZINC001589532042 987209915 /nfs/dbraw/zinc/20/99/15/987209915.db2.gz AKRQUKOAJUXMFL-SECBINFHSA-N -1 0 320.295 3.797 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(F)cc(Cl)c2)c1 ZINC001589532123 987210770 /nfs/dbraw/zinc/21/07/70/987210770.db2.gz MSDVRVMOLKDNKC-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(CF)cc2)c1 ZINC001589532804 987219321 /nfs/dbraw/zinc/21/93/21/987219321.db2.gz UFNYXRRHXAPLCK-LLVKDONJSA-N -1 0 301.317 3.597 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc(F)cc2)c1 ZINC001589533181 987223470 /nfs/dbraw/zinc/22/34/70/987223470.db2.gz INNFMNUQGSFQGH-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccccc2Cl)c1 ZINC001589533476 987227285 /nfs/dbraw/zinc/22/72/85/987227285.db2.gz QCZQDMBTACJPEN-LLVKDONJSA-N -1 0 317.772 3.709 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCC[Si](C)(C)C)c1 ZINC001589533464 987227458 /nfs/dbraw/zinc/22/74/58/987227458.db2.gz PVDLKDSWSAOIJZ-GFCCVEGCSA-N -1 0 307.466 3.932 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC001589533717 987228553 /nfs/dbraw/zinc/22/85/53/987228553.db2.gz RMWSWJJORRKYIW-LBPRGKRZSA-N -1 0 322.364 3.537 20 0 DHADRM CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C1CCC(C)CC1 ZINC001594728567 987235728 /nfs/dbraw/zinc/23/57/28/987235728.db2.gz HLWBYEHAGWUXMQ-OBUAPVMJSA-N -1 0 321.461 3.552 20 0 DHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)C1CCC(C)CC1 ZINC001594729510 987243101 /nfs/dbraw/zinc/24/31/01/987243101.db2.gz STECFFXPCMALMV-SJQFEJMWSA-N -1 0 323.458 3.843 20 0 DHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC001589540926 987249116 /nfs/dbraw/zinc/24/91/16/987249116.db2.gz UOXKILHWJCDZTI-JVXZTZIISA-N -1 0 317.168 3.708 20 0 DHADRM C[C@H](C(=O)OCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589548540 987277366 /nfs/dbraw/zinc/27/73/66/987277366.db2.gz GPGGCFGGRCEAQR-JTQLQIEISA-N -1 0 318.291 3.607 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccs1 ZINC001589553302 987290043 /nfs/dbraw/zinc/29/00/43/987290043.db2.gz NNTITLLMPXGVEP-LLVKDONJSA-N -1 0 318.394 3.819 20 0 DHADRM CCSc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001597277696 987336873 /nfs/dbraw/zinc/33/68/73/987336873.db2.gz YDYAKZUXQSZXCZ-UHFFFAOYSA-N -1 0 317.370 3.536 20 0 DHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589575902 987353468 /nfs/dbraw/zinc/35/34/68/987353468.db2.gz CQLYMWQDGXPKED-UHFFFAOYSA-N -1 0 319.307 3.579 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])CC1 ZINC001597356009 987504463 /nfs/dbraw/zinc/50/44/63/987504463.db2.gz QDULIMGQIPYLLC-ZQIUZPCESA-N -1 0 315.413 3.554 20 0 DHADRM CCc1[nH]c(C(=O)NCCC2=CCCCCC2)c(C)c1C(=O)[O-] ZINC001597367942 987545682 /nfs/dbraw/zinc/54/56/82/987545682.db2.gz FOQQPUDDRGXPKT-UHFFFAOYSA-N -1 0 318.417 3.594 20 0 DHADRM CCc1[nH]c(C(=O)O[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597379030 987568664 /nfs/dbraw/zinc/56/86/64/987568664.db2.gz VVOGRAHUBNIORV-LLVKDONJSA-N -1 0 301.342 3.502 20 0 DHADRM CCc1[nH]c(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384249 987586725 /nfs/dbraw/zinc/58/67/25/987586725.db2.gz ISJTWARUWNPWBE-WBMJQRKESA-N -1 0 316.401 3.842 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cccc3[nH]ccc32)c1 ZINC001589649909 987595538 /nfs/dbraw/zinc/59/55/38/987595538.db2.gz CSVLVQWDCQCNIU-UHFFFAOYSA-N -1 0 323.348 3.749 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@@H]2C=CCCC2)c1 ZINC001589650591 987598421 /nfs/dbraw/zinc/59/84/21/987598421.db2.gz LLVHXNZBVFNKJU-CYBMUJFWSA-N -1 0 302.370 3.701 20 0 DHADRM CCc1[nH]c(CN[C@H](CC(C)(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC001597392645 987626946 /nfs/dbraw/zinc/62/69/46/987626946.db2.gz VQUVNZWHCHRAJC-GFCCVEGCSA-N -1 0 320.355 3.732 20 0 DHADRM CCc1[nH]c(CNc2cccc([C@H](C)OC)c2)cc1C(=O)[O-] ZINC001597398914 987655725 /nfs/dbraw/zinc/65/57/25/987655725.db2.gz YSYXOMZVNJTYNC-NSHDSACASA-N -1 0 302.374 3.595 20 0 DHADRM CC(C)(C(=O)OCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589680897 987708241 /nfs/dbraw/zinc/70/82/41/987708241.db2.gz GXHWXPUPFYDTSR-UHFFFAOYSA-N -1 0 322.744 3.652 20 0 DHADRM CCc1c(Nc2ncc(C(=O)[O-])cc2Cl)cnn1CC(C)C ZINC001597419489 987723164 /nfs/dbraw/zinc/72/31/64/987723164.db2.gz ACCCAXJDHHIBNE-UHFFFAOYSA-N -1 0 322.796 3.592 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)CCCC(F)(F)F)s1 ZINC001597440887 987801108 /nfs/dbraw/zinc/80/11/08/987801108.db2.gz LSFKXSVAABOKEJ-UHFFFAOYSA-N -1 0 309.309 3.680 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001597451527 987842915 /nfs/dbraw/zinc/84/29/15/987842915.db2.gz FIXSBFYOWCCYIQ-IUODEOHRSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001597452784 987851646 /nfs/dbraw/zinc/85/16/46/987851646.db2.gz XQFPMSUAZKYFOM-WBMJQRKESA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[C@@H]1C ZINC001597456764 987865536 /nfs/dbraw/zinc/86/55/36/987865536.db2.gz CCORUBUQIZORBW-SWLSCSKDSA-N -1 0 318.417 3.895 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC001589718494 987875804 /nfs/dbraw/zinc/87/58/04/987875804.db2.gz NUYVABSSGWBPMN-AWEZNQCLSA-N -1 0 319.332 3.634 20 0 DHADRM CC(C)(C)[C@H](NCc1ncc(C(=O)[O-])s1)c1cccc(F)c1 ZINC001589719807 987880530 /nfs/dbraw/zinc/88/05/30/987880530.db2.gz ITWUWJCNCMXLJR-CQSZACIVSA-N -1 0 322.405 3.857 20 0 DHADRM CC(C)(C)[C@@H](NCc1nc(C2CCCCC2)cs1)C(=O)[O-] ZINC001589721042 987885965 /nfs/dbraw/zinc/88/59/65/987885965.db2.gz WHLVRJYYHKWUGZ-AWEZNQCLSA-N -1 0 310.463 3.780 20 0 DHADRM CC(C)(C)[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001589722290 987888349 /nfs/dbraw/zinc/88/83/49/987888349.db2.gz BPCNAJJYRGFAPS-GFCCVEGCSA-N -1 0 308.378 3.603 20 0 DHADRM CC(C)(C)[C@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001589722853 987894925 /nfs/dbraw/zinc/89/49/25/987894925.db2.gz OLWAEZZKXIRJTE-SNVBAGLBSA-N -1 0 321.427 3.535 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC001589726335 987908122 /nfs/dbraw/zinc/90/81/22/987908122.db2.gz IZOYLKRDLIOMMZ-UHFFFAOYSA-N -1 0 321.461 3.910 20 0 DHADRM CC(C)c1csc(C(C#N)=C([O-])c2ncoc2C(C)C)n1 ZINC000080458663 1015344729 /nfs/dbraw/zinc/34/47/29/1015344729.db2.gz LOFDUTRABJCXFB-JTQLQIEISA-N -1 0 303.387 3.868 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597471542 987935613 /nfs/dbraw/zinc/93/56/13/987935613.db2.gz SEQZGSRAVGZJAJ-HZPDHXFCSA-N -1 0 317.429 3.949 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589728897 987938226 /nfs/dbraw/zinc/93/82/26/987938226.db2.gz QKYXUTRMRRRFSE-STQMWFEESA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001589729110 987939875 /nfs/dbraw/zinc/93/98/75/987939875.db2.gz SPTRYROGEMAMJG-XGUBFFRZSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589729181 987940983 /nfs/dbraw/zinc/94/09/83/987940983.db2.gz VMPRXPXUEHRDGQ-ZFWWWQNUSA-N -1 0 321.392 3.859 20 0 DHADRM CS[C@@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C(C)(C)C ZINC001599787281 987945137 /nfs/dbraw/zinc/94/51/37/987945137.db2.gz OJYBRTZMYIPQOC-ZDUSSCGKSA-N -1 0 324.446 3.592 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001589732981 987971226 /nfs/dbraw/zinc/97/12/26/987971226.db2.gz VFXPPXSJZDHUDK-ZDUSSCGKSA-N -1 0 304.390 3.675 20 0 DHADRM CC(C)(C)[C@@H]1CN(Cc2oncc2C(=O)[O-])c2ccccc21 ZINC001589734956 987983469 /nfs/dbraw/zinc/98/34/69/987983469.db2.gz MACQCOOUTZAYJI-CYBMUJFWSA-N -1 0 300.358 3.523 20 0 DHADRM CC(C)(C)[C@@H]1CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001589735328 987985874 /nfs/dbraw/zinc/98/58/74/987985874.db2.gz RTZRPDJSRCTDKO-BZPMIXESSA-N -1 0 309.356 3.602 20 0 DHADRM CS/C=C/C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599790414 987997057 /nfs/dbraw/zinc/99/70/57/987997057.db2.gz KEPUYNTVMFDJIN-SNAWJCMRSA-N -1 0 306.170 3.507 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001589741753 988015493 /nfs/dbraw/zinc/01/54/93/988015493.db2.gz FZPJDNMAQNOINP-UHFFFAOYSA-N -1 0 303.402 3.736 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589745515 988040169 /nfs/dbraw/zinc/04/01/69/988040169.db2.gz NOTHFISOPVPHRH-BFHYXJOUSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001589751730 988055475 /nfs/dbraw/zinc/05/54/75/988055475.db2.gz QSRFPEABHCEJSE-ZDUSSCGKSA-N -1 0 315.369 3.566 20 0 DHADRM CCc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597500889 988060723 /nfs/dbraw/zinc/06/07/23/988060723.db2.gz BFUPKKXPJGHLCZ-KRWDZBQOSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-] ZINC001589759866 988078855 /nfs/dbraw/zinc/07/88/55/988078855.db2.gz FDJWDSFGXVYWNO-GFCCVEGCSA-N -1 0 314.328 3.599 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001589764331 988099328 /nfs/dbraw/zinc/09/93/28/988099328.db2.gz HDTDSWOZWSCTGY-NSHDSACASA-N -1 0 310.419 3.879 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001589766438 988111677 /nfs/dbraw/zinc/11/16/77/988111677.db2.gz DXHXGMYTKRXDKB-SFHVURJKSA-N -1 0 323.408 3.544 20 0 DHADRM CSCCCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599797754 988124667 /nfs/dbraw/zinc/12/46/67/988124667.db2.gz YWGMZPZSZBWWAG-UHFFFAOYSA-N -1 0 301.433 3.535 20 0 DHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2c2cccc(C(=O)[O-])n2)o1 ZINC001597517436 988132937 /nfs/dbraw/zinc/13/29/37/988132937.db2.gz MTRIABXEKAMPDY-SWLSCSKDSA-N -1 0 314.385 3.913 20 0 DHADRM Cc1ccc(-c2nc(CN3CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000261596060 1015367897 /nfs/dbraw/zinc/36/78/97/1015367897.db2.gz AENSRNKXBNACCH-HNNXBMFYSA-N -1 0 316.426 3.558 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccsc2C(=O)[O-])s1 ZINC001589792136 988177737 /nfs/dbraw/zinc/17/77/37/988177737.db2.gz BGFQXFVJTFFZGV-UHFFFAOYSA-N -1 0 324.427 3.744 20 0 DHADRM CCc1ccc(N(CC2CC2)C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC001597533773 988196876 /nfs/dbraw/zinc/19/68/76/988196876.db2.gz QAYJGJWNUQRCBR-UHFFFAOYSA-N -1 0 317.429 3.883 20 0 DHADRM CSCc1ccccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599805324 988245421 /nfs/dbraw/zinc/24/54/21/988245421.db2.gz WOQUKYKDDPAOPS-UHFFFAOYSA-N -1 0 315.394 3.809 20 0 DHADRM CCc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001597550636 988268388 /nfs/dbraw/zinc/26/83/88/988268388.db2.gz IAQNBTNLGIIMAQ-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CSc1cc(C)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599807047 988272550 /nfs/dbraw/zinc/27/25/50/988272550.db2.gz IFEPQQLCNGNDHX-UHFFFAOYSA-N -1 0 319.426 3.691 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001599808683 988297170 /nfs/dbraw/zinc/29/71/70/988297170.db2.gz LLTJUVSUFOIPLN-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CSc1cc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)ccc1C ZINC001599809354 988307451 /nfs/dbraw/zinc/30/74/51/988307451.db2.gz DMTDMCHYKQBACZ-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CCc1ccc2ccccc2c1CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001597569136 988330789 /nfs/dbraw/zinc/33/07/89/988330789.db2.gz QSTQHCRHTCOYSZ-INIZCTEOSA-N -1 0 319.351 3.696 20 0 DHADRM CCc1ccc2occ(C(=O)Nc3cc(C)c(C(=O)[O-])cn3)c2c1 ZINC001597570643 988347362 /nfs/dbraw/zinc/34/73/62/988347362.db2.gz VPKYKXSVRZQHPE-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM CCc1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC001597576364 988366020 /nfs/dbraw/zinc/36/60/20/988366020.db2.gz LHVLMSMZIMXUOQ-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094942 1015381824 /nfs/dbraw/zinc/38/18/24/1015381824.db2.gz OHGUHJQQFOOJJS-LBPRGKRZSA-N -1 0 315.394 3.813 20 0 DHADRM CSc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1C(=O)[O-] ZINC001599816004 988425919 /nfs/dbraw/zinc/42/59/19/988425919.db2.gz LPCZUAYPPIFMMO-CHWSQXEVSA-N -1 0 319.426 3.872 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc2c(s1)CCC2 ZINC001597594187 988430943 /nfs/dbraw/zinc/43/09/43/988430943.db2.gz OIRKLRWZTBIBPR-UHFFFAOYSA-N -1 0 315.394 3.750 20 0 DHADRM CSc1ccc(NC(=O)/C(C)=C\c2ccco2)cc1C(=O)[O-] ZINC001599816584 988436444 /nfs/dbraw/zinc/43/64/44/988436444.db2.gz ZUFWLFNISLSOEY-NTMALXAHSA-N -1 0 317.366 3.742 20 0 DHADRM CSc1ccc(NC(=O)/C(C)=C/c2ccco2)cc1C(=O)[O-] ZINC001599816582 988436480 /nfs/dbraw/zinc/43/64/80/988436480.db2.gz ZUFWLFNISLSOEY-CSKARUKUSA-N -1 0 317.366 3.742 20 0 DHADRM CCc1ccccc1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001597604281 988480038 /nfs/dbraw/zinc/48/00/38/988480038.db2.gz KKUDKPCVKSEHOT-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CCc1ccccc1CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001597609556 988496483 /nfs/dbraw/zinc/49/64/83/988496483.db2.gz RSRQVMZORVQZGH-INIZCTEOSA-N -1 0 321.779 3.957 20 0 DHADRM CSc1cccc(NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001599823317 988552985 /nfs/dbraw/zinc/55/29/85/988552985.db2.gz MRIWHXFZQUQUNJ-GFCCVEGCSA-N -1 0 317.410 3.873 20 0 DHADRM CSc1cccc(NCc2cc(C(=O)[O-])c(C)n2C)c1C ZINC001599823477 988555158 /nfs/dbraw/zinc/55/51/58/988555158.db2.gz QSKKQNZYAJFJIN-UHFFFAOYSA-N -1 0 304.415 3.674 20 0 DHADRM CSc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1C ZINC001599824779 988579677 /nfs/dbraw/zinc/57/96/77/988579677.db2.gz PMSSFSOYVCSMMZ-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccccc1C(=O)[O-] ZINC001599826428 988604618 /nfs/dbraw/zinc/60/46/18/988604618.db2.gz PCDTWHXBOZQKBQ-LLVKDONJSA-N -1 0 315.394 3.598 20 0 DHADRM CCc1csc([C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001597639093 988630320 /nfs/dbraw/zinc/63/03/20/988630320.db2.gz DUYMXHPGHCKUGX-SSDOTTSWSA-N -1 0 311.794 3.625 20 0 DHADRM CCc1nc(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)sc1C(=O)[O-] ZINC001597676096 988789892 /nfs/dbraw/zinc/78/98/92/988789892.db2.gz RYTOYVYHLILFHR-BDAKNGLRSA-N -1 0 312.435 3.661 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001599847625 988959776 /nfs/dbraw/zinc/95/97/76/988959776.db2.gz VBZYXWIWEIHKMB-MWSHKUMGSA-N -1 0 319.401 3.712 20 0 DHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736417 989087490 /nfs/dbraw/zinc/08/74/90/989087490.db2.gz VVBMUURMESJNOG-SNVBAGLBSA-N -1 0 314.819 3.672 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C[C@@H]1CCC[C@H](C)C1)OC ZINC001597761523 989189495 /nfs/dbraw/zinc/18/94/95/989189495.db2.gz JFXQEIHMPNLZDZ-QWHCGFSZSA-N -1 0 309.406 3.730 20 0 DHADRM CCn1cc(Cl)cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001597894246 989753019 /nfs/dbraw/zinc/75/30/19/989753019.db2.gz WDGJUIKMNMMAAO-UHFFFAOYSA-N -1 0 317.732 3.577 20 0 DHADRM CC(C)(C)OCc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC001590396540 989923157 /nfs/dbraw/zinc/92/31/57/989923157.db2.gz WFCFOBVXVUPFDL-MRXNPFEDSA-N -1 0 314.385 3.635 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001590420593 989964805 /nfs/dbraw/zinc/96/48/05/989964805.db2.gz VVHRAUUKBYDSBW-QWHCGFSZSA-N -1 0 319.401 3.693 20 0 DHADRM CC(C)(C)Oc1ccccc1NCc1ncc(C(=O)[O-])s1 ZINC001590423001 989971851 /nfs/dbraw/zinc/97/18/51/989971851.db2.gz XPTBRDFSKAZCQJ-UHFFFAOYSA-N -1 0 306.387 3.631 20 0 DHADRM CC(C)(C)SCCCC(=O)OCc1csc(C(=O)[O-])c1 ZINC001590429463 989981270 /nfs/dbraw/zinc/98/12/70/989981270.db2.gz KENGINVSSZSGQH-UHFFFAOYSA-N -1 0 316.444 3.801 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CC23CCC3)s1 ZINC001590460855 990023582 /nfs/dbraw/zinc/02/35/82/990023582.db2.gz CIKBTWOSFYULAZ-SNVBAGLBSA-N -1 0 307.415 3.873 20 0 DHADRM CN(C(=O)/C(F)=C/C1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597991180 990090148 /nfs/dbraw/zinc/09/01/48/990090148.db2.gz CUGKXWGQSFSPCB-RTYFKUQISA-N -1 0 319.376 3.704 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001590499032 990111233 /nfs/dbraw/zinc/11/12/33/990111233.db2.gz OSLVICHXQWOVIE-BEFAXECRSA-N -1 0 317.429 3.747 20 0 DHADRM CC(C)(C)c1cnc(NCc2ccc(OCC(=O)[O-])cc2)s1 ZINC001590515959 990134019 /nfs/dbraw/zinc/13/40/19/990134019.db2.gz RYKJYVGLBRNYMW-UHFFFAOYSA-N -1 0 320.414 3.516 20 0 DHADRM CC(C)(C)c1coc(CN2CCCc3c(C(=O)[O-])cccc32)n1 ZINC001590526553 990135684 /nfs/dbraw/zinc/13/56/84/990135684.db2.gz BRAYCYSQQZTJGO-UHFFFAOYSA-N -1 0 314.385 3.623 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598003600 990143780 /nfs/dbraw/zinc/14/37/80/990143780.db2.gz ITRGFNFNQXDKDG-QPSCCSFWSA-N -1 0 309.450 3.551 20 0 DHADRM CN(C(=O)/C=C\C1CCCCCC1)c1ccccc1C(=O)[O-] ZINC001598005623 990154785 /nfs/dbraw/zinc/15/47/85/990154785.db2.gz AMVUOJUWWDKQSA-SEYXRHQNSA-N -1 0 301.386 3.874 20 0 DHADRM CN(C(=O)C=C1CCC(C)(C)CC1)c1ccccc1C(=O)[O-] ZINC001598005875 990156876 /nfs/dbraw/zinc/15/68/76/990156876.db2.gz GPMVFVHGEZYYCP-UHFFFAOYSA-N -1 0 301.386 3.874 20 0 DHADRM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([O-])c(Cl)c1 ZINC000116444115 1015541061 /nfs/dbraw/zinc/54/10/61/1015541061.db2.gz XZPSEZRWYNRZJR-UHFFFAOYSA-N -1 0 313.744 3.688 20 0 DHADRM CN(C(=O)CCCSC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC001598012515 990184078 /nfs/dbraw/zinc/18/40/78/990184078.db2.gz HKFGQJPZJALFCZ-HNNXBMFYSA-N -1 0 323.458 3.583 20 0 DHADRM CC(C)(C)c1ncc(C(=O)Nc2c(F)cccc2C(=O)[O-])s1 ZINC001590551112 990192080 /nfs/dbraw/zinc/19/20/80/990192080.db2.gz XGQLOWSWRHYQHD-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC001590617083 990296539 /nfs/dbraw/zinc/29/65/39/990296539.db2.gz YXUKJVXPINEXLT-UHFFFAOYSA-N -1 0 317.429 3.706 20 0 DHADRM CC(C)(CC(=O)NC[C@@H](CC1CC1)C(=O)[O-])C1CCCCC1 ZINC001590621251 990301081 /nfs/dbraw/zinc/30/10/81/990301081.db2.gz XLRCWIDOWISMEN-CQSZACIVSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(CC(=O)Nc1c(F)ccc(F)c1C(=O)[O-])CC(F)F ZINC001590621555 990302041 /nfs/dbraw/zinc/30/20/41/990302041.db2.gz DIDXSPQYIHVOEC-UHFFFAOYSA-N -1 0 321.270 3.673 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC001598056661 990318158 /nfs/dbraw/zinc/31/81/58/990318158.db2.gz AMXMPAMTSJPDNF-LLVKDONJSA-N -1 0 308.353 3.566 20 0 DHADRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(C1CC1)C1CC1 ZINC001598059819 990326843 /nfs/dbraw/zinc/32/68/43/990326843.db2.gz CSERKBZUAKWRAS-UHFFFAOYSA-N -1 0 322.792 3.691 20 0 DHADRM CC(C)(CC(=O)OC1CCC(C(=O)[O-])CC1)CC(F)(F)F ZINC001590649334 990338939 /nfs/dbraw/zinc/33/89/39/990338939.db2.gz ZOSHESNMLQRZPV-UHFFFAOYSA-N -1 0 310.312 3.542 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598089744 990432095 /nfs/dbraw/zinc/43/20/95/990432095.db2.gz YRIIZIBACYNKNC-GJZGRUSLSA-N -1 0 303.402 3.672 20 0 DHADRM CN(C(=O)c1cccc2c1CCCC2)c1ccccc1C(=O)[O-] ZINC001598091435 990434899 /nfs/dbraw/zinc/43/48/99/990434899.db2.gz KBEGLESTRHTUQY-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CC(C)(COC(=O)C12CCC(C(=O)[O-])(CC1)C2)CC(F)(F)F ZINC001590783971 990601938 /nfs/dbraw/zinc/60/19/38/990601938.db2.gz XZPZFUCMOUZVGG-UHFFFAOYSA-N -1 0 322.323 3.543 20 0 DHADRM CC(C)(COC(=O)c1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC001590783968 990601973 /nfs/dbraw/zinc/60/19/73/990601973.db2.gz XTCARTAZNPTIFM-UHFFFAOYSA-N -1 0 322.254 3.659 20 0 DHADRM CC(C)(CSc1nnc(CCC2CCCCC2)o1)C(=O)[O-] ZINC001590820017 990652225 /nfs/dbraw/zinc/65/22/25/990652225.db2.gz DRHGBRXORXZIEQ-UHFFFAOYSA-N -1 0 312.435 3.785 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001590914954 990900444 /nfs/dbraw/zinc/90/04/44/990900444.db2.gz MWQHCHGRHRPXPF-ILXRZTDVSA-N -1 0 302.370 3.594 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001590922184 990917252 /nfs/dbraw/zinc/91/72/52/990917252.db2.gz TUEANRFRMLRASR-CYBMUJFWSA-N -1 0 304.390 3.950 20 0 DHADRM CC(C)C(C)(C)CSCC(=O)Nc1ccccc1C(=O)[O-] ZINC001590963326 991063956 /nfs/dbraw/zinc/06/39/56/991063956.db2.gz FGJLSORBDVNOGS-UHFFFAOYSA-N -1 0 309.431 3.739 20 0 DHADRM CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458031602 1015609834 /nfs/dbraw/zinc/60/98/34/1015609834.db2.gz RZKHRZUOTTVNMQ-GOEBONIOSA-N -1 0 313.372 3.940 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001590969850 991097932 /nfs/dbraw/zinc/09/79/32/991097932.db2.gz JMPIYGOUHUMAGO-SSDOTTSWSA-N -1 0 304.173 3.922 20 0 DHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001590980914 991135610 /nfs/dbraw/zinc/13/56/10/991135610.db2.gz MKJVHSBFWMEHOM-MRXNPFEDSA-N -1 0 319.445 3.509 20 0 DHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCCC1(C)C ZINC001598293849 991212410 /nfs/dbraw/zinc/21/24/10/991212410.db2.gz SCOMCKAXUWXHDV-ZDUSSCGKSA-N -1 0 318.417 3.606 20 0 DHADRM CC(C)[C@@H](NCc1ncc(C(=O)[O-])s1)c1ccccc1Cl ZINC001591033029 991344989 /nfs/dbraw/zinc/34/49/89/991344989.db2.gz LBISJADPVDOKPB-CQSZACIVSA-N -1 0 324.833 3.982 20 0 DHADRM CC(C)[C@H](c1nc(-c2cc(C(=O)[O-])co2)no1)c1ccccc1 ZINC001591057435 991466076 /nfs/dbraw/zinc/46/60/76/991466076.db2.gz DOMHAQXFSZDJAY-AWEZNQCLSA-N -1 0 312.325 3.816 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591061295 991498053 /nfs/dbraw/zinc/49/80/53/991498053.db2.gz GBSKLRZTVHBDDZ-GJYPPUQNSA-N -1 0 316.397 3.988 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC001591062003 991506367 /nfs/dbraw/zinc/50/63/67/991506367.db2.gz QTPHUBMUDCQWSU-UHFFFAOYSA-N -1 0 310.419 3.736 20 0 DHADRM CC(C)C1CCC(CNC(=O)c2ccsc2CC(=O)[O-])CC1 ZINC001591080792 991586490 /nfs/dbraw/zinc/58/64/90/991586490.db2.gz CZNGNKIGAZTMIX-UHFFFAOYSA-N -1 0 323.458 3.567 20 0 DHADRM CC(C)C1CCC(NC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC001591080938 991588734 /nfs/dbraw/zinc/58/87/34/991588734.db2.gz FOZOJXGGHHWPJP-UHFFFAOYSA-N -1 0 310.419 3.783 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCCC(=O)[O-])CC1 ZINC001591082007 991596418 /nfs/dbraw/zinc/59/64/18/991596418.db2.gz OYYLALDHVFYUAY-HUUCEWRRSA-N -1 0 312.454 3.536 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001591089099 991629457 /nfs/dbraw/zinc/62/94/57/991629457.db2.gz RIXWULZUZJAWPR-MLGOLLRUSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1cncc(C(=O)[O-])n1 ZINC001591095276 991678387 /nfs/dbraw/zinc/67/83/87/991678387.db2.gz UGEAYJIMVLDQRA-DYVFJYSZSA-N -1 0 311.385 3.546 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2ccc(C(=O)[O-])s2)CC12CCCCC2 ZINC001591098301 991698437 /nfs/dbraw/zinc/69/84/37/991698437.db2.gz BHMBVSABMTVYHL-AWEZNQCLSA-N -1 0 321.442 3.877 20 0 DHADRM CC(C)[C@@H]1c2ccccc2CCN1Cc1ncc(C(=O)[O-])s1 ZINC001591104607 991729520 /nfs/dbraw/zinc/72/95/20/991729520.db2.gz IIZKJBOTNCBNPA-MRXNPFEDSA-N -1 0 316.426 3.597 20 0 DHADRM COc1nccc2c(NCc3ccsc3C(=O)[O-])cccc12 ZINC001599736994 991789450 /nfs/dbraw/zinc/78/94/50/991789450.db2.gz XWUBOLVHEUJPSI-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM CC(C)C[C@H](C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591130097 991821058 /nfs/dbraw/zinc/82/10/58/991821058.db2.gz FPMIAKKXQPKCIO-LRDDRELGSA-N -1 0 304.386 3.988 20 0 DHADRM CC(C)C[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001591131783 991829658 /nfs/dbraw/zinc/82/96/58/991829658.db2.gz YXWABUPTZJCSKD-MRVPVSSYSA-N -1 0 301.745 3.798 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001591131785 991829898 /nfs/dbraw/zinc/82/98/98/991829898.db2.gz YXWABUPTZJCSKD-QMMMGPOBSA-N -1 0 301.745 3.798 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001591134279 991838742 /nfs/dbraw/zinc/83/87/42/991838742.db2.gz RSTGMXCPQDDURU-SNVBAGLBSA-N -1 0 312.435 3.516 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001591142823 991867257 /nfs/dbraw/zinc/86/72/57/991867257.db2.gz JRUWUQYSPNDFHB-IBGZPJMESA-N -1 0 319.445 3.811 20 0 DHADRM CN(C[C@@H]1CCCOC1)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001598461192 991955115 /nfs/dbraw/zinc/95/51/15/991955115.db2.gz DVGMAAFEKTWEOK-VIFPVBQESA-N -1 0 318.200 3.554 20 0 DHADRM CC(C)C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001591190780 991996504 /nfs/dbraw/zinc/99/65/04/991996504.db2.gz AHDXKFAHCIMRRC-LBPRGKRZSA-N -1 0 312.822 3.818 20 0 DHADRM CC(C)C[C@H](OC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001591191219 992001407 /nfs/dbraw/zinc/00/14/07/992001407.db2.gz ULHHSASVJGNRBG-ZDUSSCGKSA-N -1 0 321.760 3.544 20 0 DHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591191541 992002446 /nfs/dbraw/zinc/00/24/46/992002446.db2.gz AKBVZDUTHCRCCL-QGZVFWFLSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)CC1(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCC1 ZINC001591192450 992007416 /nfs/dbraw/zinc/00/74/16/992007416.db2.gz NFGNXYBQNHVBRC-UHFFFAOYSA-N -1 0 324.446 3.660 20 0 DHADRM CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001591192944 992007947 /nfs/dbraw/zinc/00/79/47/992007947.db2.gz RDONDMKIGSHUMP-KRWDZBQOSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)CC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CCC1 ZINC001591192506 992008233 /nfs/dbraw/zinc/00/82/33/992008233.db2.gz PMUHFOUNTHAVGH-MRXNPFEDSA-N -1 0 323.477 3.990 20 0 DHADRM CC(C)CC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CCC1 ZINC001591192505 992008249 /nfs/dbraw/zinc/00/82/49/992008249.db2.gz PMUHFOUNTHAVGH-INIZCTEOSA-N -1 0 323.477 3.990 20 0 DHADRM CC(C)C[C@H]1CCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591207037 992037682 /nfs/dbraw/zinc/03/76/82/992037682.db2.gz BJTJERZUNKWLHS-SNVBAGLBSA-N -1 0 316.323 3.814 20 0 DHADRM CC(C)CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)C(C)(C)C ZINC001591221444 992086067 /nfs/dbraw/zinc/08/60/67/992086067.db2.gz JVWXUMZRWMUCGO-CQSZACIVSA-N -1 0 321.421 3.752 20 0 DHADRM CC(C)CC[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(C)(C)C ZINC001591222087 992091510 /nfs/dbraw/zinc/09/15/10/992091510.db2.gz QUSVGIZUQAVSBV-SOIVGHGOSA-N -1 0 321.417 3.958 20 0 DHADRM CC(C)CCC[C@H](C)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001591229830 992114476 /nfs/dbraw/zinc/11/44/76/992114476.db2.gz WJDHBZCCWCNVQN-ZSZQSSIHSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001591266307 992178572 /nfs/dbraw/zinc/17/85/72/992178572.db2.gz BEPFYDYCDDXIAZ-MRXNPFEDSA-N -1 0 316.401 3.570 20 0 DHADRM CC(C)CN(C(=O)CC/C=C/c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281201 992214030 /nfs/dbraw/zinc/21/40/30/992214030.db2.gz KPLIQQBXZAPQHE-XYOKQWHBSA-N -1 0 317.429 3.828 20 0 DHADRM CC(C)CN(Cc1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001591343058 992323288 /nfs/dbraw/zinc/32/32/88/992323288.db2.gz PEPNUDOURGVLRK-UHFFFAOYSA-N -1 0 308.765 3.689 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001591423427 992510369 /nfs/dbraw/zinc/51/03/69/992510369.db2.gz GKLUTRGFVNKRJW-LBPRGKRZSA-N -1 0 318.200 3.565 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591441747 992537972 /nfs/dbraw/zinc/53/79/72/992537972.db2.gz MKZGEIWEDWASDY-HZPDHXFCSA-N -1 0 317.429 3.561 20 0 DHADRM CC(C)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001591483168 992601238 /nfs/dbraw/zinc/60/12/38/992601238.db2.gz AZFFHOVRQZSPAK-JKSUJKDBSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)Cc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591488276 992615845 /nfs/dbraw/zinc/61/58/45/992615845.db2.gz FEVNLIHCRARGST-UHFFFAOYSA-N -1 0 315.344 3.975 20 0 DHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598524905 992707168 /nfs/dbraw/zinc/70/71/68/992707168.db2.gz ZNCSEYKBUFTURJ-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM CC(C)Cn1ncc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1C1CC1 ZINC001591533543 992711251 /nfs/dbraw/zinc/71/12/51/992711251.db2.gz LNOAZTDLKHNBCU-VHDGCEQUSA-N -1 0 319.449 3.718 20 0 DHADRM CC(C)N(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C)c1ccsc1 ZINC001591539224 992720259 /nfs/dbraw/zinc/72/02/59/992720259.db2.gz WXSFSGHOQWGCAO-GFCCVEGCSA-N -1 0 311.447 3.937 20 0 DHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1 ZINC001591543537 992727414 /nfs/dbraw/zinc/72/74/14/992727414.db2.gz LPWBREIZBYVLDC-GFCCVEGCSA-N -1 0 301.342 3.590 20 0 DHADRM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)Cc1ccccn1 ZINC001598531156 992782130 /nfs/dbraw/zinc/78/21/30/992782130.db2.gz XICRNMYFQFSYOB-UHFFFAOYSA-N -1 0 322.364 3.672 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896807564 1015752114 /nfs/dbraw/zinc/75/21/14/1015752114.db2.gz XDZOZLWKBSYSCN-SSDOTTSWSA-N -1 0 305.548 3.757 20 0 DHADRM CC(C)Sc1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262325320 1015765891 /nfs/dbraw/zinc/76/58/91/1015765891.db2.gz SZPCDUYHRQGNDH-UHFFFAOYSA-N -1 0 321.442 3.514 20 0 DHADRM COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001599583428 993581266 /nfs/dbraw/zinc/58/12/66/993581266.db2.gz RCYWQIXLJYAOLD-QWRGUYRKSA-N -1 0 321.348 3.846 20 0 DHADRM COc1ccc(NC(=O)[C@H](C)CCC(C)(C)C)c(C(=O)[O-])c1 ZINC001599589786 993664189 /nfs/dbraw/zinc/66/41/89/993664189.db2.gz FMQUFYRGWBSGEP-LLVKDONJSA-N -1 0 307.390 3.794 20 0 DHADRM COc1ccc(N[C@H](C(=O)[O-])C2CC2)cc1Cc1ccccc1 ZINC001599596672 993757267 /nfs/dbraw/zinc/75/72/67/993757267.db2.gz PELRVVSFYOBMMH-SFHVURJKSA-N -1 0 311.381 3.561 20 0 DHADRM COc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1SC ZINC001599598081 993774552 /nfs/dbraw/zinc/77/45/52/993774552.db2.gz GCSGQYWUCBCNKN-UHFFFAOYSA-N -1 0 324.789 3.907 20 0 DHADRM COc1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)cc1OC ZINC001599599273 993791324 /nfs/dbraw/zinc/79/13/24/993791324.db2.gz OHQCEYBTFURBTJ-SECBINFHSA-N -1 0 307.371 3.637 20 0 DHADRM CCOc1cc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc(Cl)c1O ZINC000458162873 1015809187 /nfs/dbraw/zinc/80/91/87/1015809187.db2.gz YHVGBPVALJJMAJ-BBRMVZONSA-N -1 0 311.809 3.609 20 0 DHADRM C[C@H](N[C@H](CF)c1ccc(F)cc1)c1cc(C(=O)[O-])cs1 ZINC001593209214 994236643 /nfs/dbraw/zinc/23/66/43/994236643.db2.gz LKPGKZJPHJBNGP-TVQRCGJNSA-N -1 0 311.353 3.947 20 0 DHADRM COc1ccc2[nH]c(SC[C@H]3CCCC[C@H]3C(=O)[O-])nc2c1 ZINC001599635016 994273732 /nfs/dbraw/zinc/27/37/32/994273732.db2.gz MCEJLERWPLAKKV-ZYHUDNBSSA-N -1 0 320.414 3.555 20 0 DHADRM COc1ccc2cc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)ccc2c1 ZINC001599635109 994275824 /nfs/dbraw/zinc/27/58/24/994275824.db2.gz ZGWDDTCKEYIGFX-DFEHZGFQSA-N -1 0 311.381 3.760 20 0 DHADRM COc1cccc(-c2csc(-c3ccc(C(=O)[O-])cc3)n2)n1 ZINC001599638778 994327773 /nfs/dbraw/zinc/32/77/73/994327773.db2.gz FBOODPRGCVXSEP-UHFFFAOYSA-N -1 0 312.350 3.579 20 0 DHADRM Cc1ccc([C@@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])cc1 ZINC000277033310 1015856284 /nfs/dbraw/zinc/85/62/84/1015856284.db2.gz PZMJVGWNUAVKPN-MRXNPFEDSA-N -1 0 318.442 3.566 20 0 DHADRM COc1ccc([C@@H](C)N(C)C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000127423390 1015881396 /nfs/dbraw/zinc/88/13/96/1015881396.db2.gz PJUZVEXXJYHTFM-SNVBAGLBSA-N -1 0 321.323 3.512 20 0 DHADRM CNc1ccccc1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001598679829 994909197 /nfs/dbraw/zinc/90/91/97/994909197.db2.gz OMVCGGZRRZVETJ-UHFFFAOYSA-N -1 0 307.353 3.587 20 0 DHADRM Cc1c(Cl)cc(F)c(NC(=O)c2ncncc2Cl)c1F ZINC000342056005 1015900811 /nfs/dbraw/zinc/90/08/11/1015900811.db2.gz ZZMJKOXCWAKYNB-UHFFFAOYSA-N -1 0 318.110 3.622 20 0 DHADRM C[C@@H](Nc1cccc2cc(C(=O)[O-])sc21)C(=O)OC(C)(C)C ZINC001593366939 995055692 /nfs/dbraw/zinc/05/56/92/995055692.db2.gz ITEFZJOBAYSZQH-SECBINFHSA-N -1 0 321.398 3.742 20 0 DHADRM C[C@@H](Oc1ccccc1N[C@@H](C)[C@H]1C[C@H]1C(=O)[O-])C(F)(F)F ZINC001593367726 995059712 /nfs/dbraw/zinc/05/97/12/995059712.db2.gz QTUYPJFTAYWIHB-LNFKQOIKSA-N -1 0 317.307 3.537 20 0 DHADRM C[C@@](O)(C(=O)[O-])c1cccc(-c2csc(C(F)(F)F)c2)c1 ZINC001593375721 995081758 /nfs/dbraw/zinc/08/17/58/995081758.db2.gz KGADZFGQEOJZDX-ZDUSSCGKSA-N -1 0 316.300 3.726 20 0 DHADRM C[C@H](OC(=O)C(C1CCC1)C1CCC1)c1ccc(C(=O)[O-])o1 ZINC001593485799 995449444 /nfs/dbraw/zinc/44/94/44/995449444.db2.gz UNTYUWQUQDPJDC-JTQLQIEISA-N -1 0 306.358 3.798 20 0 DHADRM C[C@H](OC(=O)C1(Cc2ccccc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593495971 995471297 /nfs/dbraw/zinc/47/12/97/995471297.db2.gz DEFTUJVNSYAFJY-LBPRGKRZSA-N -1 0 314.337 3.605 20 0 DHADRM C[C@H](OC(=O)C/C=C\c1cccc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593516639 995548538 /nfs/dbraw/zinc/54/85/38/995548538.db2.gz UAOKEISWSHZAQC-MZBZXASESA-N -1 0 318.300 3.825 20 0 DHADRM C[C@H](OC(=O)CCc1ccccc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593527147 995570613 /nfs/dbraw/zinc/57/06/13/995570613.db2.gz CUPWAXHNVZOARX-JTQLQIEISA-N -1 0 322.744 3.868 20 0 DHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cc(F)cc(F)c1 ZINC001593537404 995603645 /nfs/dbraw/zinc/60/36/45/995603645.db2.gz RFSDMUFKGAUEMH-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)c1cccc2ccccc21 ZINC001593585564 995702869 /nfs/dbraw/zinc/70/28/69/995702869.db2.gz ITPVGPPSBXJLRO-LBPRGKRZSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@H](OC(=O)c1cscc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593601044 995754301 /nfs/dbraw/zinc/75/43/01/995754301.db2.gz DSFUQNXSGYLBDB-QMMMGPOBSA-N -1 0 323.370 3.650 20 0 DHADRM C[C@@H](Oc1ccc(CN(C)c2ccc3cc[nH]c3c2)cc1)C(=O)[O-] ZINC001593615085 995829667 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C[C@H](SCc1nc(C(=O)[O-])cs1)c1nc2ccccc2o1 ZINC001593663312 996044613 /nfs/dbraw/zinc/04/46/13/996044613.db2.gz LHKLSCKNQQHRGV-QMMMGPOBSA-N -1 0 320.395 3.977 20 0 DHADRM C[C@@H](Sc1ncnc2scc(-c3cccs3)c21)C(=O)[O-] ZINC001593678609 996093514 /nfs/dbraw/zinc/09/35/14/996093514.db2.gz UYSKUWNBGXZRCH-SSDOTTSWSA-N -1 0 322.436 3.985 20 0 DHADRM C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593679542 996101656 /nfs/dbraw/zinc/10/16/56/996101656.db2.gz LNRJKXWXKNVLQP-ZCFIWIBFSA-N -1 0 324.308 3.986 20 0 DHADRM C[C@@H](Sc1nc2cccc(F)c2s1)c1nc(C(=O)[O-])co1 ZINC001593679999 996105160 /nfs/dbraw/zinc/10/51/60/996105160.db2.gz SXOKXKDUHOUFBD-ZCFIWIBFSA-N -1 0 324.358 3.975 20 0 DHADRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236582777 1016007787 /nfs/dbraw/zinc/00/77/87/1016007787.db2.gz HMXPXCVTTRISGH-UHFFFAOYSA-N -1 0 319.382 3.876 20 0 DHADRM C[C@@H](c1cccc(-c2cc(C(=O)[O-])ccc2CO)c1)C(F)F ZINC001593698449 996164712 /nfs/dbraw/zinc/16/47/12/996164712.db2.gz 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/nfs/dbraw/zinc/78/82/92/1022788292.db2.gz YDKHUXHWWJFXSR-OAHLLOKOSA-N -1 0 316.426 3.553 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000538496309 1033080429 /nfs/dbraw/zinc/08/04/29/1033080429.db2.gz BSISWAWPSXGEKW-UHFFFAOYSA-N -1 0 324.471 3.887 20 0 DHADRM CC[C@H](C)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621545296 1022789519 /nfs/dbraw/zinc/78/95/19/1022789519.db2.gz OITXEZFFTGLLOY-WMLDXEAASA-N -1 0 317.429 3.530 20 0 DHADRM CC[C@@H](C)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621545294 1022789644 /nfs/dbraw/zinc/78/96/44/1022789644.db2.gz OITXEZFFTGLLOY-PBHICJAKSA-N -1 0 317.429 3.530 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000621599275 1022794318 /nfs/dbraw/zinc/79/43/18/1022794318.db2.gz UJTKZTVZSWQESP-RRQGHBQHSA-N -1 0 317.429 3.502 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)C1CCCCCC1 ZINC000621588513 1022795861 /nfs/dbraw/zinc/79/58/61/1022795861.db2.gz ZMKCFGHJQMVKQV-DLBZAZTESA-N -1 0 315.413 3.774 20 0 DHADRM Cc1cc2occ(C(=O)N(CC(=O)[O-])C3CCCC3)c2cc1C ZINC000621576199 1022795939 /nfs/dbraw/zinc/79/59/39/1022795939.db2.gz BMXDBDIZUCHQBP-UHFFFAOYSA-N -1 0 315.369 3.519 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2scc(C(=O)[O-])c2C)c1 ZINC000584848769 1022808405 /nfs/dbraw/zinc/80/84/05/1022808405.db2.gz AUIJUOVXEBLTQM-JTQLQIEISA-N -1 0 306.383 3.835 20 0 DHADRM Cc1oc(C(C)C)nc1C(=O)Nc1nnc(CCC(C)C)s1 ZINC000617094300 1022842808 /nfs/dbraw/zinc/84/28/08/1022842808.db2.gz IFAMBVYUGKTDTO-UHFFFAOYSA-N -1 0 322.434 3.799 20 0 DHADRM CCCCc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000621809072 1022891337 /nfs/dbraw/zinc/89/13/37/1022891337.db2.gz IYUUFMCPPWDZFS-UHFFFAOYSA-N -1 0 315.142 3.686 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)/C=C/C1CCCC1 ZINC000856979742 1022913634 /nfs/dbraw/zinc/91/36/34/1022913634.db2.gz CNVDCZZZLMDTHS-GABYWQGASA-N -1 0 313.397 3.550 20 0 DHADRM Cc1cn(-c2ccc(Nc3ccc(C(=O)[O-])c(C)c3)cc2)cn1 ZINC001211654890 1022931954 /nfs/dbraw/zinc/93/19/54/1022931954.db2.gz CKWULQPHGVBBIB-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM COc1cc(OC)c(F)c(Nc2ccc(C(=O)[O-])c(C)c2)c1F ZINC001211654931 1022937988 /nfs/dbraw/zinc/93/79/88/1022937988.db2.gz FLKJCQUGFADYAW-UHFFFAOYSA-N -1 0 323.295 3.732 20 0 DHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211655136 1022948278 /nfs/dbraw/zinc/94/82/78/1022948278.db2.gz OIRWGNJREQECHE-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM CC(C)Oc1cccc([N-]c2nnc(-c3ccco3)o2)c1F ZINC001212318100 1022972724 /nfs/dbraw/zinc/97/27/24/1022972724.db2.gz NZNFFNJBSXJNOQ-UHFFFAOYSA-N -1 0 303.293 4.000 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000659160303 1023078642 /nfs/dbraw/zinc/07/86/42/1023078642.db2.gz IPSLVGMWQRAWNZ-OCCSQVGLSA-N -1 0 301.386 3.784 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000386996297 1023104570 /nfs/dbraw/zinc/10/45/70/1023104570.db2.gz DMDWDAVRSJRCBQ-AWEZNQCLSA-N -1 0 303.402 3.631 20 0 DHADRM O=C(/C=C/c1cncc(Br)c1)c1ccc(F)cc1[O-] ZINC000184758353 1023106487 /nfs/dbraw/zinc/10/64/87/1023106487.db2.gz WYTLEYKSBQGTSY-DAFODLJHSA-N -1 0 322.133 3.585 20 0 DHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769246406 1023107730 /nfs/dbraw/zinc/10/77/30/1023107730.db2.gz XBWZAKXZDKUUAT-LLVKDONJSA-N -1 0 312.394 3.934 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)s1 ZINC000622350956 1023124459 /nfs/dbraw/zinc/12/44/59/1023124459.db2.gz XSLFPXCWULIYIW-UHFFFAOYSA-N -1 0 323.487 3.869 20 0 DHADRM Cc1ccc(C(C)(C)CNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000622353041 1023124517 /nfs/dbraw/zinc/12/45/17/1023124517.db2.gz YXKHYYURSQVCMA-UHFFFAOYSA-N -1 0 324.833 3.518 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(C)=C2CCC2)cc1 ZINC000909325491 1023146939 /nfs/dbraw/zinc/14/69/39/1023146939.db2.gz KZTXELJDJXVYPB-OAHLLOKOSA-N -1 0 319.426 3.541 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909328166 1023168012 /nfs/dbraw/zinc/16/80/12/1023168012.db2.gz YFONHEYNZZMSNX-SSCKCOOKSA-N -1 0 321.442 3.787 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H](F)c1ccccc1 ZINC000769606455 1023186297 /nfs/dbraw/zinc/18/62/97/1023186297.db2.gz KMUMANJWNHNBAM-ZDUSSCGKSA-N -1 0 302.330 3.766 20 0 DHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769694921 1023195901 /nfs/dbraw/zinc/19/59/01/1023195901.db2.gz VMMWIHKDKWFVIP-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM COc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1F ZINC000769725911 1023201476 /nfs/dbraw/zinc/20/14/76/1023201476.db2.gz OFKGGPOHXHNACU-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM O=C(Nc1ccnn1C1CCCC1)c1c([O-])cccc1Cl ZINC000769754925 1023203161 /nfs/dbraw/zinc/20/31/61/1023203161.db2.gz SMERTGFEIJWZFI-UHFFFAOYSA-N -1 0 305.765 3.610 20 0 DHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211658144 1023226139 /nfs/dbraw/zinc/22/61/39/1023226139.db2.gz BZILQNWDQPZNCX-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000236702549 1023240574 /nfs/dbraw/zinc/24/05/74/1023240574.db2.gz DQMBZQNBQPUEAX-GOSISDBHSA-N -1 0 316.401 3.711 20 0 DHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1c([O-])cccc1Cl ZINC000769947681 1023242536 /nfs/dbraw/zinc/24/25/36/1023242536.db2.gz JLVVWNQOWRJLAV-NSHDSACASA-N -1 0 317.772 3.782 20 0 DHADRM Cc1ccc(C)c(C(=O)NCC2(CC(C)C)CC2)c1C(=O)[O-] ZINC000392230241 1023293756 /nfs/dbraw/zinc/29/37/56/1023293756.db2.gz WIIHYFLRNQKWCV-UHFFFAOYSA-N -1 0 303.402 3.558 20 0 DHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2[O-])C1 ZINC000123876498 1023451988 /nfs/dbraw/zinc/45/19/88/1023451988.db2.gz FVHKLPVQQPOUOO-KGLIPLIRSA-N -1 0 313.372 3.858 20 0 DHADRM CCOC(=O)c1cccnc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242849954 1023684721 /nfs/dbraw/zinc/68/47/21/1023684721.db2.gz XWLQIGNYVNCKRD-UHFFFAOYSA-N -1 0 312.152 3.938 20 0 DHADRM O=C(c1cccc(F)c1[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC001126133503 1023728375 /nfs/dbraw/zinc/72/83/75/1023728375.db2.gz FFKCARTYFRTEMV-UHFFFAOYSA-N -1 0 317.335 3.723 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)CC ZINC000909377814 1023754234 /nfs/dbraw/zinc/75/42/34/1023754234.db2.gz WEWJHCDMUACKNI-KKJPFTOVSA-N -1 0 301.386 3.540 20 0 DHADRM Cc1sccc1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000787123438 1023763914 /nfs/dbraw/zinc/76/39/14/1023763914.db2.gz VYYASQCSVNDCGH-UHFFFAOYSA-N -1 0 304.396 3.668 20 0 DHADRM CC(C)(C[N-]C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000787463491 1023796776 /nfs/dbraw/zinc/79/67/76/1023796776.db2.gz HIXRJKMBUWPUHJ-UHFFFAOYSA-N -1 0 313.241 3.662 20 0 DHADRM Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000048652777 1023801680 /nfs/dbraw/zinc/80/16/80/1023801680.db2.gz LMAPYIBTBAHJBY-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)s1 ZINC000048653405 1023802983 /nfs/dbraw/zinc/80/29/83/1023802983.db2.gz JZPBETLTGRDREE-UHFFFAOYSA-N -1 0 307.440 3.600 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C/c1cccs1 ZINC000788088685 1023850287 /nfs/dbraw/zinc/85/02/87/1023850287.db2.gz ONRITKUWUYVUTH-AATRIKPKSA-N -1 0 301.367 3.715 20 0 DHADRM COc1c(C)ccc(NC(=O)c2cc(Cl)ccc2[O-])c1C ZINC000538746781 1033167899 /nfs/dbraw/zinc/16/78/99/1033167899.db2.gz BCOXSMPIYOUWKP-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)C2CC(C(=O)[O-])C2)cc1 ZINC000788722708 1023926660 /nfs/dbraw/zinc/92/66/60/1023926660.db2.gz AXDLFPHIYYOMBP-UHFFFAOYSA-N -1 0 307.415 3.627 20 0 DHADRM FC(F)OC1CCC(N=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000643190543 1023982184 /nfs/dbraw/zinc/98/21/84/1023982184.db2.gz URAMMLCVNLPWJT-UHFFFAOYSA-N -1 0 317.405 3.580 20 0 DHADRM CCN(Cc1nc(-c2ccccc2Cl)cs1)[C@@H](C)C(=O)[O-] ZINC000662218224 1023991766 /nfs/dbraw/zinc/99/17/66/1023991766.db2.gz YYCULDSFYXXZJV-JTQLQIEISA-N -1 0 324.833 3.759 20 0 DHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000194385096 1024000880 /nfs/dbraw/zinc/00/08/80/1024000880.db2.gz IBBAVJLGDFCSPO-HIFPTAJRSA-N -1 0 315.369 3.501 20 0 DHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cnc2ccccc2c1 ZINC000337795274 1033179603 /nfs/dbraw/zinc/17/96/03/1033179603.db2.gz CWIPNNCFZFQBAX-UHFFFAOYSA-N -1 0 323.377 3.517 20 0 DHADRM CCSCc1cccc(NC(=O)[C@](C)(CC)CC(=O)[O-])c1 ZINC000601988191 1024058903 /nfs/dbraw/zinc/05/89/03/1024058903.db2.gz ZHHCVBKBILKJGW-MRXNPFEDSA-N -1 0 309.431 3.769 20 0 DHADRM CCSCc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000601995060 1024059684 /nfs/dbraw/zinc/05/96/84/1024059684.db2.gz RMFPUDAYEVUGPD-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882771311 1024128694 /nfs/dbraw/zinc/12/86/94/1024128694.db2.gz XFXXGSLPMUITLP-HJWRWDBZSA-N -1 0 320.439 3.742 20 0 DHADRM Cc1nc(Cl)ccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000130769247 1024217011 /nfs/dbraw/zinc/21/70/11/1024217011.db2.gz VRSJGZRKNPPTBQ-UHFFFAOYSA-N -1 0 319.773 3.726 20 0 DHADRM COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000263629363 1024228795 /nfs/dbraw/zinc/22/87/95/1024228795.db2.gz XGNNDSJWMLSHMO-UHFFFAOYSA-N -1 0 306.705 3.713 20 0 DHADRM Cc1nc([N-]S(=O)(=O)c2csc3ccccc23)sc1C ZINC000350116400 1024236338 /nfs/dbraw/zinc/23/63/38/1024236338.db2.gz CDSKECYKUCALOP-UHFFFAOYSA-N -1 0 324.452 3.775 20 0 DHADRM CCN(CC)c1ncc(/C=C/c2nc(C(=O)[O-])c(C)s2)s1 ZINC000453030012 1024293762 /nfs/dbraw/zinc/29/37/62/1024293762.db2.gz SZFDJUKCOXSAIM-VOTSOKGWSA-N -1 0 323.443 3.623 20 0 DHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000006919582 1024298546 /nfs/dbraw/zinc/29/85/46/1024298546.db2.gz AUYCBDQLMWBNTD-UHFFFAOYSA-N -1 0 311.790 3.540 20 0 DHADRM O=C([O-])/C=C\c1cnc(/C=C\c2ccnn2-c2ccccc2)s1 ZINC000790600286 1024333800 /nfs/dbraw/zinc/33/38/00/1024333800.db2.gz JLOFFNNHLGAHDW-VRHVFUOLSA-N -1 0 323.377 3.597 20 0 DHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000317611971 1024565704 /nfs/dbraw/zinc/56/57/04/1024565704.db2.gz SJLAFKZVVHLBTA-DAXSKMNVSA-N -1 0 315.756 3.999 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000348530371 1024583957 /nfs/dbraw/zinc/58/39/57/1024583957.db2.gz ANKRGFRHCGMBDM-UHFFFAOYSA-N -1 0 314.728 3.552 20 0 DHADRM O=C(Nc1csnc1-c1ccccc1)c1cccc(F)c1[O-] ZINC001126305904 1024594644 /nfs/dbraw/zinc/59/46/44/1024594644.db2.gz 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CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(SC)c1 ZINC000319821905 1024787906 /nfs/dbraw/zinc/78/79/06/1024787906.db2.gz WAGVJAWCLGOFMP-INIZCTEOSA-N -1 0 322.430 3.660 20 0 DHADRM O=C([O-])c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000013166705 1024813947 /nfs/dbraw/zinc/81/39/47/1024813947.db2.gz AIUDHRDDIRKAPU-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262088067 1024828071 /nfs/dbraw/zinc/82/80/71/1024828071.db2.gz LGOGNJABYCRTKJ-CABCVRRESA-N -1 0 303.402 3.983 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(SC)cc2)s[n-]1 ZINC000337942348 1033240347 /nfs/dbraw/zinc/24/03/47/1033240347.db2.gz TYUODUSQSPNLML-ZJUUUORDSA-N -1 0 309.460 3.562 20 0 DHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000054422649 1024861599 /nfs/dbraw/zinc/86/15/99/1024861599.db2.gz ZFVFIBJQRUNGKD-WYMLVPIESA-N -1 0 315.394 3.744 20 0 DHADRM COC1(C[C@@H](C)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCC1 ZINC000859819754 1033243244 /nfs/dbraw/zinc/24/32/44/1033243244.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1 ZINC000614863649 1025909662 /nfs/dbraw/zinc/90/96/62/1025909662.db2.gz QDSXDWWPJNSLDH-UHFFFAOYSA-N -1 0 319.426 3.831 20 0 DHADRM Cc1sc(/C=C\c2c(Cl)nc3ccccn32)nc1C(=O)[O-] ZINC000806572530 1025927992 /nfs/dbraw/zinc/92/79/92/1025927992.db2.gz IIIRFERDZNNIMF-WAYWQWQTSA-N -1 0 319.773 3.621 20 0 DHADRM CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000237052484 1026002245 /nfs/dbraw/zinc/00/22/45/1026002245.db2.gz VKYIESWIDOSLQF-HNNXBMFYSA-N -1 0 317.772 3.919 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000236987596 1026007610 /nfs/dbraw/zinc/00/76/10/1026007610.db2.gz JQSBMYWRRNDURF-CQSZACIVSA-N -1 0 305.418 3.504 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237492452 1026015912 /nfs/dbraw/zinc/01/59/12/1026015912.db2.gz KXNCLOPYSXIMFG-WMLDXEAASA-N -1 0 317.429 3.925 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000237902857 1026021192 /nfs/dbraw/zinc/02/11/92/1026021192.db2.gz 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CCC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811822358 1027103902 /nfs/dbraw/zinc/10/39/02/1027103902.db2.gz GIOUXIQXDNAISA-NSHDSACASA-N -1 0 309.793 3.691 20 0 DHADRM COCC[C@H](Cc1cccc(-c2cccc(C#N)c2)c1)C(=O)[O-] ZINC000572258506 1027186620 /nfs/dbraw/zinc/18/66/20/1027186620.db2.gz PSOJVEGDVLWIKT-GOSISDBHSA-N -1 0 309.365 3.505 20 0 DHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1ccc(C2CC2)cc1 ZINC000295322338 1027196794 /nfs/dbraw/zinc/19/67/94/1027196794.db2.gz OIFSFNOXVXHMQH-UHFFFAOYSA-N -1 0 320.439 3.699 20 0 DHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1cccc(OC)c1 ZINC000572424081 1027200899 /nfs/dbraw/zinc/20/08/99/1027200899.db2.gz ZCUOSQJJCXNOIY-UHFFFAOYSA-N -1 0 316.353 3.858 20 0 DHADRM COc1ccc(F)cc1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000812243083 1027223773 /nfs/dbraw/zinc/22/37/73/1027223773.db2.gz CBQQGLMZVOTAEV-VPEWXDGESA-N -1 0 305.330 3.559 20 0 DHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]OC/C=C\Cl ZINC000812399614 1027261359 /nfs/dbraw/zinc/26/13/59/1027261359.db2.gz 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1027329899 /nfs/dbraw/zinc/32/98/99/1027329899.db2.gz JKGUJTIWWVYBOQ-UHFFFAOYSA-N -1 0 317.360 3.639 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000573864842 1027338115 /nfs/dbraw/zinc/33/81/15/1027338115.db2.gz GIFOBDZDPPNDBA-QGZVFWFLSA-N -1 0 319.763 3.757 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000574016312 1027352452 /nfs/dbraw/zinc/35/24/52/1027352452.db2.gz HDKMAMJHXFZSQU-BUXKBTBVSA-N -1 0 323.241 3.741 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(C)o2)c1 ZINC000812707007 1027364163 /nfs/dbraw/zinc/36/41/63/1027364163.db2.gz FHIKIUQZWSZYAH-NSHDSACASA-N -1 0 301.342 3.629 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](F)Cc2ccccc2)c1 ZINC000812706398 1027367158 /nfs/dbraw/zinc/36/71/58/1027367158.db2.gz OTBIDFPARADKOK-AWEZNQCLSA-N -1 0 315.344 3.504 20 0 DHADRM CC(C)(C(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812787945 1027404092 /nfs/dbraw/zinc/40/40/92/1027404092.db2.gz CJELIQZXRJREPR-UHFFFAOYSA-N -1 0 301.308 3.583 20 0 DHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N(CC(F)F)C1CC1 ZINC000932191394 1027404336 /nfs/dbraw/zinc/40/43/36/1027404336.db2.gz YAUBUQQFPRWJKS-UHFFFAOYSA-N -1 0 310.127 3.569 20 0 DHADRM CC[C@H](C(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812788550 1027405020 /nfs/dbraw/zinc/40/50/20/1027405020.db2.gz OSIIKGHJVQOGJW-ZDUSSCGKSA-N -1 0 301.308 3.799 20 0 DHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1 ZINC000574721006 1027419846 /nfs/dbraw/zinc/41/98/46/1027419846.db2.gz ASHRKFDQKWRJCL-UHFFFAOYSA-N -1 0 322.455 3.661 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000158363321 1027497976 /nfs/dbraw/zinc/49/79/76/1027497976.db2.gz XKPNOJBGHSYHSJ-UHFFFAOYSA-N -1 0 302.355 3.887 20 0 DHADRM COc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(F)c1 ZINC000158373820 1027501306 /nfs/dbraw/zinc/50/13/06/1027501306.db2.gz OPJRHTYLYUCZDF-UHFFFAOYSA-N -1 0 318.329 3.517 20 0 DHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158379775 1027505271 /nfs/dbraw/zinc/50/52/71/1027505271.db2.gz ZFHPQDKWTNBIHU-SNVBAGLBSA-N -1 0 308.403 3.506 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)s1 ZINC000778095123 1027528138 /nfs/dbraw/zinc/52/81/38/1027528138.db2.gz JEAMJGZTXJTFGD-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM Cc1cc(F)ccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158442138 1027529614 /nfs/dbraw/zinc/52/96/14/1027529614.db2.gz AHQPTYDYMPTJGF-UHFFFAOYSA-N -1 0 302.330 3.816 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000575988198 1027542357 /nfs/dbraw/zinc/54/23/57/1027542357.db2.gz AOIFHAJELJWJFX-KSSFIOAISA-N -1 0 323.392 3.536 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000575988197 1027542675 /nfs/dbraw/zinc/54/26/75/1027542675.db2.gz AOIFHAJELJWJFX-KDOFPFPSSA-N -1 0 323.392 3.536 20 0 DHADRM O=C(NC1CC(c2ccccc2)C1)c1ccc([O-])c(Cl)c1 ZINC000363470580 1027648688 /nfs/dbraw/zinc/64/86/88/1027648688.db2.gz PQLXKWUMZVBMFE-UHFFFAOYSA-N -1 0 301.773 3.722 20 0 DHADRM CC[C@H](Sc1cncc(SCc2ccccc2)n1)C(=O)[O-] ZINC000577066544 1027702885 /nfs/dbraw/zinc/70/28/85/1027702885.db2.gz WBUMKNFOVCRILH-LBPRGKRZSA-N -1 0 320.439 3.724 20 0 DHADRM CCCCCc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000577135797 1027713567 /nfs/dbraw/zinc/71/35/67/1027713567.db2.gz AQVCLRDCHGUYBH-ZDUSSCGKSA-N -1 0 318.417 3.889 20 0 DHADRM Cc1cc(C(=O)[O-])c(-c2cccc(CO[C@@H]3CCOC3)c2)s1 ZINC000577295570 1027743160 /nfs/dbraw/zinc/74/31/60/1027743160.db2.gz XJMRSDRCRONGOA-CQSZACIVSA-N -1 0 318.394 3.727 20 0 DHADRM CC(C)(CC(=O)N1CCCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000577320068 1027748129 /nfs/dbraw/zinc/74/81/29/1027748129.db2.gz CULGHQSZCHKKMR-HNNXBMFYSA-N -1 0 303.402 3.631 20 0 DHADRM Cc1ccccc1-c1nc(=NCCCC(F)(F)F)s[n-]1 ZINC000527909082 1027964315 /nfs/dbraw/zinc/96/43/15/1027964315.db2.gz GUJFUBUZJZVTNX-UHFFFAOYSA-N -1 0 301.337 3.690 20 0 DHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)cc(F)c1[O-] ZINC000934337511 1027971974 /nfs/dbraw/zinc/97/19/74/1027971974.db2.gz JJYZYXQBVYZKGZ-SMDDNHRTSA-N -1 0 317.335 3.689 20 0 DHADRM Cc1oc([C@H](C)N2CCc3c(F)ccc(F)c3C2)cc1C(=O)[O-] ZINC000563283432 1027980551 /nfs/dbraw/zinc/98/05/51/1027980551.db2.gz NXZBOIOYLCKDAE-VIFPVBQESA-N -1 0 321.323 3.684 20 0 DHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CC(C)(C)C(=O)[O-] ZINC000577980679 1028010162 /nfs/dbraw/zinc/01/01/62/1028010162.db2.gz SJOQBCJIGMNYRH-AWEZNQCLSA-N -1 0 317.429 3.877 20 0 DHADRM Cc1cc(Cl)cc(NC(=O)c2c([O-])cccc2Cl)c1O ZINC000747935600 1028010509 /nfs/dbraw/zinc/01/05/09/1028010509.db2.gz YSFIZKXEOQWEBL-UHFFFAOYSA-N -1 0 312.152 3.965 20 0 DHADRM CC[C@@H](Cc1ccc(NC(=O)N(C)C2CCCC2)cc1)C(=O)[O-] ZINC000563457361 1028053715 /nfs/dbraw/zinc/05/37/15/1028053715.db2.gz SSSPICGHYPHOJI-AWEZNQCLSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1nn(C)c(-c2ccc(OC3CCCCC3)cc2)c1C(=O)[O-] ZINC000578206269 1028090608 /nfs/dbraw/zinc/09/06/08/1028090608.db2.gz NAAYLRLKMOBKNQ-UHFFFAOYSA-N -1 0 314.385 3.805 20 0 DHADRM Cc1c2ccccc2nc(N2CCS[C@H](C)CC2)c1C(=O)[O-] ZINC000578239516 1028098619 /nfs/dbraw/zinc/09/86/19/1028098619.db2.gz HXNJHINKDHYYAD-LLVKDONJSA-N -1 0 316.426 3.573 20 0 DHADRM OC(=NOC1CCCCC1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000778265961 1028099458 /nfs/dbraw/zinc/09/94/58/1028099458.db2.gz PKJCBFROZLKTIW-UHFFFAOYSA-N -1 0 318.402 3.591 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@@H]1C1CCCCC1 ZINC000367387009 1028178027 /nfs/dbraw/zinc/17/80/27/1028178027.db2.gz ZEBZDCNIEGXJAR-MRXNPFEDSA-N -1 0 309.450 3.983 20 0 DHADRM CNC(=O)c1ccc(-c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000563898976 1028233007 /nfs/dbraw/zinc/23/30/07/1028233007.db2.gz OPLYOBFDKYLBRC-LBPRGKRZSA-N -1 0 311.381 3.600 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000579026364 1028303593 /nfs/dbraw/zinc/30/35/93/1028303593.db2.gz YJRUYSDXYFESTP-CQSZACIVSA-N -1 0 322.430 3.706 20 0 DHADRM CC[C@H](N=c1nc(C2CCCC2)[n-]s1)c1nc(C)cs1 ZINC000579097505 1028322142 /nfs/dbraw/zinc/32/21/42/1028322142.db2.gz CWFICYAJCLVQNE-NSHDSACASA-N -1 0 308.476 3.946 20 0 DHADRM COc1c(F)c(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001211903653 1028326670 /nfs/dbraw/zinc/32/66/70/1028326670.db2.gz KYQMCVVLUTUUIQ-UHFFFAOYSA-N -1 0 317.295 3.608 20 0 DHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(F)c1[O-] ZINC000935679998 1028358427 /nfs/dbraw/zinc/35/84/27/1028358427.db2.gz FPYPKXCHUXEVJQ-CYBMUJFWSA-N -1 0 301.361 3.543 20 0 DHADRM O=C([O-])c1ccccc1-c1ccc(C(=O)Cc2ccccn2)cc1 ZINC000579249714 1028363394 /nfs/dbraw/zinc/36/33/94/1028363394.db2.gz YAIHYVBIPDCPAK-UHFFFAOYSA-N -1 0 317.344 3.872 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000579354654 1028388607 /nfs/dbraw/zinc/38/86/07/1028388607.db2.gz ILCSZTMNSYKXRX-OLZOCXBDSA-N -1 0 318.417 3.559 20 0 DHADRM CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCCc2cccnc21 ZINC000368965701 1028427732 /nfs/dbraw/zinc/42/77/32/1028427732.db2.gz VKGNIKGKVHYOOM-CQSZACIVSA-N -1 0 316.788 3.590 20 0 DHADRM CC(C)[C@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CCO1 ZINC000935972963 1028435423 /nfs/dbraw/zinc/43/54/23/1028435423.db2.gz JSUFDSJXNKHEPC-YMTOWFKASA-N -1 0 315.772 3.574 20 0 DHADRM N#Cc1ccc(C(=O)Nc2cccc(SC(F)F)c2)cc1[O-] ZINC000188101353 1028497498 /nfs/dbraw/zinc/49/74/98/1028497498.db2.gz INXFFPMTXQHGKF-UHFFFAOYSA-N -1 0 320.320 3.831 20 0 DHADRM O=C([O-])c1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1Cl ZINC000188764237 1028526925 /nfs/dbraw/zinc/52/69/25/1028526925.db2.gz OUFAXZMWKMYTPR-IZZDOVSWSA-N -1 0 316.715 4.000 20 0 DHADRM COC(=O)c1cc(-c2ccccc2C(=O)[O-])ccc1OC(C)C ZINC000565034657 1028529421 /nfs/dbraw/zinc/52/94/21/1028529421.db2.gz DFPLYTOOIIEFAO-UHFFFAOYSA-N -1 0 314.337 3.626 20 0 DHADRM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1sccc1F ZINC000815587814 1028559942 /nfs/dbraw/zinc/55/99/42/1028559942.db2.gz UIESTRSUQBABIT-UHFFFAOYSA-N -1 0 323.349 3.797 20 0 DHADRM COc1ccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])cc1OC ZINC000565236398 1028563080 /nfs/dbraw/zinc/56/30/80/1028563080.db2.gz MCLRQQXMIPEDRQ-JXFKEZNVSA-N -1 0 324.376 3.659 20 0 DHADRM Cc1cc([C@H](C)N2Cc3ccccc3O[C@@H](C)C2)oc1C(=O)[O-] ZINC000565254543 1028567430 /nfs/dbraw/zinc/56/74/30/1028567430.db2.gz NOYMXONIDRYBLH-STQMWFEESA-N -1 0 315.369 3.630 20 0 DHADRM CCC1=C(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCO1 ZINC000189448519 1028577079 /nfs/dbraw/zinc/57/70/79/1028577079.db2.gz FFAGTYLTHAVPMH-UHFFFAOYSA-N -1 0 304.371 3.530 20 0 DHADRM CCCN(C(=O)Nc1cccc2ccccc21)[C@H](CC)C(=O)[O-] ZINC000565341356 1028578092 /nfs/dbraw/zinc/57/80/92/1028578092.db2.gz MWEAMTPCLZPOBK-MRXNPFEDSA-N -1 0 314.385 3.947 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1C[C@H]2CCCCC[C@H]21 ZINC000370236430 1028580595 /nfs/dbraw/zinc/58/05/95/1028580595.db2.gz RBWBADCEICQEBN-DGCLKSJQSA-N -1 0 302.399 3.521 20 0 DHADRM CC(C)(F)c1cc([N-]C(=O)c2cc(-c3ccccc3)no2)no1 ZINC001135195216 1028621111 /nfs/dbraw/zinc/62/11/11/1028621111.db2.gz KALCXNHKIAQJEX-UHFFFAOYSA-N -1 0 315.304 3.787 20 0 DHADRM COc1ccc(-c2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000565727500 1028626696 /nfs/dbraw/zinc/62/66/96/1028626696.db2.gz MJIJYUDBLMREDN-UHFFFAOYSA-N -1 0 300.354 3.985 20 0 DHADRM CCN(CC(C)(C)C)C(=O)c1cccc(Br)c1[O-] ZINC000566652918 1028760624 /nfs/dbraw/zinc/76/06/24/1028760624.db2.gz AQFGZGRGYRFOKL-UHFFFAOYSA-N -1 0 314.223 3.663 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000627436943 1028765142 /nfs/dbraw/zinc/76/51/42/1028765142.db2.gz IVJBVRGYLNXGGX-MDASCCDHSA-N -1 0 321.376 3.509 20 0 DHADRM C[C@H]1CCc2ccccc2N1C(=O)c1ncc2ccccc2c1[O-] ZINC001135677988 1028993465 /nfs/dbraw/zinc/99/34/65/1028993465.db2.gz FPZRPUUZLJTSJG-ZDUSSCGKSA-N -1 0 318.376 3.922 20 0 DHADRM CN(Cc1cccc(F)c1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816819454 1029018984 /nfs/dbraw/zinc/01/89/84/1029018984.db2.gz FJAVHILZYGRLHU-UHFFFAOYSA-N -1 0 316.357 3.528 20 0 DHADRM Cc1nn(C(C)C)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000568211676 1029026323 /nfs/dbraw/zinc/02/63/23/1029026323.db2.gz GETOFWYILHQRHH-UHFFFAOYSA-N -1 0 311.744 3.523 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1C ZINC000568266545 1029035305 /nfs/dbraw/zinc/03/53/05/1029035305.db2.gz YSKXJRUWZAOMDY-SFHVURJKSA-N -1 0 323.392 3.660 20 0 DHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816943835 1029042335 /nfs/dbraw/zinc/04/23/35/1029042335.db2.gz LBEGTHIVLVYMFB-GXFFZTMASA-N -1 0 322.455 3.521 20 0 DHADRM Cc1cnc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c([O-])c1 ZINC000778645298 1029072692 /nfs/dbraw/zinc/07/26/92/1029072692.db2.gz LTLHJRLVEWPGIK-UHFFFAOYSA-N -1 0 310.397 3.596 20 0 DHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000779327957 1029096376 /nfs/dbraw/zinc/09/63/76/1029096376.db2.gz HKVFIZKLLBPTDC-GFCCVEGCSA-N -1 0 321.364 3.804 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1(C)C ZINC000817218954 1029098098 /nfs/dbraw/zinc/09/80/98/1029098098.db2.gz NORWWZAMQQFGND-CYBMUJFWSA-N -1 0 304.415 3.623 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1(C(F)F)CCCC1 ZINC000568705551 1029115501 /nfs/dbraw/zinc/11/55/01/1029115501.db2.gz ADGVBYLVPPDVOB-UHFFFAOYSA-N -1 0 307.699 3.949 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C[C@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000568795936 1029126593 /nfs/dbraw/zinc/12/65/93/1029126593.db2.gz FDWMMCMTUPOZIT-ZMLRMANQSA-N -1 0 324.446 3.543 20 0 DHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]OCCC1CC1 ZINC000817426365 1029162441 /nfs/dbraw/zinc/16/24/41/1029162441.db2.gz ZNZUNBDAMRRLNL-SECBINFHSA-N -1 0 318.200 3.609 20 0 DHADRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]OCCC1CC1 ZINC000817429842 1029164333 /nfs/dbraw/zinc/16/43/33/1029164333.db2.gz JISRGQNONSPZDQ-SECBINFHSA-N -1 0 318.200 3.609 20 0 DHADRM CCCn1nc(C)c(-c2ccc(C(=O)[O-])c3c2CCCO3)c1C ZINC000569259930 1029203959 /nfs/dbraw/zinc/20/39/59/1029203959.db2.gz KOVMHWYKJRRHGM-UHFFFAOYSA-N -1 0 314.385 3.600 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC23CCCCC3)c1 ZINC000569299367 1029214261 /nfs/dbraw/zinc/21/42/61/1029214261.db2.gz UBPZHXBZMKQMNI-ZDUSSCGKSA-N -1 0 301.386 3.894 20 0 DHADRM Cc1sc(C(=O)[O-])cc1C[N@H+](C)CCOc1cccc(C)c1 ZINC000569347397 1029221451 /nfs/dbraw/zinc/22/14/51/1029221451.db2.gz AWINRNBASVXSRV-UHFFFAOYSA-N -1 0 319.426 3.574 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H](C2CCCC2)C1 ZINC000817636915 1029223676 /nfs/dbraw/zinc/22/36/76/1029223676.db2.gz UYBHKLPRHVHVKQ-CYBMUJFWSA-N -1 0 316.426 3.769 20 0 DHADRM [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cc(F)ccc1F ZINC000190968221 1029229638 /nfs/dbraw/zinc/22/96/38/1029229638.db2.gz INTYBQXTXWPGGK-UHFFFAOYSA-N -1 0 301.695 3.753 20 0 DHADRM CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000629317077 1029302770 /nfs/dbraw/zinc/30/27/70/1029302770.db2.gz XMJLTFUQERVJGB-UHFFFAOYSA-N -1 0 323.439 3.758 20 0 DHADRM CCCN(C(=O)Nc1ccccc1C(C)C)[C@@H](CC)C(=O)[O-] ZINC000570437548 1029365227 /nfs/dbraw/zinc/36/52/27/1029365227.db2.gz OSIMPECTXZRGIO-HNNXBMFYSA-N -1 0 306.406 3.917 20 0 DHADRM C[C@@]1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CCCOC1 ZINC000529538887 1029376827 /nfs/dbraw/zinc/37/68/27/1029376827.db2.gz MPMZKWALUKPAJY-QGZVFWFLSA-N -1 0 319.788 3.954 20 0 DHADRM CC(C)c1occc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000450525687 1029534255 /nfs/dbraw/zinc/53/42/55/1029534255.db2.gz SCTJCQAUDKVVJO-CQSZACIVSA-N -1 0 307.390 3.556 20 0 DHADRM CC[C@H](CNC(=O)c1ccc(C)cc1O)Oc1cccc(C)c1 ZINC001136278775 1029622497 /nfs/dbraw/zinc/62/24/97/1029622497.db2.gz GTTPVBXHODXNMK-OAHLLOKOSA-N -1 0 313.397 3.596 20 0 DHADRM COc1ccc(C2(C(=O)[N-]Oc3ccccc3)CCCC2)cc1 ZINC000820048709 1029653029 /nfs/dbraw/zinc/65/30/29/1029653029.db2.gz DFLFGZMRHVADNQ-UHFFFAOYSA-N -1 0 311.381 3.617 20 0 DHADRM CCCc1cnc([N-]S(=O)(=O)c2sccc2Cl)s1 ZINC000450991566 1029755611 /nfs/dbraw/zinc/75/56/11/1029755611.db2.gz MTRBHOWKOFKKTM-UHFFFAOYSA-N -1 0 322.864 3.611 20 0 DHADRM Nc1cccc(F)c1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001159903982 1029847787 /nfs/dbraw/zinc/84/77/87/1029847787.db2.gz MYIOQSIYUPGBKP-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCCC2(F)F)c1 ZINC000451894554 1030047405 /nfs/dbraw/zinc/04/74/05/1030047405.db2.gz RYDYHJIBFLWOTC-LLVKDONJSA-N -1 0 311.328 3.749 20 0 DHADRM CC[C@@H](C)CO[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000794875550 1030076651 /nfs/dbraw/zinc/07/66/51/1030076651.db2.gz NITVVADXDDCUAJ-RHSMWYFYSA-N 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CC(C)=CCSc1ccccc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263449496 1031196283 /nfs/dbraw/zinc/19/62/83/1031196283.db2.gz NWTFYQPWFJMZMO-QWHCGFSZSA-N -1 0 321.442 3.584 20 0 DHADRM Cc1ccc2ccnc(NC(=O)c3cc(F)cc(F)c3[O-])c2c1 ZINC001144070294 1031214683 /nfs/dbraw/zinc/21/46/83/1031214683.db2.gz KSYUKQOCZVQIHY-UHFFFAOYSA-N -1 0 314.291 3.779 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000615107525 1031227114 /nfs/dbraw/zinc/22/71/14/1031227114.db2.gz GNRXWEYMBUNFOZ-UHFFFAOYSA-N -1 0 317.307 3.902 20 0 DHADRM CC(C)c1nn(C)cc1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000293080195 1031315188 /nfs/dbraw/zinc/31/51/88/1031315188.db2.gz RKUDXBKVEFPSNQ-UHFFFAOYSA-N -1 0 318.764 3.620 20 0 DHADRM CC(C)CCc1cc(=O)n(-c2ccc(-c3ccccc3)nn2)[n-]1 ZINC000871949549 1031385982 /nfs/dbraw/zinc/38/59/82/1031385982.db2.gz DZQRQJGCCNBYBI-UHFFFAOYSA-N -1 0 308.385 3.673 20 0 DHADRM O=c1c2c([n-]n1-c1cccc(Br)n1)CCCCCC2 ZINC000871950770 1031387099 /nfs/dbraw/zinc/38/70/99/1031387099.db2.gz 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ZINC001173970007 1033990291 /nfs/dbraw/zinc/99/02/91/1033990291.db2.gz DWQWFJIRXMBYPU-UHFFFAOYSA-N -1 0 311.790 3.893 20 0 DHADRM CC(C)n1nccc1/C=C/c1ccc2cc(C(=O)[O-])ccc2n1 ZINC000480045441 1034028414 /nfs/dbraw/zinc/02/84/14/1034028414.db2.gz SVYWQWJYMVVARP-VOTSOKGWSA-N -1 0 307.353 3.881 20 0 DHADRM CC[C@H](C)CC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000480080262 1034045917 /nfs/dbraw/zinc/04/59/17/1034045917.db2.gz AIYNNSWNWNLQQD-VIFPVBQESA-N -1 0 309.822 3.655 20 0 DHADRM CCSCC[C@H](C)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000176264688 1034077589 /nfs/dbraw/zinc/07/75/89/1034077589.db2.gz ITDGPPBUXBYPRF-JTQLQIEISA-N -1 0 301.839 3.649 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000176329073 1034081129 /nfs/dbraw/zinc/08/11/29/1034081129.db2.gz HQYCMBGAKCYXIC-JSGCOSHPSA-N -1 0 311.834 3.546 20 0 DHADRM CS(=O)(=O)c1cccc(Nc2ccc(Cl)cc2[S-])c1 ZINC001174028071 1034083912 /nfs/dbraw/zinc/08/39/12/1034083912.db2.gz GALJTTCHMJDFPD-UHFFFAOYSA-N -1 0 313.831 3.776 20 0 DHADRM 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314.366 3.534 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864102070 1034290090 /nfs/dbraw/zinc/29/00/90/1034290090.db2.gz CRKVTOCVIMBYFJ-CQSZACIVSA-N -1 0 311.381 3.835 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC000864109238 1034292922 /nfs/dbraw/zinc/29/29/22/1034292922.db2.gz OTOXDIYWWTXZJY-BBRMVZONSA-N -1 0 303.402 3.734 20 0 DHADRM CSCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000864122980 1034294535 /nfs/dbraw/zinc/29/45/35/1034294535.db2.gz ZALQLXKTSHJSOW-UHFFFAOYSA-N -1 0 313.394 3.776 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)C[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000864129226 1034294798 /nfs/dbraw/zinc/29/47/98/1034294798.db2.gz CFFJWZAZNRMALW-ZWNOBZJWSA-N -1 0 311.344 3.505 20 0 DHADRM Cc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)cc1C(=O)[O-] ZINC000864128647 1034295092 /nfs/dbraw/zinc/29/50/92/1034295092.db2.gz ONUUCSXFZKNQNF-LBPRGKRZSA-N -1 0 309.365 3.532 20 0 DHADRM Cc1nn(C)cc1Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001174335587 1034295205 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C[C@](CC(=O)[O-])(NC(=O)c1cccc(C2CCCC2)c1)C1CC1 ZINC000864201354 1034301184 /nfs/dbraw/zinc/30/11/84/1034301184.db2.gz STYIASROWRBKKB-LJQANCHMSA-N -1 0 315.413 3.717 20 0 DHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864188192 1034301561 /nfs/dbraw/zinc/30/15/61/1034301561.db2.gz DEXLDIPMKAEJPO-JEBQAFNWSA-N -1 0 323.392 3.692 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCCC2)c1 ZINC000864230300 1034303961 /nfs/dbraw/zinc/30/39/61/1034303961.db2.gz VJPCAWLITIDIMF-MRXNPFEDSA-N -1 0 303.402 3.597 20 0 DHADRM CC(C)c1ccoc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226822 1034303680 /nfs/dbraw/zinc/30/36/80/1034303680.db2.gz RCZLUDYMXNPTGB-LBPRGKRZSA-N -1 0 313.353 3.622 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000864233643 1034303699 /nfs/dbraw/zinc/30/36/99/1034303699.db2.gz YCMUYTWTPOJMCP-HOTGVXAUSA-N -1 0 315.413 3.597 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000864226341 1034303715 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CO[C@@H](C)c1nc(=N[C@H]2C[C@H](c3ccccc3Cl)C2)s[n-]1 ZINC000555269338 1034585606 /nfs/dbraw/zinc/58/56/06/1034585606.db2.gz QROSRHQODXYCNI-DCAQKATOSA-N -1 0 323.849 3.679 20 0 DHADRM CC1(C)CCCC[C@H]1n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899354298 1034591272 /nfs/dbraw/zinc/59/12/72/1034591272.db2.gz DZRKJUQTNNGWQC-GHMZBOCLSA-N -1 0 302.340 3.742 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1ccc(Cl)cc1 ZINC000899351658 1034597464 /nfs/dbraw/zinc/59/74/64/1034597464.db2.gz QJUXITCSWQSNCB-NSHDSACASA-N -1 0 316.710 3.627 20 0 DHADRM Cc1cncc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001174756964 1034613438 /nfs/dbraw/zinc/61/34/38/1034613438.db2.gz ASNDTZOPZQNSAX-UHFFFAOYSA-N -1 0 314.366 3.534 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)cnc1Br ZINC001174805453 1034631832 /nfs/dbraw/zinc/63/18/32/1034631832.db2.gz DIDUZEZIPAHQOO-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc(O)c2Br)s1 ZINC001174808857 1034632761 /nfs/dbraw/zinc/63/27/61/1034632761.db2.gz VMZDKRHZMIEIMU-UHFFFAOYSA-N -1 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ZINC001174949963 1034702865 /nfs/dbraw/zinc/70/28/65/1034702865.db2.gz MFAXNXNGUHXKBF-UHFFFAOYSA-N -1 0 314.238 3.610 20 0 DHADRM O=C([O-])Cc1ccc(Nc2ccc3c(c2)CCCCC3=O)cc1 ZINC001174955047 1034706660 /nfs/dbraw/zinc/70/66/60/1034706660.db2.gz ZPIPVHZHCGHRLS-UHFFFAOYSA-N -1 0 309.365 3.966 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1-c1ccc(F)cc1 ZINC001174981222 1034745089 /nfs/dbraw/zinc/74/50/89/1034745089.db2.gz KSDSSGNMBMRKSZ-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM COC(=O)c1cc(Nc2cc(C(=O)[O-])ccc2C)ccc1Cl ZINC001174983950 1034746978 /nfs/dbraw/zinc/74/69/78/1034746978.db2.gz FNNLKLKBLZLBMS-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnc(Br)c1C ZINC001174984265 1034747394 /nfs/dbraw/zinc/74/73/94/1034747394.db2.gz XBDZZOQXUHPNDB-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1nnc([N-]c2cc(F)c(OCc3ccccc3)cc2F)o1 ZINC001175153364 1034817176 /nfs/dbraw/zinc/81/71/76/1034817176.db2.gz LMQHSOCVEPSJAO-UHFFFAOYSA-N -1 0 317.295 3.979 20 0 DHADRM 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Cc1sc2ncnc(NCc3ccc(C(=O)[O-])cc3)c2c1C ZINC000020313574 182205761 /nfs/dbraw/zinc/20/57/61/182205761.db2.gz GMMCNFPBRVWTMQ-UHFFFAOYSA-N -1 0 313.382 3.618 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)c2ccccc21 ZINC000192960655 335043113 /nfs/dbraw/zinc/04/31/13/335043113.db2.gz SDLRMPFAOMFLGH-QGZVFWFLSA-N -1 0 321.376 3.783 20 0 DHADRM COC(=O)c1cc(F)cc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000065354576 184327022 /nfs/dbraw/zinc/32/70/22/184327022.db2.gz NVQILMZSZVRLTG-UHFFFAOYSA-N -1 0 308.692 3.631 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000065355323 184328008 /nfs/dbraw/zinc/32/80/08/184328008.db2.gz UDVQTFPLWSAHRQ-UHFFFAOYSA-N -1 0 323.392 3.986 20 0 DHADRM CCCc1nc(CO[N-]C(=O)C(C)(C)c2ccccc2)cs1 ZINC000066468947 184409906 /nfs/dbraw/zinc/40/99/06/184409906.db2.gz YHLHUYNELKUAIE-UHFFFAOYSA-N -1 0 318.442 3.621 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000272144466 130001956 /nfs/dbraw/zinc/00/19/56/130001956.db2.gz 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CCN(Cc1c(F)cccc1F)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000563278297 333518734 /nfs/dbraw/zinc/51/87/34/333518734.db2.gz HEDHFHANXJWSCO-JTQLQIEISA-N -1 0 309.312 3.839 20 0 DHADRM Cc1nc(CNCc2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000426676444 333519311 /nfs/dbraw/zinc/51/93/11/333519311.db2.gz CJYZWKYKSCGSLI-UHFFFAOYSA-N -1 0 312.394 3.593 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000531745013 333552409 /nfs/dbraw/zinc/55/24/09/333552409.db2.gz ZHQBNSZGCWISSB-LLVKDONJSA-N -1 0 301.317 3.656 20 0 DHADRM CC(=O)c1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(F)c1 ZINC000563549289 333622554 /nfs/dbraw/zinc/62/25/54/333622554.db2.gz FSRNXLNUGHKEQI-UHFFFAOYSA-N -1 0 305.330 3.727 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2cnc(C3CC3)s2)C(=O)[O-])c1 ZINC000563567247 333625391 /nfs/dbraw/zinc/62/53/91/333625391.db2.gz CSUZIMXGEHGQTJ-OAHLLOKOSA-N -1 0 316.426 3.553 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000414462537 333988313 /nfs/dbraw/zinc/98/83/13/333988313.db2.gz 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338451386 /nfs/dbraw/zinc/45/13/86/338451386.db2.gz RJRMFVWEVPQRLQ-UHFFFAOYSA-N -1 0 318.442 3.678 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NC(CC)(CC)C(=O)[O-])cc1 ZINC000342525500 334545518 /nfs/dbraw/zinc/54/55/18/334545518.db2.gz MWFHHKVKDPVLGD-CYBMUJFWSA-N -1 0 305.418 3.502 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)CC2CCCCCC2)c2ccccc21 ZINC000188423796 334708396 /nfs/dbraw/zinc/70/83/96/334708396.db2.gz LHQCZCMNCBOXBD-HNNXBMFYSA-N -1 0 301.386 3.562 20 0 DHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000331043442 334831312 /nfs/dbraw/zinc/83/13/12/334831312.db2.gz FKFUHLPZPKLNLP-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000331087645 334834254 /nfs/dbraw/zinc/83/42/54/334834254.db2.gz DZPIUJVZNDVKEX-ZDUSSCGKSA-N -1 0 321.446 3.580 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000580504996 338468831 /nfs/dbraw/zinc/46/88/31/338468831.db2.gz YIQDOTJQSVQIBO-ZDUSSCGKSA-N -1 0 309.365 3.929 20 0 DHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])ns1 ZINC000444345631 338471703 /nfs/dbraw/zinc/47/17/03/338471703.db2.gz SWSKHFRCBUHOLC-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000190874559 335211801 /nfs/dbraw/zinc/21/18/01/335211801.db2.gz PCUBLESCBVMUGW-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM COCc1ccsc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345603579 335340089 /nfs/dbraw/zinc/34/00/89/335340089.db2.gz HMIKABPXSIAAKM-UHFFFAOYSA-N -1 0 315.753 3.645 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccnc1C1CC1 ZINC000345606423 335340179 /nfs/dbraw/zinc/34/01/79/335340179.db2.gz KLHJFGHRDHPZHA-UHFFFAOYSA-N -1 0 306.724 3.709 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345816118 335352941 /nfs/dbraw/zinc/35/29/41/335352941.db2.gz XHYFMJQZZMETED-XPTSAGLGSA-N -1 0 315.772 3.547 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)[C@@H]3Cc4ccccc43)ccc2s1 ZINC000345884761 335358147 /nfs/dbraw/zinc/35/81/47/335358147.db2.gz IQBXYPHMLNFQSY-CQSZACIVSA-N -1 0 323.373 3.878 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)C(C)(C)C ZINC000345896714 335359404 /nfs/dbraw/zinc/35/94/04/335359404.db2.gz BLBPMGCOXYWXEJ-DZGCQCFKSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc2cc(C(=O)NC3(C(=O)[O-])CCC(C)CC3)oc21 ZINC000346001672 335369029 /nfs/dbraw/zinc/36/90/29/335369029.db2.gz VGRWJRIHKBALDM-UHFFFAOYSA-N -1 0 315.369 3.505 20 0 DHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccoc1 ZINC000349946761 335712346 /nfs/dbraw/zinc/71/23/46/335712346.db2.gz UJXWFNBHZYNWHJ-UHFFFAOYSA-N -1 0 317.819 3.846 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000350067601 335722433 /nfs/dbraw/zinc/72/24/33/335722433.db2.gz AZELBDJURSNGLD-MRXNPFEDSA-N -1 0 313.328 3.501 20 0 DHADRM CCc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013253717 335858038 /nfs/dbraw/zinc/85/80/38/335858038.db2.gz AQHRAASERPOWSF-IBGZPJMESA-N -1 0 311.381 3.620 20 0 DHADRM CCSc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000351633884 336058296 /nfs/dbraw/zinc/05/82/96/336058296.db2.gz 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/nfs/dbraw/zinc/19/10/64/336191064.db2.gz ULGHOVFXCQAELX-HYXAFXHYSA-N -1 0 319.773 3.621 20 0 DHADRM COc1ccc(CNc2ccccc2CCCC(=O)[O-])cc1F ZINC000324381078 336203253 /nfs/dbraw/zinc/20/32/53/336203253.db2.gz ZBYOLYTYHCMHQI-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM CC(C)C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccs1 ZINC000352237002 336205611 /nfs/dbraw/zinc/20/56/11/336205611.db2.gz HRSQQIXNZKBHKT-LBPRGKRZSA-N -1 0 309.431 3.597 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000532445972 336247731 /nfs/dbraw/zinc/24/77/31/336247731.db2.gz VYQGNFCGDMTGGY-AWEZNQCLSA-N -1 0 324.384 3.581 20 0 DHADRM Cc1cc(NC(=O)c2ccc3ccccc3n2)cc(C(=O)[O-])c1C ZINC000324749609 336256384 /nfs/dbraw/zinc/25/63/84/336256384.db2.gz RSUWMHFCPSYUOD-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000532596749 336257304 /nfs/dbraw/zinc/25/73/04/336257304.db2.gz CLIQFUFZRGXFGZ-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM COc1cccc(C)c1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192686242 336258592 /nfs/dbraw/zinc/25/85/92/336258592.db2.gz OYVHKXFAZIIYRO-UHFFFAOYSA-N -1 0 309.724 3.754 20 0 DHADRM CC(C)(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CC1 ZINC000580356310 336259983 /nfs/dbraw/zinc/25/99/83/336259983.db2.gz DUOJTTLIPVGHHX-UHFFFAOYSA-N -1 0 321.833 3.655 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000192845288 336267495 /nfs/dbraw/zinc/26/74/95/336267495.db2.gz YYXWGTDAIPDZMH-CYBMUJFWSA-N -1 0 317.410 3.817 20 0 DHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)s1 ZINC000192860320 336274461 /nfs/dbraw/zinc/27/44/61/336274461.db2.gz WCOVVLKXSKBJRB-UHFFFAOYSA-N -1 0 317.410 3.599 20 0 DHADRM CC[C@@H]1CCCCN1c1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000301740770 336326840 /nfs/dbraw/zinc/32/68/40/336326840.db2.gz XRARHHMPNWQZST-OAHLLOKOSA-N -1 0 312.417 3.630 20 0 DHADRM COc1cccc(F)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353873402 336445135 /nfs/dbraw/zinc/44/51/35/336445135.db2.gz CDYFJKCTHMZSGS-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000353962150 336451454 /nfs/dbraw/zinc/45/14/54/336451454.db2.gz YGPSARBAZZLUSK-RDBSUJKOSA-N -1 0 321.442 3.611 20 0 DHADRM O=C(CCc1nccs1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000354395475 336469281 /nfs/dbraw/zinc/46/92/81/336469281.db2.gz LDMVIVLOVKSEMR-UHFFFAOYSA-N -1 0 317.197 3.727 20 0 DHADRM O=C([O-])C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000354980150 336489924 /nfs/dbraw/zinc/48/99/24/336489924.db2.gz BMRAKMYYVKGIST-UHFFFAOYSA-N -1 0 307.758 3.514 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000358528600 336633553 /nfs/dbraw/zinc/63/35/53/336633553.db2.gz IRRHMDQABWNBCM-VIFPVBQESA-N -1 0 319.307 3.615 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCC1CCCC1 ZINC000358607175 336636595 /nfs/dbraw/zinc/63/65/95/336636595.db2.gz JPHKBCYRARVJIL-PMPSAXMXSA-N -1 0 307.434 3.591 20 0 DHADRM CCSc1cccc(F)c1[N-]C(=O)c1cn2ccnc2s1 ZINC000362190099 336787396 /nfs/dbraw/zinc/78/73/96/336787396.db2.gz 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341216810 /nfs/dbraw/zinc/21/68/10/341216810.db2.gz JENKPAUXPKDOSP-UHFFFAOYSA-N -1 0 309.287 3.771 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237633623 341216890 /nfs/dbraw/zinc/21/68/90/341216890.db2.gz XWWGSHXYOFMCKS-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM Cc1cc(NC(=O)CCc2cc(Cl)cs2)ccc1C(=O)[O-] ZINC000237701423 341218532 /nfs/dbraw/zinc/21/85/32/341218532.db2.gz KWOLUUIDJUPJIX-UHFFFAOYSA-N -1 0 323.801 3.979 20 0 DHADRM C[C@@](NC(=O)c1ccc(C2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000237727702 341219290 /nfs/dbraw/zinc/21/92/90/341219290.db2.gz PYHRWSVPWIVHSV-IBGZPJMESA-N -1 0 315.413 3.717 20 0 DHADRM Cc1cc(F)cc(C(=O)[O-])c1NC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000547555045 341222079 /nfs/dbraw/zinc/22/20/79/341222079.db2.gz ZPCZZKLSPLIZOZ-PHIMTYICSA-N -1 0 308.353 3.627 20 0 DHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000238209790 341227925 /nfs/dbraw/zinc/22/79/25/341227925.db2.gz MTGQORKKZOTUHL-QGZVFWFLSA-N -1 0 309.365 3.656 20 0 DHADRM 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ZINC000565237937 341521073 /nfs/dbraw/zinc/52/10/73/341521073.db2.gz MAFPZAXQZFGACS-CQSZACIVSA-N -1 0 314.381 3.705 20 0 DHADRM Cc1c(Cl)cccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262415301 341522154 /nfs/dbraw/zinc/52/21/54/341522154.db2.gz DLRXRUMKRZVGPF-GLQYFDAESA-N -1 0 321.804 3.506 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000262493689 341523149 /nfs/dbraw/zinc/52/31/49/341523149.db2.gz LEAYKQUJOBMAMX-UHFFFAOYSA-N -1 0 312.369 3.772 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000263106364 341535204 /nfs/dbraw/zinc/53/52/04/341535204.db2.gz KPQVPQZMJJOGCD-STQMWFEESA-N -1 0 318.417 3.559 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 ZINC000263351134 341539000 /nfs/dbraw/zinc/53/90/00/341539000.db2.gz VPWVAIJOYFKEPE-CYBMUJFWSA-N -1 0 311.381 3.791 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)[C@@]34C[C@@H]3CCC4)ccc2s1 ZINC000566614335 341563238 /nfs/dbraw/zinc/56/32/38/341563238.db2.gz KGMZAAOTOUGUDW-QFYYESIMSA-N -1 0 301.367 3.728 20 0 DHADRM COc1cc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000566621358 341563384 /nfs/dbraw/zinc/56/33/84/341563384.db2.gz HQSFQWSKEPTMHO-KBPBESRZSA-N -1 0 317.385 3.548 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000566866741 341570438 /nfs/dbraw/zinc/57/04/38/341570438.db2.gz OUFWLFKOHGBTTR-QGZVFWFLSA-N -1 0 323.392 3.599 20 0 DHADRM CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000309560962 341594856 /nfs/dbraw/zinc/59/48/56/341594856.db2.gz QWOMYCTZFLPTND-UHFFFAOYSA-N -1 0 318.760 3.702 20 0 DHADRM CCCCN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000155101489 341602022 /nfs/dbraw/zinc/60/20/22/341602022.db2.gz UJMNMDGONRVEKG-UHFFFAOYSA-N -1 0 315.417 3.573 20 0 DHADRM Cc1ccc2ccccc2c1C[S@](=O)[C@H](C(=O)[O-])C(C)C ZINC000567852450 341636871 /nfs/dbraw/zinc/63/68/71/341636871.db2.gz WWFWFYLNKYLIPY-KKSFZXQISA-N -1 0 304.411 3.506 20 0 DHADRM Cc1cc(-c2cccc(C(=O)[O-])c2F)ccc1O[C@@H]1CCOC1 ZINC000573138351 341718255 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C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736556666 600443187 /nfs/dbraw/zinc/44/31/87/600443187.db2.gz NVPCLGUANHJKKI-SJCJKPOMSA-N -1 0 316.328 3.688 20 0 DHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736556665 600443213 /nfs/dbraw/zinc/44/32/13/600443213.db2.gz NVPCLGUANHJKKI-PXAZEXFGSA-N -1 0 316.328 3.688 20 0 DHADRM O=C([O-])[C@H](OC(=O)/C=C/C1CCCCC1)c1ccc(F)cc1 ZINC000739209555 600458783 /nfs/dbraw/zinc/45/87/83/600458783.db2.gz MWRASDNLNUPVBG-HKUPYCBJSA-N -1 0 306.333 3.631 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000236662284 600460504 /nfs/dbraw/zinc/46/05/04/600460504.db2.gz ACSFJUGBIGDZBF-OAHLLOKOSA-N -1 0 317.410 3.882 20 0 DHADRM O=C([O-])c1coc(COC(=O)CC/C=C/c2ccccc2)c1 ZINC000739234389 600466336 /nfs/dbraw/zinc/46/63/36/600466336.db2.gz DZHNUKKDCXKNLW-XBXARRHUSA-N -1 0 300.310 3.515 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736904024 600466421 /nfs/dbraw/zinc/46/64/21/600466421.db2.gz 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600510019 /nfs/dbraw/zinc/51/00/19/600510019.db2.gz MYGAPLOURHITRN-TVQRCGJNSA-N -1 0 310.781 3.738 20 0 DHADRM CCn1cc(C(=O)Oc2ccccc2C(=O)[O-])c2ccccc21 ZINC000737302073 600512642 /nfs/dbraw/zinc/51/26/42/600512642.db2.gz LTSVDPWMFDNPOD-UHFFFAOYSA-N -1 0 309.321 3.579 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000675985477 600527643 /nfs/dbraw/zinc/52/76/43/600527643.db2.gz BPEKDGLIKHQGRQ-ZDUSSCGKSA-N -1 0 323.389 3.578 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@@H](C(C)C)CC2)ccc1C(=O)[O-] ZINC000321823837 600543521 /nfs/dbraw/zinc/54/35/21/600543521.db2.gz YCSWIZBMKRTTKO-CQSZACIVSA-N -1 0 318.417 3.983 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000736460929 600560924 /nfs/dbraw/zinc/56/09/24/600560924.db2.gz BYJDWIJXAJUBDX-FLIBITNWSA-N -1 0 317.429 3.709 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)c1ccccc1NC(=O)[O-] ZINC000737491895 600566369 /nfs/dbraw/zinc/56/63/69/600566369.db2.gz LSUOJYGIUBPYEA-UHFFFAOYSA-N -1 0 318.760 3.702 20 0 DHADRM CC(C)C[C@H](OC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000736425387 600573449 /nfs/dbraw/zinc/57/34/49/600573449.db2.gz LUTXGUPFBVGIDU-ZBFHGGJFSA-N -1 0 304.386 3.539 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736394540 600577883 /nfs/dbraw/zinc/57/78/83/600577883.db2.gz IGJSHNVOJNNWLD-STQMWFEESA-N -1 0 304.390 3.721 20 0 DHADRM Cc1ccc(NC(=O)c2cc3occc3s2)c(C(=O)[O-])c1 ZINC000738627487 600585320 /nfs/dbraw/zinc/58/53/20/600585320.db2.gz LNDKWDNUAKWUJW-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM Cc1cccc([C@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738693925 600589408 /nfs/dbraw/zinc/58/94/08/600589408.db2.gz VHEPXUMIHQUIND-AWEZNQCLSA-N -1 0 312.365 3.930 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000738201559 600589721 /nfs/dbraw/zinc/58/97/21/600589721.db2.gz FLTSHMLDKOVJIT-WPRPVWTQSA-N -1 0 315.822 3.572 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1ccc(F)c(Br)c1 ZINC000085158261 600590142 /nfs/dbraw/zinc/59/01/42/600590142.db2.gz 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CC/C(=C/C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736833233 600826459 /nfs/dbraw/zinc/82/64/59/600826459.db2.gz AWQDJQPNFSKZPP-FLIBITNWSA-N -1 0 316.382 3.582 20 0 DHADRM Cc1oc(COC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000738984557 600826963 /nfs/dbraw/zinc/82/69/63/600826963.db2.gz VUICDZMGICUWFY-LSDHHAIUSA-N -1 0 306.358 3.546 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cccc1C(=O)[O-] ZINC000675966606 600830360 /nfs/dbraw/zinc/83/03/60/600830360.db2.gz SEQDXBWPTOFOJT-CABCVRRESA-N -1 0 301.386 3.848 20 0 DHADRM CCCC[C@H](Sc1nnc(-c2cccc(C)c2)o1)C(=O)[O-] ZINC000829296752 600832266 /nfs/dbraw/zinc/83/22/66/600832266.db2.gz YECRXMGPTUINIY-LBPRGKRZSA-N -1 0 306.387 3.781 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCCCCCC1 ZINC000316155111 600832575 /nfs/dbraw/zinc/83/25/75/600832575.db2.gz WBIXSEWBHCKNLE-OAGGEKHMSA-N -1 0 307.434 3.591 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000736772449 600833990 /nfs/dbraw/zinc/83/39/90/600833990.db2.gz CCXRVSSFPDKDER-OCCSQVGLSA-N -1 0 323.820 3.580 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000399724182 600839911 /nfs/dbraw/zinc/83/99/11/600839911.db2.gz IQYZFJPYVHNYPW-KOLCDFICSA-N -1 0 310.781 3.691 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)C2CCCCCCC2)c1 ZINC000388635385 600840514 /nfs/dbraw/zinc/84/05/14/600840514.db2.gz PPAJLCZDARNQOV-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000826841261 600841379 /nfs/dbraw/zinc/84/13/79/600841379.db2.gz ZJNFHIMJLARTHE-GFCCVEGCSA-N -1 0 305.378 3.676 20 0 DHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000307790594 600843736 /nfs/dbraw/zinc/84/37/36/600843736.db2.gz ALNLQCBIVJNWIY-NSHDSACASA-N -1 0 324.808 3.938 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000399723570 600843847 /nfs/dbraw/zinc/84/38/47/600843847.db2.gz IMGDWRPRYSQSSB-KOLCDFICSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000399720618 600843884 /nfs/dbraw/zinc/84/38/84/600843884.db2.gz HPNIXWUNVQGRNL-ZANVPECISA-N -1 0 310.781 3.691 20 0 DHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCc2ccccc2C1 ZINC000766739028 600845313 /nfs/dbraw/zinc/84/53/13/600845313.db2.gz SGPQQDCHULVTTI-LJQANCHMSA-N -1 0 309.365 3.519 20 0 DHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccccc1C(=O)[O-] ZINC000681681522 600849247 /nfs/dbraw/zinc/84/92/47/600849247.db2.gz MQJMZKXQGYDKRD-LBPRGKRZSA-N -1 0 315.344 3.731 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cccc(F)c2Cl)ccc1F ZINC000147346022 600851039 /nfs/dbraw/zinc/85/10/39/600851039.db2.gz VCEKOGUMHDAVLO-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000133324509 600853688 /nfs/dbraw/zinc/85/36/88/600853688.db2.gz ANFITKWLRVJLMK-SECBINFHSA-N -1 0 321.785 3.620 20 0 DHADRM CC1CCC(=CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000736760726 600861682 /nfs/dbraw/zinc/86/16/82/600861682.db2.gz DMGAYEUDZKSOBF-AWKYBWMHSA-N -1 0 313.397 3.728 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736562264 600861767 /nfs/dbraw/zinc/86/17/67/600861767.db2.gz MFMMDPFLSGKKLZ-UKRRQHHQSA-N -1 0 315.413 3.808 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000829305122 600862298 /nfs/dbraw/zinc/86/22/98/600862298.db2.gz RPYXZWCHYBIIKY-JJXSEGSLSA-N -1 0 309.450 3.837 20 0 DHADRM CC(C)(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000325388980 600862745 /nfs/dbraw/zinc/86/27/45/600862745.db2.gz ZGBPCPJXOQRYMK-CQSZACIVSA-N -1 0 323.392 3.569 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000391385026 600871513 /nfs/dbraw/zinc/87/15/13/600871513.db2.gz BKEWGAOVXNTHEM-IAGOWNOFSA-N -1 0 317.429 3.659 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000832887657 600874472 /nfs/dbraw/zinc/87/44/72/600874472.db2.gz URSOEHIFQALHAQ-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC000776650418 600883762 /nfs/dbraw/zinc/88/37/62/600883762.db2.gz HRIYTMLYCZTEMK-OUKQBFOZSA-N -1 0 319.401 3.861 20 0 DHADRM CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000829591663 600886197 /nfs/dbraw/zinc/88/61/97/600886197.db2.gz WDTJBIKTJNBWHH-NWDGAFQWSA-N -1 0 309.793 3.584 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCC(C(C)(C)C)CC1 ZINC000830458343 600886728 /nfs/dbraw/zinc/88/67/28/600886728.db2.gz SXPMVLBOAMYONO-FXQLRMTLSA-N -1 0 323.477 3.941 20 0 DHADRM C/C(=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)C(C)(C)C ZINC000825717367 600892748 /nfs/dbraw/zinc/89/27/48/600892748.db2.gz XLHQFCHQYCKQAB-SRXBQZRASA-N -1 0 301.386 3.584 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCc3cc(Cl)ccc32)C1 ZINC000833186693 600895490 /nfs/dbraw/zinc/89/54/90/600895490.db2.gz UCISRRHQPYFNLA-OLZOCXBDSA-N -1 0 321.804 3.510 20 0 DHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2ccccc2)c1OC ZINC000831913432 600895667 /nfs/dbraw/zinc/89/56/67/600895667.db2.gz PNJJKXIUGYHGEH-LLVKDONJSA-N -1 0 301.342 3.575 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3s2)s1 ZINC000035425563 600901268 /nfs/dbraw/zinc/90/12/68/600901268.db2.gz QLNHZBVZHIEVAV-UHFFFAOYSA-N -1 0 303.364 3.913 20 0 DHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)C3CCCCCCC3)cc21 ZINC000740277277 600902858 /nfs/dbraw/zinc/90/28/58/600902858.db2.gz FQVGUXVGVBKPDU-UHFFFAOYSA-N -1 0 315.373 3.560 20 0 DHADRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C)cc1C ZINC000829591424 600904989 /nfs/dbraw/zinc/90/49/89/600904989.db2.gz SEWMIOBNGOKRPG-HUUCEWRRSA-N -1 0 303.402 3.547 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000830463683 600907940 /nfs/dbraw/zinc/90/79/40/600907940.db2.gz AFIDDVGKWZZTTH-GJZGRUSLSA-N -1 0 311.381 3.694 20 0 DHADRM C[C@H](c1ccccc1)N(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000827941339 600914180 /nfs/dbraw/zinc/91/41/80/600914180.db2.gz KJTVHKZKDFRMAV-FVQBIDKESA-N -1 0 315.413 3.630 20 0 DHADRM CCC(CC)(NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000316952715 600925068 /nfs/dbraw/zinc/92/50/68/600925068.db2.gz HXSGDCFTHYOOGI-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000342571685 600927616 /nfs/dbraw/zinc/92/76/16/600927616.db2.gz RLYPSIGIJPEHCX-HOTGVXAUSA-N -1 0 317.429 3.673 20 0 DHADRM C[C@H](CCc1ccccc1F)C(=O)Oc1ccccc1C(=O)[O-] ZINC000827428079 600938008 /nfs/dbraw/zinc/93/80/08/600938008.db2.gz RANYWFCFAQKBBX-GFCCVEGCSA-N -1 0 316.328 3.698 20 0 DHADRM CC(C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000826676421 600944392 /nfs/dbraw/zinc/94/43/92/600944392.db2.gz IKDUQPILGMMOSS-QGZVFWFLSA-N -1 0 312.365 3.868 20 0 DHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c(C(=O)[O-])c1 ZINC000832953144 600946374 /nfs/dbraw/zinc/94/63/74/600946374.db2.gz NWJVMCACHKNZRF-OXJNMPFZSA-N -1 0 322.360 3.503 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000826820116 600950201 /nfs/dbraw/zinc/95/02/01/600950201.db2.gz NDCOQGKZUXAFCQ-GFCCVEGCSA-N -1 0 310.733 3.742 20 0 DHADRM CC(C)C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000826819769 600956955 /nfs/dbraw/zinc/95/69/55/600956955.db2.gz LUIZOUSEMAMKOF-NSHDSACASA-N -1 0 305.157 3.650 20 0 DHADRM Cc1cc2occ(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])c2cc1C ZINC000832906066 600957494 /nfs/dbraw/zinc/95/74/94/600957494.db2.gz PKFUHVANVHMJFA-INIZCTEOSA-N -1 0 318.369 3.635 20 0 DHADRM O=C([O-])C[C@@H]1CN(Cc2cccc(F)c2F)c2ccccc21 ZINC000316734108 600962304 /nfs/dbraw/zinc/96/23/04/600962304.db2.gz OGPBEPUXDMHKTN-GFCCVEGCSA-N -1 0 303.308 3.543 20 0 DHADRM CCC(CC)(C(=O)Nc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000828770248 600966975 /nfs/dbraw/zinc/96/69/75/600966975.db2.gz GYUOMGIEFQKNHB-UHFFFAOYSA-N -1 0 318.398 3.538 20 0 DHADRM CCSCc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000830169052 600969074 /nfs/dbraw/zinc/96/90/74/600969074.db2.gz MYUTUEHVVVWGOH-KGLIPLIRSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000830169053 600969241 /nfs/dbraw/zinc/96/92/41/600969241.db2.gz MYUTUEHVVVWGOH-UONOGXRCSA-N -1 0 321.442 3.769 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](CC2CC2)c2ccccc2)C1 ZINC000833183366 600971981 /nfs/dbraw/zinc/97/19/81/600971981.db2.gz VRPLEZIWLJPQTP-BBWFWOEESA-N -1 0 315.413 3.535 20 0 DHADRM CN(Cc1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830825391 600982756 /nfs/dbraw/zinc/98/27/56/600982756.db2.gz TZOIRDQZWVOLSX-CYBMUJFWSA-N -1 0 313.781 3.798 20 0 DHADRM CCO[C@H](C)c1nc(COc2cc(C(=O)[O-])ccc2C)cs1 ZINC000737156828 600984126 /nfs/dbraw/zinc/98/41/26/600984126.db2.gz HBGWOAYQVQCUPR-LLVKDONJSA-N -1 0 321.398 3.826 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000094704749 600995165 /nfs/dbraw/zinc/99/51/65/600995165.db2.gz CEFUXYYHADXNRR-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM O=C([O-])c1cccc(OC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000738693301 600995328 /nfs/dbraw/zinc/99/53/28/600995328.db2.gz QHJPVSGHWUBFKB-CQSZACIVSA-N -1 0 314.362 3.570 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000336866113 600995560 /nfs/dbraw/zinc/99/55/60/600995560.db2.gz HMPPXELCQGFKFK-CQSZACIVSA-N -1 0 320.433 3.987 20 0 DHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830163808 600996390 /nfs/dbraw/zinc/99/63/90/600996390.db2.gz FYKGNMXSVQAYLV-LBPRGKRZSA-N -1 0 324.446 3.689 20 0 DHADRM Cc1nc(NC(=O)[C@H](C)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000738360209 600996882 /nfs/dbraw/zinc/99/68/82/600996882.db2.gz KTXXHUMBGYBITJ-SSDOTTSWSA-N -1 0 324.789 3.545 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000832916702 600999195 /nfs/dbraw/zinc/99/91/95/600999195.db2.gz OTVDWVWCVVBSAB-VNHYZAJKSA-N -1 0 316.401 3.784 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 ZINC000740040600 601004128 /nfs/dbraw/zinc/00/41/28/601004128.db2.gz JMFWEZQIZRRPCI-UHFFFAOYSA-N -1 0 314.272 3.914 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1cccc(Cl)c1 ZINC000736219445 601009609 /nfs/dbraw/zinc/00/96/09/601009609.db2.gz YTPAQSPKDBCDRO-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000829044155 601015098 /nfs/dbraw/zinc/01/50/98/601015098.db2.gz MWIPOPLAKNTMAM-QGZVFWFLSA-N -1 0 304.390 3.737 20 0 DHADRM C[C@H](CC(=O)Oc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000736562974 601021920 /nfs/dbraw/zinc/02/19/20/601021920.db2.gz QFJAWCJRENTQRJ-GFCCVEGCSA-N -1 0 316.328 3.552 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)CC/C=C/c1ccccc1 ZINC000739893323 601022235 /nfs/dbraw/zinc/02/22/35/601022235.db2.gz ZAZGNOWLJSQMDC-ONNFQVAWSA-N -1 0 310.349 3.713 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)CC/C=C\c1ccccc1 ZINC000739893325 601022328 /nfs/dbraw/zinc/02/23/28/601022328.db2.gz ZAZGNOWLJSQMDC-WMZJFQQLSA-N -1 0 310.349 3.713 20 0 DHADRM CN(CCc1cccs1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830800759 601022395 /nfs/dbraw/zinc/02/23/95/601022395.db2.gz YBPNSSGQCLNHDW-UHFFFAOYSA-N -1 0 319.386 3.544 20 0 DHADRM CC1(C)CCC(NC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000828060728 601022751 /nfs/dbraw/zinc/02/27/51/601022751.db2.gz YTHIURRKAFOUCO-UHFFFAOYSA-N -1 0 305.378 3.867 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000833289146 601023082 /nfs/dbraw/zinc/02/30/82/601023082.db2.gz OWUZMAHNAXJSBL-HUUCEWRRSA-N -1 0 317.389 3.867 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000829043548 601026560 /nfs/dbraw/zinc/02/65/60/601026560.db2.gz AFFHDNCTQLOMIB-MRXNPFEDSA-N -1 0 308.353 3.568 20 0 DHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC000833157535 601026967 /nfs/dbraw/zinc/02/69/67/601026967.db2.gz RPEWNAOAUZFWLE-QJPTWQEYSA-N -1 0 320.364 3.614 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736562227 601028350 /nfs/dbraw/zinc/02/83/50/601028350.db2.gz LYYXGWLKDYRJJE-CYBMUJFWSA-N -1 0 321.392 3.850 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736562228 601028512 /nfs/dbraw/zinc/02/85/12/601028512.db2.gz LYYXGWLKDYRJJE-ZDUSSCGKSA-N -1 0 321.392 3.850 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000237643180 601030959 /nfs/dbraw/zinc/03/09/59/601030959.db2.gz LHABDDBZEUTZSI-KBXCAEBGSA-N -1 0 323.392 3.651 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829246237 601032682 /nfs/dbraw/zinc/03/26/82/601032682.db2.gz ZJZCUYVNIBOECO-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)CC(C)(C)C ZINC000736546485 601037743 /nfs/dbraw/zinc/03/77/43/601037743.db2.gz ZLHUEMVYOVKZLK-JTQLQIEISA-N -1 0 324.446 3.799 20 0 DHADRM Cc1cc(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)ccc1C(=O)[O-] ZINC000832895912 601040938 /nfs/dbraw/zinc/04/09/38/601040938.db2.gz WPWSKKWIBZMXGB-APWZRJJASA-N -1 0 324.380 3.545 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000829245904 601044946 /nfs/dbraw/zinc/04/49/46/601044946.db2.gz RVXIBVAEGYKWMH-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CC1(C)CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000316165614 601045405 /nfs/dbraw/zinc/04/54/05/601045405.db2.gz IQSANIQDHNPBTD-UHFFFAOYSA-N -1 0 308.353 3.614 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCCCC1 ZINC000827672614 601052727 /nfs/dbraw/zinc/05/27/27/601052727.db2.gz VKNGYYNGYYNQBW-GFCCVEGCSA-N -1 0 319.405 3.545 20 0 DHADRM C[C@H](CN(C/C(Cl)=C\Cl)Cc1ccccc1)C(=O)[O-] ZINC000827450606 601054388 /nfs/dbraw/zinc/05/43/88/601054388.db2.gz YOVSKUWJKXGXHY-ZTFCMROMSA-N -1 0 302.201 3.528 20 0 DHADRM Cc1ccc(CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000832930363 601056023 /nfs/dbraw/zinc/05/60/23/601056023.db2.gz JOAFPHNATKGMMU-UHFFFAOYSA-N -1 0 324.332 3.978 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])o1 ZINC000832930851 601057235 /nfs/dbraw/zinc/05/72/35/601057235.db2.gz RJADEPZMGIACGA-UHFFFAOYSA-N -1 0 307.733 3.511 20 0 DHADRM CC(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826755192 601060797 /nfs/dbraw/zinc/06/07/97/601060797.db2.gz ZWAUZSOSPBWRLJ-GFCCVEGCSA-N -1 0 305.157 3.708 20 0 DHADRM CC/C(=C/C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC000828549549 601060964 /nfs/dbraw/zinc/06/09/64/601060964.db2.gz MNFLWOHWQKZLOC-QXMHVHEDSA-N -1 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CCOc1ccccc1OCCOc1cccc(NC(=O)[O-])c1 ZINC000830117021 601261890 /nfs/dbraw/zinc/26/18/90/601261890.db2.gz MIYGTNBJXWZDTL-UHFFFAOYSA-N -1 0 317.341 3.633 20 0 DHADRM Cc1cscc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000094246372 601275507 /nfs/dbraw/zinc/27/55/07/601275507.db2.gz PTWLNSTXUHOHHW-UHFFFAOYSA-N -1 0 321.423 3.947 20 0 DHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829014053 601275841 /nfs/dbraw/zinc/27/58/41/601275841.db2.gz AHTABCHFGQKREB-LBPRGKRZSA-N -1 0 319.382 3.551 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630773 601278362 /nfs/dbraw/zinc/27/83/62/601278362.db2.gz YAJSGRBDLBIXDW-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM CC(=Cc1ccc(F)cc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000825798519 601279245 /nfs/dbraw/zinc/27/92/45/601279245.db2.gz NPULVZWMJWBIIJ-ZHACJKMWSA-N -1 0 315.300 3.925 20 0 DHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)ccn1 ZINC000262073550 601279383 /nfs/dbraw/zinc/27/93/83/601279383.db2.gz FVSALMOKZGKWQE-KRWDZBQOSA-N -1 0 324.380 3.537 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000763418245 601283515 /nfs/dbraw/zinc/28/35/15/601283515.db2.gz SJPCRMIEFANVQI-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000094913687 601285356 /nfs/dbraw/zinc/28/53/56/601285356.db2.gz HYEHAYGEONNXJO-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828150952 601296198 /nfs/dbraw/zinc/29/61/98/601296198.db2.gz SHCGDWCLIBHAEU-HIFRSBDPSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000237676525 601298190 /nfs/dbraw/zinc/29/81/90/601298190.db2.gz MGVFLPKRGHZHAZ-IAQYHMDHSA-N -1 0 317.772 3.532 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262046972 601304194 /nfs/dbraw/zinc/30/41/94/601304194.db2.gz DXTRBXCGNUVHGE-KBPBESRZSA-N -1 0 323.820 3.593 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000262116544 601305461 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CCc1cnc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000830290634 601356563 /nfs/dbraw/zinc/35/65/63/601356563.db2.gz VHQWJIRWARULJU-AWEZNQCLSA-N -1 0 324.833 3.617 20 0 DHADRM Cc1ccc(-c2nnc([C@H](C)Oc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000832908198 601370191 /nfs/dbraw/zinc/37/01/91/601370191.db2.gz GZCDQSZFGGSPAS-LBPRGKRZSA-N -1 0 324.336 3.883 20 0 DHADRM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828233682 601381170 /nfs/dbraw/zinc/38/11/70/601381170.db2.gz QTGRXYOHNBOPSI-RYUDHWBXSA-N -1 0 319.405 3.747 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000237626708 601393748 /nfs/dbraw/zinc/39/37/48/601393748.db2.gz RVMRXCQNWIKLTO-SJCJKPOMSA-N -1 0 323.348 3.625 20 0 DHADRM O=C([O-])CC1(NC(=S)Nc2ccc3ccccc3c2)CCC1 ZINC000833204666 601394110 /nfs/dbraw/zinc/39/41/10/601394110.db2.gz DPMZOUBSSUKMEX-UHFFFAOYSA-N -1 0 314.410 3.524 20 0 DHADRM C[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C1CCCC1 ZINC000827965596 601394598 /nfs/dbraw/zinc/39/45/98/601394598.db2.gz 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304.367 3.683 20 0 DHADRM CCc1ccccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000830281841 602027221 /nfs/dbraw/zinc/02/72/21/602027221.db2.gz DPJMDEKJNKHLPN-GDBMZVCRSA-N -1 0 318.417 3.794 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000826831715 602035534 /nfs/dbraw/zinc/03/55/34/602035534.db2.gz FUJCHELJOYHKDJ-MRXNPFEDSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])c1cccc(COC(=O)c2cccc(Cl)c2F)c1 ZINC000833329283 602036533 /nfs/dbraw/zinc/03/65/33/602036533.db2.gz KXJQCGWGHBRWJF-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM Cc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1Cl ZINC000318917297 602044609 /nfs/dbraw/zinc/04/46/09/602044609.db2.gz CJEAVQFFHRENQZ-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1c(F)cccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832854705 602045786 /nfs/dbraw/zinc/04/57/86/602045786.db2.gz PJUSZMDEKPAJSG-SWLSCSKDSA-N -1 0 322.380 3.679 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000829254751 602046318 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DHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000738321582 602705347 /nfs/dbraw/zinc/70/53/47/602705347.db2.gz MLCQERLILXVZTR-KRWDZBQOSA-N -1 0 324.380 3.966 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)CC2 ZINC000738296947 602726770 /nfs/dbraw/zinc/72/67/70/602726770.db2.gz CLJQBIVOMKICRV-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000740700101 602784550 /nfs/dbraw/zinc/78/45/50/602784550.db2.gz PZSBRIHUARHKGU-IINYFYTJSA-N -1 0 322.792 3.835 20 0 DHADRM CCN(C(=O)CCC(C)(C)NC(=O)[O-])c1cccc(Cl)c1 ZINC000739378005 602788950 /nfs/dbraw/zinc/78/89/50/602788950.db2.gz OYZWBIJYEFIYTP-UHFFFAOYSA-N -1 0 312.797 3.519 20 0 DHADRM CCN(C(=O)CCC(C)(C)NC(=O)[O-])c1ccccc1Cl ZINC000739379473 602789184 /nfs/dbraw/zinc/78/91/84/602789184.db2.gz DBMGKDHSUVDTQU-UHFFFAOYSA-N -1 0 312.797 3.519 20 0 DHADRM Cc1ccc(C(=O)NC2(C)CCC(C)CC2)cc1NC(=O)[O-] ZINC000830204914 602793456 /nfs/dbraw/zinc/79/34/56/602793456.db2.gz KLTSPYDBYWUGJM-UHFFFAOYSA-N -1 0 304.390 3.784 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(SC(C)(C)C)cc1)NC(=O)[O-] ZINC000824693991 602817337 /nfs/dbraw/zinc/81/73/37/602817337.db2.gz DSBAWSGKJSZREP-JTQLQIEISA-N -1 0 310.419 3.562 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000824058052 602828314 /nfs/dbraw/zinc/82/83/14/602828314.db2.gz VMIBWPKQMZJRDL-OAHLLOKOSA-N -1 0 313.357 3.550 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCCC[C@@H]2c2ccco2)c1 ZINC000740026966 602882074 /nfs/dbraw/zinc/88/20/74/602882074.db2.gz HOEMVPMFYMXKDT-CQSZACIVSA-N -1 0 314.341 3.737 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nccs1 ZINC000736914977 602899009 /nfs/dbraw/zinc/89/90/09/602899009.db2.gz YIXNELXQHLCVFS-NSHDSACASA-N -1 0 320.374 3.506 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)CCCNC(=O)[O-] ZINC000738289774 602952089 /nfs/dbraw/zinc/95/20/89/602952089.db2.gz NOTTXKKFDFBEQD-UHFFFAOYSA-N -1 0 324.446 3.623 20 0 DHADRM Cc1occc1COC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740271221 602964547 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C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739095347 603037259 /nfs/dbraw/zinc/03/72/59/603037259.db2.gz BBJBNMBIGTXGTC-SKDRFNHKSA-N -1 0 309.341 3.616 20 0 DHADRM CCN(Cc1ccoc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739445175 603037787 /nfs/dbraw/zinc/03/77/87/603037787.db2.gz NUBVSRANVWNYIG-UHFFFAOYSA-N -1 0 321.308 3.563 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc3cc[nH]c32)cc1 ZINC000827914220 603039655 /nfs/dbraw/zinc/03/96/55/603039655.db2.gz IGDFJJFOTJBGPG-UHFFFAOYSA-N -1 0 310.309 3.501 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)c2cccs2)cc1 ZINC000827899235 603040123 /nfs/dbraw/zinc/04/01/23/603040123.db2.gz DAPKNJGDKRBINO-UHFFFAOYSA-N -1 0 319.382 3.746 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000823738090 603040374 /nfs/dbraw/zinc/04/03/74/603040374.db2.gz QWVSRJPBDDPTOX-LLVKDONJSA-N -1 0 317.316 3.649 20 0 DHADRM C[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccs1 ZINC000738992091 603040635 /nfs/dbraw/zinc/04/06/35/603040635.db2.gz 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ZINC000740704049 603168296 /nfs/dbraw/zinc/16/82/96/603168296.db2.gz HUVGECBEVLGWCI-UHFFFAOYSA-N -1 0 320.301 3.976 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738801571 603180891 /nfs/dbraw/zinc/18/08/91/603180891.db2.gz RMBGVVFBNWRJRE-OAHLLOKOSA-N -1 0 318.417 3.604 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000825414593 603182330 /nfs/dbraw/zinc/18/23/30/603182330.db2.gz AGBWGBDMQZCJDF-LLVKDONJSA-N -1 0 314.385 3.700 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000830230422 603184058 /nfs/dbraw/zinc/18/40/58/603184058.db2.gz IXBJVSGTZSNMHK-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000825415678 603184659 /nfs/dbraw/zinc/18/46/59/603184659.db2.gz HGEPXVXXWARWNS-WHGQRRHOSA-N -1 0 310.353 3.667 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000825442593 603185477 /nfs/dbraw/zinc/18/54/77/603185477.db2.gz LABXBECMCSLUAQ-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM Cc1cccc(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830494152 603192769 /nfs/dbraw/zinc/19/27/69/603192769.db2.gz YOLRQCAZCOGIRS-CYBMUJFWSA-N -1 0 312.369 3.505 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccccc2F)c(Cl)c1 ZINC000740700876 603200598 /nfs/dbraw/zinc/20/05/98/603200598.db2.gz FBSWCEBBMCOTQP-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM Cc1cc(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)nc(C2CC2)n1 ZINC000830122602 603206885 /nfs/dbraw/zinc/20/68/85/603206885.db2.gz NUKDEAWSJAOOPO-LLVKDONJSA-N -1 0 312.373 3.735 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736761964 603208186 /nfs/dbraw/zinc/20/81/86/603208186.db2.gz IYTDETWPPKPBFY-OSAQELSMSA-N -1 0 302.374 3.570 20 0 DHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000827497781 603208535 /nfs/dbraw/zinc/20/85/35/603208535.db2.gz YYFVIKUWOMUSBR-ZIAGYGMSSA-N -1 0 322.430 3.523 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830353788 603211891 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ZINC000740107476 603299582 /nfs/dbraw/zinc/29/95/82/603299582.db2.gz AAOKNHYEXZXPSK-UHFFFAOYSA-N -1 0 324.380 3.838 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830182198 603307045 /nfs/dbraw/zinc/30/70/45/603307045.db2.gz UIWALXLVBHXTOR-RISCZKNCSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000825888914 603310629 /nfs/dbraw/zinc/31/06/29/603310629.db2.gz RLMZGHPRKDHOFD-NEPJUHHUSA-N -1 0 305.378 3.819 20 0 DHADRM CN(CCc1cccs1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828341572 603311579 /nfs/dbraw/zinc/31/15/79/603311579.db2.gz QJLXAKTZYBFEHT-UHFFFAOYSA-N -1 0 319.386 3.544 20 0 DHADRM CCCN(C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1)C1CC1 ZINC000739345257 603343966 /nfs/dbraw/zinc/34/39/66/603343966.db2.gz WXSXEDBVUXJSLI-UHFFFAOYSA-N -1 0 319.405 3.593 20 0 DHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739227201 603352420 /nfs/dbraw/zinc/35/24/20/603352420.db2.gz RRLLGYFXXPUFST-CHWSQXEVSA-N -1 0 321.421 3.743 20 0 DHADRM CN(Cc1cccc(NC(=O)N2CCCCCCC2)c1)C(=O)[O-] ZINC000739707255 603357725 /nfs/dbraw/zinc/35/77/25/603357725.db2.gz LFYFUEVPIVWFKA-UHFFFAOYSA-N -1 0 319.405 3.594 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@H](C)C(C)(C)C)cc1 ZINC000825434772 603366677 /nfs/dbraw/zinc/36/66/77/603366677.db2.gz YCFIBIBOLADYMJ-NWDGAFQWSA-N -1 0 321.421 3.819 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCC(C)(C)C2)cc1 ZINC000825426771 603380044 /nfs/dbraw/zinc/38/00/44/603380044.db2.gz JJUWDEMSXIZZRJ-LBPRGKRZSA-N -1 0 319.405 3.669 20 0 DHADRM CCN(CC(C)C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827019942 603380530 /nfs/dbraw/zinc/38/05/30/603380530.db2.gz IFICWNRSPAZWQB-GFCCVEGCSA-N -1 0 307.394 3.525 20 0 DHADRM CCCCCCNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826820113 603384862 /nfs/dbraw/zinc/38/48/62/603384862.db2.gz JZBXBWMIBSPDQW-GFCCVEGCSA-N -1 0 307.394 3.717 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000738666365 603388022 /nfs/dbraw/zinc/38/80/22/603388022.db2.gz YEUCDBICZOMIID-UHFFFAOYSA-N -1 0 314.316 3.586 20 0 DHADRM C[C@H](C(=O)Nc1ccccc1NC(=O)[O-])c1cccc(F)c1 ZINC000738636370 603395636 /nfs/dbraw/zinc/39/56/36/603395636.db2.gz DVKYCXDMJNMHPZ-JTQLQIEISA-N -1 0 302.305 3.658 20 0 DHADRM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000738630148 603411069 /nfs/dbraw/zinc/41/10/69/603411069.db2.gz JROWFKHDWMOPFC-VIFPVBQESA-N -1 0 319.748 3.567 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000738667018 603413145 /nfs/dbraw/zinc/41/31/45/603413145.db2.gz LIARXUIXWDPLBI-UHFFFAOYSA-N -1 0 314.272 3.914 20 0 DHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000737676376 603481450 /nfs/dbraw/zinc/48/14/50/603481450.db2.gz KORMOWUCNGECHI-NSHDSACASA-N -1 0 317.316 3.700 20 0 DHADRM Cc1ccc2c(CC(=O)Oc3cccc(NC(=O)[O-])c3)c[nH]c2c1 ZINC000738291727 603483234 /nfs/dbraw/zinc/48/32/34/603483234.db2.gz ABYYWOKTCQCNNC-UHFFFAOYSA-N -1 0 324.336 3.714 20 0 DHADRM Cc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1NC(=O)[O-] ZINC000830230759 603546555 /nfs/dbraw/zinc/54/65/55/603546555.db2.gz PGSYTSCUQZEMKX-UHFFFAOYSA-N -1 0 324.258 3.755 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc3[nH]ccc32)n1 ZINC000824217149 603601536 /nfs/dbraw/zinc/60/15/36/603601536.db2.gz CDGVQNFQKWNKCI-CYBMUJFWSA-N -1 0 314.345 3.573 20 0 DHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1sc2c(c1C)CCCC2 ZINC000826721234 603633501 /nfs/dbraw/zinc/63/35/01/603633501.db2.gz QPXJZQVLFPVAEN-INIZCTEOSA-N -1 0 324.446 3.700 20 0 DHADRM CSCCCCc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000829736944 603645355 /nfs/dbraw/zinc/64/53/55/603645355.db2.gz CONHCXFGRBGRPD-UHFFFAOYSA-N -1 0 307.375 3.512 20 0 DHADRM CCc1ccc(CC)c(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000827583811 603725368 /nfs/dbraw/zinc/72/53/68/603725368.db2.gz MYIILLWFARUVNS-UHFFFAOYSA-N -1 0 318.417 3.576 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C2(c3ccccc3)CC2)n1 ZINC000824217605 603767062 /nfs/dbraw/zinc/76/70/62/603767062.db2.gz HAZXCRGZBNXSEO-CYBMUJFWSA-N -1 0 315.373 3.504 20 0 DHADRM Cc1cccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1Cl ZINC000830516734 603770373 /nfs/dbraw/zinc/77/03/73/603770373.db2.gz KSKTVICIRYTTHG-UHFFFAOYSA-N -1 0 318.760 3.920 20 0 DHADRM Cc1ncccc1NC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000830819249 603771195 /nfs/dbraw/zinc/77/11/95/603771195.db2.gz ZHZDRMJQPGTOAI-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM Cc1cc(F)c(C(=O)Nc2ccccc2NC(=O)[O-])cc1F ZINC000830054461 603825342 /nfs/dbraw/zinc/82/53/42/603825342.db2.gz BQWDDZRTVSTNNC-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C(C)=C2CCCC2)c1 ZINC000829469788 603917237 /nfs/dbraw/zinc/91/72/37/603917237.db2.gz VVTXMUNQQFWZED-UHFFFAOYSA-N -1 0 304.346 3.614 20 0 DHADRM CC(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)=C1CCCC1 ZINC000823711059 603922518 /nfs/dbraw/zinc/92/25/18/603922518.db2.gz AGHOFJPWRMBARJ-GFCCVEGCSA-N -1 0 302.374 3.844 20 0 DHADRM CC(C(=O)Nc1cccc2c1CCN2C(=O)[O-])=C1CCCC1 ZINC000823721850 603954277 /nfs/dbraw/zinc/95/42/77/603954277.db2.gz AJEAHCCBHDGGDH-UHFFFAOYSA-N -1 0 300.358 3.556 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)CC ZINC000828542228 604296745 /nfs/dbraw/zinc/29/67/45/604296745.db2.gz KJOZIDZQSKTAHN-SBRKOABISA-N -1 0 321.804 3.885 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCC[C@@H]1C ZINC000829602264 604305055 /nfs/dbraw/zinc/30/50/55/604305055.db2.gz JHMOXSLIEBBATD-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826924843 604313083 /nfs/dbraw/zinc/31/30/83/604313083.db2.gz QSVALQRURZFOQD-UHFFFAOYSA-N -1 0 301.317 3.579 20 0 DHADRM O=C([O-])c1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)o1 ZINC000833313935 604330772 /nfs/dbraw/zinc/33/07/72/604330772.db2.gz AUNHNJPTDJCIIY-CYBMUJFWSA-N -1 0 321.760 3.635 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C=C1CCCCC1)c1ccccc1 ZINC000826090857 604377841 /nfs/dbraw/zinc/37/78/41/604377841.db2.gz XBXKWXOQORNTEP-QGZVFWFLSA-N -1 0 315.413 3.845 20 0 DHADRM C/C(=C\C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC000825717562 604378889 /nfs/dbraw/zinc/37/88/89/604378889.db2.gz ZUQDMLJWLJWNRU-DBTPVHCXSA-N -1 0 317.429 3.947 20 0 DHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000825995705 604379090 /nfs/dbraw/zinc/37/90/90/604379090.db2.gz RBTKDLUTGAKDCZ-XJKSGUPXSA-N -1 0 317.429 3.781 20 0 DHADRM Cc1cccc(Cl)c1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832968991 604390403 /nfs/dbraw/zinc/39/04/03/604390403.db2.gz FVBDFYPETUNBIR-UHFFFAOYSA-N -1 0 308.692 3.705 20 0 DHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000825610677 604428943 /nfs/dbraw/zinc/42/89/43/604428943.db2.gz IUNMFIFTFSIZAF-GFCCVEGCSA-N -1 0 320.389 3.843 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1CCCC1 ZINC000829027034 604429296 /nfs/dbraw/zinc/42/92/96/604429296.db2.gz MJHIVGXZGTXPKL-INIZCTEOSA-N -1 0 303.402 3.631 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000826631644 604429510 /nfs/dbraw/zinc/42/95/10/604429510.db2.gz LREOCMWNQBPBNG-OAHLLOKOSA-N -1 0 320.389 3.843 20 0 DHADRM CC[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC000828943520 604474845 /nfs/dbraw/zinc/47/48/45/604474845.db2.gz NOYHLTDKEMQDLD-HUUCEWRRSA-N -1 0 320.433 3.572 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000833150560 604491574 /nfs/dbraw/zinc/49/15/74/604491574.db2.gz IJYWQFWYVAISLE-HOSYDEDBSA-N -1 0 308.403 3.537 20 0 DHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828900313 604492254 /nfs/dbraw/zinc/49/22/54/604492254.db2.gz GHLBUBGJWXXHIJ-ZDUSSCGKSA-N -1 0 318.398 3.589 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1F ZINC000832920889 604495306 /nfs/dbraw/zinc/49/53/06/604495306.db2.gz JRFBIYUFSSZZKF-SECBINFHSA-N -1 0 322.361 3.777 20 0 DHADRM C[C@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccccc1F ZINC000833407117 604497385 /nfs/dbraw/zinc/49/73/85/604497385.db2.gz RHPWHUGECWIGTJ-HIFPTAJRSA-N -1 0 308.349 3.506 20 0 DHADRM COc1ccc(C)cc1[C@@H](C)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000833731281 604500321 /nfs/dbraw/zinc/50/03/21/604500321.db2.gz YKJSEKRLINABGL-GFCCVEGCSA-N -1 0 300.358 3.578 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000833342361 604508178 /nfs/dbraw/zinc/50/81/78/604508178.db2.gz KBTXKIXJYBQPAA-LBPRGKRZSA-N -1 0 308.403 3.633 20 0 DHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000828883741 604510891 /nfs/dbraw/zinc/51/08/91/604510891.db2.gz JRJMZSQHRXWSJJ-LLVKDONJSA-N -1 0 318.398 3.762 20 0 DHADRM CC(C)(C)[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833427152 604535845 /nfs/dbraw/zinc/53/58/45/604535845.db2.gz LYZOKNCJFNEAIL-GFCCVEGCSA-N -1 0 304.264 3.519 20 0 DHADRM CC(C)(C)Oc1cccc(CNc2cccc(C(=O)[O-])c2)n1 ZINC000833446581 604536820 /nfs/dbraw/zinc/53/68/20/604536820.db2.gz BVYFOFISWPJCBK-UHFFFAOYSA-N -1 0 300.358 3.569 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)Cc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000832928324 604549084 /nfs/dbraw/zinc/54/90/84/604549084.db2.gz CKFQDCBNSCNMGG-CYBMUJFWSA-N -1 0 316.353 3.750 20 0 DHADRM CC1(C)CCC[C@H](CC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000833561543 604558127 /nfs/dbraw/zinc/55/81/27/604558127.db2.gz QMCZRBMJERXHSN-CQSZACIVSA-N -1 0 318.417 3.999 20 0 DHADRM Cc1cc([C@H](C)OC(=O)C(F)(F)c2ccccc2)oc1C(=O)[O-] ZINC000832876101 604567136 /nfs/dbraw/zinc/56/71/36/604567136.db2.gz QBWVMXPOYQVAJD-JTQLQIEISA-N -1 0 324.279 3.682 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(C)nc2Cl)oc1C(=O)[O-] ZINC000832918595 604567172 /nfs/dbraw/zinc/56/71/72/604567172.db2.gz NIGNHAQRECPGMX-SECBINFHSA-N -1 0 323.732 3.561 20 0 DHADRM CCc1nc(C)c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000830309386 604576142 /nfs/dbraw/zinc/57/61/42/604576142.db2.gz DAYKENFMUIGJIN-VIFPVBQESA-N -1 0 323.370 3.532 20 0 DHADRM Cc1cc([C@H](C)OC(=O)Cc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000832873097 604579644 /nfs/dbraw/zinc/57/96/44/604579644.db2.gz ZFBYLBCOWCIEAT-JTQLQIEISA-N -1 0 322.744 3.787 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833385582 604588055 /nfs/dbraw/zinc/58/80/55/604588055.db2.gz HTCKAOXMFHMADS-UXBLZVDNSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390891736 604589133 /nfs/dbraw/zinc/58/91/33/604589133.db2.gz CDXMWRXUZWHYEC-QWHCGFSZSA-N -1 0 318.417 3.701 20 0 DHADRM CC(C)[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccc(F)cc1 ZINC000833465289 604594019 /nfs/dbraw/zinc/59/40/19/604594019.db2.gz JTCHRJAKHQQFCR-HNNXBMFYSA-N -1 0 320.316 3.600 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2cc(C)c(F)cc2F)oc1C(=O)[O-] ZINC000832868717 604595680 /nfs/dbraw/zinc/59/56/80/604595680.db2.gz RWHFLUJLEZKXQX-VIFPVBQESA-N -1 0 324.279 3.791 20 0 DHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833603781 604600089 /nfs/dbraw/zinc/60/00/89/604600089.db2.gz PRMNQOFMNVOSBL-TXEJJXNPSA-N -1 0 322.430 3.658 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2cc(F)c(C)cc2F)oc1C(=O)[O-] ZINC000832887227 604601199 /nfs/dbraw/zinc/60/11/99/604601199.db2.gz JEJQOOQFEJFNMG-SECBINFHSA-N -1 0 324.279 3.791 20 0 DHADRM CC(C)(C)c1nnc(NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000826528012 604630259 /nfs/dbraw/zinc/63/02/59/604630259.db2.gz CIWOJZNWVBEGFT-UHFFFAOYSA-N -1 0 320.418 3.580 20 0 DHADRM O=C([O-])Cc1cccc(Oc2nc(C(F)(F)F)cs2)c1 ZINC000833268366 604632020 /nfs/dbraw/zinc/63/20/20/604632020.db2.gz NSNNQEWZRMWEJR-UHFFFAOYSA-N -1 0 303.261 3.581 20 0 DHADRM COCc1ccc(CNc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000831817548 604644556 /nfs/dbraw/zinc/64/45/56/604644556.db2.gz PLNKYFAOZNBPEQ-UHFFFAOYSA-N -1 0 300.358 3.559 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000829209161 604645047 /nfs/dbraw/zinc/64/50/47/604645047.db2.gz RIYNTEHQDAUWNA-RKDXNWHRSA-N -1 0 302.827 3.900 20 0 DHADRM CCS[C@@H](C)c1noc(COc2ccc(NC(=O)[O-])cc2)n1 ZINC000827494489 604645877 /nfs/dbraw/zinc/64/58/77/604645877.db2.gz ATZNXSIMVWISBE-VIFPVBQESA-N -1 0 323.374 3.553 20 0 DHADRM C=C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000190869579 604664447 /nfs/dbraw/zinc/66/44/47/604664447.db2.gz MAHJPTNKEHRLNS-CQSZACIVSA-N -1 0 309.365 3.992 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2ccccc2o1)c1cc(F)ccc1F ZINC000683174067 604669569 /nfs/dbraw/zinc/66/95/69/604669569.db2.gz POQCHCHLAHSYTM-INIZCTEOSA-N -1 0 317.291 3.627 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000833401797 604672883 /nfs/dbraw/zinc/67/28/83/604672883.db2.gz ORVULUZXADJPHE-UHFFFAOYSA-N -1 0 302.301 3.614 20 0 DHADRM O=C([O-])CCCCNC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000666558179 604684343 /nfs/dbraw/zinc/68/43/43/604684343.db2.gz BQLYKMFVNFAEPB-INIZCTEOSA-N -1 0 324.465 3.776 20 0 DHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833418480 604694169 /nfs/dbraw/zinc/69/41/69/604694169.db2.gz JNOLZWIVCAAHSB-UHFFFAOYSA-N -1 0 316.328 3.545 20 0 DHADRM Cc1cc([C@@H](C)Sc2ncc3ccccn32)oc1C(=O)[O-] ZINC000832874190 604708856 /nfs/dbraw/zinc/70/88/56/604708856.db2.gz NXYOTLKLNGGIHN-SNVBAGLBSA-N -1 0 302.355 3.787 20 0 DHADRM CC1(C)CN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833560353 604721323 /nfs/dbraw/zinc/72/13/23/604721323.db2.gz QDWDCQVATZQXMC-SFHVURJKSA-N -1 0 323.392 3.537 20 0 DHADRM 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O=C([O-])CCCNC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC001595049636 951463098 /nfs/dbraw/zinc/46/30/98/951463098.db2.gz BZJFTFJWXAWOHH-UHFFFAOYSA-N -1 0 324.465 3.681 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccn(C3CCCC3)n2)c1 ZINC001595066860 951558835 /nfs/dbraw/zinc/55/88/35/951558835.db2.gz YWGLHBPFJZKLJO-UHFFFAOYSA-N -1 0 313.401 3.628 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)OCc1cccc(Cl)c1 ZINC001595137722 952064352 /nfs/dbraw/zinc/06/43/52/952064352.db2.gz JLHBNEYTODHGGD-UHFFFAOYSA-N -1 0 320.728 3.683 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H](F)CC1CCCCC1 ZINC001595138480 952068858 /nfs/dbraw/zinc/06/88/58/952068858.db2.gz PRIFBIUWVKKNRT-CQSZACIVSA-N -1 0 307.365 3.561 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCC(F)F)c1 ZINC001595138472 952068921 /nfs/dbraw/zinc/06/89/21/952068921.db2.gz OVUDWABEQHQBBE-UHFFFAOYSA-N -1 0 321.323 3.570 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)cc1 ZINC001595214321 952366079 /nfs/dbraw/zinc/36/60/79/952366079.db2.gz VGMPEQVOVJDJQX-UHFFFAOYSA-N -1 0 313.328 3.581 20 0 DHADRM CC(C)(C)Oc1ccncc1NCc1cccc(C(=O)[O-])c1 ZINC001602921346 971877432 /nfs/dbraw/zinc/87/74/32/971877432.db2.gz JPJDPPRGBGRQEP-UHFFFAOYSA-N -1 0 300.358 3.569 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C\C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001589269233 953398263 /nfs/dbraw/zinc/39/82/63/953398263.db2.gz RZIAIXPTUNCISY-XMUKTGPTSA-N -1 0 321.461 3.574 20 0 DHADRM C[C@H]1CCCN(C(=O)CCCCCc2cccs2)[C@@H]1C(=O)[O-] ZINC000424267868 953445997 /nfs/dbraw/zinc/44/59/97/953445997.db2.gz VPUWGTMKNVGSMG-BBRMVZONSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(-c2ccccc2)c(C)c1)C(=O)[O-] ZINC001593618517 953508103 /nfs/dbraw/zinc/50/81/03/953508103.db2.gz SXLAOMMNWCFEKO-INIZCTEOSA-N -1 0 312.369 3.647 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC000516867465 953542556 /nfs/dbraw/zinc/54/25/56/953542556.db2.gz YDLBGOLCQOVEKB-SKDRFNHKSA-N -1 0 324.808 3.531 20 0 DHADRM CCc1c2ccccc2oc1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001593626610 953554336 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C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001589319711 953849020 /nfs/dbraw/zinc/84/90/20/953849020.db2.gz POECRGITXHYSPR-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1C ZINC000647700671 953969794 /nfs/dbraw/zinc/96/97/94/953969794.db2.gz WNYKTHAWASBFFD-UHFFFAOYSA-N -1 0 324.808 3.675 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000647736925 953972419 /nfs/dbraw/zinc/97/24/19/953972419.db2.gz VODOEBRLWSOFPN-LDYMZIIASA-N -1 0 318.200 3.527 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001602970722 971977660 /nfs/dbraw/zinc/97/76/60/971977660.db2.gz RXTPDSSZULMPQW-JTQLQIEISA-N -1 0 321.320 3.594 20 0 DHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001589338239 954013975 /nfs/dbraw/zinc/01/39/75/954013975.db2.gz UOKDRGRWGPYJEX-YPUOHESYSA-N -1 0 311.337 3.531 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)c1cccc(F)c1)CC(=O)[O-] ZINC000652087833 954045001 /nfs/dbraw/zinc/04/50/01/954045001.db2.gz 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955658043 /nfs/dbraw/zinc/65/80/43/955658043.db2.gz CRGBXCQFKMCZFE-UHFFFAOYSA-N -1 0 318.200 3.600 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC001589088535 955919533 /nfs/dbraw/zinc/91/95/33/955919533.db2.gz YXHJUFSULYKYEM-ZBEGNZNMSA-N -1 0 317.360 3.513 20 0 DHADRM C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1csc2ccccc21 ZINC001589091747 955947584 /nfs/dbraw/zinc/94/75/84/955947584.db2.gz VLGVDPNHCMXPKJ-NSHDSACASA-N -1 0 317.410 3.724 20 0 DHADRM Cc1cc(NC(=O)c2conc2C2CCCC2)ccc1C(=O)[O-] ZINC000868434605 956011406 /nfs/dbraw/zinc/01/14/06/956011406.db2.gz GZEQYEIDUYCHJD-UHFFFAOYSA-N -1 0 314.341 3.591 20 0 DHADRM CO[C@@](C)(C(=O)[O-])C(=O)OC1CCCCCCCCCCC1 ZINC001593930723 956175809 /nfs/dbraw/zinc/17/58/09/956175809.db2.gz MSNZPFKGUUXOBT-KRWDZBQOSA-N -1 0 314.422 3.693 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-] ZINC000900347165 956296208 /nfs/dbraw/zinc/29/62/08/956296208.db2.gz TYQKIYPBJIKZFW-ZDUSSCGKSA-N -1 0 316.357 3.548 20 0 DHADRM 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ZINC000034634023 957193272 /nfs/dbraw/zinc/19/32/72/957193272.db2.gz YHKGAZZGYJADKH-HNNXBMFYSA-N -1 0 311.381 3.721 20 0 DHADRM O=C([O-])c1cnc(Sc2cc(F)ccc2F)c(Cl)c1 ZINC000035676153 957216589 /nfs/dbraw/zinc/21/65/89/957216589.db2.gz UFSXPEWQMIOIIE-UHFFFAOYSA-N -1 0 301.701 3.863 20 0 DHADRM O=C([O-])c1cccc(OCCOc2ccc(F)c(Cl)c2)c1 ZINC000035731779 957222786 /nfs/dbraw/zinc/22/27/86/957222786.db2.gz XLXRALXTTZEQCI-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCCC(=O)[O-] ZINC000036137364 957225718 /nfs/dbraw/zinc/22/57/18/957225718.db2.gz WRKDBRUAZNVIRY-UHFFFAOYSA-N -1 0 318.200 3.597 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)s1 ZINC000036977873 957256374 /nfs/dbraw/zinc/25/63/74/957256374.db2.gz NJAPCUMHJHDBKN-UHFFFAOYSA-N -1 0 309.774 3.969 20 0 DHADRM O=C([O-])c1ccc(NCc2cc(Br)ccc2F)cc1 ZINC000037116837 957264162 /nfs/dbraw/zinc/26/41/62/957264162.db2.gz TXEWGPNQFNVWKJ-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM CCCc1sc(C(=O)NCCCCCC(=O)[O-])cc1CC ZINC000037430194 957284545 /nfs/dbraw/zinc/28/45/45/957284545.db2.gz FVWVAVJMAMVKGG-UHFFFAOYSA-N -1 0 311.447 3.638 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccccc1-c1cccs1 ZINC000037795003 957329230 /nfs/dbraw/zinc/32/92/30/957329230.db2.gz HGVOLVVKWPLJEF-UHFFFAOYSA-N -1 0 303.383 3.999 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040162491 957359440 /nfs/dbraw/zinc/35/94/40/957359440.db2.gz IWSQJCFXTIGIOF-UHFFFAOYSA-N -1 0 305.399 3.601 20 0 DHADRM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000039894843 957359497 /nfs/dbraw/zinc/35/94/97/957359497.db2.gz ZICLFCRMXFSOHC-UHFFFAOYSA-N -1 0 309.243 3.656 20 0 DHADRM CC(C)(C)c1cnc(COc2ccc(Cl)cc2C(=O)[O-])o1 ZINC000048763420 957460109 /nfs/dbraw/zinc/46/01/09/957460109.db2.gz RTVRKZVDCBVQMO-UHFFFAOYSA-N -1 0 309.749 3.903 20 0 DHADRM CCCCN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000048996656 957471538 /nfs/dbraw/zinc/47/15/38/957471538.db2.gz IUZBLJUNSQOLRO-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM CCCOc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Cl ZINC000061835196 957589374 /nfs/dbraw/zinc/58/93/74/957589374.db2.gz BCKWHKSBKBMVRD-JTQLQIEISA-N -1 0 313.781 3.568 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000061836563 957591126 /nfs/dbraw/zinc/59/11/26/957591126.db2.gz NTVLCYWHSXVRMR-RISCZKNCSA-N -1 0 309.793 3.504 20 0 DHADRM O=C([O-])c1ccc(CSc2nc3ccccc3[nH]2)c(F)c1 ZINC000062764988 957611122 /nfs/dbraw/zinc/61/11/22/957611122.db2.gz AYTUXTUQHQHXRF-UHFFFAOYSA-N -1 0 302.330 3.693 20 0 DHADRM CC(C)COc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000066144667 957642758 /nfs/dbraw/zinc/64/27/58/957642758.db2.gz KIZIGOBAGADMPG-UHFFFAOYSA-N -1 0 314.337 3.639 20 0 DHADRM CCCCOc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000066144304 957642794 /nfs/dbraw/zinc/64/27/94/957642794.db2.gz XULCBLVJLPYFTN-UHFFFAOYSA-N -1 0 314.337 3.783 20 0 DHADRM O=C([O-])c1cccc(OC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000066144430 957642944 /nfs/dbraw/zinc/64/29/44/957642944.db2.gz CZPFWIFZAGZBSM-UHFFFAOYSA-N -1 0 311.120 3.911 20 0 DHADRM COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000076274996 957748101 /nfs/dbraw/zinc/74/81/01/957748101.db2.gz GGIQRKVMFCPNQG-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c1 ZINC001594282211 957757998 /nfs/dbraw/zinc/75/79/98/957757998.db2.gz OPISRYXQVVCOLD-JSGCOSHPSA-N -1 0 315.413 3.592 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCCc3sccc32)c1 ZINC001594286996 957787666 /nfs/dbraw/zinc/78/76/66/957787666.db2.gz SICJWRUNDIWHFM-CQSZACIVSA-N -1 0 315.394 3.562 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000084154583 957863381 /nfs/dbraw/zinc/86/33/81/957863381.db2.gz OMZIECGRLOWOJP-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM O=C([O-])c1cccc(CNc2ccc(OC(F)F)cc2F)c1 ZINC001574809813 957871300 /nfs/dbraw/zinc/87/13/00/957871300.db2.gz UZDOEOZZACVLEX-UHFFFAOYSA-N -1 0 311.259 3.737 20 0 DHADRM Cc1ccc(CN(C(=O)CC2(CC(=O)[O-])CCCC2)C2CC2)o1 ZINC000390884669 972306161 /nfs/dbraw/zinc/30/61/61/972306161.db2.gz HLGJIYYEGXYLIY-UHFFFAOYSA-N -1 0 319.401 3.504 20 0 DHADRM C[C@@H](c1ccccc1F)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000390894491 972307040 /nfs/dbraw/zinc/30/70/40/972307040.db2.gz OAYQRORDAFUDRT-ZDUSSCGKSA-N -1 0 321.392 3.770 20 0 DHADRM Cc1cc(Cl)ccc1OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594308259 957991034 /nfs/dbraw/zinc/99/10/34/957991034.db2.gz VCKWFFJGPWFOSE-DAXSKMNVSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)Nc1ccccc1C(=O)[O-] ZINC001594310089 958002020 /nfs/dbraw/zinc/00/20/20/958002020.db2.gz BFGCMVXIAKEVRL-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594310392 958006049 /nfs/dbraw/zinc/00/60/49/958006049.db2.gz SCJGECYPJAQVOL-SJCJKPOMSA-N -1 0 306.333 3.549 20 0 DHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603207293 972316024 /nfs/dbraw/zinc/31/60/24/972316024.db2.gz NWJINFGOKSXXHJ-NSHDSACASA-N -1 0 318.398 3.541 20 0 DHADRM Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000088713791 958065642 /nfs/dbraw/zinc/06/56/42/958065642.db2.gz ADPGGYSXSQVVRR-UHFFFAOYSA-N -1 0 301.289 3.759 20 0 DHADRM Cc1cc(NC(=O)N[C@@H]2CCCC3(CC3)C2)ccc1C(=O)[O-] ZINC001594319840 958117073 /nfs/dbraw/zinc/11/70/73/958117073.db2.gz FYIANMSAVYSPMS-CYBMUJFWSA-N -1 0 302.374 3.538 20 0 DHADRM Cc1cc(NC(=O)c2ocnc2-c2ccccc2)ccc1C(=O)[O-] ZINC001594325012 958156858 /nfs/dbraw/zinc/15/68/58/958156858.db2.gz QHNMOZXSAYWSKA-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)nc(-c2cccnc2)n1 ZINC001594325371 958163812 /nfs/dbraw/zinc/16/38/12/958163812.db2.gz TUFXJZIRZJRTAL-UHFFFAOYSA-N -1 0 320.352 3.597 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000339960155 1013168829 /nfs/dbraw/zinc/16/88/29/1013168829.db2.gz NFPDHQCYXBVFIS-LBPRGKRZSA-N -1 0 315.756 3.744 20 0 DHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1 ZINC000093432244 958243901 /nfs/dbraw/zinc/24/39/01/958243901.db2.gz HZHZOJUPYDLDEY-UHFFFAOYSA-N -1 0 301.264 3.532 20 0 DHADRM COc1ccc([C@@H](OC(=O)CCCCC(=O)[O-])C2CC2)c(C)c1 ZINC001594082747 958282454 /nfs/dbraw/zinc/28/24/54/958282454.db2.gz DPWXYSYTFSMBNV-SFHVURJKSA-N -1 0 320.385 3.643 20 0 DHADRM C[C@](NC(=O)C[C@H]1CCCCC1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603220637 972341801 /nfs/dbraw/zinc/34/18/01/972341801.db2.gz VGDDZCWOOTXWLC-DNVCBOLYSA-N -1 0 317.429 3.709 20 0 DHADRM Cc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001594354801 958403281 /nfs/dbraw/zinc/40/32/81/958403281.db2.gz HFBIPXFVGXQXGL-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001594363401 958474061 /nfs/dbraw/zinc/47/40/61/958474061.db2.gz VUCBNIXHKHTOAB-DAXSKMNVSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1OC(C)C ZINC001594369398 958531743 /nfs/dbraw/zinc/53/17/43/958531743.db2.gz OADDSGTUFJTXPS-INIZCTEOSA-N -1 0 319.401 3.612 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1C ZINC001594370931 958541540 /nfs/dbraw/zinc/54/15/40/958541540.db2.gz MDLUBFHPNJPTOU-CMPLNLGQSA-N -1 0 324.808 3.674 20 0 DHADRM Cc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1Cl ZINC001594372857 958552857 /nfs/dbraw/zinc/55/28/57/958552857.db2.gz VKIURVLUVUYZQS-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588480805 958589786 /nfs/dbraw/zinc/58/97/86/958589786.db2.gz KSBSJLHDWSUZEB-VOGRQWBCSA-N -1 0 315.413 3.644 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001588488546 958635778 /nfs/dbraw/zinc/63/57/78/958635778.db2.gz PWHCILICESSTBA-FYWRMAATSA-N -1 0 315.413 3.583 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3sccc3C(=O)[O-])c2n1 ZINC001594382901 958649217 /nfs/dbraw/zinc/64/92/17/958649217.db2.gz NMKBMYMECMGJFQ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccc2sc(C(=O)Nc3ccc(C(=O)[O-])cn3)cc2c1 ZINC001594385708 958661765 /nfs/dbraw/zinc/66/17/65/958661765.db2.gz FFSAEPFUTBNSPH-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccc2ncnc(Nc3cccc(CCC(=O)[O-])c3)c2c1 ZINC001594386370 958675186 /nfs/dbraw/zinc/67/51/86/958675186.db2.gz UYHHEPQVNSJPRH-UHFFFAOYSA-N -1 0 307.353 3.699 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573389368 958684856 /nfs/dbraw/zinc/68/48/56/958684856.db2.gz DGOMHXUJQMVRNI-QWHCGFSZSA-N -1 0 319.405 3.506 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1cccc(F)c1 ZINC001594388239 958693677 /nfs/dbraw/zinc/69/36/77/958693677.db2.gz SSLHNQYODZCXCU-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001573390568 958694644 /nfs/dbraw/zinc/69/46/44/958694644.db2.gz WWYILAVCTHEAFR-MZYQSODMSA-N -1 0 315.413 3.701 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H](F)CC1CCCCC1)C(=O)[O-] ZINC001573395942 958716839 /nfs/dbraw/zinc/71/68/39/958716839.db2.gz QUPGFTCKSOJEJA-UONOGXRCSA-N -1 0 315.429 3.691 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001573395778 958717174 /nfs/dbraw/zinc/71/71/74/958717174.db2.gz OQNADIDCBBXYMP-HOTGVXAUSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc(C(C)(C)C)s1 ZINC001594391114 958722972 /nfs/dbraw/zinc/72/29/72/958722972.db2.gz UUFMOOOYROGIFN-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594403830 958876221 /nfs/dbraw/zinc/87/62/21/958876221.db2.gz NYGRWOGVBKHUKW-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001594403905 958879582 /nfs/dbraw/zinc/87/95/82/958879582.db2.gz FPYVJRWLTGJKJG-MRXNPFEDSA-N -1 0 319.445 3.727 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)Cc1ccccc1C(=O)[O-] ZINC001594404045 958881377 /nfs/dbraw/zinc/88/13/77/958881377.db2.gz QADNOFSVCBGGBE-UHFFFAOYSA-N -1 0 318.756 3.633 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@@H](C(=O)[O-])C2CC2)c1Cl ZINC001573463677 958930037 /nfs/dbraw/zinc/93/00/37/958930037.db2.gz KRIJLPRKAQFYHS-GFCCVEGCSA-N -1 0 310.777 3.654 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ncccc1C(=O)[O-] ZINC001594410977 958948485 /nfs/dbraw/zinc/94/84/85/958948485.db2.gz HADRNUCKOQNZMN-QWHCGFSZSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1ccccc1-c1cccc(CNc2cnn(CC(=O)[O-])c2)c1 ZINC001594413448 958969845 /nfs/dbraw/zinc/96/98/45/958969845.db2.gz ADXUEAIGDDGNRT-UHFFFAOYSA-N -1 0 321.380 3.555 20 0 DHADRM CC(C)CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C ZINC001573516695 959101918 /nfs/dbraw/zinc/10/19/18/959101918.db2.gz DDYOQFLPCUGONY-CYBMUJFWSA-N -1 0 314.470 3.637 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001594190196 959167817 /nfs/dbraw/zinc/16/78/17/959167817.db2.gz PZBWAURKUQJNRZ-CQSZACIVSA-N -1 0 313.806 3.501 20 0 DHADRM CC(C)Sc1ccc(C(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001573552833 959239349 /nfs/dbraw/zinc/23/93/49/959239349.db2.gz GAMKMPSPMBFQJP-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001594200673 959248206 /nfs/dbraw/zinc/24/82/06/959248206.db2.gz IAHJUAKWNHWKJA-UJICNMFASA-N -1 0 319.744 3.522 20 0 DHADRM Cc1csc2ncnc(NC[C@H](CC(=O)[O-])CC(C)C)c12 ZINC001594440845 959262851 /nfs/dbraw/zinc/26/28/51/959262851.db2.gz RVNZBTNDKWQQGO-NSHDSACASA-N -1 0 307.419 3.549 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573565326 959285126 /nfs/dbraw/zinc/28/51/26/959285126.db2.gz VGYHGUGRWFKLPA-INIZCTEOSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1ccc2occ(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC001573567482 959295720 /nfs/dbraw/zinc/29/57/20/959295720.db2.gz YTPFHLFGIVTKBW-CQSZACIVSA-N -1 0 317.385 3.643 20 0 DHADRM CC(C)c1ccc2occ(C(=O)NC[C@H](C(=O)[O-])C(C)C)c2c1 ZINC001573567481 959296566 /nfs/dbraw/zinc/29/65/66/959296566.db2.gz YTPFHLFGIVTKBW-AWEZNQCLSA-N -1 0 317.385 3.643 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1SCc1ccccc1 ZINC001588585815 959309598 /nfs/dbraw/zinc/30/95/98/959309598.db2.gz PTWIIIPPWPYXCG-GFCCVEGCSA-N -1 0 315.394 3.638 20 0 DHADRM C[C@@H]1C[C@@H](OC(=O)Cc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC001594221111 959375342 /nfs/dbraw/zinc/37/53/42/959375342.db2.gz LEMLRJKYIFDHSP-TZMCWYRMSA-N -1 0 304.386 3.685 20 0 DHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183796329 959448726 /nfs/dbraw/zinc/44/87/26/959448726.db2.gz QXUPANFCAIAPPX-ZDUSSCGKSA-N -1 0 317.341 3.637 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001573610313 959475254 /nfs/dbraw/zinc/47/52/54/959475254.db2.gz FYSITTYLPPBVOO-AATRIKPKSA-N -1 0 321.279 3.741 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CC2=CCCCC2)cc1)C(=O)[O-] ZINC000191442867 959568371 /nfs/dbraw/zinc/56/83/71/959568371.db2.gz RPQKTZOXVPXLPC-ZDUSSCGKSA-N -1 0 301.386 3.779 20 0 DHADRM CCCN(CC1CC1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000192890072 959594293 /nfs/dbraw/zinc/59/42/93/959594293.db2.gz IRVZFSGFWHQLSX-LBPRGKRZSA-N -1 0 321.442 3.514 20 0 DHADRM Cc1ncoc1-c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001594475866 959598930 /nfs/dbraw/zinc/59/89/30/959598930.db2.gz XMDMPDQKXBCHPN-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC001588635628 959655652 /nfs/dbraw/zinc/65/56/52/959655652.db2.gz LLRUFVWYAYXWFP-LSDHHAIUSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001588640794 959689590 /nfs/dbraw/zinc/68/95/90/959689590.db2.gz NOYJCKSDKXWRBI-CHWSQXEVSA-N -1 0 310.777 3.617 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC001588640930 959691506 /nfs/dbraw/zinc/69/15/06/959691506.db2.gz RBWDLAWYQWLEFI-JTQLQIEISA-N -1 0 305.157 3.646 20 0 DHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC001573667296 959700624 /nfs/dbraw/zinc/70/06/24/959700624.db2.gz FDGVCFPATWATHZ-CQSZACIVSA-N -1 0 317.719 3.717 20 0 DHADRM Cc1c(Cl)ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1Cl ZINC001594263090 959718074 /nfs/dbraw/zinc/71/80/74/959718074.db2.gz UJPQBRDTOBUJRV-PRHODGIISA-N -1 0 302.201 3.739 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC001588658075 960421842 /nfs/dbraw/zinc/42/18/42/960421842.db2.gz PPGYRVXRECNEPG-UHFFFAOYSA-N -1 0 318.398 3.682 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)C3CC4(CC4)C3)c2C(=O)[O-])C1 ZINC001573739129 960476356 /nfs/dbraw/zinc/47/63/56/960476356.db2.gz OWDFNYAACSMMTL-VIFPVBQESA-N -1 0 319.426 3.700 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3ccc(Cl)cc3C2)cc1 ZINC001204152837 960602136 /nfs/dbraw/zinc/60/21/36/960602136.db2.gz TWXWETFMZAYYQU-UHFFFAOYSA-N -1 0 301.773 3.597 20 0 DHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC001573776181 960684072 /nfs/dbraw/zinc/68/40/72/960684072.db2.gz KEZCYAMGGHVSIT-AWEZNQCLSA-N -1 0 305.418 3.530 20 0 DHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000236656050 960726146 /nfs/dbraw/zinc/72/61/46/960726146.db2.gz OQISSNVCIOTVTG-CYBMUJFWSA-N -1 0 321.417 3.542 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC001261425559 960729595 /nfs/dbraw/zinc/72/95/95/960729595.db2.gz COBWYFRGCHJSFW-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000236803928 960760689 /nfs/dbraw/zinc/76/06/89/960760689.db2.gz HVQYEVDDFOGNBU-CYBMUJFWSA-N -1 0 307.390 3.695 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H]2CCC(C)C)c1 ZINC001574315017 960778197 /nfs/dbraw/zinc/77/81/97/960778197.db2.gz GWOSKMRCRGTUBE-INIZCTEOSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1ccc(NC2CC(CC(=O)[O-])C2)cc1NC(=O)C(C)(C)C ZINC001262158930 960795415 /nfs/dbraw/zinc/79/54/15/960795415.db2.gz CCQUGKYUSAVZCY-UHFFFAOYSA-N -1 0 318.417 3.645 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001573798480 960799997 /nfs/dbraw/zinc/79/99/97/960799997.db2.gz WIOGCUGPZGKYKJ-LBPRGKRZSA-N -1 0 306.406 3.607 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000659235845 1013199693 /nfs/dbraw/zinc/19/96/93/1013199693.db2.gz DMSFJOGGSVWTOJ-NRXGSXMXSA-N -1 0 317.429 3.502 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000236946919 960808830 /nfs/dbraw/zinc/80/88/30/960808830.db2.gz CRYYLVHOUYZWKV-UHFFFAOYSA-N -1 0 321.760 3.537 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000237005903 960832433 /nfs/dbraw/zinc/83/24/33/960832433.db2.gz NOVSGABAIZOTJB-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc2n[nH]cc21 ZINC001574338145 960919817 /nfs/dbraw/zinc/91/98/17/960919817.db2.gz CAUMQARZSWUTRQ-UHFFFAOYSA-N -1 0 324.340 3.522 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237412771 960930029 /nfs/dbraw/zinc/93/00/29/960930029.db2.gz BEGUGSVNGMUYPR-LLVKDONJSA-N -1 0 317.772 3.871 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237424809 960932183 /nfs/dbraw/zinc/93/21/83/960932183.db2.gz ISVAIXBWNLVRQX-LBPRGKRZSA-N -1 0 323.820 3.521 20 0 DHADRM Cc1cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1Cl ZINC001574341011 960936252 /nfs/dbraw/zinc/93/62/52/960936252.db2.gz FFTXLNFHCFJAGK-HWKANZROSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1C(=O)[O-] ZINC000237663725 960988518 /nfs/dbraw/zinc/98/85/18/960988518.db2.gz QVKDSKRCGJUOQR-UHFFFAOYSA-N -1 0 309.365 3.754 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001321024763 960994693 /nfs/dbraw/zinc/99/46/93/960994693.db2.gz OFKDONYDMXGQFK-ZBFHGGJFSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(C(C)C)n1 ZINC001574356686 961005253 /nfs/dbraw/zinc/00/52/53/961005253.db2.gz FACMAKGUUQVICP-UHFFFAOYSA-N -1 0 313.353 3.569 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001574357033 961007305 /nfs/dbraw/zinc/00/73/05/961007305.db2.gz LLKNJQQURCUOLZ-LJTDUEICSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001322778524 961015127 /nfs/dbraw/zinc/01/51/27/961015127.db2.gz DROHNNGTTOLGFP-LLVKDONJSA-N -1 0 315.344 3.965 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)C)cc1 ZINC001324012243 961023456 /nfs/dbraw/zinc/02/34/56/961023456.db2.gz UHWQKEOACQRGER-GOEBONIOSA-N -1 0 305.418 3.699 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001324966004 961048093 /nfs/dbraw/zinc/04/80/93/961048093.db2.gz BDHLFRFQKLTYCF-ZBFHGGJFSA-N -1 0 323.477 3.942 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574374180 961078018 /nfs/dbraw/zinc/07/80/18/961078018.db2.gz MZUSFMWAGXOWNM-ZYHUDNBSSA-N -1 0 324.808 3.531 20 0 DHADRM CCCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1F ZINC001573849321 961125619 /nfs/dbraw/zinc/12/56/19/961125619.db2.gz AOVICMFIBNHIHT-FPLPWBNLSA-N -1 0 317.316 3.573 20 0 DHADRM CC(C)(C)c1c[nH]c(SCCOc2ccccc2C(=O)[O-])n1 ZINC001588739477 961152307 /nfs/dbraw/zinc/15/23/07/961152307.db2.gz PMQYZFKNVJQPDR-UHFFFAOYSA-N -1 0 320.414 3.577 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cccnc1C(=O)[O-] ZINC001574402433 961242496 /nfs/dbraw/zinc/24/24/96/961242496.db2.gz JUZKSDOJRAJUCB-OLZOCXBDSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001574402451 961244246 /nfs/dbraw/zinc/24/42/46/961244246.db2.gz YUBBRUGKFXZARD-DNVCBOLYSA-N -1 0 317.429 3.699 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCC(C)(C)C(=O)[O-] ZINC001574402828 961245464 /nfs/dbraw/zinc/24/54/64/961245464.db2.gz MENXWHSVDJOWOH-KBPBESRZSA-N -1 0 317.429 3.593 20 0 DHADRM Cc1cccc2c1N(C(=O)Nc1cccc(CCC(=O)[O-])c1)CC2 ZINC001574403836 961249978 /nfs/dbraw/zinc/24/99/78/961249978.db2.gz XQNKFWXKXULSSJ-UHFFFAOYSA-N -1 0 324.380 3.607 20 0 DHADRM CN(C(=O)C1CCC(c2ccccc2)CC1)C(C)(C)CC(=O)[O-] ZINC001329496333 961274385 /nfs/dbraw/zinc/27/43/85/961274385.db2.gz URAXBOXTRWVVTP-UHFFFAOYSA-N -1 0 317.429 3.672 20 0 DHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC001574412848 961307345 /nfs/dbraw/zinc/30/73/45/961307345.db2.gz WQSABOZVWQERQM-MRVPVSSYSA-N -1 0 319.382 3.725 20 0 DHADRM CSc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001331950168 961430494 /nfs/dbraw/zinc/43/04/94/961430494.db2.gz KIDNAIRIYXOZKY-OAHLLOKOSA-N -1 0 307.440 3.560 20 0 DHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001332181929 961518088 /nfs/dbraw/zinc/51/80/88/961518088.db2.gz TYICACKHBHVCDE-UHFFFAOYSA-N -1 0 321.304 3.547 20 0 DHADRM CCOc1cccc(Cl)c1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC001573924592 961542676 /nfs/dbraw/zinc/54/26/76/961542676.db2.gz LMDKHXNJONNNTF-UHFFFAOYSA-N -1 0 313.825 3.671 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1C)C(=O)[O-] ZINC001573930809 961573090 /nfs/dbraw/zinc/57/30/90/961573090.db2.gz JTJWPEUQQKVODI-OAHLLOKOSA-N -1 0 312.369 3.647 20 0 DHADRM CCc1ccc(CN(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001573957046 961678170 /nfs/dbraw/zinc/67/81/70/961678170.db2.gz UTXBSYOWFRKKCC-UHFFFAOYSA-N -1 0 311.381 3.528 20 0 DHADRM CCc1ccc2occ(C(=O)NCc3cccc(C(=O)[O-])c3)c2c1 ZINC001573961518 961690691 /nfs/dbraw/zinc/69/06/91/961690691.db2.gz ZIUYZWZSAMQPFT-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573963053 961692294 /nfs/dbraw/zinc/69/22/94/961692294.db2.gz DXQXOLPUFYXWRT-DLBZAZTESA-N -1 0 309.365 3.689 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2C)C1(C)C ZINC001334357285 961802097 /nfs/dbraw/zinc/80/20/97/961802097.db2.gz DNFHGHGMHRGZNH-HIFRSBDPSA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001588842058 961814777 /nfs/dbraw/zinc/81/47/77/961814777.db2.gz VBVBRKJTCYDYNP-TZMCWYRMSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)C1CCC(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC1 ZINC001588842256 961815871 /nfs/dbraw/zinc/81/58/71/961815871.db2.gz WZBNUODRSQYLIK-UHFFFAOYSA-N -1 0 323.477 3.702 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001588842315 961815951 /nfs/dbraw/zinc/81/59/51/961815951.db2.gz YFEUIXKQJLOXDK-BBRMVZONSA-N -1 0 303.402 3.720 20 0 DHADRM CCCC[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000262720000 961824685 /nfs/dbraw/zinc/82/46/85/961824685.db2.gz UWYCHUTVVWXWNX-ZDUSSCGKSA-N -1 0 304.415 3.543 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000262787131 961864776 /nfs/dbraw/zinc/86/47/76/961864776.db2.gz OZARCPNIFNHCHW-SNVBAGLBSA-N -1 0 321.398 3.642 20 0 DHADRM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262847959 961913662 /nfs/dbraw/zinc/91/36/62/961913662.db2.gz SWSMVKQIDMBYFZ-CYBMUJFWSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588867584 962028342 /nfs/dbraw/zinc/02/83/42/962028342.db2.gz ULARMZDSRWRUET-ODLGNMLASA-N -1 0 319.401 3.712 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc2sccc2c1 ZINC001574580250 962101026 /nfs/dbraw/zinc/10/10/26/962101026.db2.gz KOTUBXNNJAAWEG-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM COc1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000043318789 1013313570 /nfs/dbraw/zinc/31/35/70/1013313570.db2.gz XOUOKDHVBCQUFA-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001588886643 962179062 /nfs/dbraw/zinc/17/90/62/962179062.db2.gz QQWVCOWRNITITB-OAHLLOKOSA-N -1 0 319.788 3.722 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2sccc2c1)C1CCCC1 ZINC001574616955 962229285 /nfs/dbraw/zinc/22/92/85/962229285.db2.gz MDMNDAGUUKHYTI-CQSZACIVSA-N -1 0 303.383 3.731 20 0 DHADRM O=C([O-])[C@H](C(=O)OCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC001574621582 962257258 /nfs/dbraw/zinc/25/72/58/962257258.db2.gz SKVONOLVXWKEFL-QGZVFWFLSA-N -1 0 310.349 3.508 20 0 DHADRM O=C([O-])[C@]1(C(=O)O[C@@H]2CCSc3ccccc32)CC=CCC1 ZINC001574638403 962325924 /nfs/dbraw/zinc/32/59/24/962325924.db2.gz KSFPGUZVPQLDPL-DYVFJYSZSA-N -1 0 318.394 3.578 20 0 DHADRM C[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1cccs1 ZINC000263183392 962339260 /nfs/dbraw/zinc/33/92/60/962339260.db2.gz HNKXKCKLXOFGOQ-MNOVXSKESA-N -1 0 303.383 3.678 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000263202752 962357439 /nfs/dbraw/zinc/35/74/39/962357439.db2.gz KDSBNJNTVMHWJQ-SNVBAGLBSA-N -1 0 315.394 3.677 20 0 DHADRM CC(C)Sc1ccccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001346359417 962361123 /nfs/dbraw/zinc/36/11/23/962361123.db2.gz WQMODKFAZJJVJG-GXTWGEPZSA-N -1 0 321.442 3.560 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263227733 962378665 /nfs/dbraw/zinc/37/86/65/962378665.db2.gz QEFRUQNWBIJNCW-LLVKDONJSA-N -1 0 307.365 3.608 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001347623587 962422466 /nfs/dbraw/zinc/42/24/66/962422466.db2.gz DQOCSHJSLRDTSN-UKRRQHHQSA-N -1 0 320.433 3.603 20 0 DHADRM COc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1F ZINC001348549856 962450787 /nfs/dbraw/zinc/45/07/87/962450787.db2.gz CAEGBMPLEJRVFY-GFCCVEGCSA-N -1 0 317.360 3.710 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263354154 962508306 /nfs/dbraw/zinc/50/83/06/962508306.db2.gz WKYXLQGJQCJCCO-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM CC(C)Oc1cccc([C@H](C)OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001588940373 962523493 /nfs/dbraw/zinc/52/34/93/962523493.db2.gz GGCSGQRXMJVPCO-CFVMTHIKSA-N -1 0 320.385 3.579 20 0 DHADRM Cc1c(NC2CCC(C(=O)[O-])CC2)cccc1-c1ncco1 ZINC000263404025 962568328 /nfs/dbraw/zinc/56/83/28/962568328.db2.gz JBRXTNLIGDGVCH-UHFFFAOYSA-N -1 0 300.358 3.705 20 0 DHADRM C[C@@H](Cc1ccsc1)NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000314825734 1013358053 /nfs/dbraw/zinc/35/80/53/1013358053.db2.gz RSILVSNJHWYIIS-ZDUSSCGKSA-N -1 0 323.458 3.611 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001588969396 962663060 /nfs/dbraw/zinc/66/30/60/962663060.db2.gz CNBDTPPQSFRLRS-INIZCTEOSA-N -1 0 303.402 3.664 20 0 DHADRM CCCc1occc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000263480880 962666638 /nfs/dbraw/zinc/66/66/38/962666638.db2.gz AOEHJLSIZXVSAR-LBPRGKRZSA-N -1 0 315.369 3.748 20 0 DHADRM CC(C)c1cccc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000032698382 1013361910 /nfs/dbraw/zinc/36/19/10/1013361910.db2.gz LQOLELBVYSRPMI-UHFFFAOYSA-N -1 0 306.365 3.904 20 0 DHADRM CC(C)c1nc(NC[C@H](C(=O)[O-])C(C)C)cc(C(C)(C)C)n1 ZINC001588974907 962684445 /nfs/dbraw/zinc/68/44/45/962684445.db2.gz JXTTVPZEMNHIOP-LBPRGKRZSA-N -1 0 307.438 3.666 20 0 DHADRM CCC(CC)(CNC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000263520360 962701143 /nfs/dbraw/zinc/70/11/43/962701143.db2.gz GXGRNWOROABLDT-CQSZACIVSA-N -1 0 305.418 3.578 20 0 DHADRM 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C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000668321392 975997080 /nfs/dbraw/zinc/99/70/80/975997080.db2.gz RXEYQORSCYZCHZ-NSHDSACASA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000668323768 975997486 /nfs/dbraw/zinc/99/74/86/975997486.db2.gz AFXSOVMVEHQZID-SHTZXODSSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000669505811 976008837 /nfs/dbraw/zinc/00/88/37/976008837.db2.gz FBIFOLIXJSOFJR-SNVBAGLBSA-N -1 0 324.808 3.576 20 0 DHADRM CC(C)Oc1ccccc1CN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001591801660 976018954 /nfs/dbraw/zinc/01/89/54/976018954.db2.gz UDAMHRGIUZAKCK-LBPRGKRZSA-N -1 0 303.358 3.616 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000520501374 1014302009 /nfs/dbraw/zinc/30/20/09/1014302009.db2.gz BGUJKIHYOWJZHS-CJNGLKHVSA-N -1 0 321.417 3.544 20 0 DHADRM CC(C)c1[nH]c(CN2CC3(CC3)c3ccccc32)cc1C(=O)[O-] ZINC001591912088 976334926 /nfs/dbraw/zinc/33/49/26/976334926.db2.gz CCCRVXDDZRWYIF-UHFFFAOYSA-N -1 0 310.397 3.888 20 0 DHADRM CC(C)c1c(N[C@H]2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC001591923414 976400792 /nfs/dbraw/zinc/40/07/92/976400792.db2.gz OMWKXDICAXRZQQ-KGLIPLIRSA-N -1 0 313.401 3.661 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC001591943260 976476958 /nfs/dbraw/zinc/47/69/58/976476958.db2.gz QQELYGLORRZPJO-YPMHNXCESA-N -1 0 323.820 3.837 20 0 DHADRM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC001591943273 976478106 /nfs/dbraw/zinc/47/81/06/976478106.db2.gz REIJLVNLNZFNMS-UHFFFAOYSA-N -1 0 321.760 3.685 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1Cl ZINC001591947222 976489388 /nfs/dbraw/zinc/48/93/88/976489388.db2.gz IRAHVWQPGLBOTG-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc2c(c1)CCN([C@H](C)c1nc(C(=O)[O-])co1)C2 ZINC001591974012 976584015 /nfs/dbraw/zinc/58/40/15/976584015.db2.gz NTOKBQOABZFSKB-GFCCVEGCSA-N -1 0 314.385 3.616 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001591982770 976601347 /nfs/dbraw/zinc/60/13/47/976601347.db2.gz GCRMQERNLNZYDZ-QGZVFWFLSA-N -1 0 317.429 3.963 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC001591983900 976605407 /nfs/dbraw/zinc/60/54/07/976605407.db2.gz UJFTWSXBHZPKPD-KTXOBNNYSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001591988171 976615513 /nfs/dbraw/zinc/61/55/13/976615513.db2.gz XUILCLNWTWWHRX-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM CC(C)c1cccc(N(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001591991436 976618211 /nfs/dbraw/zinc/61/82/11/976618211.db2.gz DKTZQMKRFULSSZ-UHFFFAOYSA-N -1 0 313.397 3.910 20 0 DHADRM CC(C)c1cccc(NC(=S)NCc2cc(C(=O)[O-])co2)c1 ZINC001591991942 976621131 /nfs/dbraw/zinc/62/11/31/976621131.db2.gz MUTDOLSQOBGEDM-UHFFFAOYSA-N -1 0 318.398 3.588 20 0 DHADRM CC(C)c1ccccc1OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591997538 976641627 /nfs/dbraw/zinc/64/16/27/976641627.db2.gz BJJRFCMSTZRYKC-BQYQJAHWSA-N -1 0 300.310 3.720 20 0 DHADRM CC(C)c1ccccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591997596 976642805 /nfs/dbraw/zinc/64/28/05/976642805.db2.gz DBUQFZKMJWBCER-UHFFFAOYSA-N -1 0 318.398 3.891 20 0 DHADRM CC(C)c1nc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)sc1C(=O)[O-] ZINC001592021274 976713659 /nfs/dbraw/zinc/71/36/59/976713659.db2.gz AXWIJOXEZVLUJZ-MNOVXSKESA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1ncc(-c2nc3ccc(C(=O)[O-])cc3n2C)s1 ZINC001592031885 976742129 /nfs/dbraw/zinc/74/21/29/976742129.db2.gz JEUGKOYOHYVHCY-UHFFFAOYSA-N -1 0 301.371 3.518 20 0 DHADRM CC(C)c1nnc(CSC[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC001592060977 976811581 /nfs/dbraw/zinc/81/15/81/976811581.db2.gz IGOLLSQULMCDTA-QWRGUYRKSA-N -1 0 314.476 3.786 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000320056086 1014355181 /nfs/dbraw/zinc/35/51/81/1014355181.db2.gz MASRTABXDCENMN-MVOOLVRYSA-N -1 0 311.312 3.575 20 0 DHADRM CC(C)n1ncc2cc(NCc3ccsc3C(=O)[O-])ccc21 ZINC001592162932 977045761 /nfs/dbraw/zinc/04/57/61/977045761.db2.gz KUTCISMISBMLSZ-UHFFFAOYSA-N -1 0 315.398 3.989 20 0 DHADRM C[C@@H](C1CC1)n1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001592180424 977093159 /nfs/dbraw/zinc/09/31/59/977093159.db2.gz BIZFNYDOVHWSMU-JTQLQIEISA-N -1 0 319.792 3.818 20 0 DHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1csc(C2CCCCC2)c1 ZINC001592218713 977385920 /nfs/dbraw/zinc/38/59/20/977385920.db2.gz QKSFONRKUSLOEL-WSKFYRRCSA-N -1 0 307.415 3.555 20 0 DHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccncc1 ZINC001592275025 977552616 /nfs/dbraw/zinc/55/26/16/977552616.db2.gz YYMRNTRUZGORRM-JTQLQIEISA-N -1 0 318.760 3.566 20 0 DHADRM CN(C(=O)Nc1ccc(F)c(C2CC2)c1)C1(C(=O)[O-])CCCC1 ZINC000580877673 1014417100 /nfs/dbraw/zinc/41/71/00/1014417100.db2.gz HIKCZGXSCNJRCK-UHFFFAOYSA-N -1 0 320.364 3.564 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001592344286 977799236 /nfs/dbraw/zinc/79/92/36/977799236.db2.gz BJILLLPUNSMJIH-CJNGLKHVSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1c2ccccc2C(C)(C)C[C@H]1C ZINC001592375736 977912606 /nfs/dbraw/zinc/91/26/06/977912606.db2.gz UYGNZSCJLWBYTM-CHWSQXEVSA-N -1 0 303.402 3.590 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC001592382015 977922371 /nfs/dbraw/zinc/92/23/71/977922371.db2.gz UQEQIFFDISSMQD-ZBEGNZNMSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001592382151 977923670 /nfs/dbraw/zinc/92/36/70/977923670.db2.gz ZDMOYCVGYVCCIV-CORIIIEPSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001592387953 977931667 /nfs/dbraw/zinc/93/16/67/977931667.db2.gz IZCPBSYZRPKYTN-CQSZACIVSA-N -1 0 317.429 3.851 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC001592395037 977949773 /nfs/dbraw/zinc/94/97/73/977949773.db2.gz QIABMZIONFIUAK-CYBMUJFWSA-N -1 0 312.369 3.870 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1c(Cl)ccc2ccccc21 ZINC001592403100 977972404 /nfs/dbraw/zinc/97/24/04/977972404.db2.gz UHSJISHICOQCIS-JTQLQIEISA-N -1 0 306.745 3.900 20 0 DHADRM C[C@@H](CC(=O)[O-])Cc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC001592405639 977976253 /nfs/dbraw/zinc/97/62/53/977976253.db2.gz BDNKSVVPLJNXON-NXEZZACHSA-N -1 0 320.414 3.576 20 0 DHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001592424895 978048858 /nfs/dbraw/zinc/04/88/58/978048858.db2.gz ZHWQBRTVUQHIEG-BONVTDFDSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@@H](CC(=O)OCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC001592430381 978063929 /nfs/dbraw/zinc/06/39/29/978063929.db2.gz ZMUIPDXWIALENH-JTQLQIEISA-N -1 0 318.291 3.607 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001592434131 978072209 /nfs/dbraw/zinc/07/22/09/978072209.db2.gz TXIJWUFXZZEUCG-UWVGGRQHSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@@H](CC(C)(C)C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592440463 978097237 /nfs/dbraw/zinc/09/72/37/978097237.db2.gz ZJUMYLRVJFXWMS-JTQLQIEISA-N -1 0 302.374 3.877 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(-n2cccn2)cc1 ZINC001592446395 978125334 /nfs/dbraw/zinc/12/53/34/978125334.db2.gz XFMDRKHQCOQUHR-ZDUSSCGKSA-N -1 0 301.390 3.564 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001592477908 978247994 /nfs/dbraw/zinc/24/79/94/978247994.db2.gz NZNXSDFEZBINFL-LBPRGKRZSA-N -1 0 309.381 3.706 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001592478258 978250407 /nfs/dbraw/zinc/25/04/07/978250407.db2.gz RZEGVERVTHBOJY-TZMCWYRMSA-N -1 0 303.402 3.664 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001592478269 978251355 /nfs/dbraw/zinc/25/13/55/978251355.db2.gz SHNKXTLWCIPJFO-GFCCVEGCSA-N -1 0 320.433 3.852 20 0 DHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592478527 978252241 /nfs/dbraw/zinc/25/22/41/978252241.db2.gz WNQSPYDDDPPGGS-ZETCQYMHSA-N -1 0 324.324 3.689 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccsc1C(=O)[O-] ZINC001592478839 978254484 /nfs/dbraw/zinc/25/44/84/978254484.db2.gz YZVWWPNGRXYPIM-NSHDSACASA-N -1 0 309.431 3.925 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592479080 978256106 /nfs/dbraw/zinc/25/61/06/978256106.db2.gz YVLAJYIDTZRTJR-ZFWWWQNUSA-N -1 0 311.466 3.989 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592479078 978256640 /nfs/dbraw/zinc/25/66/40/978256640.db2.gz YVLAJYIDTZRTJR-UKRRQHHQSA-N -1 0 311.466 3.989 20 0 DHADRM C/C(=C\C(=O)OCc1occc1C(=O)[O-])c1ccccc1Cl ZINC000736120819 978303516 /nfs/dbraw/zinc/30/35/16/978303516.db2.gz DDVVPABGXFUJMA-CSKARUKUSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@H](CCn1cccn1)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592552037 978436555 /nfs/dbraw/zinc/43/65/55/978436555.db2.gz JGSCLXCKUXNJGN-LLVKDONJSA-N -1 0 315.398 3.687 20 0 DHADRM C[C@@H](CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)CC(C)(C)C ZINC001592610199 978560603 /nfs/dbraw/zinc/56/06/03/978560603.db2.gz FXMCCDRKAXHMIC-ABAIWWIYSA-N -1 0 309.381 3.550 20 0 DHADRM Cc1cc(NC(=S)Nc2ccc(C)cc2)sc1C(=O)[O-] ZINC000738627594 978576392 /nfs/dbraw/zinc/57/63/92/978576392.db2.gz IHZWWBHWMNSPKU-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738637445 978578868 /nfs/dbraw/zinc/57/88/68/978578868.db2.gz DGVBKRGHBQYELU-ZIAGYGMSSA-N -1 0 314.312 3.541 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc2cccc(F)c2o1 ZINC000739473454 978642145 /nfs/dbraw/zinc/64/21/45/978642145.db2.gz YWTVODDLOGVWIC-UHFFFAOYSA-N -1 0 317.247 3.662 20 0 DHADRM O=C([O-])CCC(=O)Nc1ccccc1SCc1ccccc1 ZINC000754391848 978696094 /nfs/dbraw/zinc/69/60/94/978696094.db2.gz CYXNMIZEQODKMZ-UHFFFAOYSA-N -1 0 315.394 3.782 20 0 DHADRM COCc1cc(-c2cc(C)ccc2CCC(=O)[O-])ccc1OC ZINC000581022794 1014517653 /nfs/dbraw/zinc/51/76/53/1014517653.db2.gz IRIBRXQUSGNIAF-UHFFFAOYSA-N -1 0 314.381 3.834 20 0 DHADRM COc1ccc(CNC(=O)CCCCCC(C)C)cc1C(=O)[O-] ZINC000766826291 978725762 /nfs/dbraw/zinc/72/57/62/978725762.db2.gz PBARWJWNTBZCSR-UHFFFAOYSA-N -1 0 321.417 3.616 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)[O-])cc1 ZINC000766884899 978728141 /nfs/dbraw/zinc/72/81/41/978728141.db2.gz XJQADPZMLWGEPJ-UHFFFAOYSA-N -1 0 323.392 3.885 20 0 DHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1F ZINC000767096501 978734852 /nfs/dbraw/zinc/73/48/52/978734852.db2.gz XRYSITRJSNYCLB-UHFFFAOYSA-N -1 0 319.307 3.579 20 0 DHADRM CCC[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000777375467 978777550 /nfs/dbraw/zinc/77/75/50/978777550.db2.gz CNTKTCHYKKDAEE-CYBMUJFWSA-N -1 0 321.373 3.537 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000799247546 978838609 /nfs/dbraw/zinc/83/86/09/978838609.db2.gz UUQDBPITHAGSFC-DZGCQCFKSA-N -1 0 303.402 3.808 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000811819298 978863441 /nfs/dbraw/zinc/86/34/41/978863441.db2.gz NCYVYNMZOUKXFT-WFASDCNBSA-N -1 0 321.804 3.737 20 0 DHADRM Cc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000811822383 978867403 /nfs/dbraw/zinc/86/74/03/978867403.db2.gz GVPBNASOCMOBEE-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1(C)C ZINC000811823945 978868885 /nfs/dbraw/zinc/86/88/85/978868885.db2.gz ZVFDUXJTNBFCFD-SNVBAGLBSA-N -1 0 309.793 3.546 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000823352856 978937831 /nfs/dbraw/zinc/93/78/31/978937831.db2.gz IUASWYFRQGLJQL-GFBZKKKVSA-N -1 0 323.392 3.828 20 0 DHADRM O=C([O-])Nc1cc(C(=O)OCCC2CC2)cc(C(F)(F)F)c1 ZINC000833284832 979140763 /nfs/dbraw/zinc/14/07/63/979140763.db2.gz ZLXLSYPEPNNKJL-UHFFFAOYSA-N -1 0 317.263 3.752 20 0 DHADRM CC[C@H](C)n1ncc(Nc2ncc(C(=O)[O-])cc2Cl)c1C ZINC001595028871 979154154 /nfs/dbraw/zinc/15/41/54/979154154.db2.gz RBDUBQXZDDBCQL-QMMMGPOBSA-N -1 0 308.769 3.653 20 0 DHADRM CC[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001595030371 979166780 /nfs/dbraw/zinc/16/67/80/979166780.db2.gz PHKNZOYRZJVVQQ-OAHLLOKOSA-N -1 0 305.418 3.806 20 0 DHADRM CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)C(C)(C)C ZINC001595030491 979166876 /nfs/dbraw/zinc/16/68/76/979166876.db2.gz PVKILZVCANAODB-HUUCEWRRSA-N -1 0 317.429 3.739 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001595033018 979172121 /nfs/dbraw/zinc/17/21/21/979172121.db2.gz AFYNCQMSKVPNJG-ZMSDIMECSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595035235 979182232 /nfs/dbraw/zinc/18/22/32/979182232.db2.gz AWMRPVWVKHSRNX-KGXGESDWSA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595035310 979183179 /nfs/dbraw/zinc/18/31/79/979183179.db2.gz CGENMMOPQSNIHU-GDBMZVCRSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595036919 979201250 /nfs/dbraw/zinc/20/12/50/979201250.db2.gz ZXPXAFZTZGXDGN-SNVBAGLBSA-N -1 0 312.435 3.516 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595039107 979212573 /nfs/dbraw/zinc/21/25/73/979212573.db2.gz NOVYPDVZEULAJQ-BDAKNGLRSA-N -1 0 322.279 3.869 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001595039092 979212758 /nfs/dbraw/zinc/21/27/58/979212758.db2.gz NLPKOSUBZJNRSU-VHSXEESVSA-N -1 0 318.291 3.968 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595039111 979212863 /nfs/dbraw/zinc/21/28/63/979212863.db2.gz NOVYPDVZEULAJQ-DTWKUNHWSA-N -1 0 322.279 3.869 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001595041809 979229213 /nfs/dbraw/zinc/22/92/13/979229213.db2.gz XLIVDXRTIBZUMY-SSDOTTSWSA-N -1 0 306.692 3.625 20 0 DHADRM C[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)Cc1cccs1 ZINC001592729770 979245589 /nfs/dbraw/zinc/24/55/89/979245589.db2.gz QWHALFLYXZLNPH-SECBINFHSA-N -1 0 310.806 3.785 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2scnc2C2CCCC2)cc1 ZINC000836717669 979248610 /nfs/dbraw/zinc/24/86/10/979248610.db2.gz BRIMNAQARXXTTD-UHFFFAOYSA-N -1 0 316.382 3.751 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc(Cl)cc1Cl ZINC001595045407 979253163 /nfs/dbraw/zinc/25/31/63/979253163.db2.gz MRNHVUKSDSSQPP-UHFFFAOYSA-N -1 0 319.184 3.832 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C\C2CCCCC2)cc1 ZINC000840944630 979283654 /nfs/dbraw/zinc/28/36/54/979283654.db2.gz LHOACIRYYYYQDO-OTAKNEKHSA-N -1 0 301.386 3.950 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C1CC2(CCC2)C1)c1cccc(Cl)c1 ZINC000844155227 979343393 /nfs/dbraw/zinc/34/33/93/979343393.db2.gz NPGJJTKTSHMSSV-AWEZNQCLSA-N -1 0 321.804 3.552 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595075161 979348195 /nfs/dbraw/zinc/34/81/95/979348195.db2.gz LVWOMODPGRSGAP-UHFFFAOYSA-N -1 0 319.445 3.995 20 0 DHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCCC(=O)[O-])C2CC2)cc1 ZINC000844245385 979390762 /nfs/dbraw/zinc/39/07/62/979390762.db2.gz GLPPEZWJRMWYOL-LJQANCHMSA-N -1 0 317.429 3.707 20 0 DHADRM O=C(/C=C/C1CCCCCC1)NCc1ccc(C(=O)[O-])s1 ZINC000846123642 979409015 /nfs/dbraw/zinc/40/90/15/979409015.db2.gz SJJRBFXHHYJQQQ-JXMROGBWSA-N -1 0 307.415 3.589 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595105477 979423280 /nfs/dbraw/zinc/42/32/80/979423280.db2.gz AIHSGCVRSQFURG-STQMWFEESA-N -1 0 305.418 3.961 20 0 DHADRM CCC(CC)N(CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595114460 979465378 /nfs/dbraw/zinc/46/53/78/979465378.db2.gz OLAGHDCWWPKUEN-UHFFFAOYSA-N -1 0 322.405 3.574 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1csc2ccccc21 ZINC000848875076 979479264 /nfs/dbraw/zinc/47/92/64/979479264.db2.gz MWQVSXLPNCTNCH-GHMZBOCLSA-N -1 0 305.399 3.579 20 0 DHADRM O=C([O-])c1sccc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000849173128 979485798 /nfs/dbraw/zinc/48/57/98/979485798.db2.gz MNBOCXIKHDZREL-ZANVPECISA-N -1 0 315.341 3.600 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594077 979504540 /nfs/dbraw/zinc/50/45/40/979504540.db2.gz FWFZIQUFRFUGOO-PKNBQFBNSA-N -1 0 319.401 3.810 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595125570 979508327 /nfs/dbraw/zinc/50/83/27/979508327.db2.gz AKROBKJPQNAXKK-FRQCXROJSA-N -1 0 321.461 3.696 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001595125660 979509298 /nfs/dbraw/zinc/50/92/98/979509298.db2.gz FOSSQHUKSQDIRN-IMJJTQAJSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595125928 979512988 /nfs/dbraw/zinc/51/29/88/979512988.db2.gz PLWDGXSRMZXBOX-CYBMUJFWSA-N -1 0 304.390 3.633 20 0 DHADRM CCCC1CCC(N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851608248 979534767 /nfs/dbraw/zinc/53/47/67/979534767.db2.gz DHDSPTLLLNPIKB-ZRDIBKRKSA-N -1 0 319.401 3.808 20 0 DHADRM CC[C@H](CN1C[C@@H](C(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001595130261 979541010 /nfs/dbraw/zinc/54/10/10/979541010.db2.gz WFSSYLPNAHEZNX-QAPCUYQASA-N -1 0 309.409 3.944 20 0 DHADRM O=C([O-])Cc1cccc(NC/C=C\c2ccc(F)cc2F)c1 ZINC001595132498 979556742 /nfs/dbraw/zinc/55/67/42/979556742.db2.gz IXXQSVGYFDGMAL-RQOWECAXSA-N -1 0 303.308 3.717 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)cc1)C(=O)[O-] ZINC001592858124 979668596 /nfs/dbraw/zinc/66/85/96/979668596.db2.gz OMIPURHUROBMRT-WFASDCNBSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858339 979670645 /nfs/dbraw/zinc/67/06/45/979670645.db2.gz PCMHALAYEKWAGW-VBHSOAQHSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000864108308 979697407 /nfs/dbraw/zinc/69/74/07/979697407.db2.gz UCEIBDSHMYHMCZ-INIZCTEOSA-N -1 0 323.392 3.631 20 0 DHADRM CCC[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)C(C)C ZINC000864226558 979912802 /nfs/dbraw/zinc/91/28/02/979912802.db2.gz JUQMZVOTLJVBBF-ZIAGYGMSSA-N -1 0 303.402 3.664 20 0 DHADRM Cc1cc(C)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000864228869 979921577 /nfs/dbraw/zinc/92/15/77/979921577.db2.gz RLKUVLKKECUKDB-GFCCVEGCSA-N -1 0 315.394 3.584 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C2CCC3(CC3)CC2)c1 ZINC000864232152 979930889 /nfs/dbraw/zinc/93/08/89/979930889.db2.gz MFJOKVJXDGHDKC-MRXNPFEDSA-N -1 0 315.413 3.597 20 0 DHADRM Cc1ccc(-c2ccccc2NC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000864607940 979948905 /nfs/dbraw/zinc/94/89/05/979948905.db2.gz XXKXELKYEGLTLT-SNVBAGLBSA-N -1 0 318.398 3.566 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595210936 979986857 /nfs/dbraw/zinc/98/68/57/979986857.db2.gz MUBRVFVAZZGYSV-HIFRSBDPSA-N -1 0 318.394 3.686 20 0 DHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595218702 980035112 /nfs/dbraw/zinc/03/51/12/980035112.db2.gz KRGOLCKVBARUJZ-HNNXBMFYSA-N -1 0 319.445 3.571 20 0 DHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595221339 980052160 /nfs/dbraw/zinc/05/21/60/980052160.db2.gz CXBFHHDKTOVPPC-UHFFFAOYSA-N -1 0 320.361 3.639 20 0 DHADRM CC[C@H](NC(=O)C1(c2ccc(C(C)C)cc2)CCCC1)C(=O)[O-] ZINC001595236806 980138907 /nfs/dbraw/zinc/13/89/07/980138907.db2.gz NRPVFRRMKPFPHE-INIZCTEOSA-N -1 0 317.429 3.601 20 0 DHADRM CC[C@](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595237043 980140815 /nfs/dbraw/zinc/14/08/15/980140815.db2.gz VDIGIIWNZCRQHX-DEXNDLTESA-N -1 0 317.429 3.565 20 0 DHADRM CC(C)(CC(=O)Nc1cccc(CCC(=O)[O-])c1)CC(F)F ZINC000887328381 980219628 /nfs/dbraw/zinc/21/96/28/980219628.db2.gz WANUIOGITUCNDH-UHFFFAOYSA-N -1 0 313.344 3.714 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CC1(C)C ZINC001595257615 980247729 /nfs/dbraw/zinc/24/77/29/980247729.db2.gz SGARVCKNCGKOAI-CABCVRRESA-N -1 0 318.417 3.650 20 0 DHADRM CCC(NC(=O)Nc1cc(C)cc(C(=O)[O-])c1)(C1CC1)C1CC1 ZINC001595258393 980254728 /nfs/dbraw/zinc/25/47/28/980254728.db2.gz ZWNONDJGDAFDTE-UHFFFAOYSA-N -1 0 316.401 3.784 20 0 DHADRM CC[C@@](NC(=O)O[C@H](C)CC(C)C)(C(=O)[O-])c1ccccc1 ZINC001595258472 980255491 /nfs/dbraw/zinc/25/54/91/980255491.db2.gz QJRMBOIFJHNVKO-DYVFJYSZSA-N -1 0 307.390 3.537 20 0 DHADRM O=C([O-])CCCCCCNC(=O)CC[C@H]1CCc2ccccc21 ZINC000901433856 980281088 /nfs/dbraw/zinc/28/10/88/980281088.db2.gz MGNCYEDFPBECAT-MRXNPFEDSA-N -1 0 317.429 3.648 20 0 DHADRM CC[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1CC1 ZINC001595272148 980290445 /nfs/dbraw/zinc/29/04/45/980290445.db2.gz IUVBGAWDQWQCOX-SFHVURJKSA-N -1 0 323.392 3.970 20 0 DHADRM CC[C@@](NC(=O)c1sccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595276147 980299391 /nfs/dbraw/zinc/29/93/91/980299391.db2.gz DHPFDDJMAWKSDP-HNNXBMFYSA-N -1 0 323.801 3.521 20 0 DHADRM CC[C@H](N[C@H](C)c1c(F)cncc1F)c1ccc(C(=O)[O-])cc1 ZINC001595279613 980321318 /nfs/dbraw/zinc/32/13/18/980321318.db2.gz SXLSSMBAAMVTBB-BMIGLBTASA-N -1 0 320.339 3.860 20 0 DHADRM CC(C)n1cncc1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000901514026 980330504 /nfs/dbraw/zinc/33/05/04/980330504.db2.gz GBVIHWWEZXZDJE-SFHVURJKSA-N -1 0 323.396 3.533 20 0 DHADRM C[C@@H](Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCSCC1 ZINC000901540578 980368673 /nfs/dbraw/zinc/36/86/73/980368673.db2.gz PJYRYCQARHTFCL-SNVBAGLBSA-N -1 0 304.415 3.810 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901607176 980402832 /nfs/dbraw/zinc/40/28/32/980402832.db2.gz 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/nfs/dbraw/zinc/52/15/19/981521519.db2.gz WXNDBRRBPIDDMK-UHFFFAOYSA-N -1 0 300.358 3.636 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2scnc2C2CCCC2)c1 ZINC000909515441 981522043 /nfs/dbraw/zinc/52/20/43/981522043.db2.gz MLGHQLQFMGTIHJ-UHFFFAOYSA-N -1 0 322.411 3.813 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595585887 981527206 /nfs/dbraw/zinc/52/72/06/981527206.db2.gz HTQDCMCZRUEYSD-ZDUSSCGKSA-N -1 0 321.417 3.819 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595585886 981527219 /nfs/dbraw/zinc/52/72/19/981527219.db2.gz HTQDCMCZRUEYSD-CYBMUJFWSA-N -1 0 321.417 3.819 20 0 DHADRM CCC[C@@H](CC)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595585879 981527237 /nfs/dbraw/zinc/52/72/37/981527237.db2.gz HPPATTOQISMVMO-KBMXLJTQSA-N -1 0 303.402 3.630 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595586153 981529816 /nfs/dbraw/zinc/52/98/16/981529816.db2.gz QGNYBMJEASANLW-CVEARBPZSA-N -1 0 311.466 3.846 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595586299 981531502 /nfs/dbraw/zinc/53/15/02/981531502.db2.gz VECDSRRLJIZIOD-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM CCCC(CCC)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001595586504 981533599 /nfs/dbraw/zinc/53/35/99/981533599.db2.gz BPTPBNIWFNRDGD-MRXNPFEDSA-N -1 0 303.402 3.554 20 0 DHADRM CCCC(CCC)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595586868 981536806 /nfs/dbraw/zinc/53/68/06/981536806.db2.gz SFSZADCREUVKRT-SFHVURJKSA-N -1 0 305.418 3.709 20 0 DHADRM CCCC(CCC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001595586953 981537504 /nfs/dbraw/zinc/53/75/04/981537504.db2.gz WNXKXRQFAMKNEJ-HRCADAONSA-N -1 0 309.450 3.695 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595587504 981542423 /nfs/dbraw/zinc/54/24/23/981542423.db2.gz OPBCTQHBIUBAKF-CQSZACIVSA-N -1 0 318.417 3.644 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000909560958 981542999 /nfs/dbraw/zinc/54/29/99/981542999.db2.gz UJIQWRPHDQFQLE-SJXIGLKTSA-N -1 0 321.442 3.643 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001594740677 981603064 /nfs/dbraw/zinc/60/30/64/981603064.db2.gz DZBILUZSEKRQGD-SCZZXKLOSA-N -1 0 318.200 3.624 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC001594741517 981611903 /nfs/dbraw/zinc/61/19/03/981611903.db2.gz WUCFFAZKJFFQSV-AWEZNQCLSA-N -1 0 323.820 3.722 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1 ZINC001595615541 981636857 /nfs/dbraw/zinc/63/68/57/981636857.db2.gz CWTXMWIRHGCAHW-SFHVURJKSA-N -1 0 303.402 3.736 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)NCC2(CC(=O)[O-])CCCC2)C1 ZINC001595616358 981643223 /nfs/dbraw/zinc/64/32/23/981643223.db2.gz SMBPLNQESMXNKY-QGZVFWFLSA-N -1 0 324.465 3.633 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909832402 981649833 /nfs/dbraw/zinc/64/98/33/981649833.db2.gz SOGXEYAGGLONAV-KGLIPLIRSA-N -1 0 311.381 3.925 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909835761 981655820 /nfs/dbraw/zinc/65/58/20/981655820.db2.gz VLODKXFWQKIDGE-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595621467 981700321 /nfs/dbraw/zinc/70/03/21/981700321.db2.gz ISMAWSUNVCXMNN-LLVNNSLESA-N -1 0 319.401 3.714 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595621539 981700970 /nfs/dbraw/zinc/70/09/70/981700970.db2.gz KEYMHPSFSNUUSI-CHWSQXEVSA-N -1 0 319.405 3.508 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595621769 981703140 /nfs/dbraw/zinc/70/31/40/981703140.db2.gz OHSJQTRONGHPDQ-BBRMVZONSA-N -1 0 304.386 3.953 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595621771 981703236 /nfs/dbraw/zinc/70/32/36/981703236.db2.gz OHSJQTRONGHPDQ-CZUORRHYSA-N -1 0 304.386 3.953 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595622165 981707226 /nfs/dbraw/zinc/70/72/26/981707226.db2.gz RSQRVIZTVXVWSP-NVXWUHKLSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595622192 981707434 /nfs/dbraw/zinc/70/74/34/981707434.db2.gz SABYOSUJQJXURE-FXUDXRNXSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595622210 981708222 /nfs/dbraw/zinc/70/82/22/981708222.db2.gz SJJKREGIWMVNKT-HYVNUMGLSA-N -1 0 317.429 3.843 20 0 DHADRM CC(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000910043228 981741786 /nfs/dbraw/zinc/74/17/86/981741786.db2.gz QXIBISUKBCRJAS-SECBINFHSA-N -1 0 315.316 3.607 20 0 DHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C1CC1 ZINC000910104785 981761094 /nfs/dbraw/zinc/76/10/94/981761094.db2.gz ZPNIDKRKOBYHSO-HOTGVXAUSA-N -1 0 315.413 3.630 20 0 DHADRM CCCC[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC001595627581 981774173 /nfs/dbraw/zinc/77/41/73/981774173.db2.gz KNIIUSFKMSNRDX-IIDMSEBBSA-N -1 0 309.450 3.552 20 0 DHADRM CCCC[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C(C)C ZINC001595627643 981774982 /nfs/dbraw/zinc/77/49/82/981774982.db2.gz NVEVIOAYKBCZSV-HZPDHXFCSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC000910194300 981778642 /nfs/dbraw/zinc/77/86/42/981778642.db2.gz GAXDMJVZKBSJKQ-LLVKDONJSA-N -1 0 301.342 3.673 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCC=CCCC1 ZINC001594783374 981794404 /nfs/dbraw/zinc/79/44/04/981794404.db2.gz WSJVKNCMCMBWCX-CRAIPNDOSA-N -1 0 307.434 3.615 20 0 DHADRM CCCC[C@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)C(C)C ZINC001595630359 981818826 /nfs/dbraw/zinc/81/88/26/981818826.db2.gz CVASKXGDOHJISX-ZDUSSCGKSA-N -1 0 308.374 3.761 20 0 DHADRM CCCC[C@@](C)(F)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595631049 981831346 /nfs/dbraw/zinc/83/13/46/981831346.db2.gz ZORXCGVYMDJNSN-MRXNPFEDSA-N -1 0 322.336 3.722 20 0 DHADRM CCCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595631096 981833041 /nfs/dbraw/zinc/83/30/41/981833041.db2.gz BBMJYQUWLCSMSD-UHOFOFEASA-N -1 0 318.417 3.917 20 0 DHADRM CCCC[C@H](CC)CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001595631735 981843902 /nfs/dbraw/zinc/84/39/02/981843902.db2.gz AFZXRTJRFZQQEW-AWEZNQCLSA-N -1 0 305.418 3.536 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595631768 981844032 /nfs/dbraw/zinc/84/40/32/981844032.db2.gz BYAHJPOTZKZDTQ-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595631870 981846180 /nfs/dbraw/zinc/84/61/80/981846180.db2.gz HGCICAIHMRXHQW-HOCLYGCPSA-N -1 0 305.418 3.762 20 0 DHADRM CCCC[C@@H](C)N(CCCC)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595632044 981848704 /nfs/dbraw/zinc/84/87/04/981848704.db2.gz POGQXULOBANSQZ-CYBMUJFWSA-N -1 0 321.421 3.993 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001594791313 981849237 /nfs/dbraw/zinc/84/92/37/981849237.db2.gz HYXFOSSKFNSBNW-IYOUNJFTSA-N -1 0 309.450 3.551 20 0 DHADRM CCCC[C@@H](CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595632502 981856383 /nfs/dbraw/zinc/85/63/83/981856383.db2.gz ZZBITSXJJAABMI-GDBMZVCRSA-N -1 0 311.466 3.990 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595632552 981856405 /nfs/dbraw/zinc/85/64/05/981856405.db2.gz IXROPYUAZVWSSZ-GFCCVEGCSA-N -1 0 308.374 3.905 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595632962 981863551 /nfs/dbraw/zinc/86/35/51/981863551.db2.gz XWDZGUFWBJHDTN-GFCCVEGCSA-N -1 0 310.365 3.965 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594794341 981870848 /nfs/dbraw/zinc/87/08/48/981870848.db2.gz IWPYOOBDGBCECO-VIFPVBQESA-N -1 0 312.797 3.984 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC001594796536 981877546 /nfs/dbraw/zinc/87/75/46/981877546.db2.gz CGNFKIOJRCXNGC-UHFFFAOYSA-N -1 0 311.466 3.846 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NC(C)(C)CC(=O)[O-])CC1 ZINC001594797290 981886144 /nfs/dbraw/zinc/88/61/44/981886144.db2.gz XJYNCQOCYGBYFX-SHYRYGCCSA-N -1 0 323.477 3.989 20 0 DHADRM CCC(C)(C)OCc1ccccc1NCc1cc(C(=O)[O-])no1 ZINC001594814215 981937338 /nfs/dbraw/zinc/93/73/38/981937338.db2.gz IVTKWKLSIMEEGK-UHFFFAOYSA-N -1 0 318.373 3.690 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC001594816001 981948812 /nfs/dbraw/zinc/94/88/12/981948812.db2.gz YQEQSTSVIUUYPF-UHFFFAOYSA-N -1 0 305.418 3.605 20 0 DHADRM CCCC[C@@H](S[C@@H](C)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001595651288 982019577 /nfs/dbraw/zinc/01/95/77/982019577.db2.gz DTZCARHWYQTQDA-JOYOIKCWSA-N -1 0 300.376 3.504 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@](C)(CC)C(=O)[O-])CC1 ZINC001594836124 982036686 /nfs/dbraw/zinc/03/66/86/982036686.db2.gz QXUOPANDDCPCGG-XVJCXKAOSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@H](SCCCN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001595656527 982054014 /nfs/dbraw/zinc/05/40/14/982054014.db2.gz ZLBJKQVEFGDECI-LBPRGKRZSA-N -1 0 319.467 3.620 20 0 DHADRM CCCCC1(C(=O)Oc2cc(/C=C/C(=O)[O-])ccc2OC)CC1 ZINC001595656917 982057842 /nfs/dbraw/zinc/05/78/42/982057842.db2.gz IVJMMZIXTUDZJR-SOFGYWHQSA-N -1 0 318.369 3.669 20 0 DHADRM CCCC[C@H](SCc1cncc(Br)c1)C(=O)[O-] ZINC001595657081 982058698 /nfs/dbraw/zinc/05/86/98/982058698.db2.gz HSXFVYNXHYOKDT-NSHDSACASA-N -1 0 318.236 3.721 20 0 DHADRM CCCC[C@@H](SCc1cncc(Br)c1)C(=O)[O-] ZINC001595657079 982058869 /nfs/dbraw/zinc/05/88/69/982058869.db2.gz HSXFVYNXHYOKDT-LLVKDONJSA-N -1 0 318.236 3.721 20 0 DHADRM CCCC[C@@H](SCc1csc([C@H](C)OC)n1)C(=O)[O-] ZINC001595657677 982065778 /nfs/dbraw/zinc/06/57/78/982065778.db2.gz QCENZCXRUBUUGX-GXSJLCMTSA-N -1 0 303.449 3.727 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H](C)c2cccs2)nc1C(=O)[O-] ZINC000910700457 982071060 /nfs/dbraw/zinc/07/10/60/982071060.db2.gz ZNTUSCINVAFLKI-QMMMGPOBSA-N -1 0 324.427 3.768 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595661453 982075926 /nfs/dbraw/zinc/07/59/26/982075926.db2.gz UIFPPUWPKKIHPJ-IUODEOHRSA-N -1 0 304.390 3.865 20 0 DHADRM CCCCCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001595663466 982083763 /nfs/dbraw/zinc/08/37/63/982083763.db2.gz XEJSAHJHSQRCDH-UHFFFAOYSA-N -1 0 315.163 3.633 20 0 DHADRM CCCCC[C@H](C(=O)NCc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC001595663517 982085152 /nfs/dbraw/zinc/08/51/52/982085152.db2.gz ZQAMKCJQSMHVBZ-AWEZNQCLSA-N -1 0 309.406 3.755 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595666355 982100624 /nfs/dbraw/zinc/10/06/24/982100624.db2.gz JMUHBKFZMIDEOY-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CC1=CC[C@](C)(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CC1 ZINC000910741467 982104057 /nfs/dbraw/zinc/10/40/57/982104057.db2.gz JGONCXAAOJHDFP-INIZCTEOSA-N -1 0 320.414 3.794 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595666842 982108080 /nfs/dbraw/zinc/10/80/80/982108080.db2.gz UOAHOACYQFPVSP-NSHDSACASA-N -1 0 312.435 3.705 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595670107 982117114 /nfs/dbraw/zinc/11/71/14/982117114.db2.gz NIXSBLXTOPMVKP-ZDUSSCGKSA-N -1 0 303.402 3.834 20 0 DHADRM CC/C(C)=C/C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594861033 982143392 /nfs/dbraw/zinc/14/33/92/982143392.db2.gz VKJMOGUHFVKIRV-SIFUEBAJSA-N -1 0 309.793 3.502 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594861942 982152084 /nfs/dbraw/zinc/15/20/84/982152084.db2.gz QRXNZFIMOBZMBA-CPFIRTDXSA-N -1 0 323.820 3.588 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595681779 982164488 /nfs/dbraw/zinc/16/44/88/982164488.db2.gz WBSXZOXOPHCDOO-GFCCVEGCSA-N -1 0 318.200 3.757 20 0 DHADRM CSc1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1C(=O)[O-] ZINC000910947889 982172539 /nfs/dbraw/zinc/17/25/39/982172539.db2.gz QOADAASXAIMDFQ-MRXNPFEDSA-N -1 0 305.399 3.792 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595694685 982213262 /nfs/dbraw/zinc/21/32/62/982213262.db2.gz GVKLPGIZWAIWMP-CYBMUJFWSA-N -1 0 307.390 3.695 20 0 DHADRM CCCCCC[C@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595695369 982218897 /nfs/dbraw/zinc/21/88/97/982218897.db2.gz ULDBQHDUGBMINU-HOCLYGCPSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001595695520 982218982 /nfs/dbraw/zinc/21/89/82/982218982.db2.gz VYYNEJALUCCCSU-WMLDXEAASA-N -1 0 317.429 3.804 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835237 1014817798 /nfs/dbraw/zinc/81/77/98/1014817798.db2.gz FRBGRWBSIRJYOL-QWRGUYRKSA-N -1 0 321.471 3.843 20 0 DHADRM CCCCCC[C@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595697262 982239590 /nfs/dbraw/zinc/23/95/90/982239590.db2.gz JLFRHCPWJNRPFI-AWEZNQCLSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCCC[C@H](CC)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595697288 982239636 /nfs/dbraw/zinc/23/96/36/982239636.db2.gz JWDSONAOFCHUNG-ZDUSSCGKSA-N -1 0 309.406 3.899 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001595698009 982247325 /nfs/dbraw/zinc/24/73/25/982247325.db2.gz PEGPNTGPBSEFIJ-GFCCVEGCSA-N -1 0 306.406 3.902 20 0 DHADRM CCCCCC[C@H](CC)C(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O ZINC001595699137 982256328 /nfs/dbraw/zinc/25/63/28/982256328.db2.gz WEFGFCMEIUAZFT-LBPRGKRZSA-N -1 0 322.405 3.851 20 0 DHADRM CCCCCN(Cc1ccc(F)cc1)c1ncc(C(=O)[O-])cn1 ZINC001595716376 982322101 /nfs/dbraw/zinc/32/21/01/982322101.db2.gz YVNRWOHEHWFEDK-UHFFFAOYSA-N -1 0 317.364 3.511 20 0 DHADRM CCCCCOc1ccc(C(=O)N(CC)C(C)(C)C(=O)[O-])cc1 ZINC001595722191 982339157 /nfs/dbraw/zinc/33/91/57/982339157.db2.gz XCOHUOLWCZHSPB-UHFFFAOYSA-N -1 0 321.417 3.581 20 0 DHADRM CCCCCc1ccc(NC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001595727779 982355156 /nfs/dbraw/zinc/35/51/56/982355156.db2.gz MGOKZDFEWKHVDU-UHFFFAOYSA-N -1 0 314.385 3.708 20 0 DHADRM CCCCCc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001595727764 982355285 /nfs/dbraw/zinc/35/52/85/982355285.db2.gz LHYCVCHNYWZESA-UHFFFAOYSA-N -1 0 318.417 3.938 20 0 DHADRM CCCCN(C)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC001595741132 982401079 /nfs/dbraw/zinc/40/10/79/982401079.db2.gz GFEKZTVQEWEXRA-UHFFFAOYSA-N -1 0 302.374 3.826 20 0 DHADRM CCCCN(CCCC)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595745040 982410557 /nfs/dbraw/zinc/41/05/57/982410557.db2.gz PUDVIKFEIOPEID-UHFFFAOYSA-N -1 0 307.394 3.522 20 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C=Cc1ccc(CCNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588921192 984578176 /nfs/dbraw/zinc/57/81/76/984578176.db2.gz AMBYQYQASGOMJS-UHFFFAOYSA-N -1 0 324.380 3.700 20 0 DHADRM C/C(=C/C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)C(C)(C)C ZINC001588937762 984619082 /nfs/dbraw/zinc/61/90/82/984619082.db2.gz RHQGAOFMFJDENV-QBFSEMIESA-N -1 0 315.413 3.965 20 0 DHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCCC1)c1ccccc1Cl ZINC001588938732 984623960 /nfs/dbraw/zinc/62/39/60/984623960.db2.gz JQKWFIHNZFGADU-BENRWUELSA-N -1 0 321.804 3.647 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001588943920 984642658 /nfs/dbraw/zinc/64/26/58/984642658.db2.gz JAGKOTLJQBTFPB-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C/C(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1cccs1 ZINC001588943971 984643524 /nfs/dbraw/zinc/64/35/24/984643524.db2.gz KSAMMZRPTZWGFU-FPLPWBNLSA-N -1 0 323.320 3.767 20 0 DHADRM C/C(=C\C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588944002 984643599 /nfs/dbraw/zinc/64/35/99/984643599.db2.gz 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CCOC(=O)c1cccc(SCc2ccc(C(=O)[O-])cc2)c1 ZINC001596731211 984999756 /nfs/dbraw/zinc/99/97/56/984999756.db2.gz ZUEKCODTVQHCLJ-UHFFFAOYSA-N -1 0 316.378 3.854 20 0 DHADRM CCO[C@@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(C)C ZINC001596767919 985183088 /nfs/dbraw/zinc/18/30/88/985183088.db2.gz RBXFCWUXRHFCRW-CYBMUJFWSA-N -1 0 321.398 3.599 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2cccc(F)c2C)c1C1CC1 ZINC000656739186 1015109551 /nfs/dbraw/zinc/10/95/51/1015109551.db2.gz WCMXFGMOXNXUHN-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM C[C@H]1CN(c2ccc3cc(F)cc(Cl)c3n2)CC[C@H]1C(=O)[O-] ZINC001599932125 985333786 /nfs/dbraw/zinc/33/37/86/985333786.db2.gz NPROEDONUZVCGH-JOYOIKCWSA-N -1 0 322.767 3.574 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2)C(C)(C)N1C(=O)CCCCC(=O)[O-] ZINC001599934980 985379090 /nfs/dbraw/zinc/37/90/90/985379090.db2.gz NPSRDNHGKWBMQV-HOCLYGCPSA-N -1 0 317.429 3.815 20 0 DHADRM C[C@]1(C(=O)Nc2sccc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599937837 985417944 /nfs/dbraw/zinc/41/79/44/985417944.db2.gz KXMISMMRPPEFNF-WBMJQRKESA-N -1 0 301.367 3.579 20 0 DHADRM C[Si](C)(C)CCCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001599940272 985445739 /nfs/dbraw/zinc/44/57/39/985445739.db2.gz SDWQOTVNKXWOMW-UHFFFAOYSA-N -1 0 321.493 3.608 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001594479505 985516871 /nfs/dbraw/zinc/51/68/71/985516871.db2.gz LOGPOAVYXJSLOK-GMXABZIVSA-N -1 0 320.364 3.566 20 0 DHADRM CCO[C@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001596852643 985586688 /nfs/dbraw/zinc/58/66/88/985586688.db2.gz JOGWUZAZXLHHMF-GJZGRUSLSA-N -1 0 321.417 3.932 20 0 DHADRM CC(=O)Nc1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001589199423 985631413 /nfs/dbraw/zinc/63/14/13/985631413.db2.gz KNROJOAWRMXNPE-UHFFFAOYSA-N -1 0 318.760 3.609 20 0 DHADRM CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001589211716 985705125 /nfs/dbraw/zinc/70/51/25/985705125.db2.gz NMSRNKVDOYRXMJ-LBPRGKRZSA-N -1 0 312.369 3.825 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS[C@@H](C)c1ccccc1F ZINC001599960897 985779195 /nfs/dbraw/zinc/77/91/95/985779195.db2.gz LKYJKUQMHYVNBH-JTQLQIEISA-N -1 0 321.373 3.838 20 0 DHADRM Cc1[nH]c2ccc(C(=O)Oc3ccc(CC(=O)[O-])cc3)cc2c1C ZINC001599964937 985884032 /nfs/dbraw/zinc/88/40/32/985884032.db2.gz CFMCZSGMBXOCAN-UHFFFAOYSA-N -1 0 323.348 3.631 20 0 DHADRM Cc1[nH]c(S[C@H](C(=O)[O-])C(C)(C)C)nc1-c1ccccc1 ZINC001599965320 985892872 /nfs/dbraw/zinc/89/28/72/985892872.db2.gz ABISFDIISWYDAD-CYBMUJFWSA-N -1 0 304.415 3.977 20 0 DHADRM Cc1nc(S[C@H](CC(C)C)C(=O)[O-])[nH]c1Cc1ccccc1 ZINC001599965430 985895070 /nfs/dbraw/zinc/89/50/70/985895070.db2.gz BRLXKGKCICXXAA-OAHLLOKOSA-N -1 0 318.442 3.900 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCCCC1(C)C ZINC001589264359 985933985 /nfs/dbraw/zinc/93/39/85/985933985.db2.gz HZWPBKPBWQBRDR-AWEZNQCLSA-N -1 0 318.369 3.709 20 0 DHADRM CC(=O)c1ccccc1OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589315594 986108578 /nfs/dbraw/zinc/10/85/78/986108578.db2.gz CGZCRSXHNDDLHL-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM C[C@@H](C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001589341849 986258148 /nfs/dbraw/zinc/25/81/48/986258148.db2.gz CAKNIGBSEGRQLQ-GFQSEFKGSA-N -1 0 323.820 3.544 20 0 DHADRM CCOc1cc(CNc2cc(C(=O)[O-])c(C)cc2C)ccc1O ZINC001597038127 986483012 /nfs/dbraw/zinc/48/30/12/986483012.db2.gz FICASIAOIBXNRB-UHFFFAOYSA-N -1 0 315.369 3.718 20 0 DHADRM CCOc1ccc(Cl)c(NC(=O)c2oc(C(=O)[O-])cc2C)c1 ZINC001597105123 986732913 /nfs/dbraw/zinc/73/29/13/986732913.db2.gz CMMHHGDHVFCKGQ-UHFFFAOYSA-N -1 0 323.732 3.591 20 0 DHADRM CCOc1ccc(NC(=O)CC[C@H](C)CC)c(C(=O)[O-])c1F ZINC001597111853 986771928 /nfs/dbraw/zinc/77/19/28/986771928.db2.gz MLFSLFPXDRSUNJ-SNVBAGLBSA-N -1 0 311.353 3.687 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H](C)[C@@H](C)CC)c(C(=O)[O-])c1F ZINC001597112246 986775463 /nfs/dbraw/zinc/77/54/63/986775463.db2.gz KOZVUZRFNBGWFX-UWVGGRQHSA-N -1 0 311.353 3.543 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 ZINC001589461467 986910863 /nfs/dbraw/zinc/91/08/63/986910863.db2.gz DMFPPPUZMUBNOP-ZANVPECISA-N -1 0 323.801 3.593 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 ZINC001589469837 986949043 /nfs/dbraw/zinc/94/90/43/986949043.db2.gz ZKWZEVNNFIFMDJ-MLGOLLRUSA-N -1 0 316.401 3.524 20 0 DHADRM C[C@H]1Sc2ccccc2N(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C ZINC001594665258 986957467 /nfs/dbraw/zinc/95/74/67/986957467.db2.gz CLIUBKGHCKJGMC-VXGBXAGGSA-N -1 0 321.442 3.793 20 0 DHADRM CCOc1ccccc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597167700 986993434 /nfs/dbraw/zinc/99/34/34/986993434.db2.gz AWMSDZCBSXLSKF-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM C/C=C(/C=C/C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)CC ZINC001594676977 987010395 /nfs/dbraw/zinc/01/03/95/987010395.db2.gz GOOZLMZKEQQNSC-HLDLWMEWSA-N -1 0 313.397 3.716 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686236 987063550 /nfs/dbraw/zinc/06/35/50/987063550.db2.gz QGVBZGWJURPRHV-NQHOJNORSA-N -1 0 316.401 3.903 20 0 DHADRM CC/C(=C/C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594691671 987092695 /nfs/dbraw/zinc/09/26/95/987092695.db2.gz WXZAVFOCQXGQMZ-QINSGFPZSA-N -1 0 315.413 3.692 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC001589507631 987123912 /nfs/dbraw/zinc/12/39/12/987123912.db2.gz BQPOQFYQDWJMGI-VXGBXAGGSA-N -1 0 304.390 3.670 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2[C@H](C)CCC[C@H]2C)cc1 ZINC001589512222 987147683 /nfs/dbraw/zinc/14/76/83/987147683.db2.gz IOBRTAUOUOTUAC-UPJWGTAASA-N -1 0 318.417 3.821 20 0 DHADRM CCC(=O)Nc1ccc(C)c(NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001594710545 987170477 /nfs/dbraw/zinc/17/04/77/987170477.db2.gz NQEKACBERYUBFH-UHFFFAOYSA-N -1 0 316.357 3.555 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](F)c2ccccc2)c1 ZINC001589523423 987188688 /nfs/dbraw/zinc/18/86/88/987188688.db2.gz XXVKGCMGPBJCGV-IAQYHMDHSA-N -1 0 301.317 3.524 20 0 DHADRM CCC(=O)c1ccc(C(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001594717119 987191356 /nfs/dbraw/zinc/19/13/56/987191356.db2.gz NXJDSBILWURHIV-UHFFFAOYSA-N -1 0 317.366 3.600 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(Cl)nc2)c1 ZINC001589532220 987211561 /nfs/dbraw/zinc/21/15/61/987211561.db2.gz CLAJNOCXECUVHN-VIFPVBQESA-N -1 0 319.748 3.567 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(CF)cc2)c1 ZINC001589532807 987219252 /nfs/dbraw/zinc/21/92/52/987219252.db2.gz UFNYXRRHXAPLCK-NSHDSACASA-N -1 0 301.317 3.597 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC001589532891 987220086 /nfs/dbraw/zinc/22/00/86/987220086.db2.gz VJUOQMOXORNOES-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)C(C)C ZINC001597251250 987241275 /nfs/dbraw/zinc/24/12/75/987241275.db2.gz JRGCNAFIVGFEMF-AWEZNQCLSA-N -1 0 309.431 3.663 20 0 DHADRM CCS[C@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001597251820 987245206 /nfs/dbraw/zinc/24/52/06/987245206.db2.gz XMKMQLSOZPDVOX-GWCFXTLKSA-N -1 0 314.403 3.668 20 0 DHADRM C[C@@H](C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC001589540608 987245948 /nfs/dbraw/zinc/24/59/48/987245948.db2.gz MROFMIFPGPCGSN-RNCFNFMXSA-N -1 0 314.328 3.501 20 0 DHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC001589540930 987249196 /nfs/dbraw/zinc/24/91/96/987249196.db2.gz USNMBOCDGVKGDK-RNCFNFMXSA-N -1 0 324.785 3.874 20 0 DHADRM C[C@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589544281 987264859 /nfs/dbraw/zinc/26/48/59/987264859.db2.gz XQVFACHEHXMIFA-PELKAZGASA-N -1 0 316.275 3.504 20 0 DHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC001589545860 987266595 /nfs/dbraw/zinc/26/65/95/987266595.db2.gz CHZPRYQKNOSMDS-JTQLQIEISA-N -1 0 314.293 3.571 20 0 DHADRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589547985 987273483 /nfs/dbraw/zinc/27/34/83/987273483.db2.gz WBAWKIBWVVYJHS-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM CC[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1)c1ccccc1 ZINC001594736425 987276862 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ZINC000474436244 1015358986 /nfs/dbraw/zinc/35/89/86/1015358986.db2.gz FAKRVFDOCOXGLS-UHFFFAOYSA-N -1 0 316.719 3.985 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)[C@H]1CCCc2sccc21)C(=O)[O-] ZINC001589760405 988082852 /nfs/dbraw/zinc/08/28/52/988082852.db2.gz RHBDRXITAADHJK-NWDGAFQWSA-N -1 0 310.415 3.601 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(F)c(Cl)c1F)C(=O)[O-] ZINC001589761751 988089888 /nfs/dbraw/zinc/08/98/88/988089888.db2.gz JPCDVXKCIVPEJU-SECBINFHSA-N -1 0 320.719 3.664 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001589761684 988090204 /nfs/dbraw/zinc/09/02/04/988090204.db2.gz FUXUALCRTCNPDY-ZDUSSCGKSA-N -1 0 323.389 3.769 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC001589762121 988097506 /nfs/dbraw/zinc/09/75/06/988097506.db2.gz YDULWJHXOXBIQZ-LLVKDONJSA-N -1 0 320.719 3.664 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001589771855 988126539 /nfs/dbraw/zinc/12/65/39/988126539.db2.gz LJLDVKOHYFTEFI-HNNXBMFYSA-N -1 0 323.408 3.544 20 0 DHADRM CCc1ccc(C2=CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)cc1 ZINC001597516863 988129987 /nfs/dbraw/zinc/12/99/87/988129987.db2.gz GWOXMSUDJNLOCT-LJQANCHMSA-N -1 0 322.408 3.559 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001589784056 988160816 /nfs/dbraw/zinc/16/08/16/988160816.db2.gz IPRPQDTZOCBFRQ-CMPLNLGQSA-N -1 0 324.446 3.561 20 0 DHADRM CCc1ccc(CN(C)c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001597526008 988168709 /nfs/dbraw/zinc/16/87/09/988168709.db2.gz GJMFPNONVDYWDO-UHFFFAOYSA-N -1 0 304.777 3.632 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001589788912 988172785 /nfs/dbraw/zinc/17/27/85/988172785.db2.gz GVIVHLJJHFDTGS-NWDGAFQWSA-N -1 0 324.446 3.561 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597530648 988186544 /nfs/dbraw/zinc/18/65/44/988186544.db2.gz IOHDBWCVUISJGX-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CCc1ccc(N(CC(C)(C)C)C(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001597531962 988192675 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ZINC001597551380 988275273 /nfs/dbraw/zinc/27/52/73/988275273.db2.gz ZDFAWOUUWFGXHU-UHFFFAOYSA-N -1 0 315.344 3.955 20 0 DHADRM CCc1ccc(O)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001597556028 988284780 /nfs/dbraw/zinc/28/47/80/988284780.db2.gz FMIRXIKFULAZDR-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CSc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1C ZINC001599809321 988306164 /nfs/dbraw/zinc/30/61/64/988306164.db2.gz BNESLUJZAFTKET-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)ccc1C ZINC001599809729 988313023 /nfs/dbraw/zinc/31/30/23/988313023.db2.gz NURGXCFASOYEML-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1ccc(C(=O)OC2CCC(CC(=O)[O-])CC2)cc1 ZINC001599810323 988323761 /nfs/dbraw/zinc/32/37/61/988323761.db2.gz QDYTYSUOGUSOSV-UHFFFAOYSA-N -1 0 308.399 3.599 20 0 DHADRM CCc1ccc2ccccc2c1CNC(=O)c1cc(C(=O)[O-])co1 ZINC001597569435 988334864 /nfs/dbraw/zinc/33/48/64/988334864.db2.gz VMFZEVORMCJOJX-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(Cl)cc1 ZINC001597571869 988353024 /nfs/dbraw/zinc/35/30/24/988353024.db2.gz HYJCFXRWBGCILB-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C1(Cc2ccccc2)CC1 ZINC001597575665 988361901 /nfs/dbraw/zinc/36/19/01/988361901.db2.gz CESJRILEIHIRLE-UHFFFAOYSA-N -1 0 323.392 3.909 20 0 DHADRM CSc1ccc(Cl)c(NCc2ncc(C(=O)[O-])s2)c1 ZINC001599813910 988386783 /nfs/dbraw/zinc/38/67/83/988386783.db2.gz BYDRFKRJFIMIBB-UHFFFAOYSA-N -1 0 314.819 3.829 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccccc1SC ZINC001597591698 988415472 /nfs/dbraw/zinc/41/54/72/988415472.db2.gz GOACQZLOSBENGQ-UHFFFAOYSA-N -1 0 315.394 3.921 20 0 DHADRM CCc1cccc(N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001597592354 988418961 /nfs/dbraw/zinc/41/89/61/988418961.db2.gz FTFFFNSGTDJLKZ-UHFFFAOYSA-N -1 0 312.369 3.924 20 0 DHADRM CSc1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)cc1C(=O)[O-] ZINC001599815910 988423181 /nfs/dbraw/zinc/42/31/81/988423181.db2.gz IREBNUBVXHHUEK-MNOVXSKESA-N -1 0 307.415 3.872 20 0 DHADRM CSc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1C(=O)[O-] ZINC001599816006 988425897 /nfs/dbraw/zinc/42/58/97/988425897.db2.gz LPCZUAYPPIFMMO-QWHCGFSZSA-N -1 0 319.426 3.872 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001599816154 988428281 /nfs/dbraw/zinc/42/82/81/988428281.db2.gz BNIOXEKGNCMSEZ-UHFFFAOYSA-N -1 0 320.414 3.515 20 0 DHADRM CSc1ccc(NC(=O)c2occ(C)c2C)cc1C(=O)[O-] ZINC001599821015 988513225 /nfs/dbraw/zinc/51/32/25/988513225.db2.gz UPNRXAAHPPULLI-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001599821235 988516499 /nfs/dbraw/zinc/51/64/99/988516499.db2.gz QCMWWLOCAWOJEQ-UBHSHLNASA-N -1 0 322.426 3.904 20 0 DHADRM CSc1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1C ZINC001599824903 988582025 /nfs/dbraw/zinc/58/20/25/988582025.db2.gz WMGJMAVFXLURDI-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1ccccc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599825047 988584319 /nfs/dbraw/zinc/58/43/19/988584319.db2.gz FFWGEFFNXCFFTJ-UHFFFAOYSA-N -1 0 319.426 3.772 20 0 DHADRM CCc1cnc(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)s1 ZINC001597628763 988588349 /nfs/dbraw/zinc/58/83/49/988588349.db2.gz HWXUNOWGPOHOMT-OAHLLOKOSA-N -1 0 318.442 3.743 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599826152 988601548 /nfs/dbraw/zinc/60/15/48/988601548.db2.gz YZAFKWYMQNHWIZ-YNEHKIRRSA-N -1 0 322.426 3.904 20 0 DHADRM CSc1ccccc1[C@@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599826773 988609679 /nfs/dbraw/zinc/60/96/79/988609679.db2.gz YZAFKWYMQNHWIZ-AGIUHOORSA-N -1 0 322.426 3.904 20 0 DHADRM CCc1nc(C(C)C)ccc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001597653129 988701399 /nfs/dbraw/zinc/70/13/99/988701399.db2.gz WQYKSKVADUGMJJ-UHFFFAOYSA-N -1 0 313.353 3.685 20 0 DHADRM Cc1cc(F)ccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013251687 1015414768 /nfs/dbraw/zinc/41/47/68/1015414768.db2.gz RYLTWEPKQUEEPI-SFHVURJKSA-N -1 0 315.344 3.505 20 0 DHADRM CCc1nc(NC(=O)c2ccccc2C(C)C)sc1C(=O)[O-] ZINC001597685485 988835700 /nfs/dbraw/zinc/83/57/00/988835700.db2.gz VZFJUTYSFBXISR-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1nc2ccccc2c(SCc2ccc(C(=O)[O-])o2)n1 ZINC001597689258 988859428 /nfs/dbraw/zinc/85/94/28/988859428.db2.gz HPKDZVPQOFSPLK-UHFFFAOYSA-N -1 0 314.366 3.776 20 0 DHADRM CC(C)(C)OC(=O)N1CCC=C(c2ccc(F)c(C(=O)[O-])c2)C1 ZINC001590003845 988935697 /nfs/dbraw/zinc/93/56/97/988935697.db2.gz GWKDXRDHMHDMDE-UHFFFAOYSA-N -1 0 321.348 3.548 20 0 DHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001599846543 988942825 /nfs/dbraw/zinc/94/28/25/988942825.db2.gz CERHIRUAIZPYJI-SECBINFHSA-N -1 0 306.264 3.581 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1nc(C)cs1 ZINC001597767918 989227252 /nfs/dbraw/zinc/22/72/52/989227252.db2.gz WUXOETJFTRYPAM-NSHDSACASA-N -1 0 308.403 3.546 20 0 DHADRM CCc1oc(CN[C@H](C)c2c(F)cccc2OC)cc1C(=O)[O-] ZINC001597799359 989380603 /nfs/dbraw/zinc/38/06/03/989380603.db2.gz PUVLSWWWTLIKNN-SNVBAGLBSA-N -1 0 321.348 3.539 20 0 DHADRM CCc1oc(CNc2cc(OC)ccc2Cl)cc1C(=O)[O-] ZINC001597804526 989407659 /nfs/dbraw/zinc/40/76/59/989407659.db2.gz GSIOWBMIRZMSOB-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM CCn1c(C(=O)Nc2ccsc2C(=O)[O-])cc2ccccc21 ZINC001597840125 989534634 /nfs/dbraw/zinc/53/46/34/989534634.db2.gz MBPCIAULJLMAHD-UHFFFAOYSA-N -1 0 314.366 3.673 20 0 DHADRM CCn1c(S[C@@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccccc1 ZINC001597862549 989643835 /nfs/dbraw/zinc/64/38/35/989643835.db2.gz VJFZJGBKLOVNGP-LBPRGKRZSA-N -1 0 319.430 3.556 20 0 DHADRM CCn1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c1C ZINC001597902595 989779788 /nfs/dbraw/zinc/77/97/88/989779788.db2.gz NZRUJDGQCHMEHH-UHFFFAOYSA-N -1 0 320.776 3.729 20 0 DHADRM CC(C)(C)SCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001590429813 989987252 /nfs/dbraw/zinc/98/72/52/989987252.db2.gz XQDNJNRCZRTJGF-AWEZNQCLSA-N -1 0 322.426 3.837 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001590434676 989992468 /nfs/dbraw/zinc/99/24/68/989992468.db2.gz FMMOYBJYDGNIEP-ARFHVFGLSA-N -1 0 323.477 3.989 20 0 DHADRM CC(C)(C)c1cc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)no1 ZINC001590464070 990039708 /nfs/dbraw/zinc/03/97/08/990039708.db2.gz VJKGDUNZAOFGIX-GFCCVEGCSA-N -1 0 314.385 3.551 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001590485450 990084163 /nfs/dbraw/zinc/08/41/63/990084163.db2.gz XIXXQMXRFKAWSH-UHFFFAOYSA-N -1 0 317.410 3.925 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CC(C)(C)CC(C)(C)C1 ZINC001598002854 990137783 /nfs/dbraw/zinc/13/77/83/990137783.db2.gz BUOVNPMISQDREB-KGLIPLIRSA-N -1 0 323.477 3.941 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CC(C)(C)CC(C)(C)C1 ZINC001598002853 990137968 /nfs/dbraw/zinc/13/79/68/990137968.db2.gz BUOVNPMISQDREB-KBPBESRZSA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)(C)c1nc(CSCc2ccc(C(=O)[O-])c(F)c2)no1 ZINC001590542508 990172644 /nfs/dbraw/zinc/17/26/44/990172644.db2.gz XUBUNOZKRVGANT-UHFFFAOYSA-N -1 0 324.377 3.638 20 0 DHADRM CC(C)(/C=C/Cl)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001590615168 990287542 /nfs/dbraw/zinc/28/75/42/990287542.db2.gz MCQVTEWHZIWGMH-AATRIKPKSA-N -1 0 321.764 3.519 20 0 DHADRM CC(C)(CC(=O)NCc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001590621226 990300925 /nfs/dbraw/zinc/30/09/25/990300925.db2.gz WGLQODCQBITYFP-UHFFFAOYSA-N -1 0 307.390 3.591 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001590626507 990315157 /nfs/dbraw/zinc/31/51/57/990315157.db2.gz WLYWMWWFHQHUCT-UHFFFAOYSA-N -1 0 311.447 3.766 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC001590628473 990318759 /nfs/dbraw/zinc/31/87/59/990318759.db2.gz ABVWEFYOUCHWDI-KBPBESRZSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC001590628478 990318937 /nfs/dbraw/zinc/31/89/37/990318937.db2.gz ABVWEFYOUCHWDI-ZIAGYGMSSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC001590648964 990335343 /nfs/dbraw/zinc/33/53/43/990335343.db2.gz NGBHWSMSCDYPBR-UHFFFAOYSA-N -1 0 322.254 3.546 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001590649243 990336952 /nfs/dbraw/zinc/33/69/52/990336952.db2.gz VEGDMTIAUSAALY-UHFFFAOYSA-N -1 0 322.254 3.546 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)NC(C)(C)CCC(=O)[O-])CC1 ZINC001590658129 990359258 /nfs/dbraw/zinc/35/92/58/990359258.db2.gz ZGIVADLXIUPOJT-UHFFFAOYSA-N -1 0 311.466 3.989 20 0 DHADRM CC(C)(CCN1CCc2c1cccc2C(F)(F)F)C(=O)[O-] ZINC001590670669 990374367 /nfs/dbraw/zinc/37/43/67/990374367.db2.gz FMRHLIZFOLMUDU-UHFFFAOYSA-N -1 0 301.308 3.569 20 0 DHADRM CC(C)(CCN1CCn2c(cc3ccc(Cl)cc32)C1)C(=O)[O-] ZINC001590671074 990379166 /nfs/dbraw/zinc/37/91/66/990379166.db2.gz MDNSBMFJYNBWNX-UHFFFAOYSA-N -1 0 320.820 3.611 20 0 DHADRM CN(C(=O)c1cc2ccccc2cc1F)c1ccccc1C(=O)[O-] ZINC001598081837 990397399 /nfs/dbraw/zinc/39/73/99/990397399.db2.gz CYJFNLJIROMRLL-UHFFFAOYSA-N -1 0 323.323 3.954 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598083343 990409604 /nfs/dbraw/zinc/40/96/04/990409604.db2.gz VGLYTSFQQUCOPC-WDEREUQCSA-N -1 0 309.431 3.733 20 0 DHADRM CN(C(=O)c1ccc(Cl)c2occc21)C1(C(=O)[O-])CCCC1 ZINC001598085992 990416748 /nfs/dbraw/zinc/41/67/48/990416748.db2.gz XJJYMFMKQSNIKW-UHFFFAOYSA-N -1 0 321.760 3.556 20 0 DHADRM CN(C(=O)c1ccccc1C(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598094064 990444739 /nfs/dbraw/zinc/44/47/39/990444739.db2.gz XYLHDTRSZLQVHG-CQSZACIVSA-N -1 0 319.307 3.522 20 0 DHADRM CN(C(=O)c1coc2ccc(Cl)cc21)C1(C(=O)[O-])CCCC1 ZINC001598103092 990467780 /nfs/dbraw/zinc/46/77/80/990467780.db2.gz IOKHPZMTIQOALG-UHFFFAOYSA-N -1 0 321.760 3.556 20 0 DHADRM CC(C)(CNC(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001590738327 990531553 /nfs/dbraw/zinc/53/15/53/990531553.db2.gz IXUUSJOWXJFYGM-UHFFFAOYSA-N -1 0 312.369 3.586 20 0 DHADRM CC(C)Oc1ccc(-c2cccc(C3(C(=O)[O-])CC(=O)C3)c2)cc1 ZINC000581954974 1015584371 /nfs/dbraw/zinc/58/43/71/1015584371.db2.gz RIOJPRRDIZETQD-UHFFFAOYSA-N -1 0 324.376 3.826 20 0 DHADRM CC(C)=CC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001590912867 990892224 /nfs/dbraw/zinc/89/22/24/990892224.db2.gz TXFVTALVZQKXSJ-GOSISDBHSA-N -1 0 323.392 3.952 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)NCCCCC2(C(=O)[O-])CCC2)C1(C)C ZINC001590914181 990895866 /nfs/dbraw/zinc/89/58/66/990895866.db2.gz AOXAPYCZRLHWFF-LSDHHAIUSA-N -1 0 321.461 3.766 20 0 DHADRM CC(C)=CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001590914239 990896890 /nfs/dbraw/zinc/89/68/90/990896890.db2.gz CPIQBSROMFBCIJ-UHFFFAOYSA-N -1 0 313.806 3.812 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001590915636 990905356 /nfs/dbraw/zinc/90/53/56/990905356.db2.gz ZJFNZHFTMMLYLH-ZIAGYGMSSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)=CCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001590920739 990907030 /nfs/dbraw/zinc/90/70/30/990907030.db2.gz FTPVLNXJGSONGD-UHFFFAOYSA-N -1 0 320.389 3.650 20 0 DHADRM CC(C)=CCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001590921650 990911885 /nfs/dbraw/zinc/91/18/85/990911885.db2.gz SXVFNCSCQKDARX-UHFFFAOYSA-N -1 0 322.430 3.731 20 0 DHADRM CC(C)[C@H](CNc1ncc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001590988408 991183090 /nfs/dbraw/zinc/18/30/90/991183090.db2.gz OJZZZDIJPXGQDN-AWEZNQCLSA-N -1 0 319.792 3.680 20 0 DHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001590993732 991214646 /nfs/dbraw/zinc/21/46/46/991214646.db2.gz QCIUYXGZNWKQOF-KRWDZBQOSA-N -1 0 312.365 3.805 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001590993733 991214776 /nfs/dbraw/zinc/21/47/76/991214776.db2.gz QCIUYXGZNWKQOF-QGZVFWFLSA-N -1 0 312.365 3.805 20 0 DHADRM COc1ccccc1N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599712305 991391962 /nfs/dbraw/zinc/39/19/62/991391962.db2.gz AIQNEVXNCUFMPU-UHFFFAOYSA-N -1 0 305.761 3.683 20 0 DHADRM CN(C)c1cccc(CSc2cc(Cl)ccc2C(=O)[O-])n1 ZINC001598340081 991394692 /nfs/dbraw/zinc/39/46/92/991394692.db2.gz DVHDFJFIEYRYNU-UHFFFAOYSA-N -1 0 322.817 3.792 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001591087037 991605336 /nfs/dbraw/zinc/60/53/36/991605336.db2.gz IBNDTWQZWJQPIP-ARFHVFGLSA-N -1 0 316.401 3.527 20 0 DHADRM CC(C)[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591089145 991631408 /nfs/dbraw/zinc/63/14/08/991631408.db2.gz STHTWEHZVYAYTM-HNNXBMFYSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001591092675 991647194 /nfs/dbraw/zinc/64/71/94/991647194.db2.gz BTGQFJSNQZJGEM-KRWDZBQOSA-N -1 0 323.392 3.714 20 0 DHADRM CC(C)C1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001591093120 991653138 /nfs/dbraw/zinc/65/31/38/991653138.db2.gz LCNYVLQGOIHJOB-UHFFFAOYSA-N -1 0 323.392 3.780 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001591094458 991674565 /nfs/dbraw/zinc/67/45/65/991674565.db2.gz LPOSAKJCUHPPDY-YCPHGPKFSA-N -1 0 315.413 3.664 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001591094887 991677204 /nfs/dbraw/zinc/67/72/04/991677204.db2.gz QBJNLAXNGIAVJG-HNNXBMFYSA-N -1 0 317.429 3.881 20 0 DHADRM CC(C)[C@H]1N(C(=O)NCCCCCCCC(=O)[O-])CC12CCC2 ZINC001591099519 991711208 /nfs/dbraw/zinc/71/12/08/991711208.db2.gz MJEPGISBPCNFOY-MRXNPFEDSA-N -1 0 324.465 3.632 20 0 DHADRM COc1nc2ccccc2cc1CNc1ccc(C(=O)[O-])cc1 ZINC001599731726 991718899 /nfs/dbraw/zinc/71/88/99/991718899.db2.gz IQLHFSQIVNXHAF-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001591131092 991824797 /nfs/dbraw/zinc/82/47/97/991824797.db2.gz PLNIQNSFMAECDR-LBPRGKRZSA-N -1 0 309.431 3.874 20 0 DHADRM COc1nsc(CN(C)c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC001599740801 991851340 /nfs/dbraw/zinc/85/13/40/991851340.db2.gz IQZVDBGRABNLAA-UHFFFAOYSA-N -1 0 320.414 3.610 20 0 DHADRM CC(C)CC(CC(C)C)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591143771 991871848 /nfs/dbraw/zinc/87/18/48/991871848.db2.gz VAILZFJMLDRZJX-UHFFFAOYSA-N -1 0 305.418 3.504 20 0 DHADRM CC(C)C[C@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC001591191207 992001135 /nfs/dbraw/zinc/00/11/35/992001135.db2.gz UAAUCXCGVWUYEJ-NSHDSACASA-N -1 0 322.455 3.771 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001591191218 992001710 /nfs/dbraw/zinc/00/17/10/992001710.db2.gz ULHHSASVJGNRBG-CYBMUJFWSA-N -1 0 321.760 3.544 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591207053 992037327 /nfs/dbraw/zinc/03/73/27/992037327.db2.gz CBAHCMUSGUWPSE-HNNXBMFYSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591227456 992099793 /nfs/dbraw/zinc/09/97/93/992099793.db2.gz JDAUEQXZJDOFOS-CDNLZTBQSA-N -1 0 319.401 3.808 20 0 DHADRM CC(C)CCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001591228683 992106188 /nfs/dbraw/zinc/10/61/88/992106188.db2.gz FYEYOTRJDIGHKT-UHFFFAOYSA-N -1 0 307.390 3.937 20 0 DHADRM CC(C)CCCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591236795 992119815 /nfs/dbraw/zinc/11/98/15/992119815.db2.gz PEFVARJKFQFIDP-UHFFFAOYSA-N -1 0 317.389 3.806 20 0 DHADRM COCCC1(c2noc(-c3ccc(Cl)cc3[O-])n2)CCCC1 ZINC000896626774 1015684764 /nfs/dbraw/zinc/68/47/64/1015684764.db2.gz DRLVKRVCCUPHSL-UHFFFAOYSA-N -1 0 322.792 3.944 20 0 DHADRM CC(C)CCOC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591251779 992149531 /nfs/dbraw/zinc/14/95/31/992149531.db2.gz PJWFPBYBVMHQPF-HNNXBMFYSA-N -1 0 319.401 3.577 20 0 DHADRM COCCC1(c2noc(-c3cc(Cl)ccc3[O-])n2)CCCC1 ZINC000896627648 1015687143 /nfs/dbraw/zinc/68/71/43/1015687143.db2.gz OXGAKSKILIAKDX-UHFFFAOYSA-N -1 0 322.792 3.944 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC001591266359 992179438 /nfs/dbraw/zinc/17/94/38/992179438.db2.gz CQZPHTLPISFHMU-CZUORRHYSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)CCc1ccc(NC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001591266799 992182266 /nfs/dbraw/zinc/18/22/66/992182266.db2.gz SOBNVFUJMUGJCW-UHFFFAOYSA-N -1 0 314.385 3.564 20 0 DHADRM CN(CCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1F ZINC001598498723 992399434 /nfs/dbraw/zinc/39/94/34/992399434.db2.gz KMEZMSLWMRULEV-UHFFFAOYSA-N -1 0 323.751 3.693 20 0 DHADRM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1cc(F)cc(F)c1 ZINC001598508420 992535047 /nfs/dbraw/zinc/53/50/47/992535047.db2.gz GUXXIRMYRDWTLN-UHFFFAOYSA-N -1 0 320.339 3.501 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)s1 ZINC001591477124 992596321 /nfs/dbraw/zinc/59/63/21/992596321.db2.gz IWJHDQMNCZRGMZ-AWEZNQCLSA-N -1 0 323.458 3.710 20 0 DHADRM CC(C)Cc1cc(Oc2ccc(C(=O)[O-])c(Cl)c2)ncn1 ZINC001591477653 992598966 /nfs/dbraw/zinc/59/89/66/992598966.db2.gz UINTWMYIKAVFLY-UHFFFAOYSA-N -1 0 306.749 3.819 20 0 DHADRM CC(C)Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC001591483740 992605026 /nfs/dbraw/zinc/60/50/26/992605026.db2.gz GDNJHZXTPFPELN-UHFFFAOYSA-N -1 0 317.410 3.826 20 0 DHADRM CC(C)Cc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cn1 ZINC001591484534 992611214 /nfs/dbraw/zinc/61/12/14/992611214.db2.gz ZQJANSLCJXDFNM-UHFFFAOYSA-N -1 0 312.413 3.909 20 0 DHADRM CC(C)Cc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001591489385 992620613 /nfs/dbraw/zinc/62/06/13/992620613.db2.gz QXJCOLYLBWZSFZ-UHFFFAOYSA-N -1 0 315.344 3.975 20 0 DHADRM CC(C)Cc1ccccc1CNC(=O)c1ccccc1C(=O)[O-] ZINC001591490947 992626147 /nfs/dbraw/zinc/62/61/47/992626147.db2.gz ONKVMLYKMQJCIO-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM CC(C)N(Cc1ccccc1F)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591603672 992836432 /nfs/dbraw/zinc/83/64/32/992836432.db2.gz MHPGUXMWETUKKN-NSHDSACASA-N -1 0 322.405 3.952 20 0 DHADRM CCc1cc2c(CNc3ccc(F)cc3)cc(=O)oc2cc1O ZINC000007382902 1015763806 /nfs/dbraw/zinc/76/38/06/1015763806.db2.gz RENMTZMCMXYPCS-UHFFFAOYSA-N -1 0 313.328 3.812 20 0 DHADRM Cc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000522622304 1015784768 /nfs/dbraw/zinc/78/47/68/1015784768.db2.gz HJCQRVGFGYKENO-IBGZPJMESA-N -1 0 317.429 3.673 20 0 DHADRM COc1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599599236 993791013 /nfs/dbraw/zinc/79/10/13/993791013.db2.gz NCUXJVVPJJUDIU-SECBINFHSA-N -1 0 307.371 3.637 20 0 DHADRM Cc1ccc(-c2nc(C[NH2+]CC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000277117523 1015877426 /nfs/dbraw/zinc/87/74/26/1015877426.db2.gz ASGAGNSSEXHVQX-UHFFFAOYSA-N -1 0 318.442 3.709 20 0 DHADRM C[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1ccccn1 ZINC001593292536 994678422 /nfs/dbraw/zinc/67/84/22/994678422.db2.gz NEEAQVSWGGAPFL-ZDUSSCGKSA-N -1 0 322.364 3.891 20 0 DHADRM C[C@@H](NCc1ccc(C2CC2)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593295192 994689574 /nfs/dbraw/zinc/68/95/74/994689574.db2.gz BEEDAIPRZWAJGD-SECBINFHSA-N -1 0 320.389 3.709 20 0 DHADRM C[C@@H](NCc1ccc2ccccc2c1)c1ncc(C(=O)[O-])s1 ZINC001593304131 994743268 /nfs/dbraw/zinc/74/32/68/994743268.db2.gz ISKCAZOPXLMANS-LLVKDONJSA-N -1 0 312.394 3.845 20 0 DHADRM C[C@H](NCc1ccccc1CC(=O)[O-])c1c(F)cccc1Cl ZINC001593305281 994760775 /nfs/dbraw/zinc/76/07/75/994760775.db2.gz VZPOHYQLGHGMGR-NSHDSACASA-N -1 0 321.779 3.957 20 0 DHADRM C[C@@H](NCc1nc(C(C)(C)C)cs1)c1cc(C(=O)[O-])co1 ZINC001593311835 994788625 /nfs/dbraw/zinc/78/86/25/994788625.db2.gz JZFVHDQXGGDVSE-SECBINFHSA-N -1 0 308.403 3.583 20 0 DHADRM C[C@H](NCc1nc(C(C)(C)C)co1)c1cc(C(=O)[O-])cs1 ZINC001593311906 994790165 /nfs/dbraw/zinc/79/01/65/994790165.db2.gz MJJQSIBOUVVLCO-VIFPVBQESA-N -1 0 308.403 3.583 20 0 DHADRM C[C@@H](NCc1occc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593320670 994858673 /nfs/dbraw/zinc/85/86/73/994858673.db2.gz ZCZIZQVPGIEGPD-SECBINFHSA-N -1 0 308.403 3.583 20 0 DHADRM COc1cccc(CNc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC001599675761 994894979 /nfs/dbraw/zinc/89/49/79/994894979.db2.gz WPEUKYJTQPMQCD-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM C[C@H](Nc1ccc2nc(C(F)F)sc2c1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365617 995041592 /nfs/dbraw/zinc/04/15/92/995041592.db2.gz CUBDOLIRPCWCFU-NBEYISGCSA-N -1 0 312.341 3.755 20 0 DHADRM C[C@H](Nc1ccc2nc(C(F)F)sc2c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365619 995041777 /nfs/dbraw/zinc/04/17/77/995041777.db2.gz CUBDOLIRPCWCFU-ZQARSLAVSA-N -1 0 312.341 3.755 20 0 DHADRM C[C@H](Nc1cccc2cc(C(=O)[O-])sc21)C(=O)OC(C)(C)C ZINC001593366940 995055931 /nfs/dbraw/zinc/05/59/31/995055931.db2.gz ITEFZJOBAYSZQH-VIFPVBQESA-N -1 0 321.398 3.742 20 0 DHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(F)cc1 ZINC001593499074 995488886 /nfs/dbraw/zinc/48/88/86/995488886.db2.gz HSXCACVXWZXCLB-RGZNSWCXSA-N -1 0 320.360 3.855 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1csc(C2CC2)n1 ZINC001593503157 995512855 /nfs/dbraw/zinc/51/28/55/995512855.db2.gz SVVSUIBPGMMJKK-DLOVCJGASA-N -1 0 323.414 3.516 20 0 DHADRM C[C@H](OC(=O)/C=C/C1CCCCCC1)c1nc(C(=O)[O-])co1 ZINC001593515530 995539682 /nfs/dbraw/zinc/53/96/82/995539682.db2.gz NMLXLSVETAADCB-FBOQAHMBSA-N -1 0 307.346 3.504 20 0 DHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cccc(Cl)c1F ZINC001593517148 995552144 /nfs/dbraw/zinc/55/21/44/995552144.db2.gz VHNZSFQAXQQKNC-SECBINFHSA-N -1 0 316.756 3.974 20 0 DHADRM C[C@H](OC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001593525237 995563322 /nfs/dbraw/zinc/56/33/22/995563322.db2.gz KMBVIKATXRXIMA-ZDUSSCGKSA-N -1 0 324.376 3.597 20 0 DHADRM C[C@H](OC(=O)CCCc1ccsc1)c1cc(C(=O)[O-])co1 ZINC001593526698 995569361 /nfs/dbraw/zinc/56/93/61/995569361.db2.gz ZMNIAJWCRBPEBE-JTQLQIEISA-N -1 0 308.355 3.666 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1c(F)cccc1Cl ZINC001593574415 995678753 /nfs/dbraw/zinc/67/87/53/995678753.db2.gz IIHHIPICAZHNPA-SSDOTTSWSA-N -1 0 312.680 3.688 20 0 DHADRM C[C@@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cc(F)cc(F)c1 ZINC001593579359 995694378 /nfs/dbraw/zinc/69/43/78/995694378.db2.gz YDPIOPCKDKQPMF-AZVKUDOFSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001593584538 995698090 /nfs/dbraw/zinc/69/80/90/995698090.db2.gz BOXOAWYLIGXHER-GFCCVEGCSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@H](OC(=O)c1ccsc1C(F)F)c1cc(C(=O)[O-])co1 ZINC001593597551 995739643 /nfs/dbraw/zinc/73/96/43/995739643.db2.gz KZFUENUPOXYRJZ-LURJTMIESA-N -1 0 316.281 3.895 20 0 DHADRM C[C@@H](OC(=O)c1ccsc1Cl)c1cc(C(=O)[O-])co1 ZINC001593598255 995744463 /nfs/dbraw/zinc/74/44/63/995744463.db2.gz YJBNANBYBNRGRI-ZCFIWIBFSA-N -1 0 300.719 3.611 20 0 DHADRM C[C@H](Oc1ccccc1)c1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1 ZINC001593641488 995952148 /nfs/dbraw/zinc/95/21/48/995952148.db2.gz NCSPOGMMUMAXIH-AVGNSLFASA-N -1 0 316.357 3.568 20 0 DHADRM C[C@@H](S[C@H]1CCc2ccccc2C1)c1nc(C(=O)[O-])co1 ZINC001593658434 996031907 /nfs/dbraw/zinc/03/19/07/996031907.db2.gz FWAMLLHHRDIRCR-MFKMUULPSA-N -1 0 303.383 3.725 20 0 DHADRM C[C@@H](S[C@H]1CCOc2ccccc21)c1nc(C(=O)[O-])co1 ZINC001593658747 996033667 /nfs/dbraw/zinc/03/36/67/996033667.db2.gz LVFDBTZGGYIISV-RNCFNFMXSA-N -1 0 305.355 3.691 20 0 DHADRM C[C@@H](Sc1nc(C(=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC001593679248 996098657 /nfs/dbraw/zinc/09/86/57/996098657.db2.gz HENQOFUSTFSTES-ZCFIWIBFSA-N -1 0 301.339 3.973 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)N(CCC(F)(F)F)CC1CC1 ZINC001593732287 996310581 /nfs/dbraw/zinc/31/05/81/996310581.db2.gz RFNDWZUQEAMOCA-MRVPVSSYSA-N -1 0 322.352 3.567 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001593732770 996315080 /nfs/dbraw/zinc/31/50/80/996315080.db2.gz YXGCCMNWMDGAOA-YPMHNXCESA-N -1 0 308.447 3.805 20 0 DHADRM COc1cccc(-c2ccc(C(=O)[O-])cc2OC(C)C)c1OC ZINC000657204712 1016031010 /nfs/dbraw/zinc/03/10/10/1016031010.db2.gz PDLAKGCMWWHXDA-UHFFFAOYSA-N -1 0 316.353 3.856 20 0 DHADRM O=C([O-])CCCc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000657203377 1016031055 /nfs/dbraw/zinc/03/10/55/1016031055.db2.gz SGNBYPZHASEHRI-UHFFFAOYSA-N -1 0 304.293 3.564 20 0 DHADRM CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC(F)(F)C1 ZINC001593760402 996418789 /nfs/dbraw/zinc/41/87/89/996418789.db2.gz VFUBWSADSQOFTD-UHFFFAOYSA-N -1 0 321.682 3.551 20 0 DHADRM CCCn1nc(C)c(-c2ccc(CCC(=O)[O-])c(F)c2)c1C ZINC000657205616 1016034955 /nfs/dbraw/zinc/03/49/55/1016034955.db2.gz YPUWYKGKLKWQGN-UHFFFAOYSA-N -1 0 304.365 3.733 20 0 DHADRM C[C@@H](CC(=O)[O-])c1ccc(-c2cc(C(F)(F)F)nn2C)cc1 ZINC000657205849 1016035830 /nfs/dbraw/zinc/03/58/30/1016035830.db2.gz MRLFEQLFFCAORL-VIFPVBQESA-N -1 0 312.291 3.684 20 0 DHADRM COC[C@@H](C)Oc1cccc(-c2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000657205383 1016039134 /nfs/dbraw/zinc/03/91/34/1016039134.db2.gz VENQXGZRYMVWFN-GFCCVEGCSA-N -1 0 318.344 3.534 20 0 DHADRM CO[C@H](C(=O)[O-])c1ccccc1-c1cnc(SC)cc1C ZINC000657205723 1016043034 /nfs/dbraw/zinc/04/30/34/1016043034.db2.gz AITMLPGQPYRMQI-HNNXBMFYSA-N -1 0 303.383 3.551 20 0 DHADRM CCCCOc1ccccc1-c1cc(C(=O)[O-])ccc1CO ZINC000657208006 1016043723 /nfs/dbraw/zinc/04/37/23/1016043723.db2.gz NXXSNSKFWOHGAY-UHFFFAOYSA-N -1 0 300.354 3.723 20 0 DHADRM Cc1ccc(OCCC(=O)[O-])c(-c2cncc(C(F)F)c2)c1 ZINC000657206224 1016044680 /nfs/dbraw/zinc/04/46/80/1016044680.db2.gz CCULMICPAOQMLS-UHFFFAOYSA-N -1 0 307.296 3.848 20 0 DHADRM CC1(C)C2CCC1(C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])CC2 ZINC001593841500 996599180 /nfs/dbraw/zinc/59/91/80/996599180.db2.gz BCAHHZOLQAEODO-XVTSOASTSA-N -1 0 321.461 3.600 20 0 DHADRM CC1(C)CC(C(=O)N[C@@H](C(=O)[O-])c2cccs2)CC(C)(C)C1 ZINC001593847351 996613788 /nfs/dbraw/zinc/61/37/88/996613788.db2.gz KXNQJJCASCZOER-CYBMUJFWSA-N -1 0 323.458 3.843 20 0 DHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001593863777 996664480 /nfs/dbraw/zinc/66/44/80/996664480.db2.gz MVNKCAYBZKZRRT-KRWDZBQOSA-N -1 0 323.392 3.793 20 0 DHADRM CC1(C)C[C@@H](n2nc(C(=O)[O-])cc2-c2ccc(F)cc2)CCO1 ZINC001593864587 996667399 /nfs/dbraw/zinc/66/73/99/996667399.db2.gz ZCHZRFCIGVEXGY-ZDUSSCGKSA-N -1 0 318.348 3.518 20 0 DHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001593874676 996691720 /nfs/dbraw/zinc/69/17/20/996691720.db2.gz PBHBTOKHTUPMCB-SNVBAGLBSA-N -1 0 300.358 3.631 20 0 DHADRM CC1(C)CCC[C@@](NC(=O)CCCC2CCCC2)(C(=O)[O-])C1 ZINC001593890374 996733132 /nfs/dbraw/zinc/73/31/32/996733132.db2.gz AGHIRBXFKNWLPA-SFHVURJKSA-N -1 0 309.450 3.887 20 0 DHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593903642 996775717 /nfs/dbraw/zinc/77/57/17/996775717.db2.gz WXGIAVGDARGUNT-ZNMIVQPWSA-N -1 0 316.401 3.575 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593904280 996780684 /nfs/dbraw/zinc/78/06/84/996780684.db2.gz AHNKTIOHOAUKKW-CQSZACIVSA-N -1 0 309.450 3.744 20 0 DHADRM 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CC(C)(C(=O)[N-]OC/C=C/Cl)c1ccc2ccccc2c1 ZINC000812398414 1027260714 /nfs/dbraw/zinc/26/07/14/1027260714.db2.gz QEMGTAVGDBFWEF-BJMVGYQFSA-N -1 0 303.789 3.918 20 0 DHADRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]OC/C=C/Cl ZINC000812404988 1027264113 /nfs/dbraw/zinc/26/41/13/1027264113.db2.gz NSHHHAADSZRCDF-SGJFDWMWSA-N -1 0 324.591 3.561 20 0 DHADRM Cc1cc(-c2cccc(C(=O)[O-])c2F)ccc1O[C@H]1CCOC1 ZINC000573138353 1027266360 /nfs/dbraw/zinc/26/63/60/1027266360.db2.gz IXMTYTXCJYQXHQ-ZDUSSCGKSA-N -1 0 316.328 3.667 20 0 DHADRM Cc1cc(O[C@@H](C)C(=O)[N-]OC/C=C\Cl)ccc1C(C)C ZINC000812407084 1027283147 /nfs/dbraw/zinc/28/31/47/1027283147.db2.gz VKCHTPDYZFHOSP-UJZCVKTISA-N -1 0 311.809 3.686 20 0 DHADRM O=C([N-]OC/C=C\Cl)C(c1ccccc1)c1ccccc1 ZINC000812408989 1027285333 /nfs/dbraw/zinc/28/53/33/1027285333.db2.gz VNJIGOYBZVJARX-GHXNOFRVSA-N -1 0 301.773 3.619 20 0 DHADRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]OC/C=C/Cl ZINC000812409691 1027286123 /nfs/dbraw/zinc/28/61/23/1027286123.db2.gz 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C[C@@H](O[N-]C(=O)[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1 ZINC000365601212 1027980842 /nfs/dbraw/zinc/98/08/42/1027980842.db2.gz JQJWYQFVLWHASC-FHLIZLRMSA-N -1 0 311.381 3.716 20 0 DHADRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc2ccccc2c1 ZINC000048427055 1028070291 /nfs/dbraw/zinc/07/02/91/1028070291.db2.gz DPOZLBJWGOKVTQ-UHFFFAOYSA-N -1 0 317.391 3.595 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000578436978 1028149964 /nfs/dbraw/zinc/14/99/64/1028149964.db2.gz HIWPVTGCFNIBDC-BLVKFPJESA-N -1 0 323.241 3.741 20 0 DHADRM Oc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1F ZINC000779070150 1028150309 /nfs/dbraw/zinc/15/03/09/1028150309.db2.gz DFTFNFSIWYVOLT-LJQANCHMSA-N -1 0 308.356 3.806 20 0 DHADRM Cc1cc(-c2ccccc2C(=O)[O-])cc(C)c1N1CCCC1=O ZINC000578655121 1028206164 /nfs/dbraw/zinc/20/61/64/1028206164.db2.gz SQGIRLUMNRESTC-UHFFFAOYSA-N -1 0 309.365 3.795 20 0 DHADRM O=C([O-])c1cccc(-c2cccc(C(=O)Nc3cccnc3)c2)c1 ZINC000578752957 1028233049 /nfs/dbraw/zinc/23/30/49/1028233049.db2.gz 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C[C@H](Cc1ccc(NCc2cnc(Cl)c(F)c2)cc1)C(=O)[O-] ZINC000864512289 1034370174 /nfs/dbraw/zinc/37/01/74/1034370174.db2.gz DYILZDRMOMBRLW-SNVBAGLBSA-N -1 0 322.767 3.749 20 0 DHADRM O=C([O-])CCc1cc(F)ccc1-c1ccc(C2(O)CCC2)cc1 ZINC000864613021 1034398035 /nfs/dbraw/zinc/39/80/35/1034398035.db2.gz YVHOYWBXBYCIJV-UHFFFAOYSA-N -1 0 314.356 3.881 20 0 DHADRM COc1ccc(Cl)c(Nc2cccc(/C=C/C(=O)[O-])c2)n1 ZINC001174495644 1034413144 /nfs/dbraw/zinc/41/31/44/1034413144.db2.gz SPPQAOJGSXVQJB-VMPITWQZSA-N -1 0 304.733 3.585 20 0 DHADRM Nc1cc(Cl)cc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497486 1034415567 /nfs/dbraw/zinc/41/55/67/1034415567.db2.gz UYJUFQHMLVXDCF-SNAWJCMRSA-N -1 0 306.724 3.903 20 0 DHADRM Cc1cc(C(=O)N(C)C)ccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174499183 1034417746 /nfs/dbraw/zinc/41/77/46/1034417746.db2.gz CBFUINRYTOBYKE-JXMROGBWSA-N -1 0 324.380 3.538 20 0 DHADRM COc1ccc(F)c(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174500432 1034459923 /nfs/dbraw/zinc/45/99/23/1034459923.db2.gz 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ZINC000899852440 1034921886 /nfs/dbraw/zinc/92/18/86/1034921886.db2.gz HBYRITKSQRFZCT-UHFFFAOYSA-N -1 0 319.392 3.599 20 0 DHADRM O=C([O-])c1ccc(Nc2c(F)c(F)nc(F)c2F)cc1Cl ZINC001175313478 1034928727 /nfs/dbraw/zinc/92/87/27/1034928727.db2.gz FFHLLHIESQFBQM-UHFFFAOYSA-N -1 0 320.629 3.733 20 0 DHADRM O=C([O-])c1ccc(Nc2cnc(C(F)(F)F)nc2)cc1Cl ZINC001175315244 1034929486 /nfs/dbraw/zinc/92/94/86/1034929486.db2.gz BDHOHINKJIGVHL-UHFFFAOYSA-N -1 0 317.654 3.591 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(-n3ccnc3)cc2)cc1Cl ZINC001175316723 1034930466 /nfs/dbraw/zinc/93/04/66/1034930466.db2.gz RFJDYQSRVGESHO-UHFFFAOYSA-N -1 0 313.744 3.968 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnc(OC(F)F)c2)cc1Cl ZINC001175316699 1034931315 /nfs/dbraw/zinc/93/13/15/1034931315.db2.gz YGQQEZSCAWEXJH-UHFFFAOYSA-N -1 0 314.675 3.778 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(F)cc(F)c2CO)cc1Cl ZINC001175321083 1034932196 /nfs/dbraw/zinc/93/21/96/1034932196.db2.gz QADXNOKVVUAMOI-UHFFFAOYSA-N -1 0 313.687 3.552 20 0 DHADRM Nc1ccc2nn(-c3ccc(C(=O)[O-])c(Cl)c3)cc2c1Cl ZINC001175319775 1034932263 /nfs/dbraw/zinc/93/22/63/1034932263.db2.gz FKRNIXHTRFDSJP-UHFFFAOYSA-N -1 0 322.151 3.613 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc(-c3nnco3)c2)cc1Cl ZINC001175319345 1034932272 /nfs/dbraw/zinc/93/22/72/1034932272.db2.gz TWVVRBOGOGINMZ-UHFFFAOYSA-N -1 0 315.716 3.832 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc3c2CCC(=O)N3)cc1Cl ZINC001175321027 1034932418 /nfs/dbraw/zinc/93/24/18/1034932418.db2.gz OGANJNULJJGPNN-UHFFFAOYSA-N -1 0 316.744 3.667 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(Cl)c(CO)c2)cc1Cl ZINC001175321771 1034933607 /nfs/dbraw/zinc/93/36/07/1034933607.db2.gz NWBFPPVIGAMZBM-UHFFFAOYSA-N -1 0 312.152 3.928 20 0 DHADRM Cc1cn(-c2ccc(C(=O)[O-])c(Cl)c2)c2cccc(N)c12 ZINC001175322526 1034934379 /nfs/dbraw/zinc/93/43/79/1034934379.db2.gz YCCCHRBCWJSLEO-UHFFFAOYSA-N -1 0 300.745 3.873 20 0 DHADRM COc1ccc(-c2cc(Nc3cccc(C(=O)[O-])c3)n(C)n2)cc1 ZINC001175328751 1034936091 /nfs/dbraw/zinc/93/60/91/1034936091.db2.gz 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ZINC000262012489 331787207 /nfs/dbraw/zinc/78/72/07/331787207.db2.gz WNTTUMDGWGKFBP-UHFFFAOYSA-N -1 0 300.358 3.605 20 0 DHADRM C[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(Cl)cn1 ZINC000557683056 331808295 /nfs/dbraw/zinc/80/82/95/331808295.db2.gz YDYAGGRIHOPGJM-SNVBAGLBSA-N -1 0 316.817 3.849 20 0 DHADRM CC(C)C[C@H]1C[C@@H](N=c2nc(-c3ccccc3)[n-]s2)CCO1 ZINC000558023190 331836302 /nfs/dbraw/zinc/83/63/02/331836302.db2.gz HZRBJHPUOBZQBM-GJZGRUSLSA-N -1 0 317.458 3.633 20 0 DHADRM Cc1cc(-c2cccc(C)c2C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000584183396 331859527 /nfs/dbraw/zinc/85/95/27/331859527.db2.gz HLDKWEIYJSDLBX-HNNXBMFYSA-N -1 0 312.365 3.836 20 0 DHADRM Cc1sc(/C=C/c2cc3c(c(Cl)c2)OCO3)nc1C(=O)[O-] ZINC000558451968 331908512 /nfs/dbraw/zinc/90/85/12/331908512.db2.gz VVSUWMSWIIIRNV-NSCUHMNNSA-N -1 0 323.757 3.702 20 0 DHADRM CC(C)c1ccc(NC(=O)CSCC(=O)[O-])c(C(C)C)c1 ZINC000128079430 332009735 /nfs/dbraw/zinc/00/97/35/332009735.db2.gz BICDSHQOWGCNBD-UHFFFAOYSA-N -1 0 309.431 3.690 20 0 DHADRM CC(C)(C)SCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000131117774 332028315 /nfs/dbraw/zinc/02/83/15/332028315.db2.gz RRGDGOVRXDCPNX-UHFFFAOYSA-N -1 0 309.431 3.519 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1cccc(SCC)c1)C(=O)[O-] ZINC000518506760 332070245 /nfs/dbraw/zinc/07/02/45/332070245.db2.gz QTATYDZRBXCVLU-CYBMUJFWSA-N -1 0 310.419 3.564 20 0 DHADRM C[C@@H]1CC2(CCC2)CN1C(=O)c1cccc(Br)c1[O-] ZINC000572939546 332095660 /nfs/dbraw/zinc/09/56/60/332095660.db2.gz ONQLVNMODAYDPE-SNVBAGLBSA-N -1 0 324.218 3.559 20 0 DHADRM Cc1cscc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000518709526 332132843 /nfs/dbraw/zinc/13/28/43/332132843.db2.gz BOOJUFUZCGCZGM-CQSZACIVSA-N -1 0 318.398 3.621 20 0 DHADRM Cc1cccc(C2=CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000092695569 332138943 /nfs/dbraw/zinc/13/89/43/332138943.db2.gz ATVCCDQLEMTTCN-UHFFFAOYSA-N -1 0 311.356 3.769 20 0 DHADRM Cc1cccc2cc(C(=O)Nc3cc(C(=O)[O-])cs3)oc21 ZINC000559382386 332141650 /nfs/dbraw/zinc/14/16/50/332141650.db2.gz HBLBRLFZKUAMGY-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM O=C([O-])[C@H](NCc1cccc(-c2cccnc2)c1)c1ccsc1 ZINC000426783481 332152959 /nfs/dbraw/zinc/15/29/59/332152959.db2.gz LOUSMUKJWQTXPF-QGZVFWFLSA-N -1 0 324.405 3.726 20 0 DHADRM O=C([O-])[C@H](NCc1cc2cc(F)ccc2o1)c1cccc(F)c1 ZINC000426829963 332156018 /nfs/dbraw/zinc/15/60/18/332156018.db2.gz UBLGHDNGDAEQFV-MRXNPFEDSA-N -1 0 317.291 3.627 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2cc(F)ccc2o1)c1cccc(F)c1 ZINC000426829962 332156085 /nfs/dbraw/zinc/15/60/85/332156085.db2.gz UBLGHDNGDAEQFV-INIZCTEOSA-N -1 0 317.291 3.627 20 0 DHADRM CC(C)(C)C[C@@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426824706 332158026 /nfs/dbraw/zinc/15/80/26/332158026.db2.gz NRXBUBRMPYVVCV-CYBMUJFWSA-N -1 0 318.442 3.789 20 0 DHADRM FC(F)(F)[C@H]1CCCC[C@H]1CN=c1nc(C2CC2)[n-]s1 ZINC000426898804 332160675 /nfs/dbraw/zinc/16/06/75/332160675.db2.gz XAONJSHIGIPFQA-UWVGGRQHSA-N -1 0 305.369 3.618 20 0 DHADRM CCc1nc(=N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)s[n-]1 ZINC000426905935 332161251 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ZINC000357551979 336590009 /nfs/dbraw/zinc/59/00/09/336590009.db2.gz XYAIXHYSXCIHNG-UHFFFAOYSA-N -1 0 303.355 3.795 20 0 DHADRM O=C([O-])c1cc(NCc2cc3ccc(F)cc3[nH]2)ccc1F ZINC000362347873 336793308 /nfs/dbraw/zinc/79/33/08/336793308.db2.gz AVDOPXAJLDCICN-UHFFFAOYSA-N -1 0 302.280 3.756 20 0 DHADRM Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(F)c(C(=O)[O-])c1 ZINC000362347144 336793364 /nfs/dbraw/zinc/79/33/64/336793364.db2.gz RJHUFANCFAQDIY-UHFFFAOYSA-N -1 0 319.380 3.704 20 0 DHADRM CCC[C@@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000362523085 336802079 /nfs/dbraw/zinc/80/20/79/336802079.db2.gz DMXRMAGRBLZTAW-GFCCVEGCSA-N -1 0 311.809 3.580 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)c2cccs2)cc(C(=O)[O-])c1C ZINC000362623608 336806850 /nfs/dbraw/zinc/80/68/50/336806850.db2.gz PKZCFRRCUFRKIS-NSHDSACASA-N -1 0 303.383 3.805 20 0 DHADRM Cc1oc(CN(C)C(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000362750966 336810785 /nfs/dbraw/zinc/81/07/85/336810785.db2.gz AKRSUWVUQCZBKL-UHFFFAOYSA-N -1 0 323.348 3.712 20 0 DHADRM CCC(CC)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000362815499 336812374 /nfs/dbraw/zinc/81/23/74/336812374.db2.gz VTRZPKPMKWBZNW-UHFFFAOYSA-N -1 0 311.428 3.713 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC=C(c2ccccc2)C1 ZINC000367653753 336827431 /nfs/dbraw/zinc/82/74/31/336827431.db2.gz QQEPMDKUOSLWGA-UHFFFAOYSA-N -1 0 315.319 3.600 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccsc2)c(Cl)cc1F ZINC000121677811 336970317 /nfs/dbraw/zinc/97/03/17/336970317.db2.gz PRLMVCAOVDNKTE-UHFFFAOYSA-N -1 0 305.783 3.650 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000378472634 337073656 /nfs/dbraw/zinc/07/36/56/337073656.db2.gz GYJFOKYMDLDBCT-HNNXBMFYSA-N -1 0 309.450 3.696 20 0 DHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000194212789 337082812 /nfs/dbraw/zinc/08/28/12/337082812.db2.gz GBVAATILLSGTQT-UHFFFAOYSA-N -1 0 319.426 3.928 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000393204768 337091768 /nfs/dbraw/zinc/09/17/68/337091768.db2.gz GLNUXCJGCNAFCI-SECBINFHSA-N -1 0 310.806 3.688 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@H]1C(=O)[O-] ZINC000582546774 337103345 /nfs/dbraw/zinc/10/33/45/337103345.db2.gz LCUHRFYOIUPZOI-BLLLJJGKSA-N -1 0 316.401 3.529 20 0 DHADRM O=C([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000183911181 337195468 /nfs/dbraw/zinc/19/54/68/337195468.db2.gz GVMRNYWAYKEDMP-CQSZACIVSA-N -1 0 317.410 3.662 20 0 DHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000184756258 337200881 /nfs/dbraw/zinc/20/08/81/337200881.db2.gz UPFPPYCSESZJPG-ABAIWWIYSA-N -1 0 316.788 3.664 20 0 DHADRM Cc1cc(C(=O)NCCCCC(=O)[O-])sc1-c1ccccc1 ZINC000583033710 337231779 /nfs/dbraw/zinc/23/17/79/337231779.db2.gz GLHMAJVBCUVZLB-UHFFFAOYSA-N -1 0 317.410 3.708 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000583065623 337235028 /nfs/dbraw/zinc/23/50/28/337235028.db2.gz OUGMECMIYSNLMN-AWEZNQCLSA-N -1 0 324.380 3.570 20 0 DHADRM C/C=C\c1ccc(NS(=O)(=O)c2cccc(COC)c2)cc1 ZINC000583105512 337238065 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CCCC[C@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000321538384 337275191 /nfs/dbraw/zinc/27/51/91/337275191.db2.gz NTNISWBDVRFPFA-ZQVVLCSBSA-N -1 0 321.461 3.743 20 0 DHADRM CC1(C)Cc2cccc(CNc3ccc(F)c(C(=O)[O-])c3)c2O1 ZINC000321580005 337278265 /nfs/dbraw/zinc/27/82/65/337278265.db2.gz IPIXUROLAXYGSQ-UHFFFAOYSA-N -1 0 315.344 3.850 20 0 DHADRM O=C([O-])Cc1ccccc1C[NH2+]Cc1cccc2ccccc21 ZINC000321600992 337278448 /nfs/dbraw/zinc/27/84/48/337278448.db2.gz QZOABKMTBSSEJJ-UHFFFAOYSA-N -1 0 305.377 3.757 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000321768161 337289845 /nfs/dbraw/zinc/28/98/45/337289845.db2.gz PAWCTRMAJWCZQU-BZUAXINKSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000013094651 337300117 /nfs/dbraw/zinc/30/01/17/337300117.db2.gz ODAOMPKRHURNHD-UHFFFAOYSA-N -1 0 315.394 3.968 20 0 DHADRM CCCCCc1ccc(NC(=O)N(CCC)CC(=O)[O-])cc1 ZINC000584567931 337364562 /nfs/dbraw/zinc/36/45/62/337364562.db2.gz 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337469094 /nfs/dbraw/zinc/46/90/94/337469094.db2.gz VWZXZIORYBXXQR-KRWDZBQOSA-N -1 0 317.429 3.988 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000237687630 337469288 /nfs/dbraw/zinc/46/92/88/337469288.db2.gz OIJQDSOKNQZCSA-UHFFFAOYSA-N -1 0 307.733 3.511 20 0 DHADRM Cc1cc(NC(=O)CCn2ccc3ccccc32)ccc1C(=O)[O-] ZINC000237801603 337469433 /nfs/dbraw/zinc/46/94/33/337469433.db2.gz IXNWOLUNZQARMX-UHFFFAOYSA-N -1 0 322.364 3.677 20 0 DHADRM CC(C)Oc1ccc(Cl)c(-c2nc(=O)c3sccc3[n-]2)n1 ZINC000065278986 337474841 /nfs/dbraw/zinc/47/48/41/337474841.db2.gz NAWLKVHCGAZVEA-UHFFFAOYSA-N -1 0 321.789 3.900 20 0 DHADRM O=C([O-])CC1(CNC(=O)CCCc2ccccc2)CCCCC1 ZINC000320420607 337598466 /nfs/dbraw/zinc/59/84/66/337598466.db2.gz SOJIOZMJWUGEGG-UHFFFAOYSA-N -1 0 317.429 3.551 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262091732 337615027 /nfs/dbraw/zinc/61/50/27/337615027.db2.gz CQGINIBBJYBUER-SFHVURJKSA-N -1 0 323.392 3.599 20 0 DHADRM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(Cl)c1 ZINC000262104296 337615041 /nfs/dbraw/zinc/61/50/41/337615041.db2.gz CYPKVYIZESRCPD-SWLSCSKDSA-N -1 0 323.820 3.689 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262134511 337615335 /nfs/dbraw/zinc/61/53/35/337615335.db2.gz HVYGKEXSGKTRHH-GFCCVEGCSA-N -1 0 317.410 3.599 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c(F)c1 ZINC000262400626 337617307 /nfs/dbraw/zinc/61/73/07/337617307.db2.gz OCTDXOJRIQPFSI-CYBMUJFWSA-N -1 0 319.357 3.563 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000262419885 337617468 /nfs/dbraw/zinc/61/74/68/337617468.db2.gz AQCHIOHEULBNMZ-UHFFFAOYSA-N -1 0 318.398 3.581 20 0 DHADRM CC(C)c1ccc(CCCNC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262570819 337619480 /nfs/dbraw/zinc/61/94/80/337619480.db2.gz ZAEYMYHUSWPJBD-UHFFFAOYSA-N -1 0 317.429 3.504 20 0 DHADRM CCCCc1ccc(N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262732942 337620937 /nfs/dbraw/zinc/62/09/37/337620937.db2.gz 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CCc1ccc([C@H](C)CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000537400701 337935422 /nfs/dbraw/zinc/93/54/22/337935422.db2.gz GQUHHSKQLNXYPQ-RHSMWYFYSA-N -1 0 319.445 3.606 20 0 DHADRM CCSc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000537402131 337935517 /nfs/dbraw/zinc/93/55/17/337935517.db2.gz DBOOFKCPFIQSJK-UHFFFAOYSA-N -1 0 301.367 3.749 20 0 DHADRM CSc1ccc(C)c(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000537547540 337941957 /nfs/dbraw/zinc/94/19/57/337941957.db2.gz HSMVGKMDOPODRM-UHFFFAOYSA-N -1 0 315.394 3.877 20 0 DHADRM Cc1cc(-c2ccc(CC(=O)[O-])cc2)nc2cc3c(cc12)OCO3 ZINC000515570945 337993169 /nfs/dbraw/zinc/99/31/69/337993169.db2.gz RLHDHYULFZSHHY-UHFFFAOYSA-N -1 0 321.332 3.566 20 0 DHADRM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516086515 338004289 /nfs/dbraw/zinc/00/42/89/338004289.db2.gz YVGPJJQIQQOXSR-UWVGGRQHSA-N -1 0 301.308 3.672 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000426120162 338020730 /nfs/dbraw/zinc/02/07/30/338020730.db2.gz 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Cc1c2cccc(C)c2oc1C(=O)NCCCCCCC(=O)[O-] ZINC000237673885 525970454 /nfs/dbraw/zinc/97/04/54/525970454.db2.gz NMLADHHGQJCBQA-UHFFFAOYSA-N -1 0 317.385 3.815 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)NC1CCCCCC1)C(=O)[O-] ZINC000237552625 525993725 /nfs/dbraw/zinc/99/37/25/525993725.db2.gz HWHBMNLZMNYDQA-LBPRGKRZSA-N -1 0 321.442 3.704 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CC1 ZINC000262129684 526045581 /nfs/dbraw/zinc/04/55/81/526045581.db2.gz NYKXQFJKKPPGQN-WKPIXPDZSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000171790606 526110047 /nfs/dbraw/zinc/11/00/47/526110047.db2.gz ADEUHRMJMMJEJK-PNESKVBLSA-N -1 0 323.820 3.750 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000247067840 526111274 /nfs/dbraw/zinc/11/12/74/526111274.db2.gz HHINUYLPCYAXHR-JHJVBQTASA-N -1 0 323.820 3.750 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N[C@H](c2ccccc2)C2CCC2)C1 ZINC000180121037 526325326 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O=C([O-])CCSCc1cccc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000238212220 527594372 /nfs/dbraw/zinc/59/43/72/527594372.db2.gz ZQQANQPOARWMOH-ZDUSSCGKSA-N -1 0 319.426 3.689 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000245670442 527597657 /nfs/dbraw/zinc/59/76/57/527597657.db2.gz PFXKIZKCFKHDBB-VVLHAWIVSA-N -1 0 321.461 3.696 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000386009041 596976466 /nfs/dbraw/zinc/97/64/66/596976466.db2.gz PGBSMLSRSOGXGP-UHFFFAOYSA-N -1 0 304.390 3.637 20 0 DHADRM CC(C)CC1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000817868945 597121271 /nfs/dbraw/zinc/12/12/71/597121271.db2.gz DNYNROXXSVZBSD-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])Cc1cccc(NCc2cccc(OC(F)F)c2)c1 ZINC000819579661 597138305 /nfs/dbraw/zinc/13/83/05/597138305.db2.gz LHLGRHLRWKMRCT-UHFFFAOYSA-N -1 0 307.296 3.527 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)NCCCCCC(=O)[O-] ZINC000244291282 597166062 /nfs/dbraw/zinc/16/60/62/597166062.db2.gz WVUWTNPOYRSONT-UHFFFAOYSA-N -1 0 306.406 3.751 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000383668622 597202411 /nfs/dbraw/zinc/20/24/11/597202411.db2.gz SLDKWWHETWWYCJ-UHFFFAOYSA-N -1 0 324.380 3.510 20 0 DHADRM C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818070914 597281652 /nfs/dbraw/zinc/28/16/52/597281652.db2.gz DUSZSYBLDSFGOZ-MQJDWESPSA-N -1 0 306.358 3.534 20 0 DHADRM Cc1cccc([C@H](C)[S@@](=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000818939269 597286650 /nfs/dbraw/zinc/28/66/50/597286650.db2.gz JMCPXUZRQVTMGM-ZSEKCTLFSA-N -1 0 302.395 3.703 20 0 DHADRM CN(C(=O)Nc1ccccc1CC(=O)[O-])C1CCCCCC1 ZINC000314829033 597320881 /nfs/dbraw/zinc/32/08/81/597320881.db2.gz FTGMRDJUCILALT-UHFFFAOYSA-N -1 0 304.390 3.500 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818132330 597325825 /nfs/dbraw/zinc/32/58/25/597325825.db2.gz SUZWSPMZBSRURY-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])CCCCSc1nnc(-c2ccc(Cl)s2)o1 ZINC000738575641 597757018 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ZINC000736983523 599709299 /nfs/dbraw/zinc/70/92/99/599709299.db2.gz AFZVMDBBYBBHSK-NSHDSACASA-N -1 0 322.455 3.916 20 0 DHADRM C[C@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736568642 599710515 /nfs/dbraw/zinc/71/05/15/599710515.db2.gz HGCXNRMWHWQSGU-CYBMUJFWSA-N -1 0 312.369 3.652 20 0 DHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)CCNC(=O)[O-])C(C)C)cc1 ZINC000736890693 599712238 /nfs/dbraw/zinc/71/22/38/599712238.db2.gz GUBFXEDEJUMUOW-GUYCJALGSA-N -1 0 320.433 3.671 20 0 DHADRM CC[C@H](C)c1ccc([C@H](NC(=O)CCNC(=O)[O-])C(C)C)cc1 ZINC000736890694 599712403 /nfs/dbraw/zinc/71/24/03/599712403.db2.gz GUBFXEDEJUMUOW-SUMWQHHRSA-N -1 0 320.433 3.671 20 0 DHADRM Cc1csc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000738817084 599715635 /nfs/dbraw/zinc/71/56/35/599715635.db2.gz SNLJRYVPPAENGE-ZIAGYGMSSA-N -1 0 320.389 3.553 20 0 DHADRM Cc1csc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000738817083 599715694 /nfs/dbraw/zinc/71/56/94/599715694.db2.gz SNLJRYVPPAENGE-UONOGXRCSA-N -1 0 320.389 3.553 20 0 DHADRM CCN(Cc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC000737103271 599719292 /nfs/dbraw/zinc/71/92/92/599719292.db2.gz GBERUNWVZFLUFZ-UHFFFAOYSA-N -1 0 305.324 3.685 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736861793 599733990 /nfs/dbraw/zinc/73/39/90/599733990.db2.gz VTXSNDNBXPSXCO-SFHVURJKSA-N -1 0 312.369 3.832 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1Cl ZINC000315639204 599744019 /nfs/dbraw/zinc/74/40/19/599744019.db2.gz ZKIMAQCZYJKGHW-UHFFFAOYSA-N -1 0 314.728 3.772 20 0 DHADRM CCc1ccc([C@H](C)C(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000737257477 599744640 /nfs/dbraw/zinc/74/46/40/599744640.db2.gz PLANSPQNSDZHPY-NSHDSACASA-N -1 0 316.353 3.696 20 0 DHADRM CCCN(C(=O)CCCN(C)C(=O)[O-])[C@H](CC)c1ccccc1 ZINC000737010051 599745680 /nfs/dbraw/zinc/74/56/80/599745680.db2.gz WTMNLBKKAPTDNJ-MRXNPFEDSA-N -1 0 320.433 3.766 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737256297 599745853 /nfs/dbraw/zinc/74/58/53/599745853.db2.gz 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599796118 /nfs/dbraw/zinc/79/61/18/599796118.db2.gz SNTOAMMRYVTALH-UHFFFAOYSA-N -1 0 320.392 3.733 20 0 DHADRM O=C([O-])c1sccc1NC(=O)c1cc2ccccc2s1 ZINC000036977763 599804032 /nfs/dbraw/zinc/80/40/32/599804032.db2.gz VTSIRNBAZJSVGI-UHFFFAOYSA-N -1 0 303.364 3.913 20 0 DHADRM Cc1ccc(SCC(=O)Nc2ccsc2C(=O)[O-])cc1C ZINC000738668296 599804051 /nfs/dbraw/zinc/80/40/51/599804051.db2.gz WBQWOTFDMNXZRQ-UHFFFAOYSA-N -1 0 321.423 3.794 20 0 DHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738747863 599805364 /nfs/dbraw/zinc/80/53/64/599805364.db2.gz LAXLYLRYFVPXKE-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM O=C([O-])c1cccc(NC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000238222185 599807543 /nfs/dbraw/zinc/80/75/43/599807543.db2.gz XCEKXTYYANGLCU-AWEZNQCLSA-N -1 0 309.365 3.834 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1ccsc1 ZINC000738529074 599807710 /nfs/dbraw/zinc/80/77/10/599807710.db2.gz UMCZXGZQGCBFAH-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000739883906 599808539 /nfs/dbraw/zinc/80/85/39/599808539.db2.gz HQJZXUAJFCUJPW-MRXNPFEDSA-N -1 0 324.376 3.729 20 0 DHADRM O=C([O-])C1(NC(=O)c2ccc(C(F)F)cc2)CCCCCC1 ZINC000739373272 599810046 /nfs/dbraw/zinc/81/00/46/599810046.db2.gz IRJFYNJGSFEXBU-UHFFFAOYSA-N -1 0 311.328 3.532 20 0 DHADRM Cc1cc(OCc2cccc(F)c2)ccc1N[C@@H](C)C(=O)[O-] ZINC000738239873 599815347 /nfs/dbraw/zinc/81/53/47/599815347.db2.gz NEPKHPVAPJSJAC-LBPRGKRZSA-N -1 0 303.333 3.598 20 0 DHADRM COc1ccc(C(=O)Oc2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC000737948980 599816628 /nfs/dbraw/zinc/81/66/28/599816628.db2.gz VBEPMHBBIVJGHW-UHFFFAOYSA-N -1 0 320.728 3.574 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000391098635 599823512 /nfs/dbraw/zinc/82/35/12/599823512.db2.gz WOOVEBVJDGCRDS-UKRRQHHQSA-N -1 0 318.417 3.652 20 0 DHADRM O=C([O-])/C(=C\c1ccc(Br)s1)c1ccncc1 ZINC000739490290 599831388 /nfs/dbraw/zinc/83/13/88/599831388.db2.gz LOJBEFAKZDARQL-YFHOEESVSA-N -1 0 310.172 3.531 20 0 DHADRM Cc1cc(/C=C(/C(=O)[O-])c2ccncc2)cc(C)c1OC(F)F ZINC000738378158 599831489 /nfs/dbraw/zinc/83/14/89/599831489.db2.gz BHSWXGIJMUBLPZ-NTEUORMPSA-N -1 0 319.307 3.925 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000383574183 599836608 /nfs/dbraw/zinc/83/66/08/599836608.db2.gz ACUBWCSVZBAQML-NSHDSACASA-N -1 0 316.332 3.749 20 0 DHADRM Cc1[nH]c(C(=O)N2CCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC000738157602 599837558 /nfs/dbraw/zinc/83/75/58/599837558.db2.gz BMAUTAFLKSDEHF-UHFFFAOYSA-N -1 0 318.417 3.516 20 0 DHADRM CN(CCCC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000737438484 599839147 /nfs/dbraw/zinc/83/91/47/599839147.db2.gz SAMVKEPXYPQOII-UHFFFAOYSA-N -1 0 313.353 3.649 20 0 DHADRM C[C@H](c1nc2ccccc2s1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000571768944 599845678 /nfs/dbraw/zinc/84/56/78/599845678.db2.gz RDQOICVFLJYMGA-SNVBAGLBSA-N -1 0 316.382 3.781 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/c1ccccc1Cl ZINC000386523344 599847341 /nfs/dbraw/zinc/84/73/41/599847341.db2.gz 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CCC(C)(C)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000828609807 601063647 /nfs/dbraw/zinc/06/36/47/601063647.db2.gz ZTLYWGOZCUSXTN-CQSZACIVSA-N -1 0 305.418 3.562 20 0 DHADRM CC/C(=C\C(=O)N[C@](C)(CC)C(=O)[O-])c1cccc(Cl)c1 ZINC000828548900 601063787 /nfs/dbraw/zinc/06/37/87/601063787.db2.gz GUPBNEDNRNDRDW-SIFUEBAJSA-N -1 0 309.793 3.503 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCC(F)(F)F)c1 ZINC000130940773 601068301 /nfs/dbraw/zinc/06/83/01/601068301.db2.gz JVXDDEBJMVMIOU-UHFFFAOYSA-N -1 0 324.686 3.502 20 0 DHADRM CCC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000828608646 601078359 /nfs/dbraw/zinc/07/83/59/601078359.db2.gz GUVNOVOXUMBCHQ-CYBMUJFWSA-N -1 0 311.809 3.798 20 0 DHADRM C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000262493725 601081974 /nfs/dbraw/zinc/08/19/74/601081974.db2.gz MLTBMDXDHUZDRX-YOEHRIQHSA-N -1 0 317.429 3.578 20 0 DHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000321115818 601089706 /nfs/dbraw/zinc/08/97/06/601089706.db2.gz GWGGGBLGAACPJZ-STQMWFEESA-N -1 0 318.417 3.559 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2(C)CCCC2)cc1 ZINC000316579951 601089932 /nfs/dbraw/zinc/08/99/32/601089932.db2.gz MJZGCUHHWNXXNV-UHFFFAOYSA-N -1 0 304.390 3.503 20 0 DHADRM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390924113 601095543 /nfs/dbraw/zinc/09/55/43/601095543.db2.gz FJNYOFVMKMQDOI-OLZOCXBDSA-N -1 0 320.433 3.995 20 0 DHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000825723851 601114854 /nfs/dbraw/zinc/11/48/54/601114854.db2.gz CFRQLZWDHYSWHX-FLVLSHQESA-N -1 0 314.312 3.598 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1 ZINC000738682660 601115190 /nfs/dbraw/zinc/11/51/90/601115190.db2.gz AAQZZDOOTPAIJG-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM CCN(C(=O)CCCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000737053612 601125250 /nfs/dbraw/zinc/12/52/50/601125250.db2.gz VAEIXWADXIPPQS-UHFFFAOYSA-N -1 0 324.446 3.945 20 0 DHADRM CCC(CC)N(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CC1 ZINC000828859352 601129493 /nfs/dbraw/zinc/12/94/93/601129493.db2.gz YWRNSRUFHCSLSR-UHFFFAOYSA-N -1 0 318.417 3.889 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N(C2CC2)C2CCCC2)c1 ZINC000833297923 601134540 /nfs/dbraw/zinc/13/45/40/601134540.db2.gz ORCRYZAMOPVMPE-UHFFFAOYSA-N -1 0 322.792 3.977 20 0 DHADRM Cc1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c(F)cc1F ZINC000832869721 601136357 /nfs/dbraw/zinc/13/63/57/601136357.db2.gz LEASRDAIBUZZLY-UHFFFAOYSA-N -1 0 307.252 3.582 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000316287556 601136482 /nfs/dbraw/zinc/13/64/82/601136482.db2.gz KHJQCTUBHYVMTG-LLVKDONJSA-N -1 0 318.398 3.946 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828160705 601139852 /nfs/dbraw/zinc/13/98/52/601139852.db2.gz JJKHBBJRJFARAL-RISCZKNCSA-N -1 0 304.390 3.721 20 0 DHADRM C/C=C(\C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828535217 601175041 /nfs/dbraw/zinc/17/50/41/601175041.db2.gz YRWNYJCQTPJFMO-KTROKBFUSA-N -1 0 303.141 3.629 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000827825135 601186267 /nfs/dbraw/zinc/18/62/67/601186267.db2.gz CYOHRWFMEGXVFS-SDDRHHMPSA-N -1 0 310.777 3.835 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000829285500 601196540 /nfs/dbraw/zinc/19/65/40/601196540.db2.gz MWICAQLHFOIERZ-ZDUSSCGKSA-N -1 0 324.421 3.787 20 0 DHADRM CCS[C@@H]1CCC[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1 ZINC000830158482 601209041 /nfs/dbraw/zinc/20/90/41/601209041.db2.gz WLHYFXHQMPIMDZ-JGVFFNPUSA-N -1 0 320.867 3.971 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000386306676 601207266 /nfs/dbraw/zinc/20/72/66/601207266.db2.gz CDDDKHDAGGPYPT-MNOVXSKESA-N -1 0 306.749 3.748 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000326579447 601207830 /nfs/dbraw/zinc/20/78/30/601207830.db2.gz ARGJFWQUKNWDCO-CHWSQXEVSA-N -1 0 323.352 3.643 20 0 DHADRM CCS[C@H]1CCC[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1 ZINC000830158484 601208984 /nfs/dbraw/zinc/20/89/84/601208984.db2.gz WLHYFXHQMPIMDZ-SFYZADRCSA-N -1 0 320.867 3.971 20 0 DHADRM O=C([O-])c1cc(NCc2cccc3cccnc32)c(F)cc1F ZINC000319924420 601246509 /nfs/dbraw/zinc/24/65/09/601246509.db2.gz BVVRBBIKLYUGMM-UHFFFAOYSA-N -1 0 314.291 3.823 20 0 DHADRM O=C([O-])c1sc(N2CCC[C@H]2c2ccsc2)nc1Cl ZINC000833346666 601248919 /nfs/dbraw/zinc/24/89/19/601248919.db2.gz PXENHLZNRSDRGO-QMMMGPOBSA-N -1 0 314.819 3.898 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630772 601278324 /nfs/dbraw/zinc/27/83/24/601278324.db2.gz YAJSGRBDLBIXDW-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM C[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CCCC1 ZINC000826014696 601285672 /nfs/dbraw/zinc/28/56/72/601285672.db2.gz UPHZKLNJWBUUDZ-LBPRGKRZSA-N -1 0 304.390 3.561 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262188462 601307348 /nfs/dbraw/zinc/30/73/48/601307348.db2.gz YLRTZZLKSMJVIL-GHMZBOCLSA-N -1 0 323.355 3.505 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1ccc2ccccc2c1 ZINC000262212566 601307867 /nfs/dbraw/zinc/30/78/67/601307867.db2.gz SEMTWLLOMQPWSM-UHFFFAOYSA-N -1 0 313.397 3.532 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000828710271 601314941 /nfs/dbraw/zinc/31/49/41/601314941.db2.gz WLKZTVKMTKNDLB-CXAGYDPISA-N -1 0 319.445 3.532 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828200956 601333650 /nfs/dbraw/zinc/33/36/50/601333650.db2.gz MIIOILQCLGEBTF-ZLDLUXBVSA-N -1 0 302.374 3.570 20 0 DHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(C(=O)[O-])cc1 ZINC000621490503 601342313 /nfs/dbraw/zinc/34/23/13/601342313.db2.gz AIAMEWKBQBPUFA-JTQLQIEISA-N -1 0 314.312 3.793 20 0 DHADRM C[C@H](SCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000125732147 601344433 /nfs/dbraw/zinc/34/44/33/601344433.db2.gz AXWCMEOYWHJTTP-LURJTMIESA-N -1 0 309.612 3.809 20 0 DHADRM COCc1ccc(S[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831817713 601348709 /nfs/dbraw/zinc/34/87/09/601348709.db2.gz SUJILJYVSVLPRF-HNNXBMFYSA-N -1 0 306.358 3.890 20 0 DHADRM O=C([O-])c1ccc(OC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000833096906 601349598 /nfs/dbraw/zinc/34/95/98/601349598.db2.gz WNEVDJRDLSHKEH-UPHRSURJSA-N -1 0 300.285 3.533 20 0 DHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828233821 601381079 /nfs/dbraw/zinc/38/10/79/601381079.db2.gz SSUSACYMMBAMGO-YABSGUDNSA-N -1 0 305.378 3.723 20 0 DHADRM Cc1ccc(-c2nc(/C=C/c3ncc(C(=O)[O-])s3)co2)cc1 ZINC000480323638 601392975 /nfs/dbraw/zinc/39/29/75/601392975.db2.gz DHRJBLRXOSWUTR-VOTSOKGWSA-N -1 0 312.350 3.975 20 0 DHADRM O=C([O-])c1cccc(-c2noc(C3(c4ccccc4)CC3)n2)c1 ZINC000320704441 601402905 /nfs/dbraw/zinc/40/29/05/601402905.db2.gz GTSXOPLXXRVPKA-UHFFFAOYSA-N -1 0 306.321 3.515 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CC1 ZINC000826061241 601403998 /nfs/dbraw/zinc/40/39/98/601403998.db2.gz HBNICIPXGIRUED-MADCSZMMSA-N -1 0 317.168 3.708 20 0 DHADRM C/C(=C/COC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000825754495 601423679 /nfs/dbraw/zinc/42/36/79/601423679.db2.gz ZYEHVZKKJZADCR-SQFISAMPSA-N -1 0 324.376 3.567 20 0 DHADRM C/C(=C/COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000825752985 601424472 /nfs/dbraw/zinc/42/44/72/601424472.db2.gz QAVRLSODGAQZPW-DSKWWVGFSA-N -1 0 310.349 3.517 20 0 DHADRM C/C(=C\COC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000825751985 601428461 /nfs/dbraw/zinc/42/84/61/601428461.db2.gz GVQJSYKKXSRELG-ACCUITESSA-N -1 0 302.370 3.535 20 0 DHADRM CC(C)c1cnc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC000827140037 601430480 /nfs/dbraw/zinc/43/04/80/601430480.db2.gz WZNJIUFSSBUXIE-LSDHHAIUSA-N -1 0 320.433 3.653 20 0 DHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934285 601437330 /nfs/dbraw/zinc/43/73/30/601437330.db2.gz DGKORCNGUKSGSU-SDBXPKJASA-N -1 0 306.164 3.553 20 0 DHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000828764828 601441800 /nfs/dbraw/zinc/44/18/00/601441800.db2.gz OCYPGFUSZAKETR-SNVBAGLBSA-N -1 0 319.382 3.876 20 0 DHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832220883 601442156 /nfs/dbraw/zinc/44/21/56/601442156.db2.gz KDJWBXQDQAPCQZ-SNVBAGLBSA-N -1 0 319.382 3.587 20 0 DHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000826064150 601446039 /nfs/dbraw/zinc/44/60/39/601446039.db2.gz GHQUIXIRDVTMBT-SSDOTTSWSA-N -1 0 314.746 3.540 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ncc(C(C)C)o1 ZINC000827047498 601446451 /nfs/dbraw/zinc/44/64/51/601446451.db2.gz JNFRACJOOROGGW-UHFFFAOYSA-N -1 0 318.373 3.896 20 0 DHADRM C/C(=C\C(=O)N1CCCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000825717004 601446970 /nfs/dbraw/zinc/44/69/70/601446970.db2.gz QMNACHUYKQVKGA-RZXPCSSPSA-N -1 0 321.804 3.599 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828863021 601453209 /nfs/dbraw/zinc/45/32/09/601453209.db2.gz RVALKCSLHANBLT-UHFFFAOYSA-N -1 0 308.422 3.617 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000237136756 601461957 /nfs/dbraw/zinc/46/19/57/601461957.db2.gz SCPQRNHREZEBJM-GOSISDBHSA-N -1 0 317.385 3.731 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1cccc(F)c1 ZINC000830379050 601466600 /nfs/dbraw/zinc/46/66/00/601466600.db2.gz HRQQSYOISZGSQO-JTQLQIEISA-N -1 0 320.316 3.526 20 0 DHADRM C[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc(Cl)s1 ZINC000826071397 601475109 /nfs/dbraw/zinc/47/51/09/601475109.db2.gz LHFHCVFAWOTPJS-ZETCQYMHSA-N -1 0 314.746 3.540 20 0 DHADRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000826071136 601475275 /nfs/dbraw/zinc/47/52/75/601475275.db2.gz JABTXDWBZASIBD-VIFPVBQESA-N -1 0 324.785 3.947 20 0 DHADRM Cc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(Cl)c1 ZINC000315912285 601484462 /nfs/dbraw/zinc/48/44/62/601484462.db2.gz NGXYOOFKLGHSIP-UHFFFAOYSA-N -1 0 324.808 3.757 20 0 DHADRM C[C@H]1CC/C(=C/c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC000828207713 601497631 /nfs/dbraw/zinc/49/76/31/601497631.db2.gz PMGFOEBZWPEMIU-LCFDYFRESA-N -1 0 314.341 3.550 20 0 DHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000832927844 601499291 /nfs/dbraw/zinc/49/92/91/601499291.db2.gz CCGXKDWIJBVEHY-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc(/C=C/CC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000832928564 601504919 /nfs/dbraw/zinc/50/49/19/601504919.db2.gz UHHHFHFKZOCZCG-NSCUHMNNSA-N -1 0 321.376 3.686 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C1CC1 ZINC000833199268 601541397 /nfs/dbraw/zinc/54/13/97/601541397.db2.gz VKADZXFNDPHXGZ-LLVKDONJSA-N -1 0 323.801 3.538 20 0 DHADRM O=C([O-])C[C@H]1CN(Cc2ccc(F)cc2F)c2ccccc21 ZINC000317197710 601549006 /nfs/dbraw/zinc/54/90/06/601549006.db2.gz ZQVJSRDJWWFRQE-LBPRGKRZSA-N -1 0 303.308 3.543 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\SCc1ccco1 ZINC000492350987 601557515 /nfs/dbraw/zinc/55/75/15/601557515.db2.gz SCWSVBDDJHXIOD-VURMDHGXSA-N -1 0 317.366 3.672 20 0 DHADRM O=C([O-])c1ccc(N[C@@H](c2ccccc2)c2cccc(F)c2)nn1 ZINC000833319785 601566551 /nfs/dbraw/zinc/56/65/51/601566551.db2.gz CHAZKGMASVHKQB-KRWDZBQOSA-N -1 0 323.327 3.515 20 0 DHADRM Cc1ccc(/C=C\CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832930279 601567446 /nfs/dbraw/zinc/56/74/46/601567446.db2.gz UCIKHVIFXBQRTO-OOFWQKGWSA-N -1 0 310.349 3.767 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)/C=C\SCc2ccco2)cc1 ZINC000833290196 601571824 /nfs/dbraw/zinc/57/18/24/601571824.db2.gz POCYGVQPGNAQGR-CLFYSBASSA-N -1 0 319.338 3.722 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832970945 601604074 /nfs/dbraw/zinc/60/40/74/601604074.db2.gz MXKOTOQMUZTCOF-XJKSGUPXSA-N -1 0 312.369 3.579 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000315638822 601612417 /nfs/dbraw/zinc/61/24/17/601612417.db2.gz RAGCMMHPYMFDFP-MDZDMXLPSA-N -1 0 315.756 3.619 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/Sc1ccccc1 ZINC000178248285 601614962 /nfs/dbraw/zinc/61/49/62/601614962.db2.gz OXDAPPANICLQBI-ZHACJKMWSA-N -1 0 313.378 3.558 20 0 DHADRM C[C@@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235696207 601615620 /nfs/dbraw/zinc/61/56/20/601615620.db2.gz XLNOTUDARRBLTC-SNVBAGLBSA-N -1 0 305.374 3.705 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000238079430 601615890 /nfs/dbraw/zinc/61/58/90/601615890.db2.gz CDMOBMJXYJRZFY-UHFFFAOYSA-N -1 0 319.360 3.648 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C1CCCC1 ZINC000826009116 601620915 /nfs/dbraw/zinc/62/09/15/601620915.db2.gz SMPMPJJJFYWNEF-ABAIWWIYSA-N -1 0 323.820 3.798 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000391019126 601623205 /nfs/dbraw/zinc/62/32/05/601623205.db2.gz DLYXCEICSSPUGM-ZBFHGGJFSA-N -1 0 316.401 3.500 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000236746061 601628796 /nfs/dbraw/zinc/62/87/96/601628796.db2.gz RBJPRURLBUDLCZ-RHSMWYFYSA-N -1 0 317.429 3.769 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1ccc(C=O)cc1Cl ZINC000122690291 601633566 /nfs/dbraw/zinc/63/35/66/601633566.db2.gz KUWXUJYSUYGEQI-UHFFFAOYSA-N -1 0 310.758 3.800 20 0 DHADRM CC(=O)c1ccc(OCc2cc(C(=O)[O-])sc2C)c(F)c1 ZINC000825956772 601635385 /nfs/dbraw/zinc/63/53/85/601635385.db2.gz FKWTXYTXDQXKDH-UHFFFAOYSA-N -1 0 308.330 3.675 20 0 DHADRM Cc1sc(C(=O)[O-])cc1Cn1ccc(-c2cccs2)n1 ZINC000833033748 601635552 /nfs/dbraw/zinc/63/55/52/601635552.db2.gz LJDPFGSCRLUPFU-UHFFFAOYSA-N -1 0 304.396 3.728 20 0 DHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC000832857491 601652391 /nfs/dbraw/zinc/65/23/91/601652391.db2.gz QCADCLKNXQCJGE-GDBMZVCRSA-N -1 0 309.365 3.511 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)sc1C(=O)[O-] ZINC000832893649 601654131 /nfs/dbraw/zinc/65/41/31/601654131.db2.gz WFDRPPODODDWEI-CHWSQXEVSA-N -1 0 315.394 3.572 20 0 DHADRM CCN(CC)C(=S)SCc1cc(C(=O)[O-])sc1C ZINC000829658725 601671071 /nfs/dbraw/zinc/67/10/71/601671071.db2.gz NZFRARKJKXQHKK-UHFFFAOYSA-N -1 0 303.474 3.615 20 0 DHADRM Cc1[nH]c(=O)nc(SCC[C@H]2C[C@H](C)C[C@H](C)C2)c1C(=O)[O-] ZINC000832843406 601673531 /nfs/dbraw/zinc/67/35/31/601673531.db2.gz WHBLBKINWINDQT-IAZYJMLFSA-N -1 0 324.446 3.743 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000769690268 601675834 /nfs/dbraw/zinc/67/58/34/601675834.db2.gz WVNCTGSIRRAILP-JQRITLKVSA-N -1 0 303.402 3.573 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000828763795 601675840 /nfs/dbraw/zinc/67/58/40/601675840.db2.gz CPYZKPVNXVWHIR-JTQLQIEISA-N -1 0 300.358 3.787 20 0 DHADRM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000829591277 601678326 /nfs/dbraw/zinc/67/83/26/601678326.db2.gz RCPBAJSEZWHNHR-DOTOQJQBSA-N -1 0 323.392 3.617 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2Cl)cc1F ZINC000833316285 601704633 /nfs/dbraw/zinc/70/46/33/601704633.db2.gz YDDRRQSWYJNGPI-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM O=C([O-])c1ccc(COC(=O)CCCc2cccs2)cc1F ZINC000833099506 601715385 /nfs/dbraw/zinc/71/53/85/601715385.db2.gz QYHKMYAAQZASIE-UHFFFAOYSA-N -1 0 322.357 3.652 20 0 DHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000830528605 601721263 /nfs/dbraw/zinc/72/12/63/601721263.db2.gz 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ZINC000738139348 601808787 /nfs/dbraw/zinc/80/87/87/601808787.db2.gz CJCMHPDXHUDUBU-UHFFFAOYSA-N -1 0 313.444 3.796 20 0 DHADRM COc1ccccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832589874 601809129 /nfs/dbraw/zinc/80/91/29/601809129.db2.gz VEVZSPGNPQSNPX-UHFFFAOYSA-N -1 0 317.366 3.585 20 0 DHADRM O=C([O-])c1sccc1CSc1nccn1-c1ccccc1 ZINC000833348528 601810068 /nfs/dbraw/zinc/81/00/68/601810068.db2.gz YGUBSXBBRMPHDP-UHFFFAOYSA-N -1 0 316.407 3.924 20 0 DHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CCc1ccsc1 ZINC000833103608 601810263 /nfs/dbraw/zinc/81/02/63/601810263.db2.gz WAXGKGIWUOWLER-UHFFFAOYSA-N -1 0 321.423 3.957 20 0 DHADRM Cc1csc([C@H]2CCCCN2Cc2ccsc2C(=O)[O-])n1 ZINC000566360374 601811241 /nfs/dbraw/zinc/81/12/41/601811241.db2.gz XAGMVDCJFDXVAN-GFCCVEGCSA-N -1 0 322.455 3.938 20 0 DHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc2ccccc2c1 ZINC000826008488 601812341 /nfs/dbraw/zinc/81/23/41/601812341.db2.gz JKEAXGQSYGJUOY-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM Cc1nn(C)c(Cl)c1CSCc1ccc(C(=O)[O-])s1 ZINC000833014750 601846591 /nfs/dbraw/zinc/84/65/91/601846591.db2.gz XAFSCHRXPFUJJF-UHFFFAOYSA-N -1 0 316.835 3.575 20 0 DHADRM CC1(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)CCCCC1 ZINC000828102160 601891194 /nfs/dbraw/zinc/89/11/94/601891194.db2.gz IIRZHYMZJSYVAQ-UHFFFAOYSA-N -1 0 305.378 3.868 20 0 DHADRM O=C([O-])c1sccc1COc1ccc2c(c1)CCCC2=O ZINC000110953029 601892877 /nfs/dbraw/zinc/89/28/77/601892877.db2.gz SKCOGOFACMPDNU-UHFFFAOYSA-N -1 0 302.351 3.544 20 0 DHADRM CSc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262075864 601912261 /nfs/dbraw/zinc/91/22/61/601912261.db2.gz JMJKWOPFELJEBB-CABCVRRESA-N -1 0 321.442 3.562 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@H](CC)NC(=O)[O-])c(C)c1 ZINC000739251757 601941453 /nfs/dbraw/zinc/94/14/53/601941453.db2.gz WVFVCYZOVLJYHU-AAEUAGOBSA-N -1 0 324.446 3.870 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccn(C2CCCC2)n1 ZINC000387046290 601954783 /nfs/dbraw/zinc/95/47/83/601954783.db2.gz IMQRRPQSFADYGS-UHFFFAOYSA-N -1 0 320.776 3.929 20 0 DHADRM CC[N@H+](Cc1ccc(C(=O)[O-])s1)[C@@H](C)c1cccc(O)c1 ZINC000829719167 601957401 /nfs/dbraw/zinc/95/74/01/601957401.db2.gz ZYHLHYKRZNCURH-NSHDSACASA-N -1 0 305.399 3.735 20 0 DHADRM Cc1cc(Cl)cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832886730 601981480 /nfs/dbraw/zinc/98/14/80/601981480.db2.gz UATXXNSEWHUATF-UHFFFAOYSA-N -1 0 305.717 3.958 20 0 DHADRM Cc1cc(Cl)cc(C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832885933 601983765 /nfs/dbraw/zinc/98/37/65/601983765.db2.gz RGOKYLHXAJHCPN-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2sccc2C2CC2)s1 ZINC000833315324 602007050 /nfs/dbraw/zinc/00/70/50/602007050.db2.gz SDELNOZKNZXBOI-UHFFFAOYSA-N -1 0 308.380 3.742 20 0 DHADRM C/C(=C\C(=O)OCc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC000825724055 602009260 /nfs/dbraw/zinc/00/92/60/602009260.db2.gz HVZDWAPVKUVWLA-JXMROGBWSA-N -1 0 320.341 3.732 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000761617754 602013960 /nfs/dbraw/zinc/01/39/60/602013960.db2.gz CAWNQZHINZDSOR-HNNXBMFYSA-N -1 0 317.772 3.546 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000761617755 602014017 /nfs/dbraw/zinc/01/40/17/602014017.db2.gz CAWNQZHINZDSOR-OAHLLOKOSA-N -1 0 317.772 3.546 20 0 DHADRM CCc1ccccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000830281842 602027062 /nfs/dbraw/zinc/02/70/62/602027062.db2.gz DPJMDEKJNKHLPN-GOEBONIOSA-N -1 0 318.417 3.794 20 0 DHADRM CN(Cc1ccco1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859866 602031535 /nfs/dbraw/zinc/03/15/35/602031535.db2.gz MYNMNOYUXDYVQQ-ZDUSSCGKSA-N -1 0 314.168 3.844 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000826832784 602032694 /nfs/dbraw/zinc/03/26/94/602032694.db2.gz XTCXFLKLRYCNGR-CYBMUJFWSA-N -1 0 322.380 3.956 20 0 DHADRM CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000317608781 602038220 /nfs/dbraw/zinc/03/82/20/602038220.db2.gz SRMBEXBBDOGTMW-ZDUSSCGKSA-N -1 0 308.353 3.614 20 0 DHADRM CCn1c2ccccc2nc1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000830403263 602069244 /nfs/dbraw/zinc/06/92/44/602069244.db2.gz MILVUWWYSRVDRN-LBPRGKRZSA-N -1 0 310.353 3.575 20 0 DHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832953239 602070836 /nfs/dbraw/zinc/07/08/36/602070836.db2.gz DFFBYDLLUPAHNY-ZDUSSCGKSA-N -1 0 313.353 3.837 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000555634625 602074762 /nfs/dbraw/zinc/07/47/62/602074762.db2.gz OSBOQZDODMJCNO-INIZCTEOSA-N -1 0 311.381 3.521 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000315933557 602086873 /nfs/dbraw/zinc/08/68/73/602086873.db2.gz RMMMMKYBWFPZOJ-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM CCC[C@H]1CCc2ccccc2N1C(=O)CCCN(C)C(=O)[O-] ZINC000829266260 602086849 /nfs/dbraw/zinc/08/68/49/602086849.db2.gz HWQRYHLOHPDUJU-HNNXBMFYSA-N -1 0 318.417 3.525 20 0 DHADRM CSc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000387767387 602090255 /nfs/dbraw/zinc/09/02/55/602090255.db2.gz FDGBXGIADUDFEH-UHFFFAOYSA-N -1 0 316.382 3.680 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000828233230 602094681 /nfs/dbraw/zinc/09/46/81/602094681.db2.gz MTCGBWJIENCUFX-GJZGRUSLSA-N -1 0 312.454 3.632 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000827274341 602097673 /nfs/dbraw/zinc/09/76/73/602097673.db2.gz XEZGSKAXEOEOTF-GUYCJALGSA-N -1 0 303.402 3.535 20 0 DHADRM CC(C)c1ccc(NCc2nccn2C(C)C)c(C(=O)[O-])c1 ZINC000827125168 602100788 /nfs/dbraw/zinc/10/07/88/602100788.db2.gz YPSWDLQXEOWLJN-UHFFFAOYSA-N -1 0 301.390 3.898 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009335 602104380 /nfs/dbraw/zinc/10/43/80/602104380.db2.gz BRTGBCXUJYJERS-LLVKDONJSA-N -1 0 311.403 3.513 20 0 DHADRM Cc1c(NC(=O)[C@@H](C)OC2CCCCCC2)cccc1C(=O)[O-] ZINC000678975228 602110524 /nfs/dbraw/zinc/11/05/24/602110524.db2.gz DZKFMKLWOSGDSS-CYBMUJFWSA-N -1 0 319.401 3.760 20 0 DHADRM CSc1cccc(N(C)C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738214548 602114183 /nfs/dbraw/zinc/11/41/83/602114183.db2.gz MBPYGQXJAIZWSG-UHFFFAOYSA-N -1 0 316.382 3.775 20 0 DHADRM CCCN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000829453200 602118162 /nfs/dbraw/zinc/11/81/62/602118162.db2.gz PASATXHKBGIMGH-CHWSQXEVSA-N -1 0 317.385 3.843 20 0 DHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827873819 602120252 /nfs/dbraw/zinc/12/02/52/602120252.db2.gz PTKLHOKTUXETJL-LLVKDONJSA-N -1 0 323.364 3.590 20 0 DHADRM CCC(CC)(CC)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828810045 602131172 /nfs/dbraw/zinc/13/11/72/602131172.db2.gz FZPIOKJMKVZHGK-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000827247073 602131952 /nfs/dbraw/zinc/13/19/52/602131952.db2.gz ILHFZBJYCZSVEF-ZDUSSCGKSA-N -1 0 313.353 3.553 20 0 DHADRM CCCC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000829230852 602143225 /nfs/dbraw/zinc/14/32/25/602143225.db2.gz OPWLKMUINAQXJR-UHFFFAOYSA-N -1 0 317.410 3.796 20 0 DHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000828574732 602159528 /nfs/dbraw/zinc/15/95/28/602159528.db2.gz WWLLDZSGZKGWLL-UHFFFAOYSA-N -1 0 311.337 3.538 20 0 DHADRM COc1cc(OC)cc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000314639725 602162434 /nfs/dbraw/zinc/16/24/34/602162434.db2.gz ZYWPNQNPNHBTIN-OAHLLOKOSA-N -1 0 321.760 3.595 20 0 DHADRM Cc1ccccc1[C@H](C)SCc1noc(CCCC(=O)[O-])n1 ZINC000832977152 602179454 /nfs/dbraw/zinc/17/94/54/602179454.db2.gz NZTGTJQSAFZFLH-LBPRGKRZSA-N -1 0 320.414 3.780 20 0 DHADRM O=C([O-])c1ccc(CSCc2cccc3nsnc32)cc1 ZINC000833317084 602180165 /nfs/dbraw/zinc/18/01/65/602180165.db2.gz OGVWIKJACIDKFJ-UHFFFAOYSA-N -1 0 316.407 3.823 20 0 DHADRM CC(C)COc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000562401080 602181759 /nfs/dbraw/zinc/18/17/59/602181759.db2.gz JLPIJJCNXPFDOA-UHFFFAOYSA-N -1 0 319.382 3.733 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191349416 602182154 /nfs/dbraw/zinc/18/21/54/602182154.db2.gz NDAGTICGIOTDIJ-NSHDSACASA-N -1 0 303.383 3.887 20 0 DHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191383943 602186479 /nfs/dbraw/zinc/18/64/79/602186479.db2.gz GQFNHKMSUCPNTM-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000191373706 602186803 /nfs/dbraw/zinc/18/68/03/602186803.db2.gz JOWZXTUUWAUDTI-SECBINFHSA-N -1 0 307.346 3.718 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000762141993 602189883 /nfs/dbraw/zinc/18/98/83/602189883.db2.gz NPFOQRFSSBSLHO-WEVVVXLNSA-N -1 0 305.330 3.627 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000740082346 602198194 /nfs/dbraw/zinc/19/81/94/602198194.db2.gz NQCSPPSIYFAXGT-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CC(C)CC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000826841186 602231859 /nfs/dbraw/zinc/23/18/59/602231859.db2.gz WNIQWGLMAMLIDE-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM CC(C)CC1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000826839739 602231892 /nfs/dbraw/zinc/23/18/92/602231892.db2.gz GTYUVHMKFTUMLF-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739214720 602242459 /nfs/dbraw/zinc/24/24/59/602242459.db2.gz PNTQGXSVSRIKKS-MRXNPFEDSA-N -1 0 324.380 3.859 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000740026749 602243841 /nfs/dbraw/zinc/24/38/41/602243841.db2.gz BGSVSBBOGQRWFS-UHFFFAOYSA-N -1 0 316.401 3.963 20 0 DHADRM CC(C)c1ccc(NC(=O)c2ccnn2C(C)C)c(C(=O)[O-])c1 ZINC000827124136 602246452 /nfs/dbraw/zinc/24/64/52/602246452.db2.gz JGQPMGNXYIZYER-UHFFFAOYSA-N -1 0 315.373 3.538 20 0 DHADRM COCCC1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCCC1 ZINC000831680364 602252362 /nfs/dbraw/zinc/25/23/62/602252362.db2.gz IPLRKWNVOYFQJN-ZDUSSCGKSA-N -1 0 320.385 3.586 20 0 DHADRM CCC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000739304271 602267952 /nfs/dbraw/zinc/26/79/52/602267952.db2.gz JHRIAXTUVDKSOY-GPANFISMSA-N -1 0 324.465 3.678 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739267360 602279869 /nfs/dbraw/zinc/27/98/69/602279869.db2.gz JYOBUBNZPUVPHC-CQSZACIVSA-N -1 0 317.389 3.524 20 0 DHADRM Cc1nn(CCCc2ccccc2C)c(C)c1[C@H](C)C(=O)[O-] ZINC000832980944 602288852 /nfs/dbraw/zinc/28/88/52/602288852.db2.gz QMOCHNPNJHKTNY-ZDUSSCGKSA-N -1 0 300.402 3.629 20 0 DHADRM CN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1CCc2ccccc21 ZINC000830500816 602289675 /nfs/dbraw/zinc/28/96/75/602289675.db2.gz WKLDSZKXUSUWST-ZDUSSCGKSA-N -1 0 316.382 3.598 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1 ZINC000736287422 602291951 /nfs/dbraw/zinc/29/19/51/602291951.db2.gz PWHGISSZHICYCW-UHFFFAOYSA-N -1 0 310.419 3.562 20 0 DHADRM CC(C)(NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736339787 602295547 /nfs/dbraw/zinc/29/55/47/602295547.db2.gz WJZXWXMSSRPXEG-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM CC(C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736338805 602295701 /nfs/dbraw/zinc/29/57/01/602295701.db2.gz DLTAFAGHWVMLMD-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1 ZINC000828221713 602311783 /nfs/dbraw/zinc/31/17/83/602311783.db2.gz WJKHUPAYCRFXBN-IIAWOOMASA-N -1 0 303.402 3.535 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000316939435 602312225 /nfs/dbraw/zinc/31/22/25/602312225.db2.gz VPDMFDQXBLESBF-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM CCC(CC)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000761899012 602314168 /nfs/dbraw/zinc/31/41/68/602314168.db2.gz UEQBNQJVHDNHFM-CQSZACIVSA-N -1 0 311.809 3.798 20 0 DHADRM Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])c1C ZINC000740168494 602329237 /nfs/dbraw/zinc/32/92/37/602329237.db2.gz CWCVDKBBPIGJQC-BPUTZDHNSA-N -1 0 316.401 3.553 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000739251082 602337447 /nfs/dbraw/zinc/33/74/47/602337447.db2.gz YCLXTDQZYTVFNS-LBPRGKRZSA-N -1 0 313.357 3.694 20 0 DHADRM CN(CC1CCN(C(=O)CCCC2CCCCC2)CC1)C(=O)[O-] ZINC000739651909 602369695 /nfs/dbraw/zinc/36/96/95/602369695.db2.gz LMEFJEOUYXHMQS-UHFFFAOYSA-N -1 0 324.465 3.585 20 0 DHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1-c1cccs1 ZINC000739327182 602370571 /nfs/dbraw/zinc/37/05/71/602370571.db2.gz YLWUELZYBOTBDM-CYBMUJFWSA-N -1 0 318.398 3.790 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000398463602 602371368 /nfs/dbraw/zinc/37/13/68/602371368.db2.gz KMFQKOUTFIFRTB-SNVBAGLBSA-N -1 0 314.316 3.680 20 0 DHADRM CC(C)CC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000826839955 602385128 /nfs/dbraw/zinc/38/51/28/602385128.db2.gz JXMQIQFENNEGHP-UHFFFAOYSA-N -1 0 322.380 3.814 20 0 DHADRM CC1CCC(C)(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000828207903 602386564 /nfs/dbraw/zinc/38/65/64/602386564.db2.gz URUBPOCMYAHOIW-UHFFFAOYSA-N -1 0 308.353 3.614 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832981213 602394161 /nfs/dbraw/zinc/39/41/61/602394161.db2.gz CJRJPCAWIGAUFE-UHFFFAOYSA-N -1 0 313.328 3.503 20 0 DHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cs2)c(Cl)c1 ZINC000832928274 602398317 /nfs/dbraw/zinc/39/83/17/602398317.db2.gz BSFWCAHGDVDXAW-UHFFFAOYSA-N -1 0 309.774 3.589 20 0 DHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000324165011 602399420 /nfs/dbraw/zinc/39/94/20/602399420.db2.gz DSLWQRBPKYWXEY-UHFFFAOYSA-N -1 0 323.392 3.823 20 0 DHADRM Cc1cc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(C)s1 ZINC000740048880 602409314 /nfs/dbraw/zinc/40/93/14/602409314.db2.gz POFYLJFMCUYRDE-LLVKDONJSA-N -1 0 309.391 3.770 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H]2CCc3ccccc32)n1 ZINC000738818323 602410938 /nfs/dbraw/zinc/41/09/38/602410938.db2.gz YETMFXIGTSZELP-UONOGXRCSA-N -1 0 315.373 3.503 20 0 DHADRM O=C([O-])NCCCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000739972970 602415621 /nfs/dbraw/zinc/41/56/21/602415621.db2.gz ROVXSKRUAMGGQA-UHFFFAOYSA-N -1 0 323.352 3.604 20 0 DHADRM O=C([O-])Nc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000740712926 602431889 /nfs/dbraw/zinc/43/18/89/602431889.db2.gz JLPIDNRQYCLGNV-UHFFFAOYSA-N -1 0 305.334 3.725 20 0 DHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000739574060 602456508 /nfs/dbraw/zinc/45/65/08/602456508.db2.gz NPNBVNWFCMIXRB-MRXNPFEDSA-N -1 0 318.417 3.567 20 0 DHADRM CC[C@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C(C)C ZINC000739248454 602471076 /nfs/dbraw/zinc/47/10/76/602471076.db2.gz GUMKUUOGSZQMPX-GFCCVEGCSA-N -1 0 304.390 3.738 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000740141238 602481242 /nfs/dbraw/zinc/48/12/42/602481242.db2.gz OLZGCIBLTAPGIY-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM CSc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740023233 602481347 /nfs/dbraw/zinc/48/13/47/602481347.db2.gz NADXPAVTLQJFPZ-UHFFFAOYSA-N -1 0 320.345 3.890 20 0 DHADRM CCC1CCC(N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739268497 602483990 /nfs/dbraw/zinc/48/39/90/602483990.db2.gz TUHZLNHQUVBNSS-UHFFFAOYSA-N -1 0 322.380 3.956 20 0 DHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000739380927 602484008 /nfs/dbraw/zinc/48/40/08/602484008.db2.gz QQJCSCMCLBIRSH-UHFFFAOYSA-N -1 0 320.295 3.721 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740113578 602484311 /nfs/dbraw/zinc/48/43/11/602484311.db2.gz NGOPVIGIPNBWAB-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM CN(CC1CCCCC1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739634633 602496661 /nfs/dbraw/zinc/49/66/61/602496661.db2.gz QLZKGEIEETZMPI-UHFFFAOYSA-N -1 0 308.353 3.568 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000740709844 602499252 /nfs/dbraw/zinc/49/92/52/602499252.db2.gz SPLGALAUXLXIRH-UHFFFAOYSA-N -1 0 304.733 3.611 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000740707309 602501664 /nfs/dbraw/zinc/50/16/64/602501664.db2.gz GVIWHRIYNDKHPB-GJZGRUSLSA-N -1 0 314.316 3.658 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2nccc3ccccc32)cc1 ZINC000167219806 602503880 /nfs/dbraw/zinc/50/38/80/602503880.db2.gz ZMKFFXCELHKRDU-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738260373 602504983 /nfs/dbraw/zinc/50/49/83/602504983.db2.gz PXWSGYKBLLLELB-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM Cc1ccncc1NC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000740197934 602505519 /nfs/dbraw/zinc/50/55/19/602505519.db2.gz XFVWJPMEMPVZAW-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM O=C(/C=C\c1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740350173 602506562 /nfs/dbraw/zinc/50/65/62/602506562.db2.gz RDYLHBANOLOBAO-FLIBITNWSA-N -1 0 322.364 3.769 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000740124818 602506805 /nfs/dbraw/zinc/50/68/05/602506805.db2.gz VTWJMUBVSGTJLF-UHFFFAOYSA-N -1 0 324.380 3.607 20 0 DHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(C)o1 ZINC000740059428 602506896 /nfs/dbraw/zinc/50/68/96/602506896.db2.gz SMMUJWVIFISJEO-UHFFFAOYSA-N -1 0 314.341 3.579 20 0 DHADRM CCN(CC)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739408813 602598325 /nfs/dbraw/zinc/59/83/25/602598325.db2.gz OSPOFYGYZXSCBP-UHFFFAOYSA-N -1 0 319.283 3.669 20 0 DHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739443962 602601945 /nfs/dbraw/zinc/60/19/45/602601945.db2.gz LUEBIGNUJNYJDM-UHFFFAOYSA-N -1 0 313.357 3.831 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000740711134 602602630 /nfs/dbraw/zinc/60/26/30/602602630.db2.gz UEAILUNTTDDZGC-UHFFFAOYSA-N -1 0 319.748 3.752 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739357586 602606842 /nfs/dbraw/zinc/60/68/42/602606842.db2.gz RJHKXOQQVKJIQO-UHFFFAOYSA-N -1 0 319.405 3.771 20 0 DHADRM O=C([O-])N1CCCc2cc(NC(=O)NC3CCCCC3)ccc21 ZINC000740464913 602607347 /nfs/dbraw/zinc/60/73/47/602607347.db2.gz LDNZMJRRBCSQLB-UHFFFAOYSA-N -1 0 317.389 3.571 20 0 DHADRM CCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)[C@H](C)C(C)C ZINC000739379265 602642432 /nfs/dbraw/zinc/64/24/32/602642432.db2.gz ALFHKWLMIUITAN-ZBFHGGJFSA-N -1 0 320.433 3.669 20 0 DHADRM CN(C)c1ccc([C@@H](CNC(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000739615261 602663465 /nfs/dbraw/zinc/66/34/65/602663465.db2.gz ZHJJHQUYJKXLTI-MRXNPFEDSA-N -1 0 323.396 3.633 20 0 DHADRM CSCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738146202 602713444 /nfs/dbraw/zinc/71/34/44/602713444.db2.gz HOFDXFCEJSTETO-UHFFFAOYSA-N -1 0 316.382 3.892 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1NC(=O)[O-] ZINC000830191509 602781797 /nfs/dbraw/zinc/78/17/97/602781797.db2.gz BRROHSJURIXGBK-AWEZNQCLSA-N -1 0 304.390 3.736 20 0 DHADRM COc1cc(NC(=O)[C@H](C)c2ccsc2)ccc1NC(=O)[O-] ZINC000739866548 602792052 /nfs/dbraw/zinc/79/20/52/602792052.db2.gz OOCPODDCIAELDG-SECBINFHSA-N -1 0 320.370 3.589 20 0 DHADRM CC(C)(CCC(=O)N1CCCCC[C@H]1c1ccco1)NC(=O)[O-] ZINC000738740734 602808391 /nfs/dbraw/zinc/80/83/91/602808391.db2.gz VMQAETDTKGEZQK-ZDUSSCGKSA-N -1 0 322.405 3.550 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736881335 602809636 /nfs/dbraw/zinc/80/96/36/602809636.db2.gz YLTHFSNOMPQTLN-WFASDCNBSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)s1 ZINC000738879074 602813101 /nfs/dbraw/zinc/81/31/01/602813101.db2.gz MHTBILUCLJMUNY-UHFFFAOYSA-N -1 0 319.386 3.538 20 0 DHADRM Cc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830205043 602817989 /nfs/dbraw/zinc/81/79/89/602817989.db2.gz LMRXPEKMXNBDSP-UHFFFAOYSA-N -1 0 310.353 3.504 20 0 DHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cccnc1 ZINC000739041725 602906719 /nfs/dbraw/zinc/90/67/19/602906719.db2.gz FYHJDOCUJULXOW-VIFPVBQESA-N -1 0 320.732 3.743 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)c2cccs2)n1 ZINC000738815552 602930231 /nfs/dbraw/zinc/93/02/31/602930231.db2.gz HHFNEYICSRWABO-ZJUUUORDSA-N -1 0 309.391 3.638 20 0 DHADRM CC(C)CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(C)(C)C ZINC000824231077 602946949 /nfs/dbraw/zinc/94/69/49/602946949.db2.gz CUTLDLGIVANPSZ-CQSZACIVSA-N -1 0 324.421 3.628 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737815881 602956577 /nfs/dbraw/zinc/95/65/77/602956577.db2.gz CZFUDAMSDMKVGZ-CQSZACIVSA-N -1 0 312.454 3.584 20 0 DHADRM Cc1ccc(C(=O)N2CCCC[C@H]2C(C)C)cc1NC(=O)[O-] ZINC000830193550 602958192 /nfs/dbraw/zinc/95/81/92/602958192.db2.gz WDBGTAWYNZNADI-HNNXBMFYSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1cccc2c(CC(=O)Oc3ccc(NC(=O)[O-])cc3)c[nH]c21 ZINC000738311078 602963614 /nfs/dbraw/zinc/96/36/14/602963614.db2.gz QBLIGFNUXJJFLG-UHFFFAOYSA-N -1 0 324.336 3.714 20 0 DHADRM Cc1ccc(SCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738295564 602968016 /nfs/dbraw/zinc/96/80/16/602968016.db2.gz QOSBBXFNDUFWQM-UHFFFAOYSA-N -1 0 317.366 3.783 20 0 DHADRM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000826669564 602983086 /nfs/dbraw/zinc/98/30/86/602983086.db2.gz XVDQGCMRQCHIHK-OCCSQVGLSA-N -1 0 304.390 3.784 20 0 DHADRM O=C([O-])NC1(c2noc(-c3coc4ccccc43)n2)CCCC1 ZINC000740549756 603004199 /nfs/dbraw/zinc/00/41/99/603004199.db2.gz ZYMYQPCXELFYLG-UHFFFAOYSA-N -1 0 313.313 3.520 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)/C=C/C2CCCCC2)c1 ZINC000739919979 603006542 /nfs/dbraw/zinc/00/65/42/603006542.db2.gz HKODRTPIPNEKDJ-JXMROGBWSA-N -1 0 318.373 3.860 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NCCOc2ccc(F)cc2)c1 ZINC000740703719 603020493 /nfs/dbraw/zinc/02/04/93/603020493.db2.gz QKCHTQRZQCGRAH-UHFFFAOYSA-N -1 0 308.284 3.546 20 0 DHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739095346 603037553 /nfs/dbraw/zinc/03/75/53/603037553.db2.gz BBJBNMBIGTXGTC-JOYOIKCWSA-N -1 0 309.341 3.616 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000827914244 603039592 /nfs/dbraw/zinc/03/95/92/603039592.db2.gz JGMNDLIPZUKDFE-UHFFFAOYSA-N -1 0 310.309 3.501 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(Cl)s2)cc1 ZINC000827914212 603040761 /nfs/dbraw/zinc/04/07/61/603040761.db2.gz HZIXCTVSHZQISJ-UHFFFAOYSA-N -1 0 311.746 3.735 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc(F)c2Cl)cc1 ZINC000827914445 603041469 /nfs/dbraw/zinc/04/14/69/603041469.db2.gz UHQRLVASRZKVHE-UHFFFAOYSA-N -1 0 323.707 3.813 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc(Cl)c2)cc1 ZINC000827914316 603050170 /nfs/dbraw/zinc/05/01/70/603050170.db2.gz NLQHNQHAXFOASS-UHFFFAOYSA-N -1 0 305.717 3.673 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000740713822 603054407 /nfs/dbraw/zinc/05/44/07/603054407.db2.gz ASFIKQHNHXINLF-LLVKDONJSA-N -1 0 314.366 3.605 20 0 DHADRM CCN(Cc1cccc(NC(=O)N2CCCCCC2)c1)C(=O)[O-] ZINC000739442401 603143038 /nfs/dbraw/zinc/14/30/38/603143038.db2.gz LCSNMOJDUUKGPP-UHFFFAOYSA-N -1 0 319.405 3.594 20 0 DHADRM CC(C)c1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738878013 603149355 /nfs/dbraw/zinc/14/93/55/603149355.db2.gz UEJBZMPCYIHANH-STQMWFEESA-N -1 0 304.390 3.575 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(Cl)c1 ZINC000740064828 603151816 /nfs/dbraw/zinc/15/18/16/603151816.db2.gz BFDDMVAMQXEZEW-NEPJUHHUSA-N -1 0 324.808 3.722 20 0 DHADRM COc1ccc(COc2ccc(N(C)C(=O)[O-])cc2)cc1F ZINC000829395768 603160536 /nfs/dbraw/zinc/16/05/36/603160536.db2.gz BRVLGWBJZOFFPI-UHFFFAOYSA-N -1 0 305.305 3.528 20 0 DHADRM COc1ccc(NC(=O)N2CCCCC[C@H]2C)cc1NC(=O)[O-] ZINC000739920341 603164932 /nfs/dbraw/zinc/16/49/32/603164932.db2.gz QWLJHXCQICBEGP-LLVKDONJSA-N -1 0 321.377 3.582 20 0 DHADRM CCN(C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000739377701 603166004 /nfs/dbraw/zinc/16/60/04/603166004.db2.gz LRPMIUVPVDYQJF-WCQYABFASA-N -1 0 324.808 3.519 20 0 DHADRM CC1CCC(=CC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000739093007 603173375 /nfs/dbraw/zinc/17/33/75/603173375.db2.gz VIACZXRRGIXMRA-UHFFFAOYSA-N -1 0 314.385 3.802 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000825449633 603173534 /nfs/dbraw/zinc/17/35/34/603173534.db2.gz VOCNLSNVJHSELB-LLVKDONJSA-N -1 0 323.352 3.749 20 0 DHADRM COc1ccc(NC(=O)C=C2CCC(C)CC2)cc1NC(=O)[O-] ZINC000739919543 603174280 /nfs/dbraw/zinc/17/42/80/603174280.db2.gz LQDZBEFSSGCTSE-UHFFFAOYSA-N -1 0 318.373 3.860 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CC2=CCCCC2)cc1 ZINC000825414575 603176581 /nfs/dbraw/zinc/17/65/81/603176581.db2.gz AENROJCVRXFLEA-LBPRGKRZSA-N -1 0 302.374 3.844 20 0 DHADRM CSc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000829760742 603178166 /nfs/dbraw/zinc/17/81/66/603178166.db2.gz PSQZEBIXJHRPMA-SECBINFHSA-N -1 0 320.370 3.582 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3c2CCC3)cc1 ZINC000825448042 603181223 /nfs/dbraw/zinc/18/12/23/603181223.db2.gz AMHHYGRYZPANSR-GFCCVEGCSA-N -1 0 324.380 3.756 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc(F)c2F)cc1 ZINC000825449311 603187167 /nfs/dbraw/zinc/18/71/67/603187167.db2.gz NZQBWONKFCXPHJ-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM C/C(=C/C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823527099 603192468 /nfs/dbraw/zinc/19/24/68/603192468.db2.gz GMHIMRJLVYWBLD-NLYDNYMLSA-N -1 0 304.390 3.946 20 0 DHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739594579 603205215 /nfs/dbraw/zinc/20/52/15/603205215.db2.gz WQMQOINJIAZRDB-UHFFFAOYSA-N -1 0 304.733 3.707 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(Nc2ncnc3sccc32)cc1 ZINC000825452998 603206323 /nfs/dbraw/zinc/20/63/23/603206323.db2.gz GYMNGKBVPLXCCM-SECBINFHSA-N -1 0 314.370 3.764 20 0 DHADRM Cc1ccc(C(=O)NC2CCCCCCC2)cc1NC(=O)[O-] ZINC000830205881 603218481 /nfs/dbraw/zinc/21/84/81/603218481.db2.gz VBIFWXDVJMKPSV-UHFFFAOYSA-N -1 0 304.390 3.928 20 0 DHADRM Cc1ccccc1CN(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830574182 603227811 /nfs/dbraw/zinc/22/78/11/603227811.db2.gz ZRYHWGSYCXRIOJ-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM Cc1ccsc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740195891 603232033 /nfs/dbraw/zinc/23/20/33/603232033.db2.gz BSLSKNNNBIOJKL-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C)(C)C ZINC000738938280 603250019 /nfs/dbraw/zinc/25/00/19/603250019.db2.gz BQXVADUZPDRFMG-SECBINFHSA-N -1 0 312.797 3.842 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830181443 603258101 /nfs/dbraw/zinc/25/81/01/603258101.db2.gz APDYJNPXCGLFMH-ZDUSSCGKSA-N -1 0 312.369 3.918 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2Cl)o1 ZINC000740121915 603264069 /nfs/dbraw/zinc/26/40/69/603264069.db2.gz MHTFBWATLJNPRB-UHFFFAOYSA-N -1 0 322.748 3.604 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1NC(=O)[O-] ZINC000830181970 603282809 /nfs/dbraw/zinc/28/28/09/603282809.db2.gz LBTKYRQBXMMMAZ-QGZVFWFLSA-N -1 0 324.380 3.844 20 0 DHADRM O=C([O-])N1CCCN(C(=O)CCC2CCCC2)c2ccccc21 ZINC000740516674 603300859 /nfs/dbraw/zinc/30/08/59/603300859.db2.gz PMEYOMVYMPJFQP-UHFFFAOYSA-N -1 0 316.401 3.878 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(SC2CCCC2)cc1)NC(=O)[O-] ZINC000824693998 603309449 /nfs/dbraw/zinc/30/94/49/603309449.db2.gz DTOMKIONVBQVKP-LLVKDONJSA-N -1 0 322.430 3.706 20 0 DHADRM CCC(CC)CN(CC)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826572658 603329537 /nfs/dbraw/zinc/32/95/37/603329537.db2.gz ZABQHPMHRBSWRL-UHFFFAOYSA-N -1 0 306.406 3.983 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739354927 603335666 /nfs/dbraw/zinc/33/56/66/603335666.db2.gz VDHSRYNDLABYMW-UHFFFAOYSA-N -1 0 321.421 3.696 20 0 DHADRM CC[C@H]1CCCN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739264678 603349020 /nfs/dbraw/zinc/34/90/20/603349020.db2.gz IDQALKXORIPCBF-AWEZNQCLSA-N -1 0 319.405 3.593 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000825784273 603372897 /nfs/dbraw/zinc/37/28/97/603372897.db2.gz WVCUORZKNPHDGR-XQQFMLRXSA-N -1 0 319.405 3.525 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000825784271 603373296 /nfs/dbraw/zinc/37/32/96/603373296.db2.gz WVCUORZKNPHDGR-JHJVBQTASA-N -1 0 319.405 3.525 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000825427858 603382395 /nfs/dbraw/zinc/38/23/95/603382395.db2.gz ZKCOIAZOTMHSOE-GFCCVEGCSA-N -1 0 319.405 3.860 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739328608 603401069 /nfs/dbraw/zinc/40/10/69/603401069.db2.gz DRAQBFNTHZQSJN-CQSZACIVSA-N -1 0 324.465 3.726 20 0 DHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000832333094 603408376 /nfs/dbraw/zinc/40/83/76/603408376.db2.gz QILSKEDWSFMOOB-PWSUYJOCSA-N -1 0 321.764 3.684 20 0 DHADRM Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C)cc1NC(=O)[O-] ZINC000830217277 603408771 /nfs/dbraw/zinc/40/87/71/603408771.db2.gz VHCJMXKLMRSMGH-BXUZGUMPSA-N -1 0 304.390 3.641 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739297614 603430653 /nfs/dbraw/zinc/43/06/53/603430653.db2.gz BQGKYFHVPKRSQI-CYBMUJFWSA-N -1 0 304.390 3.734 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738808680 603431551 /nfs/dbraw/zinc/43/15/51/603431551.db2.gz XTJHDOYSOAWRNI-AWEZNQCLSA-N -1 0 318.417 3.980 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccc3ccncc32)cc1 ZINC000832838541 603444843 /nfs/dbraw/zinc/44/48/43/603444843.db2.gz JSMAUTGSFLSOIA-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM CC(C)(C(=O)Oc1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000737571738 603474470 /nfs/dbraw/zinc/47/44/70/603474470.db2.gz OOJWQAMBVKWEOK-UHFFFAOYSA-N -1 0 305.355 3.721 20 0 DHADRM Cc1nc(CNc2ccc3c(c2)CCCN3C(=O)[O-])sc1C ZINC000830756889 603495360 /nfs/dbraw/zinc/49/53/60/603495360.db2.gz JHXAZGUXFMCYLX-UHFFFAOYSA-N -1 0 317.414 3.803 20 0 DHADRM Cc1cccc2c1N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)CC2 ZINC000830199006 603531651 /nfs/dbraw/zinc/53/16/51/603531651.db2.gz RMDJAHBZCLFNED-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM CC(C)Oc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824417639 603537324 /nfs/dbraw/zinc/53/73/24/603537324.db2.gz AHGLWFCEMSPWPE-UHFFFAOYSA-N -1 0 301.346 3.571 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826658858 603605400 /nfs/dbraw/zinc/60/54/00/603605400.db2.gz BGVFMEMYHUCEQL-LALPHHSUSA-N -1 0 319.405 3.668 20 0 DHADRM CO[C@H](C)c1nc(COc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000828835538 603620287 /nfs/dbraw/zinc/62/02/87/603620287.db2.gz DMHRFWAOYNOJKL-SNVBAGLBSA-N -1 0 322.386 3.544 20 0 DHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739090768 603768535 /nfs/dbraw/zinc/76/85/35/603768535.db2.gz IZWSYCZCICGELO-AOOOYVTPSA-N -1 0 310.781 3.833 20 0 DHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000737689729 603781113 /nfs/dbraw/zinc/78/11/13/603781113.db2.gz SYPKRWSVEGDVII-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM C[C@H](N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1(C)CC1 ZINC000825056171 603783274 /nfs/dbraw/zinc/78/32/74/603783274.db2.gz PGIFWBAQCOKYHQ-VIFPVBQESA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1coc2ccccc12 ZINC000831797679 603942631 /nfs/dbraw/zinc/94/26/31/603942631.db2.gz PFOSOYMFJAIEFG-UHFFFAOYSA-N -1 0 322.320 3.726 20 0 DHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccccc1Cl)C2 ZINC000831308506 603968696 /nfs/dbraw/zinc/96/86/96/603968696.db2.gz UDBZBYIWFRFMKP-YOGCLGLASA-N -1 0 322.792 3.590 20 0 DHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1Cl ZINC000825602748 604013346 /nfs/dbraw/zinc/01/33/46/604013346.db2.gz MSSJVACXTBACIC-VIFPVBQESA-N -1 0 323.732 3.619 20 0 DHADRM Cc1cccc(C)c1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830489054 604022332 /nfs/dbraw/zinc/02/23/32/604022332.db2.gz NVVGEIWTFDTBBG-GOOCMWNKSA-N -1 0 316.401 3.553 20 0 DHADRM 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/nfs/dbraw/zinc/86/88/92/950868892.db2.gz IVAXJNDUVRKMIB-ZDUSSCGKSA-N -1 0 306.406 3.508 20 0 DHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000316451828 950882103 /nfs/dbraw/zinc/88/21/03/950882103.db2.gz JWXNCAYYPKFJQD-GFCCVEGCSA-N -1 0 321.373 3.510 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc3ccccc23)C1 ZINC000316928616 950894196 /nfs/dbraw/zinc/89/41/96/950894196.db2.gz WIRXSHPYPHZHMP-KRWDZBQOSA-N -1 0 317.410 3.618 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C1(CC(=O)[O-])CCC1 ZINC001602854363 971703450 /nfs/dbraw/zinc/70/34/50/971703450.db2.gz FQKCHLDXTHTEAR-UONOGXRCSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-] ZINC001602861462 971721598 /nfs/dbraw/zinc/72/15/98/971721598.db2.gz XUVXKBPDUFCDAE-GFCCVEGCSA-N -1 0 317.495 3.694 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCc2c(Cl)cc(Cl)cc21 ZINC001595025503 951346546 /nfs/dbraw/zinc/34/65/46/951346546.db2.gz WIVUUDBURFVTRG-UHFFFAOYSA-N -1 0 316.184 3.528 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001595034623 951390356 /nfs/dbraw/zinc/39/03/56/951390356.db2.gz FKZHZZYLMXQPID-UHFFFAOYSA-N -1 0 322.361 3.533 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000394836127 951457945 /nfs/dbraw/zinc/45/79/45/951457945.db2.gz BBPBVKXRVYYOBS-QMMMGPOBSA-N -1 0 323.801 3.632 20 0 DHADRM O=C([O-])CCSCCCc1ccccc1Br ZINC001595064006 951532026 /nfs/dbraw/zinc/53/20/26/951532026.db2.gz QAAZHLXESJTCBJ-UHFFFAOYSA-N -1 0 303.221 3.590 20 0 DHADRM O=C([O-])CCc1cccc(NCC2=Cc3ccccc3OC2)c1 ZINC001595066286 951549232 /nfs/dbraw/zinc/54/92/32/951549232.db2.gz GXZGIMLLVJELQW-UHFFFAOYSA-N -1 0 309.365 3.592 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCC=CCCC2)c1 ZINC001595131717 952035345 /nfs/dbraw/zinc/03/53/45/952035345.db2.gz GORRBRZSRFSMFB-AWEZNQCLSA-N -1 0 316.401 3.572 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccnc(Cl)c2Cl)c1 ZINC001595138091 952066218 /nfs/dbraw/zinc/06/62/18/952066218.db2.gz JNGKVOUWOYBWKZ-UHFFFAOYSA-N -1 0 311.168 3.628 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C)c(F)c1 ZINC001593609243 953447275 /nfs/dbraw/zinc/44/72/75/953447275.db2.gz YHCOFHBEUFVYDO-OAHLLOKOSA-N -1 0 317.316 3.535 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NCC[C@H]1CCc2ccccc21 ZINC001594753893 953457247 /nfs/dbraw/zinc/45/72/47/953457247.db2.gz AYEAOXGNAMTHJJ-CQSZACIVSA-N -1 0 324.380 3.626 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001589284250 953541552 /nfs/dbraw/zinc/54/15/52/953541552.db2.gz CXUXDVSCJCHXLX-QLFBSQMISA-N -1 0 324.465 3.630 20 0 DHADRM C[C@H]1C[C@H](CCNC(=O)C2(CC(=O)[O-])CCC2)CC(C)(C)C1 ZINC001589286385 953577010 /nfs/dbraw/zinc/57/70/10/953577010.db2.gz UYUHAFFPDYSMCQ-KBPBESRZSA-N -1 0 309.450 3.600 20 0 DHADRM CCc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001593639102 953633032 /nfs/dbraw/zinc/63/30/32/953633032.db2.gz SFUFTLXHHDBTRQ-AWEZNQCLSA-N -1 0 306.406 3.650 20 0 DHADRM O=C([O-])CC1(C(=O)Nc2cccc(OC3CCCC3)c2)CCC1 ZINC000577373391 953694104 /nfs/dbraw/zinc/69/41/04/953694104.db2.gz IUGAXHSHUKPBHM-UHFFFAOYSA-N -1 0 317.385 3.592 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC001589304051 953722067 /nfs/dbraw/zinc/72/20/67/953722067.db2.gz LLGWRUWPBADLBI-DOMZBBRYSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC001589315098 953827439 /nfs/dbraw/zinc/82/74/39/953827439.db2.gz WOXKBCQFISCRPW-CHWSQXEVSA-N -1 0 316.401 3.675 20 0 DHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001589319341 953843517 /nfs/dbraw/zinc/84/35/17/953843517.db2.gz IHTUHUOHAJGXEZ-IHRRRGAJSA-N -1 0 318.417 3.650 20 0 DHADRM O=C([O-])CCCCC(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000630229196 953848363 /nfs/dbraw/zinc/84/83/63/953848363.db2.gz UJNUIVGCOQFKAT-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)[C@@H]1C[C@H](NC(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000630268412 953849410 /nfs/dbraw/zinc/84/94/10/953849410.db2.gz UKWAGKAVDYKTTK-HOTGVXAUSA-N -1 0 303.402 3.632 20 0 DHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589319933 953849987 /nfs/dbraw/zinc/84/99/87/953849987.db2.gz RYYASRDFMJIJGQ-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000635018627 953871570 /nfs/dbraw/zinc/87/15/70/953871570.db2.gz OZVOFLDYQUXPFI-SCZZXKLOSA-N -1 0 320.191 3.675 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1coc(C2CCCCC2)n1 ZINC001594821746 953906235 /nfs/dbraw/zinc/90/62/35/953906235.db2.gz FMFPSXNRZCMYSQ-UHFFFAOYSA-N -1 0 320.370 3.734 20 0 DHADRM CN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001593680560 953947177 /nfs/dbraw/zinc/94/71/77/953947177.db2.gz IUDCGDICSYKABZ-MRXNPFEDSA-N -1 0 310.353 3.536 20 0 DHADRM C[C@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCc2ccccc21 ZINC000647732427 953970952 /nfs/dbraw/zinc/97/09/52/953970952.db2.gz HGZKKGCQTOWKSM-FQEVSTJZSA-N -1 0 323.392 3.546 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000647732571 953971165 /nfs/dbraw/zinc/97/11/65/953971165.db2.gz MWCSJVOHHHIVRB-DZGCQCFKSA-N -1 0 303.402 3.715 20 0 DHADRM CC[C@H](CNC(=O)c1sccc1-c1ccc(C)cc1)C(=O)[O-] ZINC000649260283 953989789 /nfs/dbraw/zinc/98/97/89/953989789.db2.gz DKTOFQZMRIFUSP-GFCCVEGCSA-N -1 0 317.410 3.564 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C/C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1(C)C ZINC001589338103 954011361 /nfs/dbraw/zinc/01/13/61/954011361.db2.gz PJHNLQNJJOBPKN-LOGHEUAUSA-N -1 0 321.461 3.574 20 0 DHADRM O=C([O-])[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C1CC1 ZINC001594843499 954104905 /nfs/dbraw/zinc/10/49/05/954104905.db2.gz MGWZPVVWXIOHAK-JTQLQIEISA-N -1 0 324.452 3.619 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653329015 954158600 /nfs/dbraw/zinc/15/86/00/954158600.db2.gz QFLOEINVJZVJLQ-IRXDYDNUSA-N -1 0 323.392 3.655 20 0 DHADRM CCCCN(Cc1ccccc1F)C(=O)CCCCC(=O)[O-] ZINC000655549337 954198283 /nfs/dbraw/zinc/19/82/83/954198283.db2.gz UGHRSWYWRBQNKX-UHFFFAOYSA-N -1 0 309.381 3.599 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000655549688 954199874 /nfs/dbraw/zinc/19/98/74/954199874.db2.gz ZUHVDMVHZLPPED-HNNXBMFYSA-N -1 0 307.365 3.524 20 0 DHADRM C[C@H](NC(=O)C1(C)CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576164 954214005 /nfs/dbraw/zinc/21/40/05/954214005.db2.gz PXPGPXUWDVXUID-MELADBBJSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)c1cccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000659142202 954310809 /nfs/dbraw/zinc/31/08/09/954310809.db2.gz CMMUBTSFYQBIHI-GOSISDBHSA-N -1 0 323.392 3.634 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC(C)(C)C1 ZINC001589387136 954311516 /nfs/dbraw/zinc/31/15/16/954311516.db2.gz KRPXSQRMRLBFOG-ZDUSSCGKSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])C1(C(=O)Nc2c[nH]c3ccccc23)CCCCCC1 ZINC001594869556 954338537 /nfs/dbraw/zinc/33/85/37/954338537.db2.gz ZDEZOUNSIXWKAK-UHFFFAOYSA-N -1 0 300.358 3.532 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC000659762921 954363125 /nfs/dbraw/zinc/36/31/25/954363125.db2.gz AWWWDKHNTOGLCB-GUYCJALGSA-N -1 0 315.413 3.527 20 0 DHADRM CC1(C)CC[C@H]1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659763714 954364917 /nfs/dbraw/zinc/36/49/17/954364917.db2.gz GGLGHGPKVKTGDD-INIZCTEOSA-N -1 0 315.413 3.527 20 0 DHADRM O=C([O-])[C@@]1(C(=O)Oc2cccc(Cl)c2Cl)CC=CCC1 ZINC001594878283 954395766 /nfs/dbraw/zinc/39/57/66/954395766.db2.gz HLNBOMFEWANEIB-CQSZACIVSA-N -1 0 315.152 3.710 20 0 DHADRM Cc1ccccc1-c1cnc(CN(CC(=O)[O-])CC(C)(C)C)o1 ZINC000662227121 954397539 /nfs/dbraw/zinc/39/75/39/954397539.db2.gz XCKRDLJJKXBZPT-UHFFFAOYSA-N -1 0 316.401 3.583 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663051859 954424381 /nfs/dbraw/zinc/42/43/81/954424381.db2.gz GDZJYGNKYXVDNL-FZMZJTMJSA-N -1 0 317.385 3.665 20 0 DHADRM O=C([O-])C1(c2noc([C@@H]3C[C@H]3c3ccc(Cl)s3)n2)CCC1 ZINC001594886467 954468976 /nfs/dbraw/zinc/46/89/76/954468976.db2.gz XQQIIJMCJOIRBF-HTQZYQBOSA-N -1 0 324.789 3.562 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCCCC3)cc2)CCC1 ZINC000663101318 954486175 /nfs/dbraw/zinc/48/61/75/954486175.db2.gz NODAFQPYSDNDSS-UHFFFAOYSA-N -1 0 317.385 3.592 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)c2ccccc21 ZINC000663118906 954513451 /nfs/dbraw/zinc/51/34/51/954513451.db2.gz HQLOQQYASGNBLL-QZTJIDSGSA-N -1 0 321.376 3.607 20 0 DHADRM C[C@@H]1Cc2ccccc2N(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001589412246 954526127 /nfs/dbraw/zinc/52/61/27/954526127.db2.gz DTVDVKCLUGLTHA-CQSZACIVSA-N -1 0 315.413 3.637 20 0 DHADRM CC(C)Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000679101780 954592649 /nfs/dbraw/zinc/59/26/49/954592649.db2.gz ZUCJSQOSOHSUMJ-INIZCTEOSA-N -1 0 317.429 3.602 20 0 DHADRM CCCCCc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000679538597 954595466 /nfs/dbraw/zinc/59/54/66/954595466.db2.gz IRLWXAKNYQXOGV-HNNXBMFYSA-N -1 0 304.390 3.500 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)cs2)c2ccccc21 ZINC001594925775 954816484 /nfs/dbraw/zinc/81/64/84/954816484.db2.gz SHIVCWCXLFPLDP-NSHDSACASA-N -1 0 321.785 3.620 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001589464407 954887777 /nfs/dbraw/zinc/88/77/77/954887777.db2.gz PLZMAUVILFEGOK-UGSOOPFHSA-N -1 0 317.385 3.614 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1c(Cl)cccc1Cl ZINC001589473853 954940557 /nfs/dbraw/zinc/94/05/57/954940557.db2.gz IGXISMIJNUQIAF-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CCC(CC)(CNC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC001589481537 954980194 /nfs/dbraw/zinc/98/01/94/954980194.db2.gz HBUNYDWCTWSCAE-HNNXBMFYSA-N -1 0 323.408 3.573 20 0 DHADRM CCC(CC)(CNC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001589487440 954992674 /nfs/dbraw/zinc/99/26/74/954992674.db2.gz AJDXXNAWTQPSGP-UHFFFAOYSA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@@H](CN(CC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589514426 955058364 /nfs/dbraw/zinc/05/83/64/955058364.db2.gz ITNJVUPGUYWNRW-BHYGNILZSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001603021516 972080695 /nfs/dbraw/zinc/08/06/95/972080695.db2.gz LCSYSVOUERWZKC-OLZOCXBDSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCC(=O)[O-])CCC2 ZINC000753967968 955262829 /nfs/dbraw/zinc/26/28/29/955262829.db2.gz NGPHCAPDMWROSV-MRXNPFEDSA-N -1 0 303.402 3.559 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001589002081 955336903 /nfs/dbraw/zinc/33/69/03/955336903.db2.gz JWVFDJWGDOGBEV-VIFPVBQESA-N -1 0 323.801 3.662 20 0 DHADRM Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594504779 955351946 /nfs/dbraw/zinc/35/19/46/955351946.db2.gz REDBWAPSONVKNS-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589013969 955413573 /nfs/dbraw/zinc/41/35/73/955413573.db2.gz GAAPEPIFPJEFFQ-BBRMVZONSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589014255 955418043 /nfs/dbraw/zinc/41/80/43/955418043.db2.gz NDSGAOJMCBIEEV-ZBFHGGJFSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)C[C@H](CNC(=O)/C=C\Sc1ccccc1)CC(=O)[O-] ZINC001603042257 972105203 /nfs/dbraw/zinc/10/52/03/972105203.db2.gz NJKPGUIQHOBAQK-CKXPSTMWSA-N -1 0 321.442 3.546 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCC(=O)[O-] ZINC000844244306 955657840 /nfs/dbraw/zinc/65/78/40/955657840.db2.gz PHUWEIDPRGRQBY-RYUDHWBXSA-N -1 0 311.809 3.545 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000387380178 972121203 /nfs/dbraw/zinc/12/12/03/972121203.db2.gz UOPMSUDQTCAISA-UHFFFAOYSA-N -1 0 307.390 3.612 20 0 DHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(C2CC2)c1 ZINC001589088420 955918393 /nfs/dbraw/zinc/91/83/93/955918393.db2.gz UWPXJKUBZNFPJI-YVEFUNNKSA-N -1 0 315.413 3.632 20 0 DHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000864119353 955947297 /nfs/dbraw/zinc/94/72/97/955947297.db2.gz AUTMWOHUJAKPBA-LJQANCHMSA-N -1 0 319.445 3.653 20 0 DHADRM C[C@](NC(=O)/C=C/C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589094359 955969368 /nfs/dbraw/zinc/96/93/68/955969368.db2.gz OPRJXKRZQHNYKB-JKIKYLSZSA-N -1 0 315.413 3.629 20 0 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3.531 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001325684137 957311701 /nfs/dbraw/zinc/31/17/01/957311701.db2.gz ALMBZAHSLJDOHL-SKDRFNHKSA-N -1 0 324.808 3.531 20 0 DHADRM CN(Cc1ccc(Cl)cc1)c1ncc(C(=O)[O-])cc1Cl ZINC000048880685 957468639 /nfs/dbraw/zinc/46/86/39/957468639.db2.gz BRAULZUUPBVQNB-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1C ZINC000062469504 957603221 /nfs/dbraw/zinc/60/32/21/957603221.db2.gz JZWZEWJVDOPSBS-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)oc2ccccc23)C1 ZINC001574753079 957725844 /nfs/dbraw/zinc/72/58/44/957725844.db2.gz RVGCZTRRLMTATH-CYBMUJFWSA-N -1 0 323.348 3.523 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c1 ZINC001594282205 957757903 /nfs/dbraw/zinc/75/79/03/957757903.db2.gz OPISRYXQVVCOLD-GXTWGEPZSA-N -1 0 315.413 3.592 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](C3CCCC3)C2)c1 ZINC001594284277 957763492 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O=C([O-])c1ccccc1CNC(=O)c1c(Cl)cccc1Cl ZINC001574815292 957886106 /nfs/dbraw/zinc/88/61/06/957886106.db2.gz OXBDVJVSPQZKCO-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC001574822245 957919876 /nfs/dbraw/zinc/91/98/76/957919876.db2.gz QSBOFBSVZITILG-SJORKVTESA-N -1 0 310.349 3.508 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)OC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001594310586 958011263 /nfs/dbraw/zinc/01/12/63/958011263.db2.gz XKTQYLQRJSKHPL-NHYWBVRUSA-N -1 0 308.349 3.629 20 0 DHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)ccc1-c1ccccc1 ZINC001594314926 958059374 /nfs/dbraw/zinc/05/93/74/958059374.db2.gz QWABZTOZEHIKMT-QGZVFWFLSA-N -1 0 309.365 3.711 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC001594316394 958066212 /nfs/dbraw/zinc/06/62/12/958066212.db2.gz RLIFRABRVKESDH-JCURWCKSSA-N -1 0 309.365 3.681 20 0 DHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(C)c1Cl ZINC001594317739 958088384 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Cc1cscc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000094246373 958284502 /nfs/dbraw/zinc/28/45/02/958284502.db2.gz OKOZQYJIMGUZNG-UHFFFAOYSA-N -1 0 307.396 3.557 20 0 DHADRM Cc1ccc(C2(NC(=O)c3ccc(C(=O)[O-])cc3)CCC2)cc1 ZINC001594353703 958388313 /nfs/dbraw/zinc/38/83/13/958388313.db2.gz UPJVURIHNQYGLH-UHFFFAOYSA-N -1 0 309.365 3.502 20 0 DHADRM COc1ccc(NCc2ccc(C(=O)[O-])s2)c2ncccc12 ZINC001594105961 958468326 /nfs/dbraw/zinc/46/83/26/958468326.db2.gz RYPPTNJGEVZCAZ-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594363388 958473736 /nfs/dbraw/zinc/47/37/36/958473736.db2.gz UNEDMBPMJGEMPW-VURMDHGXSA-N -1 0 319.744 3.616 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000124996784 958548814 /nfs/dbraw/zinc/54/88/14/958548814.db2.gz OKYDUVHGHZQWOC-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1C ZINC001588479758 958579107 /nfs/dbraw/zinc/57/91/07/958579107.db2.gz DORRNWVLRPQHNP-NTCAYCPXSA-N -1 0 315.413 3.692 20 0 DHADRM C/C(=C\C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1cccs1 ZINC001588480565 958588523 /nfs/dbraw/zinc/58/85/23/958588523.db2.gz RCBKQRBUODMVEI-HCRIHEDKSA-N -1 0 309.431 3.547 20 0 DHADRM CCC(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128161097 958638152 /nfs/dbraw/zinc/63/81/52/958638152.db2.gz BQOIEYWEPDKAHD-UHFFFAOYSA-N -1 0 314.179 3.522 20 0 DHADRM Cc1ccc2sc(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2c1 ZINC001594385782 958663753 /nfs/dbraw/zinc/66/37/53/958663753.db2.gz IHALVZRVEULXDQ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N([C@H](C)C(=O)[O-])C3CC3)c2)c1 ZINC001594386000 958668433 /nfs/dbraw/zinc/66/84/33/958668433.db2.gz MFCYWVDKFBCCCC-CQSZACIVSA-N -1 0 323.392 3.740 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001594388486 958695321 /nfs/dbraw/zinc/69/53/21/958695321.db2.gz XONBNUTTZICLML-JTQLQIEISA-N -1 0 319.307 3.714 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573424490 958786230 /nfs/dbraw/zinc/78/62/30/958786230.db2.gz LKVQCCQXDTTXKN-OAHLLOKOSA-N -1 0 309.381 3.674 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594403522 958869893 /nfs/dbraw/zinc/86/98/93/958869893.db2.gz GQEOUSWHBYBRPO-AATRIKPKSA-N -1 0 320.728 3.696 20 0 DHADRM CN(Cc1coc(-c2ccccc2)n1)C1(C(=O)[O-])CCCCC1 ZINC000391874208 972385912 /nfs/dbraw/zinc/38/59/12/972385912.db2.gz KXVRZGYNGXSLTE-UHFFFAOYSA-N -1 0 314.385 3.561 20 0 DHADRM Cc1cccc([C@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001594409398 958934564 /nfs/dbraw/zinc/93/45/64/958934564.db2.gz BFRNFFSNJARFCB-UPZNUWHASA-N -1 0 300.310 3.604 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ncccc1C(=O)[O-] ZINC001594410976 958947844 /nfs/dbraw/zinc/94/78/44/958947844.db2.gz HADRNUCKOQNZMN-OLZOCXBDSA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001573517250 959110852 /nfs/dbraw/zinc/11/08/52/959110852.db2.gz YUPCDCQDIRKOOA-RRFJBIMHSA-N -1 0 323.820 3.654 20 0 DHADRM Cc1coc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc12 ZINC001594435855 959231012 /nfs/dbraw/zinc/23/10/12/959231012.db2.gz PEBVKWSKLKYBCE-UHFFFAOYSA-N -1 0 301.342 3.715 20 0 DHADRM CC(C)Sc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573552683 959238026 /nfs/dbraw/zinc/23/80/26/959238026.db2.gz BQNWYWBJSZQZJV-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)c2c1 ZINC001573566251 959289089 /nfs/dbraw/zinc/28/90/89/959289089.db2.gz GKBYMMKWOSHLDE-NSHDSACASA-N -1 0 315.369 3.634 20 0 DHADRM C[C@H](C(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC001588600083 959413865 /nfs/dbraw/zinc/41/38/65/959413865.db2.gz PCMBIQNSIBWUFH-LBPRGKRZSA-N -1 0 324.336 3.504 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3s2)c2ccccc21 ZINC000177475773 959422261 /nfs/dbraw/zinc/42/22/61/959422261.db2.gz WMFSTANVDOVGFS-CYBMUJFWSA-N -1 0 323.373 3.730 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001573610314 959475314 /nfs/dbraw/zinc/47/53/14/959475314.db2.gz FYSITTYLPPBVOO-WAYWQWQTSA-N -1 0 321.279 3.741 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001594233302 959489446 /nfs/dbraw/zinc/48/94/46/959489446.db2.gz JQBDVQPPPBDKTO-LLVKDONJSA-N -1 0 305.374 3.635 20 0 DHADRM C[C@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1c(F)cccc1F ZINC001594244201 959553645 /nfs/dbraw/zinc/55/36/45/959553645.db2.gz FWTSNLXZKGYWPI-UDIARPCQSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1c(F)cccc1F ZINC001594244200 959553964 /nfs/dbraw/zinc/55/39/64/959553964.db2.gz FWTSNLXZKGYWPI-CYNONHLPSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CC2CCCCC2)cc1)C(=O)[O-] ZINC000191407479 959560908 /nfs/dbraw/zinc/56/09/08/959560908.db2.gz LFCRPERQFAJUJJ-ZDUSSCGKSA-N -1 0 303.402 3.859 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1F ZINC000191442387 959567964 /nfs/dbraw/zinc/56/79/64/959567964.db2.gz SVJLTRWRLQYMRT-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM CC1(C)CCC(CC(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001573667846 959712255 /nfs/dbraw/zinc/71/22/55/959712255.db2.gz YGKQNAOEHKNRFG-UHFFFAOYSA-N -1 0 303.402 3.608 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC001588648764 959750365 /nfs/dbraw/zinc/75/03/65/959750365.db2.gz QSCNYDULRKRKSY-GFCCVEGCSA-N -1 0 313.344 3.634 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)C1(C(=O)[O-])CCC1 ZINC001594269139 959781777 /nfs/dbraw/zinc/78/17/77/959781777.db2.gz WNFNMGOZBWHZJQ-NSHDSACASA-N -1 0 302.326 3.600 20 0 DHADRM CC(C)c1sc(NC(=O)C23CCC(CC2)CC3)nc1C(=O)[O-] ZINC001123389746 960472668 /nfs/dbraw/zinc/47/26/68/960472668.db2.gz RVEDMSQKITZZHQ-UHFFFAOYSA-N -1 0 322.430 3.874 20 0 DHADRM CSc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001574258115 960552606 /nfs/dbraw/zinc/55/26/06/960552606.db2.gz WAVIIHGCGNZTRU-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CC/C(=C/C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001573757902 960574547 /nfs/dbraw/zinc/57/45/47/960574547.db2.gz DCUIUTYRPWQJHG-JBXOJTMHSA-N -1 0 317.429 3.652 20 0 DHADRM CN(CC(=O)[O-])Cc1c(Cl)cccc1Oc1ccccc1 ZINC001604113861 972516030 /nfs/dbraw/zinc/51/60/30/972516030.db2.gz LCBHEAXOQWERPU-UHFFFAOYSA-N -1 0 305.761 3.649 20 0 DHADRM O=C([O-])c1ccc(F)c(CN2CCc3cccc(Cl)c3C2)c1 ZINC001231459542 960610549 /nfs/dbraw/zinc/61/05/49/960610549.db2.gz CVSFQKDOWZVMNK-UHFFFAOYSA-N -1 0 319.763 3.736 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3cc(Cl)ccc3C2)s1 ZINC001231464531 960616748 /nfs/dbraw/zinc/61/67/48/960616748.db2.gz KLPLPHMLWGMYSW-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC001253329182 960645540 /nfs/dbraw/zinc/64/55/40/960645540.db2.gz FNIDXIMCDKINGU-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573770698 960667385 /nfs/dbraw/zinc/66/73/85/960667385.db2.gz VSDGOGRIPREEAK-HIFRSBDPSA-N -1 0 317.429 3.557 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236687885 960734281 /nfs/dbraw/zinc/73/42/81/960734281.db2.gz QSIFBNHQEPEMKE-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236748075 960748480 /nfs/dbraw/zinc/74/84/80/960748480.db2.gz WSFLZLLNTQQLNG-XOKHGSTOSA-N -1 0 317.429 3.673 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000236801711 960761051 /nfs/dbraw/zinc/76/10/51/960761051.db2.gz QBSRMBYJBKXFLI-OLZOCXBDSA-N -1 0 311.447 3.987 20 0 DHADRM CCCCC1CCC(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000236823113 960764859 /nfs/dbraw/zinc/76/48/59/960764859.db2.gz JFEKCDYFEFXUBZ-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236939212 960803991 /nfs/dbraw/zinc/80/39/91/960803991.db2.gz SXNBUSHFEGHXDV-UHFFFAOYSA-N -1 0 317.772 3.701 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236967345 960816263 /nfs/dbraw/zinc/81/62/63/960816263.db2.gz QGCXVUZDYMHEAK-NSHDSACASA-N -1 0 322.792 3.680 20 0 DHADRM Cc1cc2sc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)nc2c(C)c1 ZINC001574321991 960828702 /nfs/dbraw/zinc/82/87/02/960828702.db2.gz IEVSVBVZOWLSDM-LLVKDONJSA-N -1 0 320.414 3.599 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000237003767 960833352 /nfs/dbraw/zinc/83/33/52/960833352.db2.gz DWJPHLRCIOCVQN-YJBOKZPZSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000237101886 960870835 /nfs/dbraw/zinc/87/08/35/960870835.db2.gz DWJPHLRCIOCVQN-CRAIPNDOSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc2ccccc21 ZINC001573809792 960877020 /nfs/dbraw/zinc/87/70/20/960877020.db2.gz VLMMKWFDQSSHAD-INIZCTEOSA-N -1 0 311.381 3.662 20 0 DHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc2ccccc21 ZINC001573809793 960877528 /nfs/dbraw/zinc/87/75/28/960877528.db2.gz VLMMKWFDQSSHAD-MRXNPFEDSA-N -1 0 311.381 3.662 20 0 DHADRM Cc1cc(NC(=O)C(C)(C)c2ccccc2)cc(C(=O)[O-])c1C ZINC000320570239 1013211639 /nfs/dbraw/zinc/21/16/39/1013211639.db2.gz QASFJJZHECWCQG-UHFFFAOYSA-N -1 0 311.381 3.918 20 0 DHADRM Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1C(F)(F)F ZINC001574337793 960912168 /nfs/dbraw/zinc/91/21/68/960912168.db2.gz JLAVCYWDVRORHX-UHFFFAOYSA-N -1 0 315.291 3.597 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000237339085 960912270 /nfs/dbraw/zinc/91/22/70/960912270.db2.gz NNRPTUPXHHXTAC-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)C1CCCCC1 ZINC000237398903 960927258 /nfs/dbraw/zinc/92/72/58/960927258.db2.gz YIRNTIQQCWHJOW-TZMCWYRMSA-N -1 0 323.458 3.987 20 0 DHADRM Cc1cc(NCc2cccc3c2OC(F)(F)O3)ccc1C(=O)[O-] ZINC001574343460 960954966 /nfs/dbraw/zinc/95/49/66/960954966.db2.gz XLTWDDSDZALYFJ-UHFFFAOYSA-N -1 0 321.279 3.627 20 0 DHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001319863376 960963460 /nfs/dbraw/zinc/96/34/60/960963460.db2.gz NGNXCXDGOZGWDZ-UHFFFAOYSA-N -1 0 317.341 3.536 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001573822485 960973948 /nfs/dbraw/zinc/97/39/48/960973948.db2.gz MWZNXWBNROAAPW-HNNXBMFYSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cccc(F)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001320773179 960988432 /nfs/dbraw/zinc/98/84/32/960988432.db2.gz JRYWAQZSHRZYSQ-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001320894023 960991360 /nfs/dbraw/zinc/99/13/60/960991360.db2.gz JSLPJJLZEPPSQP-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000237799010 961025274 /nfs/dbraw/zinc/02/52/74/961025274.db2.gz XKMCULCLNXLZBQ-QGZVFWFLSA-N -1 0 309.365 3.671 20 0 DHADRM Cc1ccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000237891969 961037475 /nfs/dbraw/zinc/03/74/75/961037475.db2.gz HAKBMYKEGOTHNV-QGZVFWFLSA-N -1 0 309.365 3.574 20 0 DHADRM CCC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573836577 961058558 /nfs/dbraw/zinc/05/85/58/961058558.db2.gz VKDGGSGYOZFDEP-WQTVUKCASA-N -1 0 313.353 3.649 20 0 DHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)C(=O)[O-] ZINC001573843092 961095100 /nfs/dbraw/zinc/09/51/00/961095100.db2.gz QZJAFSFOONMYBP-LBPRGKRZSA-N -1 0 311.809 3.580 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1C(=O)[O-])CC2 ZINC001574382691 961121339 /nfs/dbraw/zinc/12/13/39/961121339.db2.gz WCHOJGOMVGGLJQ-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM Cc1ccc2sc(N3CCC(CCC(=O)[O-])CC3)nc2c1 ZINC001574384998 961130398 /nfs/dbraw/zinc/13/03/98/961130398.db2.gz WJGXRCLHQSMWGP-UHFFFAOYSA-N -1 0 304.415 3.686 20 0 DHADRM CN(C(=O)c1cccc(Cl)c1[O-])c1cccc2cccnc21 ZINC001270509974 1013229228 /nfs/dbraw/zinc/22/92/28/1013229228.db2.gz QVSKSDZUYDHADV-UHFFFAOYSA-N -1 0 312.756 3.870 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001588740946 961163309 /nfs/dbraw/zinc/16/33/09/961163309.db2.gz CLDDIJBRQMLFLS-WDEREUQCSA-N -1 0 309.793 3.687 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)/C=C/SCc1ccco1 ZINC001574389870 961163512 /nfs/dbraw/zinc/16/35/12/961163512.db2.gz UKLCMAJJEFONOP-VQHVLOKHSA-N -1 0 317.366 3.672 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001588741064 961165904 /nfs/dbraw/zinc/16/59/04/961165904.db2.gz KGZNXGDNRKCZCH-KRWDZBQOSA-N -1 0 307.365 3.563 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238224907 961166961 /nfs/dbraw/zinc/16/69/61/961166961.db2.gz XEBVXACJIYHJHV-CABCVRRESA-N -1 0 315.756 3.780 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC001574390955 961179536 /nfs/dbraw/zinc/17/95/36/961179536.db2.gz GMBVDGJHUSNRGN-QGZVFWFLSA-N -1 0 311.381 3.674 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000248762363 961198436 /nfs/dbraw/zinc/19/84/36/961198436.db2.gz QXUSUGDGPNVJBH-OFQRWUPVSA-N -1 0 305.418 3.781 20 0 DHADRM CN(C(=O)c1cc2c(s1)CCCCCC2)C(C)(C)CC(=O)[O-] ZINC001328572611 961213937 /nfs/dbraw/zinc/21/39/37/961213937.db2.gz OOLNQAHGRVPBKK-UHFFFAOYSA-N -1 0 323.458 3.732 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC001573874495 961233153 /nfs/dbraw/zinc/23/31/53/961233153.db2.gz QZCWGQWPPLOYDF-XJKSGUPXSA-N -1 0 303.402 3.734 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001573883916 961304929 /nfs/dbraw/zinc/30/49/29/961304929.db2.gz XBFBWWFLUNOAHP-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC000253350540 961318179 /nfs/dbraw/zinc/31/81/79/961318179.db2.gz SWLGGDARMQUCET-VNHYZAJKSA-N -1 0 303.402 3.715 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000261929833 961399794 /nfs/dbraw/zinc/39/97/94/961399794.db2.gz SPLQKLOZDFVNEY-SQWLQELKSA-N -1 0 315.413 3.859 20 0 DHADRM CCCCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000261920684 961399898 /nfs/dbraw/zinc/39/98/98/961399898.db2.gz RLQOLDPAEHSOCZ-UHFFFAOYSA-N -1 0 311.381 3.761 20 0 DHADRM O=C([O-])CC1CC(Nc2cc(F)ccc2SCC(F)F)C1 ZINC001331942517 961419491 /nfs/dbraw/zinc/41/94/91/961419491.db2.gz CKDPROQJIBBSHI-UHFFFAOYSA-N -1 0 319.348 3.848 20 0 DHADRM COc1ccc(NC2CC(CC(=O)[O-])C2)cc1OC1CCCC1 ZINC001331944379 961424163 /nfs/dbraw/zinc/42/41/63/961424163.db2.gz XDJZUQNYBPQOTC-UHFFFAOYSA-N -1 0 319.401 3.682 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCc2sccc21 ZINC000328585125 1013255365 /nfs/dbraw/zinc/25/53/65/1013255365.db2.gz YPBAIKPYKLIHGP-XQQFMLRXSA-N -1 0 307.415 3.768 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262091730 961449730 /nfs/dbraw/zinc/44/97/30/961449730.db2.gz CQGINIBBJYBUER-GOSISDBHSA-N -1 0 323.392 3.599 20 0 DHADRM CC(C)C(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588813175 961536126 /nfs/dbraw/zinc/53/61/26/961536126.db2.gz VGTVQHMJNPDDMN-UHFFFAOYSA-N -1 0 316.760 3.733 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262247635 961590779 /nfs/dbraw/zinc/59/07/79/961590779.db2.gz VEIIVSTYJFAKOT-RDJZCZTQSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000262273212 961611112 /nfs/dbraw/zinc/61/11/12/961611112.db2.gz WZNFOXXQMDYWMR-QGZVFWFLSA-N -1 0 311.381 3.836 20 0 DHADRM CC(C)[C@@H](CNC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588820987 961615015 /nfs/dbraw/zinc/61/50/15/961615015.db2.gz KZOHNMAXFXREJY-YSSOQSIOSA-N -1 0 309.450 3.622 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000262281057 961615190 /nfs/dbraw/zinc/61/51/90/961615190.db2.gz ZPAQDZPITZJYNR-IBGZPJMESA-N -1 0 323.392 3.503 20 0 DHADRM CC(C)[C@H](Cc1ccccc1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001588833173 961729984 /nfs/dbraw/zinc/72/99/84/961729984.db2.gz GPQJZCIORSQREF-AWEZNQCLSA-N -1 0 314.385 3.558 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262507004 961754808 /nfs/dbraw/zinc/75/48/08/961754808.db2.gz LMFYPYRCYYVKBN-GFCCVEGCSA-N -1 0 309.431 3.862 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC1(C(F)(F)F)CC1 ZINC001334186444 961770191 /nfs/dbraw/zinc/77/01/91/961770191.db2.gz HWMLKPGUKUOFCS-UHFFFAOYSA-N -1 0 315.291 3.673 20 0 DHADRM CN(C(=O)c1csc(C2CCCCC2)n1)C(C)(C)CC(=O)[O-] ZINC001334202377 961779762 /nfs/dbraw/zinc/77/97/62/961779762.db2.gz MMEHSXRSPBQDNA-UHFFFAOYSA-N -1 0 324.446 3.516 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1cccc(C(=O)[O-])n1 ZINC000262654553 961796578 /nfs/dbraw/zinc/79/65/78/961796578.db2.gz SKLMQFOHUNXAMQ-UHFFFAOYSA-N -1 0 306.406 3.602 20 0 DHADRM CC(C)C1CCC(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC001588841849 961810545 /nfs/dbraw/zinc/81/05/45/961810545.db2.gz RLEQMNWWRCGWJU-UYSNPLJNSA-N -1 0 324.465 3.630 20 0 DHADRM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1ccccc1C(=O)[O-] ZINC001574514305 961839752 /nfs/dbraw/zinc/83/97/52/961839752.db2.gz ZYQLNQMMFLUIOM-VURMDHGXSA-N -1 0 306.321 3.518 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)C[C@H]1CCCc2ccccc21 ZINC001574515674 961845426 /nfs/dbraw/zinc/84/54/26/961845426.db2.gz NDGYPZDAPKUMKH-OAHLLOKOSA-N -1 0 323.392 3.511 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001574515661 961845661 /nfs/dbraw/zinc/84/56/61/961845661.db2.gz NDGYPZDAPKUMKH-HNNXBMFYSA-N -1 0 323.392 3.511 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)CCc1ccc(Cl)s1 ZINC001574525087 961876507 /nfs/dbraw/zinc/87/65/07/961876507.db2.gz HCDGOGFMYGZCFB-UHFFFAOYSA-N -1 0 315.803 3.733 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC001588848084 961907776 /nfs/dbraw/zinc/90/77/76/961907776.db2.gz DLPYKPNDUBWQSH-QLFBSQMISA-N -1 0 311.466 3.702 20 0 DHADRM O=C([O-])[C@H](NC(=O)/C(F)=C/C1CCCCC1)c1ccc(F)cc1 ZINC001574547533 961956247 /nfs/dbraw/zinc/95/62/47/961956247.db2.gz KUYHKZYKOTXECV-BAAYTWLHSA-N -1 0 323.339 3.501 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000262900479 961977569 /nfs/dbraw/zinc/97/75/69/961977569.db2.gz IRABQCNODLNDFO-NSHDSACASA-N -1 0 305.374 3.548 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2cc(C(=O)[O-])ccn2)CCCC1 ZINC001588860836 961995981 /nfs/dbraw/zinc/99/59/81/961995981.db2.gz KBAWFOGPESEZGY-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001588861533 962001111 /nfs/dbraw/zinc/00/11/11/962001111.db2.gz XWABIBGLMUIHMN-SNAWJCMRSA-N -1 0 319.401 3.666 20 0 DHADRM COc1cc(NC(=O)[C@H](C)CC2CCCC2)ccc1C(=O)[O-] ZINC000262922638 962006635 /nfs/dbraw/zinc/00/66/35/962006635.db2.gz KOFACDODBQJKFD-LLVKDONJSA-N -1 0 305.374 3.548 20 0 DHADRM Cc1ccccc1NC(=O)c1cccc(Br)c1[O-] ZINC000519310807 1013304794 /nfs/dbraw/zinc/30/47/94/1013304794.db2.gz GWSHESHDKNOZIE-UHFFFAOYSA-N -1 0 306.159 3.715 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588870990 962077967 /nfs/dbraw/zinc/07/79/67/962077967.db2.gz CUWOCCRAURTRRN-UHFFFAOYSA-N -1 0 320.433 3.599 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000262999738 962092809 /nfs/dbraw/zinc/09/28/09/962092809.db2.gz RBSAWEIHDOLNQQ-LBPRGKRZSA-N -1 0 309.793 3.543 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588872356 962094014 /nfs/dbraw/zinc/09/40/14/962094014.db2.gz KFDFISYBVNNESY-CABCVRRESA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)COc1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001588877778 962136388 /nfs/dbraw/zinc/13/63/88/962136388.db2.gz YIYCERAUGZDBQJ-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)cc1 ZINC001343707721 962168527 /nfs/dbraw/zinc/16/85/27/962168527.db2.gz ZZHUHDHTYCUBPI-KRWDZBQOSA-N -1 0 317.429 3.988 20 0 DHADRM CSc1ccc(NC(=O)C(C)(C)C(F)(F)F)cc1C(=O)[O-] ZINC001344543706 962195689 /nfs/dbraw/zinc/19/56/89/962195689.db2.gz PZTVCNKTLLXMOK-UHFFFAOYSA-N -1 0 321.320 3.634 20 0 DHADRM CCCC(CCC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000263068567 962210164 /nfs/dbraw/zinc/21/01/64/962210164.db2.gz JFPOPLCUFJIKQS-UHFFFAOYSA-N -1 0 307.390 3.686 20 0 DHADRM CC(C)C[C@H](CNc1ccnc(-c2ccccc2)n1)CC(=O)[O-] ZINC001588898714 962239667 /nfs/dbraw/zinc/23/96/67/962239667.db2.gz XREWYRJXNGUBGC-AWEZNQCLSA-N -1 0 313.401 3.693 20 0 DHADRM CC(C)C[C@H](NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC001588899672 962250839 /nfs/dbraw/zinc/25/08/39/962250839.db2.gz UDTCCMJAFGNZEC-GVGVCBJOSA-N -1 0 309.450 3.621 20 0 DHADRM CC(C)(CCC(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1ccccc1 ZINC000659239297 1013327839 /nfs/dbraw/zinc/32/78/39/1013327839.db2.gz KUAJDPUWZZKSEI-HNAYVOBHSA-N -1 0 317.429 3.504 20 0 DHADRM CCC1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC000263224183 962375359 /nfs/dbraw/zinc/37/53/59/962375359.db2.gz PQMHAMVVIHSJPP-UHFFFAOYSA-N -1 0 307.365 3.752 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccccc1OC1CCCC1 ZINC000263260459 962400053 /nfs/dbraw/zinc/40/00/53/962400053.db2.gz GJPYFVSQCACETF-UHFFFAOYSA-N -1 0 305.374 3.592 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001348489761 962446264 /nfs/dbraw/zinc/44/62/64/962446264.db2.gz BQZZNEIWDOLZDJ-CQSZACIVSA-N -1 0 317.429 3.536 20 0 DHADRM Cc1noc(C(C)C)c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263332753 962478443 /nfs/dbraw/zinc/47/84/43/962478443.db2.gz QGNOAEKPEFXMRX-SNVBAGLBSA-N -1 0 316.357 3.547 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263343314 962495268 /nfs/dbraw/zinc/49/52/68/962495268.db2.gz SOFPDPZQEAEQRW-UONOGXRCSA-N -1 0 321.417 3.655 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ncoc1C(C)C ZINC001350354087 962540239 /nfs/dbraw/zinc/54/02/39/962540239.db2.gz LQLMOIPALDRETN-MRXNPFEDSA-N -1 0 316.401 3.836 20 0 DHADRM CC(C)c1nc(CNc2cccc(CCC(=O)[O-])c2)cs1 ZINC001350598752 962542534 /nfs/dbraw/zinc/54/25/34/962542534.db2.gz BKPWXDDQEOVWME-UHFFFAOYSA-N -1 0 304.415 3.896 20 0 DHADRM CCc1ccc(-c2nc(C[N@H+](C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000263398611 962559829 /nfs/dbraw/zinc/55/98/29/962559829.db2.gz ZREIZZRTPXIWCB-LBPRGKRZSA-N -1 0 318.442 3.525 20 0 DHADRM CC(C)CCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263420254 962592030 /nfs/dbraw/zinc/59/20/30/962592030.db2.gz KYBBZJTVFDYKJK-UHFFFAOYSA-N -1 0 311.381 3.828 20 0 DHADRM O=C([O-])[C@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000263431241 962606758 /nfs/dbraw/zinc/60/67/58/962606758.db2.gz SFRRGPCOYBNRNJ-OAHLLOKOSA-N -1 0 316.426 3.716 20 0 DHADRM CC(C)(C)C[C@@H](NCc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000263451622 962638899 /nfs/dbraw/zinc/63/88/99/962638899.db2.gz ZWDOGLWFERNBPM-GFCCVEGCSA-N -1 0 303.324 3.842 20 0 DHADRM CC[C@@H](CN(CC)C(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000263575089 962739071 /nfs/dbraw/zinc/73/90/71/962739071.db2.gz OKIXTXICPINESK-ZDUSSCGKSA-N -1 0 315.369 3.634 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000277164895 962847394 /nfs/dbraw/zinc/84/73/94/962847394.db2.gz CIBSVVMBFKPQJA-PKNBQFBNSA-N -1 0 321.804 3.503 20 0 DHADRM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(C(=O)[O-])c1C ZINC000387500289 1013384170 /nfs/dbraw/zinc/38/41/70/1013384170.db2.gz KMSQNNBWOBWUEZ-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001573381125 963111377 /nfs/dbraw/zinc/11/13/77/963111377.db2.gz DFSSGASGGCDYCB-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CC(C)(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000312771396 963591380 /nfs/dbraw/zinc/59/13/80/963591380.db2.gz NAOLGNVTKONXTP-UHFFFAOYSA-N -1 0 319.188 3.616 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCSc2ccccc2)ccc1F ZINC000314642454 963783118 /nfs/dbraw/zinc/78/31/18/963783118.db2.gz CCMIGTFNEHBXQX-UHFFFAOYSA-N -1 0 319.357 3.645 20 0 DHADRM CC(C)N(Cc1cccs1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000315437227 963901373 /nfs/dbraw/zinc/90/13/73/963901373.db2.gz YQUHUDAHXBHZKK-UHFFFAOYSA-N -1 0 323.458 3.910 20 0 DHADRM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1ccccc1[S-] ZINC001143577571 1013475622 /nfs/dbraw/zinc/47/56/22/1013475622.db2.gz DVHRGWSHLBRYJG-NSHDSACASA-N -1 0 316.382 3.551 20 0 DHADRM O=C([O-])CCCCNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000668161574 1013532710 /nfs/dbraw/zinc/53/27/10/1013532710.db2.gz QPRGMYJGEUGRCN-UHFFFAOYSA-N -1 0 314.172 3.603 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1cccc(Cl)c1 ZINC000237924332 1013606534 /nfs/dbraw/zinc/60/65/34/1013606534.db2.gz BRBFEKQVJUVJHS-HNNXBMFYSA-N -1 0 323.820 3.519 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000520359973 1013720915 /nfs/dbraw/zinc/72/09/15/1013720915.db2.gz JCSXPJJUZFVMAA-OCCSQVGLSA-N -1 0 315.442 3.782 20 0 DHADRM O=C([O-])c1cccc(Nc2cnc(Cl)cc2Cl)c1F ZINC001210240031 1013731342 /nfs/dbraw/zinc/73/13/42/1013731342.db2.gz QTHHLOFTCQOQAE-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM COc1ccc(C(=O)[O-])cc1Nc1ccnc(Cl)c1Cl ZINC001210252860 1013743493 /nfs/dbraw/zinc/74/34/93/1013743493.db2.gz ROUXRQJIQPNIOB-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM Cc1ccc(/C=C/CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237794554 967783885 /nfs/dbraw/zinc/78/38/85/967783885.db2.gz VLKLINUOURMPIB-BDUNBXCCSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@H]1CNc2c([N-]c3nc(C4CCCCC4)ns3)cnn2C1 ZINC000894951801 1013753801 /nfs/dbraw/zinc/75/38/01/1013753801.db2.gz VPQPFVZNGBKHGD-JTQLQIEISA-N -1 0 318.450 3.588 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000683620555 1013757855 /nfs/dbraw/zinc/75/78/55/1013757855.db2.gz NIGZDDLQFLYVQX-OAHLLOKOSA-N -1 0 319.763 3.910 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2SC)C1 ZINC000318140184 967990066 /nfs/dbraw/zinc/99/00/66/967990066.db2.gz UCDLBCBACJXHFE-INIZCTEOSA-N -1 0 322.430 3.517 20 0 DHADRM COc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1F ZINC000655574385 1013773616 /nfs/dbraw/zinc/77/36/16/1013773616.db2.gz QNWMNOVPCPAMKW-UHFFFAOYSA-N -1 0 321.373 3.513 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000568023944 968436167 /nfs/dbraw/zinc/43/61/67/968436167.db2.gz RLWFMGRWSXMVRA-IRXDYDNUSA-N -1 0 317.429 3.501 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000621536108 968512326 /nfs/dbraw/zinc/51/23/26/968512326.db2.gz QNDSFOLQJIQPPP-UHFFFAOYSA-N -1 0 313.353 3.640 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000653302522 968645647 /nfs/dbraw/zinc/64/56/47/968645647.db2.gz VBVKURJQTXCCTE-UHFFFAOYSA-N -1 0 323.364 3.587 20 0 DHADRM CCCCc1ccc(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000315854312 1013821028 /nfs/dbraw/zinc/82/10/28/1013821028.db2.gz XIWBNGXMYOBAGY-KRWDZBQOSA-N -1 0 304.390 3.500 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3[nH]ccc3c2)CCCCCC1 ZINC000663029691 968762472 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CCCC(CCC)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000317467205 970361234 /nfs/dbraw/zinc/36/12/34/970361234.db2.gz YZNBMHZFMCLFQX-AWEZNQCLSA-N -1 0 303.402 3.808 20 0 DHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592382 1013997966 /nfs/dbraw/zinc/99/79/66/1013997966.db2.gz CPPNGUXBMTWBSD-LLVKDONJSA-N -1 0 318.345 3.581 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(Cl)c1 ZINC000318663868 970459495 /nfs/dbraw/zinc/45/94/95/970459495.db2.gz KHHYZFYQFYXOKJ-LBPRGKRZSA-N -1 0 323.820 3.611 20 0 DHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000321318524 970761758 /nfs/dbraw/zinc/76/17/58/970761758.db2.gz QHROIGHVJGIQHA-ZDUSSCGKSA-N -1 0 321.392 3.770 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001603327639 972676731 /nfs/dbraw/zinc/67/67/31/972676731.db2.gz NWJUZRNKLQBNCM-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC001605900507 972723638 /nfs/dbraw/zinc/72/36/38/972723638.db2.gz 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ZINC001605202284 972941563 /nfs/dbraw/zinc/94/15/63/972941563.db2.gz QAUALUGEWCYCTF-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM O=C(NO[C@H]1CCCCO1)Nc1ccccc1-c1cccs1 ZINC000155635219 1014070923 /nfs/dbraw/zinc/07/09/23/1014070923.db2.gz MELBVVMFSXLBIN-HNNXBMFYSA-N -1 0 318.398 3.995 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001605256355 973025536 /nfs/dbraw/zinc/02/55/36/973025536.db2.gz SLNASYIIDDVJPP-HNNXBMFYSA-N -1 0 319.445 3.668 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2cc(C(=O)[O-])ccn2)C1(C)C ZINC001603395382 973031818 /nfs/dbraw/zinc/03/18/18/973031818.db2.gz WNBHZEXOXQELHX-XGDOWPQESA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001603399406 973045799 /nfs/dbraw/zinc/04/57/99/973045799.db2.gz FLFSGKYXSCOXLJ-QKPAOTATSA-N -1 0 324.465 3.630 20 0 DHADRM Cc1ccc(CCC(=O)Nc2sccc2C(=O)[O-])c(C)c1 ZINC001605270717 973051073 /nfs/dbraw/zinc/05/10/73/973051073.db2.gz INJJZEFQAOXATN-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC001603399999 973051898 /nfs/dbraw/zinc/05/18/98/973051898.db2.gz SRYDKPPHHNCKDM-WZRBSPASSA-N -1 0 322.380 3.718 20 0 DHADRM Cc1ccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c(C)n1 ZINC001605273208 973058178 /nfs/dbraw/zinc/05/81/78/973058178.db2.gz OHYZKPQTTAVEBD-INIZCTEOSA-N -1 0 324.424 3.742 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)[C@@H]1C(=O)[O-] ZINC001603410005 973085100 /nfs/dbraw/zinc/08/51/00/973085100.db2.gz NIBSDVDZZGRCLD-DYVFJYSZSA-N -1 0 313.397 3.579 20 0 DHADRM O=C([O-])[C@H]1CCN(Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC001606016016 973107870 /nfs/dbraw/zinc/10/78/70/973107870.db2.gz OHGVWHDAEKGYSN-KRWDZBQOSA-N -1 0 323.392 3.590 20 0 DHADRM C[C@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001603417899 973131334 /nfs/dbraw/zinc/13/13/34/973131334.db2.gz XUVMLIXCIAJUQT-DZGCQCFKSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)C1CCC(F)(F)CC1 ZINC000655340756 1014084470 /nfs/dbraw/zinc/08/44/70/1014084470.db2.gz JFWLMPNRABQLAB-MRVPVSSYSA-N -1 0 319.298 3.614 20 0 DHADRM Cc1cccc(Cl)c1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605339507 973225942 /nfs/dbraw/zinc/22/59/42/973225942.db2.gz NTIAQFNBCFPPJI-SDDRHHMPSA-N -1 0 323.820 3.514 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(Br)cc1O ZINC001210967624 1014098324 /nfs/dbraw/zinc/09/83/24/1014098324.db2.gz NHSWMRWPOSQLCW-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM Nc1c2cc(Br)ccc2nn1-c1cccc([S-])c1 ZINC001210945756 1014093454 /nfs/dbraw/zinc/09/34/54/1014093454.db2.gz UEUUGSCSUNAXPM-UHFFFAOYSA-N -1 0 320.215 3.659 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001605350777 973252854 /nfs/dbraw/zinc/25/28/54/973252854.db2.gz HCICZXXOYOXFLY-LBPRGKRZSA-N -1 0 313.353 3.531 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(O)c(F)c3)C2)cc1 ZINC000683891147 1014094902 /nfs/dbraw/zinc/09/49/02/1014094902.db2.gz YVXLVZIWOXCUPU-XJKSGUPXSA-N -1 0 313.372 3.858 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)Cc2ccccc21 ZINC001603450713 973257485 /nfs/dbraw/zinc/25/74/85/973257485.db2.gz LXAYJCKRUAPTDM-GFCCVEGCSA-N -1 0 310.353 3.536 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000400412117 973274709 /nfs/dbraw/zinc/27/47/09/973274709.db2.gz YROKVFFUQZGLDU-KCJUWKMLSA-N -1 0 318.200 3.613 20 0 DHADRM CC(=Nc1c(C)cc(C)cc1S(=O)(=O)[O-])c1ccccc1 ZINC001210989128 1014100723 /nfs/dbraw/zinc/10/07/23/1014100723.db2.gz FYQVRQJGJYQUQW-UHFFFAOYSA-N -1 0 303.383 3.633 20 0 DHADRM Cc1cnc(OC(C)C)c(NCc2ccc(C(=O)[O-])s2)c1 ZINC001605375434 973328502 /nfs/dbraw/zinc/32/85/02/973328502.db2.gz LSEVWBQHYLPSAA-UHFFFAOYSA-N -1 0 306.387 3.549 20 0 DHADRM CO[C@H](CN1CC[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001604471451 973346062 /nfs/dbraw/zinc/34/60/62/973346062.db2.gz SVZAXRKIRJSSDZ-SJLPKXTDSA-N -1 0 317.429 3.660 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC000401418313 973363500 /nfs/dbraw/zinc/36/35/00/973363500.db2.gz DEOZHTBRJUGKCW-LBPRGKRZSA-N -1 0 305.399 3.521 20 0 DHADRM C[C@H]1O[C@@H](C)Cc2c1sc(NC(=O)C=C1CCC1)c2C(=O)[O-] ZINC001603475775 973366408 /nfs/dbraw/zinc/36/64/08/973366408.db2.gz QDLQQWVAYXJASY-DTWKUNHWSA-N -1 0 321.398 3.517 20 0 DHADRM COc1c(Nc2nc3cc(Cl)ccc3o2)cccc1C(=O)[O-] ZINC001211031793 1014109616 /nfs/dbraw/zinc/10/96/16/1014109616.db2.gz IGKAQHHLDQPKLB-UHFFFAOYSA-N -1 0 318.716 3.932 20 0 DHADRM O=C([O-])CCCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001606179529 973427863 /nfs/dbraw/zinc/42/78/63/973427863.db2.gz YFEZOXIBMGZAAW-UHFFFAOYSA-N -1 0 323.801 3.663 20 0 DHADRM Cc1nccc2c(NC(=O)C3(C(=O)[O-])CCCCC3)cccc12 ZINC001605425013 973459476 /nfs/dbraw/zinc/45/94/76/973459476.db2.gz PVNUYPDUDAJPBL-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC001603524160 973561251 /nfs/dbraw/zinc/56/12/51/973561251.db2.gz TUXXFQVKTSHTAA-ZDUSSCGKSA-N -1 0 321.417 3.609 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2ccccc2cc1F)C(=O)[O-] ZINC001603540049 973593185 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CCCCCCOc1ccc(C(=O)N(C)[C@H](CC)C(=O)[O-])cc1 ZINC001603640416 973981892 /nfs/dbraw/zinc/98/18/92/973981892.db2.gz GCEMSAMPFKOLMX-MRXNPFEDSA-N -1 0 321.417 3.581 20 0 DHADRM CCCC[C@H](CCC)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001603641435 973990418 /nfs/dbraw/zinc/99/04/18/973990418.db2.gz PVSALYCMQSGMCM-AWEZNQCLSA-N -1 0 306.406 3.543 20 0 DHADRM O=C([O-])c1cccc(C(=O)NCc2cc3ccccc3s2)c1 ZINC001606508622 974000897 /nfs/dbraw/zinc/00/08/97/974000897.db2.gz ZHPCZTSMJWEWGU-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM O=C(/C=C/Sc1ccccc1)NC1(C(=O)[O-])CCCCCC1 ZINC001605660065 974058091 /nfs/dbraw/zinc/05/80/91/974058091.db2.gz SFMKAAGUNAXQEN-JLHYYAGUSA-N -1 0 319.426 3.586 20 0 DHADRM CC1(CNC(=O)c2ccc(C(=O)[O-])cc2F)CCCCCC1 ZINC000432096588 974085716 /nfs/dbraw/zinc/08/57/16/974085716.db2.gz GAQBABSCLOYNCS-UHFFFAOYSA-N -1 0 307.365 3.614 20 0 DHADRM CCCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603693061 974091172 /nfs/dbraw/zinc/09/11/72/974091172.db2.gz YXUOXKWBKWUGSE-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001603705969 974112348 /nfs/dbraw/zinc/11/23/48/974112348.db2.gz QPPNOOHPBNXFPT-KGLIPLIRSA-N -1 0 305.418 3.625 20 0 DHADRM CCN(C(=O)c1cccc(-c2cccc(C)c2)c1)[C@@H](C)C(=O)[O-] ZINC001603714813 974129126 /nfs/dbraw/zinc/12/91/26/974129126.db2.gz ZBTJLCLULATNQR-AWEZNQCLSA-N -1 0 311.381 3.597 20 0 DHADRM CCC(CC)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455939216 974174292 /nfs/dbraw/zinc/17/42/92/974174292.db2.gz WFACCQCBWFSWHI-LBPRGKRZSA-N -1 0 317.307 3.541 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000478851755 974211955 /nfs/dbraw/zinc/21/19/55/974211955.db2.gz JADMVBNXEPCTMN-INIZCTEOSA-N -1 0 315.344 3.651 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@H](C)CC(=O)[O-])o1 ZINC000514738102 974291911 /nfs/dbraw/zinc/29/19/11/974291911.db2.gz FJSDLUCNBDNYPS-IPYPFGDCSA-N -1 0 321.417 3.643 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000538465936 974387339 /nfs/dbraw/zinc/38/73/39/974387339.db2.gz XWJOZXIMIHDDRP-UHFFFAOYSA-N -1 0 317.410 3.807 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000539576726 974396745 /nfs/dbraw/zinc/39/67/45/974396745.db2.gz SHAKNEVVKOOJBZ-INWMFGNUSA-N -1 0 321.392 3.674 20 0 DHADRM CCc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001603974980 974462235 /nfs/dbraw/zinc/46/22/35/974462235.db2.gz VRNUQBKGJZYRFE-SJORKVTESA-N -1 0 324.380 3.684 20 0 DHADRM O=C([O-])c1ccc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)nc1 ZINC000568060916 974656968 /nfs/dbraw/zinc/65/69/68/974656968.db2.gz SYWXLYQNFVOADC-IBGZPJMESA-N -1 0 322.408 3.822 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000568246311 974663086 /nfs/dbraw/zinc/66/30/86/974663086.db2.gz KQBGPYYINUCYRN-VIFPVBQESA-N -1 0 315.822 3.891 20 0 DHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cc(C(=O)[O-])co1 ZINC000317419080 1014211567 /nfs/dbraw/zinc/21/15/67/1014211567.db2.gz PYIZCUWXYNRTCX-CQSZACIVSA-N -1 0 303.358 3.683 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000573584523 974768201 /nfs/dbraw/zinc/76/82/01/974768201.db2.gz MBOFNIJBKKAABG-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM C[C@H](NCc1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000574277662 974779646 /nfs/dbraw/zinc/77/96/46/974779646.db2.gz RFKGLFXQVZLJAO-NSHDSACASA-N -1 0 316.426 3.960 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2F)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065730 974794537 /nfs/dbraw/zinc/79/45/37/974794537.db2.gz XBBDXNDPARBZHZ-IINYFYTJSA-N -1 0 320.389 3.564 20 0 DHADRM C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@@H]1c1cccc(F)c1 ZINC000576590731 974818275 /nfs/dbraw/zinc/81/82/75/974818275.db2.gz CBCODSIBMVXDHE-BONVTDFDSA-N -1 0 320.389 3.564 20 0 DHADRM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@H]1c1cccc(F)c1 ZINC000576590732 974818678 /nfs/dbraw/zinc/81/86/78/974818678.db2.gz CBCODSIBMVXDHE-MEBBXXQBSA-N -1 0 320.389 3.564 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000581374453 974909385 /nfs/dbraw/zinc/90/93/85/974909385.db2.gz NFECMVOKFMBZAF-INIZCTEOSA-N -1 0 323.392 3.745 20 0 DHADRM CCCC[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000621538707 975028864 /nfs/dbraw/zinc/02/88/64/975028864.db2.gz XGYFNUXXGCHPIF-CVEARBPZSA-N -1 0 323.408 3.573 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000621567324 975034546 /nfs/dbraw/zinc/03/45/46/975034546.db2.gz QTAAWHWHEHJZBU-AWEZNQCLSA-N -1 0 315.369 3.519 20 0 DHADRM Cc1cc2occ(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2cc1C ZINC000621570557 975037243 /nfs/dbraw/zinc/03/72/43/975037243.db2.gz AJMRDIVIASDUSB-HNNXBMFYSA-N -1 0 315.369 3.519 20 0 DHADRM O=C(/C=C\c1ccnc(Cl)c1)Nc1cccc(Cl)c1[O-] ZINC000255617654 1014232709 /nfs/dbraw/zinc/23/27/09/1014232709.db2.gz DBZFFZQLUFSWDT-PLNGDYQASA-N -1 0 309.152 3.746 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000630102809 975102043 /nfs/dbraw/zinc/10/20/43/975102043.db2.gz WMWQTPKFESCBDR-FRRDWIJNSA-N -1 0 309.431 3.597 20 0 DHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630104616 975102795 /nfs/dbraw/zinc/10/27/95/975102795.db2.gz OTYIPDUYCVPCHV-CYBMUJFWSA-N -1 0 315.369 3.727 20 0 DHADRM Cc1cc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)oc1C(=O)[O-] ZINC000630166088 975139423 /nfs/dbraw/zinc/13/94/23/975139423.db2.gz BLAUJOHGNXGSKM-CYBMUJFWSA-N -1 0 319.401 3.719 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000630184267 975146315 /nfs/dbraw/zinc/14/63/15/975146315.db2.gz JCUAYHIZUGVKRD-ZDUSSCGKSA-N -1 0 323.348 3.665 20 0 DHADRM C[C@H](CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccco1 ZINC000630194768 975152610 /nfs/dbraw/zinc/15/26/10/975152610.db2.gz VBOQNKXRDZAPJK-VXGBXAGGSA-N -1 0 301.342 3.600 20 0 DHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000630194056 975152678 /nfs/dbraw/zinc/15/26/78/975152678.db2.gz JQHCXFFDUJMNPY-JEBQAFNWSA-N -1 0 323.392 3.925 20 0 DHADRM Cc1cocc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000630195752 975153257 /nfs/dbraw/zinc/15/32/57/975153257.db2.gz CHCMESQDUZDVRY-CQSZACIVSA-N -1 0 307.390 3.522 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000630292410 975234300 /nfs/dbraw/zinc/23/43/00/975234300.db2.gz ZSVSSYMFWAVKHK-HZPDHXFCSA-N -1 0 317.429 3.648 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630294224 975235075 /nfs/dbraw/zinc/23/50/75/975235075.db2.gz HFGFVUSHEKGIML-IAGOWNOFSA-N -1 0 317.429 3.816 20 0 DHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1=CCCCC1 ZINC000630301289 975239689 /nfs/dbraw/zinc/23/96/89/975239689.db2.gz HONKWWPLRFMUMW-KGLIPLIRSA-N -1 0 307.434 3.520 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000630306205 975242240 /nfs/dbraw/zinc/24/22/40/975242240.db2.gz OGENTNPQBMIFPV-RXYHWBRQSA-N -1 0 315.413 3.522 20 0 DHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000630327689 975255030 /nfs/dbraw/zinc/25/50/30/975255030.db2.gz REMDJJDINAVJIL-RUAUBTSSSA-N -1 0 301.386 3.640 20 0 DHADRM C[C@@H](Nc1ncc(C(=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000630460996 975265531 /nfs/dbraw/zinc/26/55/31/975265531.db2.gz ULPWUPNULBFVOA-LLVKDONJSA-N -1 0 317.414 3.615 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000630566964 975268093 /nfs/dbraw/zinc/26/80/93/975268093.db2.gz AUMNCVDJWCQBDM-BLLLJJGKSA-N -1 0 316.401 3.529 20 0 DHADRM COc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2ccsc2)c1 ZINC000634691052 975271282 /nfs/dbraw/zinc/27/12/82/975271282.db2.gz ZBWJKXQPKAAFGZ-CVEARBPZSA-N -1 0 317.410 3.720 20 0 DHADRM C[C@@H](NCc1ccccc1C1CC1)c1ncc(C(=O)[O-])s1 ZINC000647650264 975372712 /nfs/dbraw/zinc/37/27/12/975372712.db2.gz XAPIKRLQCCNLFT-SNVBAGLBSA-N -1 0 302.399 3.570 20 0 DHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000649256000 975395153 /nfs/dbraw/zinc/39/51/53/975395153.db2.gz IYWGWUXZCUILDY-YHUYYLMFSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@@H](C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(Cl)s1 ZINC000652079583 975475896 /nfs/dbraw/zinc/47/58/96/975475896.db2.gz JKEBQGIYJXRZAV-RKDXNWHRSA-N -1 0 317.838 3.511 20 0 DHADRM CC(C)OC(=O)c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001591686173 975492505 /nfs/dbraw/zinc/49/25/05/975492505.db2.gz HXOKTYFWRLICOO-UHFFFAOYSA-N -1 0 314.337 3.529 20 0 DHADRM CSc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1C ZINC000652122908 975509543 /nfs/dbraw/zinc/50/95/43/975509543.db2.gz PUAAXDLOBBTGMP-HAQNSBGRSA-N -1 0 307.415 3.546 20 0 DHADRM CC(C)c1nc(CN2CCc3cccc(C(=O)[O-])c3C2)cs1 ZINC000652488448 975556036 /nfs/dbraw/zinc/55/60/36/975556036.db2.gz SXVOFGBWHUOMRV-UHFFFAOYSA-N -1 0 316.426 3.523 20 0 DHADRM Cc1c2cccc(C)c2oc1CN(C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000652511100 975570603 /nfs/dbraw/zinc/57/06/03/975570603.db2.gz PFOJWXUYLIXMFP-QGZVFWFLSA-N -1 0 324.380 3.702 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000656233594 975648942 /nfs/dbraw/zinc/64/89/42/975648942.db2.gz KMVDOHBKOGGSEM-GFCCVEGCSA-N -1 0 323.820 3.726 20 0 DHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000656233339 975649182 /nfs/dbraw/zinc/64/91/82/975649182.db2.gz PKGMPTHRDNGFGH-FZKQIMNGSA-N -1 0 305.418 3.651 20 0 DHADRM Cc1ccc(NC(=O)C(C)(C)CC(F)(F)F)cc1C(=O)[O-] ZINC000659136366 975736957 /nfs/dbraw/zinc/73/69/57/975736957.db2.gz ILSKGLDRERDNOQ-UHFFFAOYSA-N -1 0 303.280 3.610 20 0 DHADRM O=C([O-])c1csc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000659146902 975746746 /nfs/dbraw/zinc/74/67/46/975746746.db2.gz LDBQLFXYTHOSOZ-ZANVPECISA-N -1 0 315.341 3.600 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659157651 975756612 /nfs/dbraw/zinc/75/66/12/975756612.db2.gz XONQMEORRUTKHS-NSHDSACASA-N -1 0 323.801 3.634 20 0 DHADRM CC(C)Oc1c(NC(=O)N2CCCC2(C)C)cccc1C(=O)[O-] ZINC001591744866 975774220 /nfs/dbraw/zinc/77/42/20/975774220.db2.gz WBOMCPNCZUAFIV-UHFFFAOYSA-N -1 0 320.389 3.578 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659201564 975808982 /nfs/dbraw/zinc/80/89/82/975808982.db2.gz VMLMYZJFWQJSEF-CYBMUJFWSA-N -1 0 307.390 3.591 20 0 DHADRM CC(C)Oc1ccc(-c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC001591756748 975827222 /nfs/dbraw/zinc/82/72/22/975827222.db2.gz ICKBUYFABZPJMJ-UHFFFAOYSA-N -1 0 302.374 3.696 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)C(C)(C)C ZINC001591769326 975892303 /nfs/dbraw/zinc/89/23/03/975892303.db2.gz KJCIGVMLSDHVCM-LLVKDONJSA-N -1 0 322.405 3.728 20 0 DHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000663158898 975936901 /nfs/dbraw/zinc/93/69/01/975936901.db2.gz WDTNITOBMJVRLF-AWEZNQCLSA-N -1 0 315.394 3.670 20 0 DHADRM CC(C)Oc1ccc(F)cc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001591778347 975939112 /nfs/dbraw/zinc/93/91/12/975939112.db2.gz WGWFKOKPPNRAHL-SOFGYWHQSA-N -1 0 319.332 3.916 20 0 DHADRM CC(C)c1ccc(NC(=O)NCC2(C(=O)[O-])CC2)c(C(C)C)c1 ZINC000663341366 975945313 /nfs/dbraw/zinc/94/53/13/975945313.db2.gz NRKKKLWGTLTBEP-UHFFFAOYSA-N -1 0 318.417 3.920 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)C2CCC2)c(C(=O)[O-])c1 ZINC001591780683 975946747 /nfs/dbraw/zinc/94/67/47/975946747.db2.gz MIDIVEDSJWMVGW-NSHDSACASA-N -1 0 305.374 3.547 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)C2CCCC2)c(C(=O)[O-])c1 ZINC001591781022 975949191 /nfs/dbraw/zinc/94/91/91/975949191.db2.gz QOHZRQRYMBBOAW-GFCCVEGCSA-N -1 0 319.401 3.937 20 0 DHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)s1 ZINC000666364875 975960101 /nfs/dbraw/zinc/96/01/01/975960101.db2.gz JXBBEFMPKINWAZ-SNVBAGLBSA-N -1 0 303.383 3.805 20 0 DHADRM CC(C)Oc1ccc(NCc2ccc(C(=O)[O-])[nH]2)c(Cl)c1 ZINC001591788404 975972615 /nfs/dbraw/zinc/97/26/15/975972615.db2.gz HFEXWLFXZQWFBA-UHFFFAOYSA-N -1 0 308.765 3.766 20 0 DHADRM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000668273502 975980727 /nfs/dbraw/zinc/98/07/27/975980727.db2.gz CFJSJKUBLUPFTN-OTYXRUKQSA-N -1 0 321.398 3.599 20 0 DHADRM Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1C(=O)[O-] ZINC000668277801 975983356 /nfs/dbraw/zinc/98/33/56/975983356.db2.gz QIVUEDHULUHRSB-UHFFFAOYSA-N -1 0 309.365 3.752 20 0 DHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccsc1Cl ZINC000668287391 975986556 /nfs/dbraw/zinc/98/65/56/975986556.db2.gz BBNMQAIAKVRNIV-LLVKDONJSA-N -1 0 315.822 3.555 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791821 975989874 /nfs/dbraw/zinc/98/98/74/975989874.db2.gz PHNHSWSJXPNIRC-VXGBXAGGSA-N -1 0 318.373 3.572 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccsc1 ZINC000676003300 976027029 /nfs/dbraw/zinc/02/70/29/976027029.db2.gz ZWQOMGPOCBDFRV-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000678975757 976033473 /nfs/dbraw/zinc/03/34/73/976033473.db2.gz NIRAFDOXLCEZEH-STQMWFEESA-N -1 0 315.394 3.805 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000678975755 976033575 /nfs/dbraw/zinc/03/35/75/976033575.db2.gz NIRAFDOXLCEZEH-QWHCGFSZSA-N -1 0 315.394 3.805 20 0 DHADRM C[C@@H](CC(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000681680532 976071359 /nfs/dbraw/zinc/07/13/59/976071359.db2.gz LWVMXGGTKZSBPU-NSHDSACASA-N -1 0 301.317 3.656 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)s1 ZINC000682621318 976075893 /nfs/dbraw/zinc/07/58/93/976075893.db2.gz QQTIMSPVTRTHSO-UHFFFAOYSA-N -1 0 303.383 3.932 20 0 DHADRM CC(C)S[C@H]1CCCC[C@@H]1OC(=O)c1cc(C(=O)[O-])co1 ZINC001591823644 976077633 /nfs/dbraw/zinc/07/76/33/976077633.db2.gz OLBUBSOPNGSRQC-AAEUAGOBSA-N -1 0 312.387 3.587 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000683302384 976083574 /nfs/dbraw/zinc/08/35/74/976083574.db2.gz QPMHSVJGMWUVGH-OAHLLOKOSA-N -1 0 303.402 3.550 20 0 DHADRM Cc1ccccc1CN(C)C(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000319962373 1014304942 /nfs/dbraw/zinc/30/49/42/1014304942.db2.gz HKAHDNXOJHFABS-UHFFFAOYSA-N -1 0 317.429 3.769 20 0 DHADRM CC(C)Sc1ccccc1NCc1ccc(C(=O)[O-])n1C ZINC001591829620 976094382 /nfs/dbraw/zinc/09/43/82/976094382.db2.gz TYHXYTRHNYWIHI-UHFFFAOYSA-N -1 0 304.415 3.836 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)NCc2oncc2C(=O)[O-])cc1 ZINC001591829706 976095179 /nfs/dbraw/zinc/09/51/79/976095179.db2.gz ZLBQWMVEFPBTOK-LLVKDONJSA-N -1 0 320.414 3.724 20 0 DHADRM Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)s1 ZINC000057826071 1014315756 /nfs/dbraw/zinc/31/57/56/1014315756.db2.gz VQBLSMRDUPANEX-GXDHUFHOSA-N -1 0 323.373 3.799 20 0 DHADRM CC(C)c1c[nH]c(C=C(C(=O)[O-])c2nc(C(C)(C)C)cs2)n1 ZINC001591922688 976397881 /nfs/dbraw/zinc/39/78/81/976397881.db2.gz FRFXQXUMAVVXCM-POHAHGRESA-N -1 0 319.430 3.912 20 0 DHADRM CC[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000261708550 1014328946 /nfs/dbraw/zinc/32/89/46/1014328946.db2.gz KTCSWYLBZIFMMP-QGZVFWFLSA-N -1 0 311.381 3.836 20 0 DHADRM CC(C)c1ccc(-c2noc(Cc3ccccc3C(=O)[O-])n2)cn1 ZINC001591943876 976485168 /nfs/dbraw/zinc/48/51/68/976485168.db2.gz WWJLUPUVYDKJNW-UHFFFAOYSA-N -1 0 323.352 3.544 20 0 DHADRM CC(C)c1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])nc1 ZINC001591947220 976489499 /nfs/dbraw/zinc/48/94/99/976489499.db2.gz IPSWAAKYHRTFLJ-UHFFFAOYSA-N -1 0 319.744 3.776 20 0 DHADRM CC(C)c1ccc([C@H](C)OC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC001591949630 976508364 /nfs/dbraw/zinc/50/83/64/976508364.db2.gz XVHNAHXRXWFVSD-LBPRGKRZSA-N -1 0 313.353 3.821 20 0 DHADRM CC(C)c1ccc([C@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001591949758 976509778 /nfs/dbraw/zinc/50/97/78/976509778.db2.gz ZHIKJEBCOHLWRZ-KRWDZBQOSA-N -1 0 317.410 3.552 20 0 DHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000580748083 1014332311 /nfs/dbraw/zinc/33/23/11/1014332311.db2.gz QULQQKAEXMKISJ-UHFFFAOYSA-N -1 0 323.439 3.825 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c(C(=O)[O-])c1 ZINC001591966026 976562230 /nfs/dbraw/zinc/56/22/30/976562230.db2.gz XQDZIFMFIUJMLC-CHWSQXEVSA-N -1 0 313.353 3.843 20 0 DHADRM CC(C)c1ccc(NC(=O)c2ccc(O)c(F)c2)c(C(=O)[O-])c1 ZINC001591968026 976565236 /nfs/dbraw/zinc/56/52/36/976565236.db2.gz HYFZLBJHXDAALI-UHFFFAOYSA-N -1 0 317.316 3.605 20 0 DHADRM CC(C)c1ccc([S@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001591974049 976583359 /nfs/dbraw/zinc/58/33/59/976583359.db2.gz POCFDFSEOUFEBY-JOCHJYFZSA-N -1 0 316.422 3.859 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001591974054 976583370 /nfs/dbraw/zinc/58/33/70/976583370.db2.gz PTLACOXOGDTEJF-SFHVURJKSA-N -1 0 323.392 3.926 20 0 DHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccccc1C(=O)[O-])C2 ZINC001591974288 976585897 /nfs/dbraw/zinc/58/58/97/976585897.db2.gz RINMIMHGJYJHRI-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1cccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001591982702 976599805 /nfs/dbraw/zinc/59/98/05/976599805.db2.gz AVHJMDFKVWETRN-UHFFFAOYSA-N -1 0 317.429 3.965 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])n1 ZINC001591983758 976604168 /nfs/dbraw/zinc/60/41/68/976604168.db2.gz RMPHRUVGZWKUJL-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001591984017 976605691 /nfs/dbraw/zinc/60/56/91/976605691.db2.gz WVGVXFQACHZLIR-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001591992219 976622415 /nfs/dbraw/zinc/62/24/15/976622415.db2.gz RSSMRLMZSDRGPT-UHFFFAOYSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)c1cnc(SCc2cccc(C(=O)[O-])n2)n1C1CC1 ZINC001592003109 976657991 /nfs/dbraw/zinc/65/79/91/976657991.db2.gz UORRIMYCVZHHEZ-UHFFFAOYSA-N -1 0 317.414 3.727 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)sc1C(=O)[O-] ZINC001592023053 976723750 /nfs/dbraw/zinc/72/37/50/976723750.db2.gz YQYLBPKAQIBJKJ-VPOLOUISSA-N -1 0 322.430 3.585 20 0 DHADRM CC(C)c1nc(NC(=O)CCC2CCCC2)sc1C(=O)[O-] ZINC001592023019 976723667 /nfs/dbraw/zinc/72/36/67/976723667.db2.gz WYPGEZQHYHXYCT-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC(C)c1nc2cc(NCc3cc(C(=O)[O-])n(C)c3)ccc2o1 ZINC001592030536 976737209 /nfs/dbraw/zinc/73/72/09/976737209.db2.gz SZIIIUMHUXHHGY-UHFFFAOYSA-N -1 0 313.357 3.600 20 0 DHADRM CC(C)c1nn(C)cc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592049897 976783194 /nfs/dbraw/zinc/78/31/94/976783194.db2.gz CZLVJDDEMLGVIP-UHFFFAOYSA-N -1 0 307.781 3.507 20 0 DHADRM CC(C)c1nsc(CSCc2ccccc2C(=O)[O-])n1 ZINC001592106454 976883879 /nfs/dbraw/zinc/88/38/79/976883879.db2.gz RKEMDERBPNRULL-UHFFFAOYSA-N -1 0 308.428 3.793 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592142657 976989915 /nfs/dbraw/zinc/98/99/15/976989915.db2.gz LBPANIKJFDHRTQ-UHFFFAOYSA-N -1 0 311.341 3.501 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)Nc1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC001592178233 977079804 /nfs/dbraw/zinc/07/98/04/977079804.db2.gz GHSYSBRBGGIFDQ-VIFPVBQESA-N -1 0 322.792 3.833 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000320076960 1014370244 /nfs/dbraw/zinc/37/02/44/1014370244.db2.gz NZMDQUZGXSBKEW-NAKBGQTNSA-N -1 0 311.312 3.575 20 0 DHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc21)C1CCCCC1 ZINC001592236347 977444029 /nfs/dbraw/zinc/44/40/29/977444029.db2.gz NYBJHEQEGHEUHW-CYBMUJFWSA-N -1 0 315.413 3.880 20 0 DHADRM CCCC[C@H](C(=O)[O-])N(C)Cc1cscc1Br ZINC000709850972 977471776 /nfs/dbraw/zinc/47/17/76/977471776.db2.gz QXXWYVXSJLAJSY-LLVKDONJSA-N -1 0 320.252 3.586 20 0 DHADRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C ZINC001592247056 977477460 /nfs/dbraw/zinc/47/74/60/977477460.db2.gz ZCMOSECBEGOUAO-ACJLOTCBSA-N -1 0 311.466 3.989 20 0 DHADRM CCC1(CC)CN(C(=O)c2ncc(C)cc2[O-])c2ccccc21 ZINC000427622116 1014427804 /nfs/dbraw/zinc/42/78/04/1014427804.db2.gz QDCHKCLOMAKTRM-UHFFFAOYSA-N -1 0 310.397 3.814 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000174924738 1014432185 /nfs/dbraw/zinc/43/21/85/1014432185.db2.gz CWJPWQIOTSFEKY-ZCFIWIBFSA-N -1 0 318.598 3.793 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001592365668 977866815 /nfs/dbraw/zinc/86/68/15/977866815.db2.gz ZZGUOQYEOVVDDQ-ZETCQYMHSA-N -1 0 324.682 3.513 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1cc(Cl)ccc1Cl ZINC001592367771 977873968 /nfs/dbraw/zinc/87/39/68/977873968.db2.gz UQVQKRNVBDNRKF-HTQZYQBOSA-N -1 0 305.157 3.708 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001592371221 977890652 /nfs/dbraw/zinc/89/06/52/977890652.db2.gz PUMWQOCIEVZXBL-KSSFIOAISA-N -1 0 315.413 3.631 20 0 DHADRM CC(C)c1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2o1 ZINC000032097596 1014437632 /nfs/dbraw/zinc/43/76/32/1014437632.db2.gz KFGBJJLEEXSMEY-UHFFFAOYSA-N -1 0 322.411 3.814 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001592387952 977931905 /nfs/dbraw/zinc/93/19/05/977931905.db2.gz IZCPBSYZRPKYTN-AWEZNQCLSA-N -1 0 317.429 3.851 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC001592395358 977952596 /nfs/dbraw/zinc/95/25/96/977952596.db2.gz VXEMUVXOHQATOF-ZDUSSCGKSA-N -1 0 312.369 3.870 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@H]1CCCc2ccc(Cl)cc21 ZINC001592403056 977971940 /nfs/dbraw/zinc/97/19/40/977971940.db2.gz SWKBYRUOXBODCR-HZMBPMFUSA-N -1 0 310.777 3.762 20 0 DHADRM CC(C)Sc1ccc(COC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC001592403046 977972420 /nfs/dbraw/zinc/97/24/20/977972420.db2.gz STCLDWQQJVWQFE-LBPRGKRZSA-N -1 0 310.415 3.731 20 0 DHADRM C[C@H](CC(=O)[O-])SC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001592422596 978036452 /nfs/dbraw/zinc/03/64/52/978036452.db2.gz SLUNXAGCDDJLCZ-HQJQHLMTSA-N -1 0 309.214 3.623 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1coc(-c2c(F)cccc2F)n1 ZINC001592422727 978038382 /nfs/dbraw/zinc/03/83/82/978038382.db2.gz XMFGQRGYBFAKAO-QMMMGPOBSA-N -1 0 313.325 3.716 20 0 DHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592434329 978073076 /nfs/dbraw/zinc/07/30/76/978073076.db2.gz XDVAOVMZTOHPIK-GFCCVEGCSA-N -1 0 316.328 3.761 20 0 DHADRM C[C@H](CCC(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001592471215 978229483 /nfs/dbraw/zinc/22/94/83/978229483.db2.gz WPLGTBLMKVXOPA-GFCCVEGCSA-N -1 0 302.326 3.605 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001592478184 978249757 /nfs/dbraw/zinc/24/97/57/978249757.db2.gz QBQIQLXHYNNCIJ-ZDUSSCGKSA-N -1 0 317.429 3.732 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001592478561 978252068 /nfs/dbraw/zinc/25/20/68/978252068.db2.gz TYGQDMDZRICDQR-CQSZACIVSA-N -1 0 311.466 3.990 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592492432 978287095 /nfs/dbraw/zinc/28/70/95/978287095.db2.gz TYTNSJDWUHYIOP-CQSZACIVSA-N -1 0 312.365 3.949 20 0 DHADRM C/C(=C/C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1Cl ZINC000736121268 978304187 /nfs/dbraw/zinc/30/41/87/978304187.db2.gz LIJZHJFDNCGCKU-NTMALXAHSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@@H](CCNC(=O)/C=C\c1cc(C(=O)[O-])co1)CC(C)(C)C ZINC001592512930 978340714 /nfs/dbraw/zinc/34/07/14/978340714.db2.gz KCBKDXXEWWXMSU-FJOGCWAESA-N -1 0 307.390 3.570 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC001592579437 978488841 /nfs/dbraw/zinc/48/88/41/978488841.db2.gz IIMGPUUNVFYZEE-LBPRGKRZSA-N -1 0 321.392 3.812 20 0 DHADRM Cc1ccc2c(CC(=O)Oc3ccc(C)cc3C(=O)[O-])coc2c1 ZINC000738640956 978580499 /nfs/dbraw/zinc/58/04/99/978580499.db2.gz QLDJLZYKUNURCQ-UHFFFAOYSA-N -1 0 324.332 3.896 20 0 DHADRM C[C@@H](CN1CCc2cc(C(=O)[O-])ccc21)c1cc(F)cc(F)c1 ZINC001592623947 978596962 /nfs/dbraw/zinc/59/69/62/978596962.db2.gz FOIVGGGLPUADKF-NSHDSACASA-N -1 0 317.335 3.829 20 0 DHADRM Cc1cc(C)c(/C=C/C(=O)NCCCCCCC(=O)[O-])cc1C ZINC000746368167 978684093 /nfs/dbraw/zinc/68/40/93/978684093.db2.gz XVNBRBOSSYZOIS-MDZDMXLPSA-N -1 0 317.429 3.776 20 0 DHADRM CC(C)[C@@H](NC(=O)CCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000753967992 978695479 /nfs/dbraw/zinc/69/54/79/978695479.db2.gz PFEBMTMGSAAALD-OAHLLOKOSA-N -1 0 315.772 3.547 20 0 DHADRM Cc1sc(/C=C\c2ccc(OCC(=O)[O-])cc2)cc1C=O ZINC000760262660 978705210 /nfs/dbraw/zinc/70/52/10/978705210.db2.gz CXUXVGJZTYMQQX-DAXSKMNVSA-N -1 0 302.351 3.503 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776646263 978765940 /nfs/dbraw/zinc/76/59/40/978765940.db2.gz IMBKQZXIMKONNP-NEPJUHHUSA-N -1 0 319.357 3.636 20 0 DHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811814341 978857868 /nfs/dbraw/zinc/85/78/68/978857868.db2.gz UWEABDJDINFTMS-NSHDSACASA-N -1 0 317.772 3.572 20 0 DHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816351 978860125 /nfs/dbraw/zinc/86/01/25/978860125.db2.gz UMBCLCAWTHWJHU-YGRLFVJLSA-N -1 0 309.793 3.689 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817630 978861716 /nfs/dbraw/zinc/86/17/16/978861716.db2.gz XGMKWXPMIWUXRQ-HFAKWTLXSA-N -1 0 321.804 3.831 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(Cl)s1 ZINC000830363675 979016557 /nfs/dbraw/zinc/01/65/57/979016557.db2.gz WXNFSOPLFOKIAW-UHFFFAOYSA-N -1 0 313.806 3.887 20 0 DHADRM CN(Cc1ccoc1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830864818 979022737 /nfs/dbraw/zinc/02/27/37/979022737.db2.gz CWRNHSSLIOTVQJ-CYBMUJFWSA-N -1 0 314.168 3.844 20 0 DHADRM CC[C@@H](C)n1nc(N[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001595023679 979118404 /nfs/dbraw/zinc/11/84/04/979118404.db2.gz KWMJITOUZOCTQL-BMIGLBTASA-N -1 0 305.353 3.539 20 0 DHADRM O=C([O-])NCCCC(=O)OCC1CCC(c2ccccc2)CC1 ZINC000833280036 979138889 /nfs/dbraw/zinc/13/88/89/979138889.db2.gz BMDTXZPTEXMHIL-UHFFFAOYSA-N -1 0 319.401 3.551 20 0 DHADRM CC[C@@H](C)n1ncc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001595027602 979145751 /nfs/dbraw/zinc/14/57/51/979145751.db2.gz ZEZXTFOSWQBCOV-MEBBXXQBSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595035237 979181975 /nfs/dbraw/zinc/18/19/75/979181975.db2.gz AWMRPVWVKHSRNX-RCQQVGEISA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595035284 979183277 /nfs/dbraw/zinc/18/32/77/979183277.db2.gz BVOZRFDTJDXSJI-ZBFHGGJFSA-N -1 0 305.418 3.561 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595036917 979201047 /nfs/dbraw/zinc/20/10/47/979201047.db2.gz ZXPXAFZTZGXDGN-JTQLQIEISA-N -1 0 312.435 3.516 20 0 DHADRM CC[C@H](CC(=O)Nc1cc(OC)ccc1C(=O)[O-])C(C)(C)C ZINC001595036961 979201282 /nfs/dbraw/zinc/20/12/82/979201282.db2.gz KKVYHNJBSVEATH-LLVKDONJSA-N -1 0 307.390 3.794 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC001595038945 979210498 /nfs/dbraw/zinc/21/04/98/979210498.db2.gz KXHWOFMRPRLMLW-SNVBAGLBSA-N -1 0 317.307 3.716 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595041669 979227448 /nfs/dbraw/zinc/22/74/48/979227448.db2.gz CJWFBWHDNBAVLV-BDAKNGLRSA-N -1 0 304.289 3.572 20 0 DHADRM C[C@@H](CNc1cccc(CC(=O)[O-])n1)c1cccc(Cl)c1 ZINC001592728842 979239235 /nfs/dbraw/zinc/23/92/35/979239235.db2.gz GKIFKDUTMNPELK-NSHDSACASA-N -1 0 304.777 3.578 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)COc1cccc(C(F)(F)F)c1 ZINC001595045412 979253344 /nfs/dbraw/zinc/25/33/44/979253344.db2.gz MYAIZYWSOGEPTG-UHFFFAOYSA-N -1 0 318.291 3.544 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1cc(C)c(C)cc1C ZINC001595049471 979272883 /nfs/dbraw/zinc/27/28/83/979272883.db2.gz LGYUSCOANVAFCA-CMDGGOBGSA-N -1 0 317.429 3.775 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C(C)C)cc1 ZINC001595050634 979279669 /nfs/dbraw/zinc/27/96/69/979279669.db2.gz VFYJPEBBBJUXTE-UHFFFAOYSA-N -1 0 306.406 3.965 20 0 DHADRM CCCCN(C)c1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000840994448 979292357 /nfs/dbraw/zinc/29/23/57/979292357.db2.gz CHCSLBMUMRHIMJ-UHFFFAOYSA-N -1 0 304.434 3.978 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(N3CCCC3)c(Cl)c2)CC1 ZINC000840994499 979292765 /nfs/dbraw/zinc/29/27/65/979292765.db2.gz VQPWBNKUMBNWQF-UHFFFAOYSA-N -1 0 322.836 3.996 20 0 DHADRM CCC(CC)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501117 979301334 /nfs/dbraw/zinc/30/13/34/979301334.db2.gz AOYRUBZXOFNBEM-UHFFFAOYSA-N -1 0 318.417 3.750 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000844245769 979390484 /nfs/dbraw/zinc/39/04/84/979390484.db2.gz ZGXWEMSWRXXXEF-KRWDZBQOSA-N -1 0 323.820 3.942 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)/C=C\C1CCCCCC1)c1cccs1 ZINC000846113438 979403670 /nfs/dbraw/zinc/40/36/70/979403670.db2.gz KSYMEJUOFVRWRU-CFYYFVFUSA-N -1 0 321.442 3.907 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595105235 979420574 /nfs/dbraw/zinc/42/05/74/979420574.db2.gz GFNNXQWAZMGNAV-UGSOOPFHSA-N -1 0 305.418 3.565 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595105455 979423045 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O=C([O-])/C=C\c1ccc(C(=O)N2CCCC3(CCCC3)CC2)o1 ZINC000851616529 979539248 /nfs/dbraw/zinc/53/92/48/979539248.db2.gz QIUYZBOPFREQRC-ALCCZGGFSA-N -1 0 317.385 3.564 20 0 DHADRM CC[C@H](CN1C[C@H](C(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001595130258 979541056 /nfs/dbraw/zinc/54/10/56/979541056.db2.gz WFSSYLPNAHEZNX-CRAIPNDOSA-N -1 0 309.409 3.944 20 0 DHADRM Cc1cc(NC(=O)CC[C@H]2CC2(Cl)Cl)ccc1C(=O)[O-] ZINC000851694842 979566552 /nfs/dbraw/zinc/56/65/52/979566552.db2.gz SIIZYIWIAOOARK-VIFPVBQESA-N -1 0 316.184 3.606 20 0 DHADRM CO[C@H](CSc1ncc(C)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000581143590 1014590632 /nfs/dbraw/zinc/59/06/32/1014590632.db2.gz XQFXJKOGDGTZQN-GFCCVEGCSA-N -1 0 310.806 3.624 20 0 DHADRM C[C@@H](CC1CCOCC1)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810050 979639421 /nfs/dbraw/zinc/63/94/21/979639421.db2.gz DNOUJRBBWLZIQA-ZDUSSCGKSA-N -1 0 305.418 3.666 20 0 DHADRM CC(C)[C@@H]1C[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CS1 ZINC000859819899 979653351 /nfs/dbraw/zinc/65/33/51/979653351.db2.gz 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ZINC000864193240 979851060 /nfs/dbraw/zinc/85/10/60/979851060.db2.gz NCVZVXIEBCLJOU-CYBMUJFWSA-N -1 0 307.390 3.591 20 0 DHADRM C[C@](CC(=O)[O-])(NC(=O)CCCCCc1cccs1)C1CC1 ZINC000864199863 979874861 /nfs/dbraw/zinc/87/48/61/979874861.db2.gz MSCAIXOZXMDSFJ-QGZVFWFLSA-N -1 0 323.458 3.611 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000864200290 979875788 /nfs/dbraw/zinc/87/57/88/979875788.db2.gz VGUJEUFNQOIAQN-VQIMIIECSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000864200287 979876126 /nfs/dbraw/zinc/87/61/26/979876126.db2.gz VGUJEUFNQOIAQN-APWZRJJASA-N -1 0 317.429 3.576 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000864202165 979881227 /nfs/dbraw/zinc/88/12/27/979881227.db2.gz OIQYGIFSAJIEER-BDAKNGLRSA-N -1 0 315.291 3.593 20 0 DHADRM CC(C)CO[C@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225858 979910777 /nfs/dbraw/zinc/91/07/77/979910777.db2.gz HOPUFSQDURYORL-GFCCVEGCSA-N -1 0 315.369 3.538 20 0 DHADRM CCCC[C@@](C)(F)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226426 979913068 /nfs/dbraw/zinc/91/30/68/979913068.db2.gz DVFGAYBEXZTBIF-YVEFUNNKSA-N -1 0 307.365 3.510 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595210955 979986624 /nfs/dbraw/zinc/98/66/24/979986624.db2.gz NCSVPCVZWUDGKP-HNNXBMFYSA-N -1 0 311.381 3.901 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595211146 979988944 /nfs/dbraw/zinc/98/89/44/979988944.db2.gz QGAQEYHCGWOXJB-ZDUSSCGKSA-N -1 0 317.410 3.962 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001592943761 980016827 /nfs/dbraw/zinc/01/68/27/980016827.db2.gz CTDNGPNQMULIRE-CHWSQXEVSA-N -1 0 312.312 3.599 20 0 DHADRM C[C@@H](N(Cc1ccccc1)C(=O)CCCC(=O)[O-])C(C)(C)C ZINC001592951159 980037019 /nfs/dbraw/zinc/03/70/19/980037019.db2.gz DNCYMNNFZKNYMK-CQSZACIVSA-N -1 0 305.418 3.705 20 0 DHADRM CC[C@@](NC(=O)[C@H](C)CCC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595232902 980127743 /nfs/dbraw/zinc/12/77/43/980127743.db2.gz LWUIPLJXLSJMHE-KUHUBIRLSA-N -1 0 319.445 3.955 20 0 DHADRM CC[C@@](NC(=O)[C@H]1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237817 980150401 /nfs/dbraw/zinc/15/04/01/980150401.db2.gz WFJWYERCWMZHOA-DYVFJYSZSA-N -1 0 323.820 3.582 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000971 980163116 /nfs/dbraw/zinc/16/31/16/980163116.db2.gz BYBVVXNOARVIPB-ZCFIWIBFSA-N -1 0 308.136 3.572 20 0 DHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1csc(C)c1 ZINC001595243172 980173061 /nfs/dbraw/zinc/17/30/61/980173061.db2.gz UQEMDFMFLZDDQL-OAHLLOKOSA-N -1 0 317.410 3.565 20 0 DHADRM O=C([O-])CC1CC(NC(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000899933332 980234749 /nfs/dbraw/zinc/23/47/49/980234749.db2.gz ONSGPMQWCLBPEP-UHFFFAOYSA-N -1 0 324.380 3.788 20 0 DHADRM Cc1cc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cnc1F ZINC000900035268 980237907 /nfs/dbraw/zinc/23/79/07/980237907.db2.gz GIVDXTABDHORFE-UHFFFAOYSA-N -1 0 318.348 3.627 20 0 DHADRM 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O=C([O-])C12CCC(C(=O)Nc3cccc4[nH]ccc43)(CC1)CC2 ZINC000908709313 981344264 /nfs/dbraw/zinc/34/42/64/981344264.db2.gz OFMDIOCEDKDQKE-UHFFFAOYSA-N -1 0 312.369 3.532 20 0 DHADRM CCCC(=CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)CCC ZINC001595522942 981346095 /nfs/dbraw/zinc/34/60/95/981346095.db2.gz ZVAFSEQWTULVGN-INIZCTEOSA-N -1 0 307.365 3.594 20 0 DHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000908826283 981369323 /nfs/dbraw/zinc/36/93/23/981369323.db2.gz BSYRPYHRISQRCN-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1CC(C)(C)C1 ZINC000908899274 981385102 /nfs/dbraw/zinc/38/51/02/981385102.db2.gz SJDXBDVEPORGDZ-UHFFFAOYSA-N -1 0 305.374 3.547 20 0 DHADRM CCC[C@H](C(=O)OCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595538597 981393387 /nfs/dbraw/zinc/39/33/87/981393387.db2.gz VSYLZGUYWDYHJN-HNNXBMFYSA-N -1 0 316.353 3.913 20 0 DHADRM CCC[C@@](C)(CC)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595542636 981404199 /nfs/dbraw/zinc/40/41/99/981404199.db2.gz WVDAHWDVSSBVMX-MOPGFXCFSA-N -1 0 319.445 3.752 20 0 DHADRM CCC[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595542659 981404382 /nfs/dbraw/zinc/40/43/82/981404382.db2.gz XAEOAYCVFWSCGA-FZKQIMNGSA-N -1 0 321.417 3.544 20 0 DHADRM CCC[C@](C)(CC)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595542638 981404389 /nfs/dbraw/zinc/40/43/89/981404389.db2.gz WVDAHWDVSSBVMX-RBUKOAKNSA-N -1 0 319.445 3.752 20 0 DHADRM CCC[C@](C)(NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595547710 981422287 /nfs/dbraw/zinc/42/22/87/981422287.db2.gz UCBIUPKEEVYMPU-MJVIPROJSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@](C)(NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595547714 981422289 /nfs/dbraw/zinc/42/22/89/981422289.db2.gz UCBIUPKEEVYMPU-WDMOLILDSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@@](C)(NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001595553625 981430906 /nfs/dbraw/zinc/43/09/06/981430906.db2.gz QAYMWBYJQXKCQY-GOSISDBHSA-N -1 0 315.369 3.732 20 0 DHADRM CC/C(C)=C\C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224967 981437425 /nfs/dbraw/zinc/43/74/25/981437425.db2.gz XGADTNLUWZWXSC-XFXZXTDPSA-N -1 0 307.415 3.689 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595567047 981465469 /nfs/dbraw/zinc/46/54/69/981465469.db2.gz VWVKSVXUVKXJRI-FWFZHJKVSA-N -1 0 311.381 3.828 20 0 DHADRM CCCCC[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000909341531 981471561 /nfs/dbraw/zinc/47/15/61/981471561.db2.gz HLMKPAZPBULTQQ-HTAVTVPLSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001595579816 981511268 /nfs/dbraw/zinc/51/12/68/981511268.db2.gz TXYFEDUHBSTTMC-SNVBAGLBSA-N -1 0 316.361 3.656 20 0 DHADRM COC1CCC(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC000909512440 981519966 /nfs/dbraw/zinc/51/99/66/981519966.db2.gz DQGPMTLKQMLTGM-UHFFFAOYSA-N -1 0 319.401 3.535 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1coc(C2CCC2)n1 ZINC000909513662 981521260 /nfs/dbraw/zinc/52/12/60/981521260.db2.gz SIKYWIONIJFWJL-UHFFFAOYSA-N -1 0 314.341 3.509 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000909517177 981523851 /nfs/dbraw/zinc/52/38/51/981523851.db2.gz RKOZRMYMBUBHJR-CYBMUJFWSA-N -1 0 319.401 3.535 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595586195 981529729 /nfs/dbraw/zinc/52/97/29/981529729.db2.gz RMOOMBPTAOXGEX-BIENJYKASA-N -1 0 317.429 3.806 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595586198 981530005 /nfs/dbraw/zinc/53/00/05/981530005.db2.gz RMOOMBPTAOXGEX-TYILLQQXSA-N -1 0 317.429 3.806 20 0 DHADRM CC(C)(CC(=O)NCC1(C(=O)[O-])CCCCC1)CC(F)(F)F ZINC000909527321 981532357 /nfs/dbraw/zinc/53/23/57/981532357.db2.gz ZGCAYNGXLBXYIH-UHFFFAOYSA-N -1 0 323.355 3.506 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595586920 981537242 /nfs/dbraw/zinc/53/72/42/981537242.db2.gz VGGBDBFWNCYCNQ-INIZCTEOSA-N -1 0 305.418 3.762 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595587336 981541209 /nfs/dbraw/zinc/54/12/09/981541209.db2.gz JEPJFVBJLPMEPT-GFCCVEGCSA-N -1 0 324.446 3.954 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC001595587538 981542273 /nfs/dbraw/zinc/54/22/73/981542273.db2.gz PVWJPSAIDRZQLP-AWEZNQCLSA-N -1 0 321.417 3.981 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595587474 981542473 /nfs/dbraw/zinc/54/24/73/981542473.db2.gz NTMIMHURGYXCSR-RCJHGTSTSA-N -1 0 321.461 3.743 20 0 DHADRM CCC[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)C(C)(C)C ZINC001595600456 981580499 /nfs/dbraw/zinc/58/04/99/981580499.db2.gz PYQGKSWXHQUTIF-CYBMUJFWSA-N -1 0 312.454 3.536 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001594741104 981609805 /nfs/dbraw/zinc/60/98/05/981609805.db2.gz UUMLRGNRSAXTEQ-JKSUJKDBSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@]1(CC)CCc1ccccc1 ZINC001594742403 981617144 /nfs/dbraw/zinc/61/71/44/981617144.db2.gz BIINARXYKCKZKO-VQIMIIECSA-N -1 0 317.429 3.501 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001594746704 981634550 /nfs/dbraw/zinc/63/45/50/981634550.db2.gz AGMUNYOCQIUXPZ-HOTGVXAUSA-N -1 0 319.445 3.908 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001594747884 981640921 /nfs/dbraw/zinc/64/09/21/981640921.db2.gz MBQHLUBJCJTVQB-GJZGRUSLSA-N -1 0 323.820 3.798 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595617480 981653712 /nfs/dbraw/zinc/65/37/12/981653712.db2.gz NQGGXCJNWSCVQX-LSDHHAIUSA-N -1 0 309.450 3.839 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595617479 981653927 /nfs/dbraw/zinc/65/39/27/981653927.db2.gz NQGGXCJNWSCVQX-HUUCEWRRSA-N -1 0 309.450 3.839 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909837500 981658122 /nfs/dbraw/zinc/65/81/22/981658122.db2.gz WSZWIBVVZHHWMG-LLVKDONJSA-N -1 0 324.380 3.708 20 0 DHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cc(F)cc(F)c1 ZINC000442853632 1014754864 /nfs/dbraw/zinc/75/48/64/1014754864.db2.gz UZAZVVJPKDWJRC-UHFFFAOYSA-N -1 0 309.293 3.512 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595621402 981699393 /nfs/dbraw/zinc/69/93/93/981699393.db2.gz HTGWRKCWFNFQLD-DOTOQJQBSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595621405 981699638 /nfs/dbraw/zinc/69/96/38/981699638.db2.gz HTGWRKCWFNFQLD-WBVHZDCISA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595621607 981701765 /nfs/dbraw/zinc/70/17/65/981701765.db2.gz LQQGDSCHVUIPJA-GXSJLCMTSA-N -1 0 310.781 3.588 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595622412 981709742 /nfs/dbraw/zinc/70/97/42/981709742.db2.gz SQYOPSUFTPSJSS-OMGLFLRBSA-N -1 0 321.461 3.744 20 0 DHADRM CC(C)(C)C1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)C1 ZINC000909963658 981716774 /nfs/dbraw/zinc/71/67/74/981716774.db2.gz ZPFMJKLZCCPGPM-NCOXYXGASA-N -1 0 321.461 3.551 20 0 DHADRM CC(C)(C)C1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)C1 ZINC000909963660 981716837 /nfs/dbraw/zinc/71/68/37/981716837.db2.gz ZPFMJKLZCCPGPM-XJCPWDRGSA-N -1 0 321.461 3.551 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)C=C1CCCCC1)c1ccccc1 ZINC001594767087 981724372 /nfs/dbraw/zinc/72/43/72/981724372.db2.gz ASAMIXNFINTIAJ-INIZCTEOSA-N -1 0 301.386 3.773 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccc1 ZINC001594767480 981725916 /nfs/dbraw/zinc/72/59/16/981725916.db2.gz GZJXRSHMAAVOFN-KLZNWCGWSA-N -1 0 317.429 3.955 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C1\CC[C@H](C)C1)c1ccccc1 ZINC001594768462 981730872 /nfs/dbraw/zinc/73/08/72/981730872.db2.gz YWTUUCQCYOJUNQ-RJSCWCNHSA-N -1 0 301.386 3.629 20 0 DHADRM CCCC[C@@H](C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)C(C)C ZINC001595627419 981772299 /nfs/dbraw/zinc/77/22/99/981772299.db2.gz FADVRQMPXSROEL-GFCCVEGCSA-N -1 0 324.446 3.799 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001594782112 981788674 /nfs/dbraw/zinc/78/86/74/981788674.db2.gz NJXCPIPHOCUKSS-IFXJQAMLSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1cccc(C)c1 ZINC001594782113 981788967 /nfs/dbraw/zinc/78/89/67/981788967.db2.gz NJXCPIPHOCUKSS-KUHUBIRLSA-N -1 0 317.429 3.590 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)CC ZINC000910233537 981797168 /nfs/dbraw/zinc/79/71/68/981797168.db2.gz OEIPZMJUYMRNBG-QRYGKKFUSA-N -1 0 321.348 3.529 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001595631409 981837848 /nfs/dbraw/zinc/83/78/48/981837848.db2.gz PHBAPCATXZZQIA-MRVPVSSYSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595631821 981845227 /nfs/dbraw/zinc/84/52/27/981845227.db2.gz FRTUYIZGUTUNDN-VIFPVBQESA-N -1 0 313.781 3.899 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595631868 981846271 /nfs/dbraw/zinc/84/62/71/981846271.db2.gz HGCICAIHMRXHQW-GDBMZVCRSA-N -1 0 305.418 3.762 20 0 DHADRM CCCC[C@H](CC)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595632090 981849522 /nfs/dbraw/zinc/84/95/22/981849522.db2.gz RICJALLNHVKQHI-MARXPDLDSA-N -1 0 320.385 3.915 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC000910298355 981852837 /nfs/dbraw/zinc/85/28/37/981852837.db2.gz LRWOAQNWJSYLQU-JKSUJKDBSA-N -1 0 324.380 3.645 20 0 DHADRM CCCC[C@H](CC)CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595632661 981859255 /nfs/dbraw/zinc/85/92/55/981859255.db2.gz MHVPIHJKONUELK-LBPRGKRZSA-N -1 0 324.396 3.540 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594794340 981869551 /nfs/dbraw/zinc/86/95/51/981869551.db2.gz IWPYOOBDGBCECO-SECBINFHSA-N -1 0 312.797 3.984 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594794484 981871689 /nfs/dbraw/zinc/87/16/89/981871689.db2.gz MZUQIPGVWHTDEB-TUKIKUTGSA-N -1 0 318.417 3.821 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595633523 981872964 /nfs/dbraw/zinc/87/29/64/981872964.db2.gz MWCMZRAAAPLIBN-OAHLLOKOSA-N -1 0 305.418 3.793 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](C)/C=C/C(=O)[O-])CC1 ZINC001594796491 981876385 /nfs/dbraw/zinc/87/63/85/981876385.db2.gz AZTUNYIFGHIQRG-HEPSUIMCSA-N -1 0 321.461 3.765 20 0 DHADRM CCCC[C@@H](NC(=O)C1(c2ccccc2C)CCCC1)C(=O)[O-] ZINC001595635028 981896684 /nfs/dbraw/zinc/89/66/84/981896684.db2.gz SIIPRQXCQCZAFV-MRXNPFEDSA-N -1 0 317.429 3.566 20 0 DHADRM CCCC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)C1CCC1 ZINC001595636328 981915256 /nfs/dbraw/zinc/91/52/56/981915256.db2.gz MVDWEXOTDMRCMW-AWEZNQCLSA-N -1 0 320.433 3.672 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC000910395273 981917519 /nfs/dbraw/zinc/91/75/19/981917519.db2.gz ZWXSFVGISGGIAU-CYBMUJFWSA-N -1 0 303.383 3.773 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001594814026 981936394 /nfs/dbraw/zinc/93/63/94/981936394.db2.gz DJDHVNVPVQYOMY-IBGZPJMESA-N -1 0 317.429 3.701 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC001594815679 981944396 /nfs/dbraw/zinc/94/43/96/981944396.db2.gz JUIPHJVPTDBVLY-UHFFFAOYSA-N -1 0 306.406 3.607 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001594816288 981949648 /nfs/dbraw/zinc/94/96/48/981949648.db2.gz CQOCRSTVVPPXQF-ADYPVZHUSA-N -1 0 317.429 3.757 20 0 DHADRM CCCC[C@@H](N[C@@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638768 981950706 /nfs/dbraw/zinc/95/07/06/981950706.db2.gz DYXVPHFDZSRAFX-RHSMWYFYSA-N -1 0 317.385 3.611 20 0 DHADRM CCCC[C@@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001595646423 981998629 /nfs/dbraw/zinc/99/86/29/981998629.db2.gz PVELFBWEAYBGIM-GFCCVEGCSA-N -1 0 305.296 3.683 20 0 DHADRM CCCC[C@H](S[C@@H](C)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001595651287 982019787 /nfs/dbraw/zinc/01/97/87/982019787.db2.gz DTZCARHWYQTQDA-CABZTGNLSA-N -1 0 300.376 3.504 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C)=C1CCCC1 ZINC000910622891 982031510 /nfs/dbraw/zinc/03/15/10/982031510.db2.gz YCVDSOUOHLAKLN-UHFFFAOYSA-N -1 0 303.358 3.613 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595652542 982035087 /nfs/dbraw/zinc/03/50/87/982035087.db2.gz VGMVIHJWCGZPEK-NFAWXSAZSA-N -1 0 323.458 3.629 20 0 DHADRM CCCC[C@@H](SCC(=O)c1c[nH]c2ccc(F)cc21)C(=O)[O-] ZINC001595654565 982041109 /nfs/dbraw/zinc/04/11/09/982041109.db2.gz DUSBMQYFCBZURT-OAHLLOKOSA-N -1 0 323.389 3.866 20 0 DHADRM CCCC[C@@H](SCc1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC001595654846 982041599 /nfs/dbraw/zinc/04/15/99/982041599.db2.gz FTLHIEHNBUFHHU-CYBMUJFWSA-N -1 0 314.403 3.505 20 0 DHADRM CCCC[C@@H](SC[C@H](O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595656413 982053456 /nfs/dbraw/zinc/05/34/56/982053456.db2.gz YDXOOGWRLYWSCV-QWHCGFSZSA-N -1 0 302.823 3.750 20 0 DHADRM CCCCC1(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001595656897 982056574 /nfs/dbraw/zinc/05/65/74/982056574.db2.gz HMIMOLLTVKBFNN-ZDUSSCGKSA-N -1 0 303.402 3.859 20 0 DHADRM CCCC[C@H](Sc1cccc(Br)n1)C(=O)[O-] ZINC001595657942 982067771 /nfs/dbraw/zinc/06/77/71/982067771.db2.gz VRRQWFCTDIDJPD-QMMMGPOBSA-N -1 0 304.209 3.580 20 0 DHADRM CCc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910697712 982069147 /nfs/dbraw/zinc/06/91/47/982069147.db2.gz WKTSHNATFRIPJA-UHFFFAOYSA-N -1 0 324.427 3.841 20 0 DHADRM CCCCC1CCC(C(=O)Nc2cccc(C(=O)[O-])c2N)CC1 ZINC001595660311 982069265 /nfs/dbraw/zinc/06/92/65/982069265.db2.gz CWFWGABNSPTUKL-UHFFFAOYSA-N -1 0 318.417 3.902 20 0 DHADRM CCCCC1CCC(NC(=O)c2ccsc2CC(=O)[O-])CC1 ZINC001595660269 982069366 /nfs/dbraw/zinc/06/93/66/982069366.db2.gz CIDIUKCQKNQNDF-UHFFFAOYSA-N -1 0 323.458 3.854 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699389 982070031 /nfs/dbraw/zinc/07/00/31/982070031.db2.gz ACPWHHGRVQBHSZ-CLFYSBASSA-N -1 0 310.419 3.896 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C2/CC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910700935 982071040 /nfs/dbraw/zinc/07/10/40/982071040.db2.gz MWERBMZYSGUGMU-SBMLRHLQSA-N -1 0 308.403 3.650 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595661454 982076250 /nfs/dbraw/zinc/07/62/50/982076250.db2.gz UIFPPUWPKKIHPJ-SWLSCSKDSA-N -1 0 304.390 3.865 20 0 DHADRM CC[C@H](C)CCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910725168 982090132 /nfs/dbraw/zinc/09/01/32/982090132.db2.gz VYKQRTBRQAITDM-JQWIXIFHSA-N -1 0 324.446 3.640 20 0 DHADRM CC(C)CC1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCC1 ZINC000910730913 982092970 /nfs/dbraw/zinc/09/29/70/982092970.db2.gz FGCVSJVQKPNETN-UHFFFAOYSA-N -1 0 322.430 3.874 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595665981 982095764 /nfs/dbraw/zinc/09/57/64/982095764.db2.gz AJYIBJHICXMTDX-SJKOYZFVSA-N -1 0 323.408 3.983 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595666673 982105522 /nfs/dbraw/zinc/10/55/22/982105522.db2.gz QDGFJWBKJNXVBZ-GOSISDBHSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595669402 982113027 /nfs/dbraw/zinc/11/30/27/982113027.db2.gz HOVUBPWETOQDIK-CYBMUJFWSA-N -1 0 309.381 3.850 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595670672 982120099 /nfs/dbraw/zinc/12/00/99/982120099.db2.gz STAMRIIFFIVJGZ-ZBFHGGJFSA-N -1 0 317.429 3.883 20 0 DHADRM CC/C(C)=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594860541 982138549 /nfs/dbraw/zinc/13/85/49/982138549.db2.gz JLWULWFGFHRYQH-KVNDZABWSA-N -1 0 317.429 3.972 20 0 DHADRM CCCCC[C@@H](NC(=O)OCc1cccc(Cl)c1)C(=O)[O-] ZINC001595673269 982140602 /nfs/dbraw/zinc/14/06/02/982140602.db2.gz VAPCGEJIZSIZCO-CYBMUJFWSA-N -1 0 313.781 3.600 20 0 DHADRM CCCCC[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)[O-] ZINC001595673453 982143094 /nfs/dbraw/zinc/14/30/94/982143094.db2.gz XRIATCDEZAKNBR-ZDUSSCGKSA-N -1 0 313.781 3.600 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-] ZINC001595677650 982152233 /nfs/dbraw/zinc/15/22/33/982152233.db2.gz ZIZXYUQGEMYUAQ-BZUAXINKSA-N -1 0 309.450 3.743 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC001595677671 982152438 /nfs/dbraw/zinc/15/24/38/982152438.db2.gz ZXVWBRHGIMPBMI-AWEZNQCLSA-N -1 0 316.401 3.548 20 0 DHADRM CC[C@H](C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594865373 982166877 /nfs/dbraw/zinc/16/68/77/982166877.db2.gz FSIHKCWVGNLMAB-VIFPVBQESA-N -1 0 315.822 3.891 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1CCC(F)(F)CC1 ZINC000910955506 982176134 /nfs/dbraw/zinc/17/61/34/982176134.db2.gz TWLVFTIEQLHASC-UHFFFAOYSA-N -1 0 311.328 3.711 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccsc1 ZINC000910961853 982180087 /nfs/dbraw/zinc/18/00/87/982180087.db2.gz MGNVIYGBVTVWBM-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001594873416 982193498 /nfs/dbraw/zinc/19/34/98/982193498.db2.gz MMBNULMSAYPNTG-MLGOLLRUSA-N -1 0 316.353 3.851 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595690457 982196300 /nfs/dbraw/zinc/19/63/00/982196300.db2.gz OEKUKAVJESITCB-HNNXBMFYSA-N -1 0 303.402 3.878 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594874687 982203116 /nfs/dbraw/zinc/20/31/16/982203116.db2.gz WWUFCQDSMOFCRV-ZIAGYGMSSA-N -1 0 305.418 3.561 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001594877953 982220706 /nfs/dbraw/zinc/22/07/06/982220706.db2.gz SGZVQPAGMDJYCV-MKBNYLNASA-N -1 0 324.490 3.589 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001594877954 982221158 /nfs/dbraw/zinc/22/11/58/982221158.db2.gz SGZVQPAGMDJYCV-MQIPJXDCSA-N -1 0 324.490 3.589 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)[O-])N1CC[C@H](CCOC)c2ccccc21 ZINC001594878857 982226760 /nfs/dbraw/zinc/22/67/60/982226760.db2.gz YQKMEUOIGIBYRH-VBQJREDUSA-N -1 0 305.418 3.516 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595697194 982238799 /nfs/dbraw/zinc/23/87/99/982238799.db2.gz HUWIMIZMLOPLKP-CYBMUJFWSA-N -1 0 308.422 3.782 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595699234 982257373 /nfs/dbraw/zinc/25/73/73/982257373.db2.gz YNNSJASGZDSMST-GFCCVEGCSA-N -1 0 324.396 3.933 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594887762 982275563 /nfs/dbraw/zinc/27/55/63/982275563.db2.gz UPPYUKTWHIRLQH-LKCQJKFCSA-N -1 0 317.429 3.829 20 0 DHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595708726 982286624 /nfs/dbraw/zinc/28/66/24/982286624.db2.gz DNJGOSNQWHXJBJ-JKSUJKDBSA-N -1 0 321.417 3.608 20 0 DHADRM CCCCCN(Cc1ccc(F)cc1)c1cc(C(=O)[O-])ncn1 ZINC001595716234 982319615 /nfs/dbraw/zinc/31/96/15/982319615.db2.gz SWBNKEBBKIGVTM-UHFFFAOYSA-N -1 0 317.364 3.511 20 0 DHADRM CCCCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC001595731708 982364134 /nfs/dbraw/zinc/36/41/34/982364134.db2.gz FPWMFAXMXUSYSN-UHFFFAOYSA-N -1 0 315.373 3.663 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H](C)c1ccc(C)o1 ZINC001595731823 982364765 /nfs/dbraw/zinc/36/47/65/982364765.db2.gz IRXGYKDIXAFGEQ-LBPRGKRZSA-N -1 0 318.373 3.618 20 0 DHADRM CCCCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001595735245 982376699 /nfs/dbraw/zinc/37/66/99/982376699.db2.gz AOLLZKTVFYXWSF-UHFFFAOYSA-N -1 0 301.342 3.733 20 0 DHADRM Cc1nc(-c2ccccc2NC(=O)C[C@@H](C)CC(=O)[O-])cs1 ZINC000911373520 982391291 /nfs/dbraw/zinc/39/12/91/982391291.db2.gz CMGXFSOKXZKWHJ-SNVBAGLBSA-N -1 0 318.398 3.558 20 0 DHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1(C)C ZINC000911506082 982462882 /nfs/dbraw/zinc/46/28/82/982462882.db2.gz ZOKYFOJWNADPBP-GFCCVEGCSA-N -1 0 321.417 3.584 20 0 DHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001594928700 982540623 /nfs/dbraw/zinc/54/06/23/982540623.db2.gz LYVDUXHUJYWNEI-MEDUHNTESA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)[O-] ZINC001594929270 982547243 /nfs/dbraw/zinc/54/72/43/982547243.db2.gz RKMGRVDIXONUHQ-AAEUAGOBSA-N -1 0 319.430 3.556 20 0 DHADRM CC[C@@H](C)C[C@H](CC)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594934429 982579079 /nfs/dbraw/zinc/57/90/79/982579079.db2.gz IFUPBAQCJGWRLF-OCCSQVGLSA-N -1 0 303.406 3.748 20 0 DHADRM CCCCS[C@H](C)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595789337 982588524 /nfs/dbraw/zinc/58/85/24/982588524.db2.gz VSCRYRVXTNKYFP-GFCCVEGCSA-N -1 0 324.442 3.876 20 0 DHADRM CCCCSCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595792510 982593306 /nfs/dbraw/zinc/59/33/06/982593306.db2.gz UHBLUQIGVSPSFP-UHFFFAOYSA-N -1 0 314.378 3.661 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001594943059 982621747 /nfs/dbraw/zinc/62/17/47/982621747.db2.gz UKTCBABHCAMZLG-DYVFJYSZSA-N -1 0 317.429 3.502 20 0 DHADRM CCCCc1noc(CSCc2ccccc2C(=O)[O-])n1 ZINC001595803089 982623212 /nfs/dbraw/zinc/62/32/12/982623212.db2.gz SJTGUXKKIXIAHD-UHFFFAOYSA-N -1 0 306.387 3.544 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(SC2CC2)cc1)C(=O)[O-] ZINC001594945927 982636502 /nfs/dbraw/zinc/63/65/02/982636502.db2.gz JOLYZQNMJBEMCI-NHYWBVRUSA-N -1 0 321.442 3.560 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001594946867 982644318 /nfs/dbraw/zinc/64/43/18/982644318.db2.gz SXCMSCCAWVTUDX-GUYCJALGSA-N -1 0 315.413 3.873 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594946938 982645251 /nfs/dbraw/zinc/64/52/51/982645251.db2.gz UTWBEYNEUHRPKY-CJNGLKHVSA-N -1 0 305.418 3.504 20 0 DHADRM CCCCn1ncc(NCc2cccc(C(=O)[O-])n2)c1C(C)C ZINC001595810468 982645714 /nfs/dbraw/zinc/64/57/14/982645714.db2.gz KRNCIHBRFMKPMO-UHFFFAOYSA-N -1 0 316.405 3.512 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001594950257 982658893 /nfs/dbraw/zinc/65/88/93/982658893.db2.gz WLTXJCNFRGEMRV-RNCFNFMXSA-N -1 0 323.776 3.705 20 0 DHADRM O=C(/C=C\c1ccco1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000914779577 982659090 /nfs/dbraw/zinc/65/90/90/982659090.db2.gz SYABPLQKHGGGSR-XQRVVYSFSA-N -1 0 313.334 3.844 20 0 DHADRM CC[C@@H](C)C[C@@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC001594952243 982665624 /nfs/dbraw/zinc/66/56/24/982665624.db2.gz GSLBHRDSTYMOBF-BXKDBHETSA-N -1 0 323.343 3.869 20 0 DHADRM CCCN(C(=O)C[C@H](c1ccccc1)C(C)C)[C@H](C)C(=O)[O-] ZINC001595815742 982666812 /nfs/dbraw/zinc/66/68/12/982666812.db2.gz BRLCGXLDGVJVRZ-ZBFHGGJFSA-N -1 0 305.418 3.528 20 0 DHADRM CC[C@@H](C)CCC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001594952402 982668932 /nfs/dbraw/zinc/66/89/32/982668932.db2.gz IISWPFLBZKDJPN-GFCCVEGCSA-N -1 0 303.402 3.799 20 0 DHADRM CCCN(C(=O)C[C@H](C)CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595817490 982680385 /nfs/dbraw/zinc/68/03/85/982680385.db2.gz SMFSIFNSBGCGPU-GOEBONIOSA-N -1 0 305.418 3.877 20 0 DHADRM CCCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595817489 982680509 /nfs/dbraw/zinc/68/05/09/982680509.db2.gz SMFSIFNSBGCGPU-GDBMZVCRSA-N -1 0 305.418 3.877 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001594958660 982699911 /nfs/dbraw/zinc/69/99/11/982699911.db2.gz FBQBMICFLCFBSI-SUMWQHHRSA-N -1 0 317.429 3.944 20 0 DHADRM CC[C@@H](C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594959116 982703546 /nfs/dbraw/zinc/70/35/46/982703546.db2.gz LPNBIGAEOVUUMX-HIFRSBDPSA-N -1 0 320.433 3.574 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594959198 982704494 /nfs/dbraw/zinc/70/44/94/982704494.db2.gz NZGJRQPQWYIVCQ-CQSZACIVSA-N -1 0 305.418 3.536 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001594959206 982704685 /nfs/dbraw/zinc/70/46/85/982704685.db2.gz OCMSWYPYKRCJBT-NSHDSACASA-N -1 0 307.390 3.944 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001594959343 982706016 /nfs/dbraw/zinc/70/60/16/982706016.db2.gz RMGIQRUQQVKRQK-RHSMWYFYSA-N -1 0 319.445 3.886 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001594959506 982707711 /nfs/dbraw/zinc/70/77/11/982707711.db2.gz WDZIWGZEQAVIET-PBHICJAKSA-N -1 0 317.429 3.631 20 0 DHADRM CCCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC001595827665 982713557 /nfs/dbraw/zinc/71/35/57/982713557.db2.gz WCHKWUHNRLSFBT-CQSZACIVSA-N -1 0 311.381 3.679 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCO[C@H](C)CC(C)C ZINC000923090757 982716554 /nfs/dbraw/zinc/71/65/54/982716554.db2.gz KIHFUZXIXHYYLT-SNVBAGLBSA-N -1 0 313.419 3.535 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(C2CC2)nc1C ZINC000923097655 982721632 /nfs/dbraw/zinc/72/16/32/982721632.db2.gz LIHVBACFJFTQFV-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM CC[C@H](C)N(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594966843 982724815 /nfs/dbraw/zinc/72/48/15/982724815.db2.gz FIMDIYUJNLYWKF-JTQLQIEISA-N -1 0 324.446 3.977 20 0 DHADRM CCCN(C)c1ccccc1NCc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001595839498 982753073 /nfs/dbraw/zinc/75/30/73/982753073.db2.gz GZDSWNYJGGCIBY-UHFFFAOYSA-N -1 0 315.417 3.734 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cc(C)cc(C)c2)C(C(=O)[O-])=C1C ZINC001594985617 982805423 /nfs/dbraw/zinc/80/54/23/982805423.db2.gz WGBSDCVVUUEEBE-WBMJQRKESA-N -1 0 316.401 3.527 20 0 DHADRM O=C([O-])CCC1(NC(=O)c2cc3ccsc3[nH]2)CCCCC1 ZINC000923215106 982847511 /nfs/dbraw/zinc/84/75/11/982847511.db2.gz XDANOXTYLUDYGW-UHFFFAOYSA-N -1 0 320.414 3.527 20 0 DHADRM CCCN(CCC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595873104 982860823 /nfs/dbraw/zinc/86/08/23/982860823.db2.gz 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ZINC001262158463 983038173 /nfs/dbraw/zinc/03/81/73/983038173.db2.gz LOTDDOJYWWKQAD-CYBMUJFWSA-N -1 0 301.390 3.564 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1C ZINC000443419466 1014908552 /nfs/dbraw/zinc/90/85/52/1014908552.db2.gz RQDYAUGZPUPYPW-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM CCCNc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001595936752 983078519 /nfs/dbraw/zinc/07/85/19/983078519.db2.gz OAQRLVOTSWWIBF-NSHDSACASA-N -1 0 319.430 3.514 20 0 DHADRM Cc1nc(SCc2c(F)cccc2F)[nH]c(=O)c1C1CC1 ZINC000631023174 1014911536 /nfs/dbraw/zinc/91/15/36/1014911536.db2.gz KHISKKRDTULNBP-UHFFFAOYSA-N -1 0 308.353 3.939 20 0 DHADRM CCCOc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1Cl ZINC001595966464 983172843 /nfs/dbraw/zinc/17/28/43/983172843.db2.gz LAUOFKVOQXJRQE-UHFFFAOYSA-N -1 0 322.792 3.778 20 0 DHADRM CCCOc1ccc(N[C@@H](C)c2nc(C(=O)[O-])co2)cc1Cl ZINC001595966669 983173140 /nfs/dbraw/zinc/17/31/40/983173140.db2.gz NTJWYZWJVULJJY-VIFPVBQESA-N -1 0 324.764 3.988 20 0 DHADRM CCCOc1cccc(COc2ccc(C(=O)[O-])cc2OC)c1 ZINC001595969546 983191405 /nfs/dbraw/zinc/19/14/05/983191405.db2.gz ONYMGKIMLVJBTG-UHFFFAOYSA-N -1 0 316.353 3.761 20 0 DHADRM CCCSc1ccc(COC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001595987884 983240876 /nfs/dbraw/zinc/24/08/76/983240876.db2.gz RWXQFCRMTHROOI-UHFFFAOYSA-N -1 0 320.366 3.837 20 0 DHADRM CCCc1cc(=O)[nH]c(C(=Cc2cc(C)c(C(=O)[O-])o2)CC)n1 ZINC001596050530 983349210 /nfs/dbraw/zinc/34/92/10/983349210.db2.gz KLKYVKAXGPVZSS-DHZHZOJOSA-N -1 0 316.357 3.685 20 0 DHADRM CCCc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1Cl ZINC001596053231 983353482 /nfs/dbraw/zinc/35/34/82/983353482.db2.gz MGZMUIMWOOJXAT-XHDPSFHLSA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc1Cl ZINC001596055367 983358248 /nfs/dbraw/zinc/35/82/48/983358248.db2.gz QCVFMORGKCJXTK-HZMBPMFUSA-N -1 0 311.809 3.522 20 0 DHADRM CCCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)s1 ZINC001596060362 983368289 /nfs/dbraw/zinc/36/82/89/983368289.db2.gz 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/nfs/dbraw/zinc/48/94/77/983489477.db2.gz UPOZHEZSISKMLS-HJWRWDBZSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)C1CC2(C1)CCCCC2)c1ncc(C(=O)[O-])s1 ZINC001596138650 983489498 /nfs/dbraw/zinc/48/94/98/983489498.db2.gz VMJLTNOHKTZRAE-UHFFFAOYSA-N -1 0 322.430 3.555 20 0 DHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(OC)c1 ZINC001596150234 983509477 /nfs/dbraw/zinc/50/94/77/983509477.db2.gz FQPBGPWFKFGGAD-UHFFFAOYSA-N -1 0 320.370 3.513 20 0 DHADRM CCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[C@@H](C)C(C)C ZINC001596150278 983509561 /nfs/dbraw/zinc/50/95/61/983509561.db2.gz GOGBMFZLYUORAY-JTQLQIEISA-N -1 0 312.797 3.937 20 0 DHADRM C=Cc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588478737 983517918 /nfs/dbraw/zinc/51/79/18/983517918.db2.gz KDNKTFYHWMSJGM-INIZCTEOSA-N -1 0 322.364 3.546 20 0 DHADRM CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001596221375 983611868 /nfs/dbraw/zinc/61/18/68/983611868.db2.gz ICVYTVIIXURMOE-UHFFFAOYSA-N -1 0 323.801 3.615 20 0 DHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000656624883 1014966420 /nfs/dbraw/zinc/96/64/20/1014966420.db2.gz SIPDDQYZHCNCHN-LLVKDONJSA-N -1 0 311.428 3.726 20 0 DHADRM CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccc2ccccc2c1 ZINC001596293055 983713960 /nfs/dbraw/zinc/71/39/60/983713960.db2.gz VMBWGZMFHKIALA-QGZVFWFLSA-N -1 0 311.381 3.814 20 0 DHADRM CCN(CCC1CC1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596320688 983750974 /nfs/dbraw/zinc/75/09/74/983750974.db2.gz HOMDEZAENZTBKI-JKSUJKDBSA-N -1 0 316.401 3.529 20 0 DHADRM CCN(CCOc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001596345638 983794352 /nfs/dbraw/zinc/79/43/52/983794352.db2.gz OERNFBNPIJFOJS-UHFFFAOYSA-N -1 0 321.323 3.568 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1F)c1cccc(C)c1F ZINC001596355729 983820965 /nfs/dbraw/zinc/82/09/65/983820965.db2.gz ASAHJBYQGCGGCK-UHFFFAOYSA-N -1 0 305.324 3.998 20 0 DHADRM CCN(Cc1ccncc1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596375345 983884885 /nfs/dbraw/zinc/88/48/85/983884885.db2.gz 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/nfs/dbraw/zinc/55/79/02/984557902.db2.gz SMMXGIIGWWMERF-UHFFFAOYSA-N -1 0 316.288 3.690 20 0 DHADRM C=Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC001588919379 984571759 /nfs/dbraw/zinc/57/17/59/984571759.db2.gz JMCSHAYICIFGET-HNNXBMFYSA-N -1 0 323.392 3.693 20 0 DHADRM C=Cc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001588921488 984579145 /nfs/dbraw/zinc/57/91/45/984579145.db2.gz GXCLATSRZYGTQJ-OAHLLOKOSA-N -1 0 316.401 3.732 20 0 DHADRM C/C(=C(/F)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CC1 ZINC001588932940 984611062 /nfs/dbraw/zinc/61/10/62/984611062.db2.gz NLHGJARMFQMQHB-UVTDQMKNSA-N -1 0 321.348 3.764 20 0 DHADRM C/C(=C(/F)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001588932978 984611151 /nfs/dbraw/zinc/61/11/51/984611151.db2.gz OBLWOPIPBFJAEK-SZGZABIGSA-N -1 0 319.376 3.608 20 0 DHADRM C/C(=C/C(=O)N1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001588937595 984616980 /nfs/dbraw/zinc/61/69/80/984616980.db2.gz MHQBPNBMGSOREP-BENRWUELSA-N -1 0 301.386 3.656 20 0 DHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588939755 984631357 /nfs/dbraw/zinc/63/13/57/984631357.db2.gz SCFRJPZLTKOELH-QIXNEVBVSA-N -1 0 315.413 3.548 20 0 DHADRM C/C(=C\C(=O)Nc1c(C)csc1C(=O)[O-])c1ccc(F)cc1 ZINC001588943817 984641894 /nfs/dbraw/zinc/64/18/94/984641894.db2.gz DUCLNPPIWRFFOC-VQHVLOKHSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C/C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588944003 984643657 /nfs/dbraw/zinc/64/36/57/984643657.db2.gz LVARGGMYUBVIET-LZFZLDGZSA-N -1 0 321.376 3.519 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC001588944054 984644425 /nfs/dbraw/zinc/64/44/25/984644425.db2.gz NHMNWDRVIDWRRW-CSKARUKUSA-N -1 0 301.367 3.797 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001588944086 984644431 /nfs/dbraw/zinc/64/44/31/984644431.db2.gz OEAZGUMCLXFBKZ-DHZHZOJOSA-N -1 0 322.320 3.568 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCCC1(C)C ZINC001599886743 984645798 /nfs/dbraw/zinc/64/57/98/984645798.db2.gz ZWKNUIMMXMFRGD-ZBFHGGJFSA-N -1 0 317.429 3.705 20 0 DHADRM C/C(=C\C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944409 984647288 /nfs/dbraw/zinc/64/72/88/984647288.db2.gz WTUZVMVCPVCHTO-VMPITWQZSA-N -1 0 323.320 3.767 20 0 DHADRM C[C@H](C(=O)OCc1c(F)cc(C(=O)[O-])cc1F)c1ccccc1 ZINC001599888081 984661307 /nfs/dbraw/zinc/66/13/07/984661307.db2.gz HYENUNMJOGVYSW-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1sccc1Cl ZINC001599888555 984666320 /nfs/dbraw/zinc/66/63/20/984666320.db2.gz LSRDDAYCJSLMJB-SNVBAGLBSA-N -1 0 323.801 3.517 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC001599890176 984684769 /nfs/dbraw/zinc/68/47/69/984684769.db2.gz HRQOSRJPTPUCAX-SNVBAGLBSA-N -1 0 320.291 3.652 20 0 DHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C)o2)cc1OCC ZINC000581619017 1015056349 /nfs/dbraw/zinc/05/63/49/1015056349.db2.gz WBMLPVDDJWROHY-UHFFFAOYSA-N -1 0 304.342 3.680 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001588955831 984699660 /nfs/dbraw/zinc/69/96/60/984699660.db2.gz AIHVLSAXOXNWIB-CMHYELSFSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001588956126 984701452 /nfs/dbraw/zinc/70/14/52/984701452.db2.gz HEXMTVULHGAUBQ-HIKUZTIESA-N -1 0 307.434 3.613 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001588956262 984702684 /nfs/dbraw/zinc/70/26/84/984702684.db2.gz KCGAQJQPMLEOKO-OWBHPGMISA-N -1 0 307.434 3.663 20 0 DHADRM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cc1 ZINC001596666758 984731772 /nfs/dbraw/zinc/73/17/72/984731772.db2.gz NEDBVSKTVSAPOK-LALPHHSUSA-N -1 0 320.389 3.556 20 0 DHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CCCCCC1 ZINC001599900641 984816133 /nfs/dbraw/zinc/81/61/33/984816133.db2.gz HGOOWYIKZZOARW-NSHDSACASA-N -1 0 307.365 3.613 20 0 DHADRM C[C@H](OC(=O)CCCC(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC001599903774 984893798 /nfs/dbraw/zinc/89/37/98/984893798.db2.gz HWHFTOOEMGZORD-VIFPVBQESA-N -1 0 304.264 3.722 20 0 DHADRM C[C@H](OC(=O)CCCC1CCOCC1)c1ccc(C(=O)[O-])cc1 ZINC001599903956 984898423 /nfs/dbraw/zinc/89/84/23/984898423.db2.gz UAKWSFQXGIUWKZ-ZDUSSCGKSA-N -1 0 320.385 3.586 20 0 DHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cc2ccccc2o1 ZINC001599904054 984900119 /nfs/dbraw/zinc/90/01/19/984900119.db2.gz ZNQBORODECTVPZ-NSHDSACASA-N -1 0 304.342 3.928 20 0 DHADRM C[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccc(C(=O)[O-])cc1 ZINC001599904415 984903778 /nfs/dbraw/zinc/90/37/78/984903778.db2.gz XTPPYGQTWYBPSG-JTQLQIEISA-N -1 0 316.378 3.853 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588996125 984931910 /nfs/dbraw/zinc/93/19/10/984931910.db2.gz ZXSNIFSGYMMLNP-GWKQRERASA-N -1 0 321.376 3.613 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001589003486 984953062 /nfs/dbraw/zinc/95/30/62/984953062.db2.gz BILSPJRWFOGQBX-AYJWMTRPSA-N -1 0 321.804 3.599 20 0 DHADRM CC(=O)[C@@H](C)CCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001589022478 985016755 /nfs/dbraw/zinc/01/67/55/985016755.db2.gz BOWTYEXLKMUIIH-ZETCQYMHSA-N -1 0 321.320 3.506 20 0 DHADRM C[C@H]1CN(C(=O)CC2CCC(C(C)(C)C)CC2)C[C@]1(C)C(=O)[O-] ZINC001599915186 985044947 /nfs/dbraw/zinc/04/49/47/985044947.db2.gz CYFQRENCACMDNK-URGFFDDHSA-N -1 0 323.477 3.798 20 0 DHADRM O=C([O-])COc1cccc(/C=C/C(=O)c2csc(Cl)c2)c1 ZINC000188859956 1015111265 /nfs/dbraw/zinc/11/12/65/1015111265.db2.gz VBDUENQEWMXNAX-SNAWJCMRSA-N -1 0 322.769 3.761 20 0 DHADRM CCOC1CC(COc2cccc3c(CC(=O)[O-])cccc23)C1 ZINC001596810048 985346951 /nfs/dbraw/zinc/34/69/51/985346951.db2.gz PQYXKLXBKUEIFH-UHFFFAOYSA-N -1 0 314.381 3.661 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599935046 985380481 /nfs/dbraw/zinc/38/04/81/985380481.db2.gz SHGKWGAGRZBVBG-WPRPVWTQSA-N -1 0 313.806 3.501 20 0 DHADRM C[C@H]1c2ccccc2CN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599936928 985407007 /nfs/dbraw/zinc/40/70/07/985407007.db2.gz IAKBJXHEHIHVJI-VIFPVBQESA-N -1 0 322.286 3.880 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C[C@H]1C ZINC001594477435 985499017 /nfs/dbraw/zinc/49/90/17/985499017.db2.gz HISOWBUXLAVZGY-VXGBXAGGSA-N -1 0 312.369 3.658 20 0 DHADRM CC(=O)Nc1c(C)ccc(NC2CCC(CC(=O)[O-])CC2)c1C ZINC001589165281 985503329 /nfs/dbraw/zinc/50/33/29/985503329.db2.gz CGUMMLUTAPLTRP-UHFFFAOYSA-N -1 0 318.417 3.707 20 0 DHADRM Cc1[nH]c(C(=O)[C@H](C)SCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599948336 985567422 /nfs/dbraw/zinc/56/74/22/985567422.db2.gz NAIOVVPVIOLJPK-NSHDSACASA-N -1 0 309.431 3.824 20 0 DHADRM Cc1[nH]c(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599953156 985644332 /nfs/dbraw/zinc/64/43/32/985644332.db2.gz QJNRWQZVROUCIF-KBPBESRZSA-N -1 0 320.433 3.664 20 0 DHADRM CC(=O)Nc1cccc(CNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001589210482 985694855 /nfs/dbraw/zinc/69/48/55/985694855.db2.gz PJMIPZAQKJIUIP-UHFFFAOYSA-N -1 0 318.760 3.609 20 0 DHADRM CC(=O)Oc1ccc(CSCc2ccccc2C(=O)[O-])cc1 ZINC001589229916 985771343 /nfs/dbraw/zinc/77/13/43/985771343.db2.gz HYFZQTWDVCGIET-UHFFFAOYSA-N -1 0 316.378 3.744 20 0 DHADRM Cc1[nH]c(CNc2cccc(N3CCCCC3)c2)cc1C(=O)[O-] ZINC001599962714 985820653 /nfs/dbraw/zinc/82/06/53/985820653.db2.gz CUKNXYPAQPTCAT-UHFFFAOYSA-N -1 0 313.401 3.624 20 0 DHADRM Cc1[nH]c(C[N@@H+](Cc2ccccc2F)CC2CC2)cc1C(=O)[O-] ZINC001599963413 985844294 /nfs/dbraw/zinc/84/42/94/985844294.db2.gz ZOYYDGWCZZTMKG-UHFFFAOYSA-N -1 0 316.376 3.573 20 0 DHADRM Cc1[nH]c(SCc2cc(C(=O)[O-])co2)nc1-c1ccccc1 ZINC001599965904 985904294 /nfs/dbraw/zinc/90/42/94/985904294.db2.gz MBHKBHOSAUIZLO-UHFFFAOYSA-N -1 0 314.366 3.969 20 0 DHADRM O=C([O-])/C=C/c1cnc(/C=C\c2cccc3cnccc23)s1 ZINC000588423207 1015176001 /nfs/dbraw/zinc/17/60/01/1015176001.db2.gz OJQOVJSXOYQKHD-XGXWUAJZSA-N -1 0 308.362 3.960 20 0 DHADRM CC(=O)c1ccc(Cl)cc1OCc1ccc(C(=O)[O-])s1 ZINC001589283777 986015040 /nfs/dbraw/zinc/01/50/40/986015040.db2.gz IPXLNCKDCXFUKY-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM CCON(CC1CCCCC1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596963718 986162009 /nfs/dbraw/zinc/16/20/09/986162009.db2.gz PDNZYPMXRPFASI-INIZCTEOSA-N -1 0 309.381 3.785 20 0 DHADRM C[C@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc21 ZINC001594538813 986168437 /nfs/dbraw/zinc/16/84/37/986168437.db2.gz OLCDNOJGGPRSNR-AWEZNQCLSA-N -1 0 307.393 3.927 20 0 DHADRM CCON(CC1CCCCC1)[C@H](C(=O)[O-])c1ccccc1C ZINC001596964621 986170451 /nfs/dbraw/zinc/17/04/51/986170451.db2.gz YXDLHSOGFQWALL-KRWDZBQOSA-N -1 0 305.418 3.955 20 0 DHADRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)c2ccccc2O1 ZINC001594542333 986182904 /nfs/dbraw/zinc/18/29/04/986182904.db2.gz KMGWYYQGPIVWTM-NSHDSACASA-N -1 0 317.772 3.826 20 0 DHADRM CCOc1c(Cl)cccc1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596992241 986275877 /nfs/dbraw/zinc/27/58/77/986275877.db2.gz FQQAUADLNINICF-UHFFFAOYSA-N -1 0 323.732 3.591 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)CC(C)C ZINC001597010036 986347954 /nfs/dbraw/zinc/34/79/54/986347954.db2.gz UJMBBAMMSFJURQ-UHFFFAOYSA-N -1 0 307.390 3.794 20 0 DHADRM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)Cc2ccccc21 ZINC001594583620 986449914 /nfs/dbraw/zinc/44/99/14/986449914.db2.gz KWFGIDOFIMYHFG-MRVPVSSYSA-N -1 0 308.790 3.618 20 0 DHADRM CCOc1cc(Cl)ccc1NCc1nc(C(=O)[O-])cs1 ZINC001597036523 986477634 /nfs/dbraw/zinc/47/76/34/986477634.db2.gz HQFFSZCQJMWLJF-UHFFFAOYSA-N -1 0 312.778 3.506 20 0 DHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccccc1F ZINC001589391666 986509998 /nfs/dbraw/zinc/50/99/98/986509998.db2.gz QJBJMFBUADHTGS-CYBMUJFWSA-N -1 0 321.392 3.613 20 0 DHADRM C[C@H]1CSC(S[C@H](C(=O)[O-])c2ccccc2Cl)=N1 ZINC001594611127 986603943 /nfs/dbraw/zinc/60/39/43/986603943.db2.gz YCAOOHMVWYAECW-XVKPBYJWSA-N -1 0 301.820 3.690 20 0 DHADRM C[C@H]1CSC[C@@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594613400 986619553 /nfs/dbraw/zinc/61/95/53/986619553.db2.gz LUVCFVYPMSZVJM-WFASDCNBSA-N -1 0 320.458 3.539 20 0 DHADRM C[C@@H]1CSC[C@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594613398 986619612 /nfs/dbraw/zinc/61/96/12/986619612.db2.gz LUVCFVYPMSZVJM-IUODEOHRSA-N -1 0 320.458 3.539 20 0 DHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@H](C)Cc2ccccc21 ZINC001594623340 986674295 /nfs/dbraw/zinc/67/42/95/986674295.db2.gz ZSVVEZWWHPTXGG-MNOVXSKESA-N -1 0 302.399 3.601 20 0 DHADRM C[C@H]1N(Cc2nc(C(=O)[O-])cs2)c2ccccc2C1(C)C ZINC001594626982 986697190 /nfs/dbraw/zinc/69/71/90/986697190.db2.gz RAQFKVQEZJHMCT-SNVBAGLBSA-N -1 0 302.399 3.528 20 0 DHADRM CCOc1ccc(CN(CC(=O)[O-])[C@@H](CC)c2ccccc2)o1 ZINC001597101356 986717024 /nfs/dbraw/zinc/71/70/24/986717024.db2.gz ZUWGLAYKEGKJAQ-INIZCTEOSA-N -1 0 317.385 3.716 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)(F)F ZINC001589431167 986725400 /nfs/dbraw/zinc/72/54/00/986725400.db2.gz FZGNJSIPSBTAFO-VIFPVBQESA-N -1 0 307.296 3.768 20 0 DHADRM CCOc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001597105259 986735226 /nfs/dbraw/zinc/73/52/26/986735226.db2.gz KIDAGEQAXSGZOF-UHFFFAOYSA-N -1 0 307.296 3.674 20 0 DHADRM CCOc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC001597105938 986743315 /nfs/dbraw/zinc/74/33/15/986743315.db2.gz YFRTVFRQKNEUSV-UHFFFAOYSA-N -1 0 319.357 3.776 20 0 DHADRM CCOc1ccc(NC(=O)/C(C)=C(/C)CC)c(C(=O)[O-])c1F ZINC001597111111 986760431 /nfs/dbraw/zinc/76/04/31/986760431.db2.gz AIEUSJIYVBHEEZ-KTKRTIGZSA-N -1 0 309.337 3.608 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C(=O)[O-])c1F ZINC001597113450 986787222 /nfs/dbraw/zinc/78/72/22/986787222.db2.gz UGJMLHQGUMKDAH-BTDLBPIBSA-N -1 0 323.364 3.543 20 0 DHADRM C[C@H](C(=O)Nc1sccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589448603 986826989 /nfs/dbraw/zinc/82/69/89/986826989.db2.gz PLUCNBWYMFMTSR-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 ZINC001589461464 986911003 /nfs/dbraw/zinc/91/10/03/986911003.db2.gz DMFPPPUZMUBNOP-NOZJJQNGSA-N -1 0 323.801 3.593 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001597150593 986928596 /nfs/dbraw/zinc/92/85/96/986928596.db2.gz QOHOQVJQYSGONK-CQSZACIVSA-N -1 0 318.325 3.685 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001597151184 986933951 /nfs/dbraw/zinc/93/39/51/986933951.db2.gz YQVFSRMPIAPAPW-DOMZBBRYSA-N -1 0 308.374 3.581 20 0 DHADRM C/C=C(/C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001594676709 987008494 /nfs/dbraw/zinc/00/84/94/987008494.db2.gz CCAOKBTUSMQBGY-WMZJFQQLSA-N -1 0 313.353 3.854 20 0 DHADRM C/C=C(/CC)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594676932 987009797 /nfs/dbraw/zinc/00/97/97/987009797.db2.gz ULZKKCRAKUPVEN-LXYJIPTKSA-N -1 0 309.793 3.502 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001594686238 987064036 /nfs/dbraw/zinc/06/40/36/987064036.db2.gz QGVBZGWJURPRHV-VQTKUKTRSA-N -1 0 316.401 3.903 20 0 DHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581728591 1015276093 /nfs/dbraw/zinc/27/60/93/1015276093.db2.gz OKGDBJDVAIBPQO-QDIHITRGSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C3CCC3)CCC2)cc1 ZINC001589501922 987102004 /nfs/dbraw/zinc/10/20/04/987102004.db2.gz ARHAMNMAZDAVET-LBPRGKRZSA-N -1 0 301.386 3.784 20 0 DHADRM CC/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001594694393 987107540 /nfs/dbraw/zinc/10/75/40/987107540.db2.gz VKMNDNCPJJBZKT-YBHKSSGVSA-N -1 0 316.378 3.911 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1 ZINC001589504061 987111411 /nfs/dbraw/zinc/11/14/11/987111411.db2.gz KKKZCZSSJRAHMT-GFCCVEGCSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1 ZINC001589508471 987128988 /nfs/dbraw/zinc/12/89/88/987128988.db2.gz KIGNQSNTDHKKMS-LBPRGKRZSA-N -1 0 316.401 3.529 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC001589521833 987170836 /nfs/dbraw/zinc/17/08/36/987170836.db2.gz FUYRXFPAMWYSMA-ZYHUDNBSSA-N -1 0 311.328 3.639 20 0 DHADRM CCC(=O)c1ccc(OCc2csc(C(=O)[O-])c2)c(F)c1 ZINC001594721241 987204378 /nfs/dbraw/zinc/20/43/78/987204378.db2.gz YJOZRPCDZJYUQC-UHFFFAOYSA-N -1 0 308.330 3.757 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3ncccc32)c1 ZINC001589531836 987207513 /nfs/dbraw/zinc/20/75/13/987207513.db2.gz LKBGRKQXOFPKIK-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2cc3ccccc3n2C)c1 ZINC001589531971 987209236 /nfs/dbraw/zinc/20/92/36/987209236.db2.gz MIWXRUAHTPPJRF-CYBMUJFWSA-N -1 0 308.381 3.979 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccccc2Cl)c1 ZINC001589533477 987227255 /nfs/dbraw/zinc/22/72/55/987227255.db2.gz QCZQDMBTACJPEN-NSHDSACASA-N -1 0 317.772 3.709 20 0 DHADRM CC[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)C1CCC(C)CC1 ZINC001594729192 987240713 /nfs/dbraw/zinc/24/07/13/987240713.db2.gz GAIJRLKJABPKQY-BDVYOWHSSA-N -1 0 323.477 3.942 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594734923 987264641 /nfs/dbraw/zinc/26/46/41/987264641.db2.gz FDZKMYPVGFMWSH-GFCCVEGCSA-N -1 0 319.382 3.587 20 0 DHADRM C[C@@H](C(=O)OCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001589546337 987267723 /nfs/dbraw/zinc/26/77/23/987267723.db2.gz HBOZHYRSOFEYGT-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CCSCc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001597265287 987295807 /nfs/dbraw/zinc/29/58/07/987295807.db2.gz NDRSWPWJQGTNHX-LSDHHAIUSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1ccccc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001597265421 987296871 /nfs/dbraw/zinc/29/68/71/987296871.db2.gz URYWPTQWRJJOLJ-AWEZNQCLSA-N -1 0 323.458 3.559 20 0 DHADRM CCSCc1cccnc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001597267801 987305972 /nfs/dbraw/zinc/30/59/72/987305972.db2.gz PZCCEIWWALDVIY-MBNYWOFBSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1ccccc1CSCc1cnc(C(=O)[O-])cn1 ZINC001597280144 987350556 /nfs/dbraw/zinc/35/05/56/987350556.db2.gz RGUFLRKESODKAV-UHFFFAOYSA-N -1 0 320.439 3.720 20 0 DHADRM CC(C)(C(=O)[O-])C(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC001589588646 987384883 /nfs/dbraw/zinc/38/48/83/987384883.db2.gz CXVXNVRKXGXBEE-UHFFFAOYSA-N -1 0 320.332 3.619 20 0 DHADRM CC(C)(C(=O)[O-])C(=O)CSC1CCC(C(F)(F)F)CC1 ZINC001589589068 987390753 /nfs/dbraw/zinc/39/07/53/987390753.db2.gz UYAXOHWUWFRJRC-UHFFFAOYSA-N -1 0 312.353 3.521 20 0 DHADRM CC[C@@H]1CC[C@@H](C)N(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001597296266 987394942 /nfs/dbraw/zinc/39/49/42/987394942.db2.gz KQHZZNZECBRDRK-NXEZZACHSA-N -1 0 316.323 3.814 20 0 DHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001597296352 987395940 /nfs/dbraw/zinc/39/59/40/987395940.db2.gz OQNVLISVRPCGHY-QWHCGFSZSA-N -1 0 304.390 3.736 20 0 DHADRM CC[C@H](C)[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001597324743 987456497 /nfs/dbraw/zinc/45/64/97/987456497.db2.gz CYXTYGKRJLFRKE-BONVTDFDSA-N -1 0 322.792 3.584 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Oc2c(OC)cccc2C(=O)[O-])CC1 ZINC001597355014 987500088 /nfs/dbraw/zinc/50/00/88/987500088.db2.gz XAPRRFBMWCELJW-HAQNSBGRSA-N -1 0 306.358 3.515 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc3c(o2)CCCC3)cc1 ZINC001589640645 987562112 /nfs/dbraw/zinc/56/21/12/987562112.db2.gz AENHCTMNHRBULS-UHFFFAOYSA-N -1 0 314.385 3.528 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC001589651395 987603409 /nfs/dbraw/zinc/60/34/09/987603409.db2.gz ZVEHIAFLNORTSM-DVOMOZLQSA-N -1 0 314.381 3.557 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001589666156 987649855 /nfs/dbraw/zinc/64/98/55/987649855.db2.gz QQEHCGTVCNHTCX-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM CCc1cc(C(=O)N[C@@H](CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429566 987765457 /nfs/dbraw/zinc/76/54/57/987765457.db2.gz JSAQBHUMUYVHGN-ZDUSSCGKSA-N -1 0 317.410 3.571 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001597449372 987832579 /nfs/dbraw/zinc/83/25/79/987832579.db2.gz BUSNCWLQEBNGNC-FQEVSTJZSA-N -1 0 323.392 3.790 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C2CCC2)C1 ZINC001597453418 987855346 /nfs/dbraw/zinc/85/53/46/987855346.db2.gz PREHKQMDJNIDGK-HNNXBMFYSA-N -1 0 316.401 3.601 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1C ZINC001597453860 987857393 /nfs/dbraw/zinc/85/73/93/987857393.db2.gz UGKGCPUINLSRGW-GFCCVEGCSA-N -1 0 304.390 3.744 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)C(C)(C)CC ZINC001597456512 987862402 /nfs/dbraw/zinc/86/24/02/987862402.db2.gz FSVPWJUQPOGXGV-NSHDSACASA-N -1 0 306.406 3.893 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@H]1CC=CCC1 ZINC001597457102 987869290 /nfs/dbraw/zinc/86/92/90/987869290.db2.gz HBTHPSFHMMTZGX-ZDUSSCGKSA-N -1 0 316.401 3.815 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(C)cccn2c1 ZINC001597463378 987891515 /nfs/dbraw/zinc/89/15/15/987891515.db2.gz BUIHTPKMLIENLZ-UHFFFAOYSA-N -1 0 322.364 3.761 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccoc1C(C)C ZINC001597463435 987892896 /nfs/dbraw/zinc/89/28/96/987892896.db2.gz DEFJSZKSAXTQML-UHFFFAOYSA-N -1 0 301.342 3.916 20 0 DHADRM CS[C@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001599784773 987903486 /nfs/dbraw/zinc/90/34/86/987903486.db2.gz XGTCOPUULONIOL-MRVPVSSYSA-N -1 0 301.795 3.508 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2ncccc21 ZINC001597465321 987903577 /nfs/dbraw/zinc/90/35/77/987903577.db2.gz SZNSFFHNIOQVRO-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001597465876 987908984 /nfs/dbraw/zinc/90/89/84/987908984.db2.gz ZLTUPFAPZDMFIN-CVEARBPZSA-N -1 0 309.365 3.689 20 0 DHADRM CCc1cc(Cl)cnc1NCc1ccc(C(=O)[O-])cc1F ZINC001597477044 987945424 /nfs/dbraw/zinc/94/54/24/987945424.db2.gz SHAILTKKZYISDU-UHFFFAOYSA-N -1 0 308.740 3.747 20 0 DHADRM CS[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790036 987991950 /nfs/dbraw/zinc/99/19/50/987991950.db2.gz BHMPNWUTALEDTB-NEPJUHHUSA-N -1 0 320.241 3.556 20 0 DHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(CC2(CC(=O)[O-])CC2)C1 ZINC001589738700 988005639 /nfs/dbraw/zinc/00/56/39/988005639.db2.gz RIOBWLIZBLTQHL-OAHLLOKOSA-N -1 0 301.430 3.966 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589742126 988016678 /nfs/dbraw/zinc/01/66/78/988016678.db2.gz NNARLMVKZHZITP-CYBMUJFWSA-N -1 0 303.402 3.664 20 0 DHADRM O=C(C=C1CCCC1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000738454642 1015354293 /nfs/dbraw/zinc/35/42/93/1015354293.db2.gz VFIATKSVKFELOX-UHFFFAOYSA-N -1 0 321.423 3.778 20 0 DHADRM CCc1ccc(-c2nc(S[C@@H](C(=O)[O-])[C@@H](C)CC)n[nH]2)cc1 ZINC001597492030 988023377 /nfs/dbraw/zinc/02/33/77/988023377.db2.gz OFGHTVFVMSVKHH-GXFFZTMASA-N -1 0 319.430 3.626 20 0 DHADRM CCc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1CC ZINC001597498471 988045472 /nfs/dbraw/zinc/04/54/72/988045472.db2.gz DCYPUNAWDXZKMK-CQSZACIVSA-N -1 0 317.429 3.528 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc2c1CCCCC2)C(=O)[O-] ZINC001589751163 988050208 /nfs/dbraw/zinc/05/02/08/988050208.db2.gz KGTCZPJPVCNISB-MRXNPFEDSA-N -1 0 317.429 3.575 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001589751898 988058994 /nfs/dbraw/zinc/05/89/94/988058994.db2.gz UNGWQCMMUKQEQK-MRXNPFEDSA-N -1 0 317.429 3.963 20 0 DHADRM CCc1ccc(C(C)(C)NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597508204 988084676 /nfs/dbraw/zinc/08/46/76/988084676.db2.gz GZKNZZFTSPJFSB-UHFFFAOYSA-N -1 0 315.369 3.514 20 0 DHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001589764250 988098102 /nfs/dbraw/zinc/09/81/02/988098102.db2.gz CMOFTLASVABYAY-LBPRGKRZSA-N -1 0 307.390 3.655 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589764837 988109093 /nfs/dbraw/zinc/10/90/93/988109093.db2.gz ZGWOTSXKLQUKOT-AWEZNQCLSA-N -1 0 304.390 3.817 20 0 DHADRM CCc1ccc([C@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597513463 988111973 /nfs/dbraw/zinc/11/19/73/988111973.db2.gz VIDXCWGAQAAFHY-JTQLQIEISA-N -1 0 312.325 3.742 20 0 DHADRM CCc1ccc([C@@H](Nc2nc(C)cc(C(=O)[O-])n2)C(C)C)cc1 ZINC001597514660 988123664 /nfs/dbraw/zinc/12/36/64/988123664.db2.gz RQUXNZJBNPJWRT-INIZCTEOSA-N -1 0 313.401 3.855 20 0 DHADRM O=C(Cc1c(F)cccc1F)Nc1cc(F)cc(Cl)c1[O-] ZINC000474441081 1015363569 /nfs/dbraw/zinc/36/35/69/1015363569.db2.gz XSQNDSBMDMQIBH-UHFFFAOYSA-N -1 0 315.678 3.644 20 0 DHADRM CCOc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444603 1015363588 /nfs/dbraw/zinc/36/35/88/1015363588.db2.gz IDEXFNBMEDEUHI-UHFFFAOYSA-N -1 0 309.724 3.836 20 0 DHADRM CCc1ccc(CCC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001597523104 988158309 /nfs/dbraw/zinc/15/83/09/988158309.db2.gz IYWIWCGNFQCDRO-UHFFFAOYSA-N -1 0 317.410 3.888 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001589788980 988174160 /nfs/dbraw/zinc/17/41/60/988174160.db2.gz KWFBRXIXHOVJTF-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Oc2cccc(C(=O)[O-])c2)s1 ZINC001589792832 988181269 /nfs/dbraw/zinc/18/12/69/988181269.db2.gz LSTBAOJQUVQIQQ-UHFFFAOYSA-N -1 0 319.382 3.649 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001597530754 988187685 /nfs/dbraw/zinc/18/76/85/988187685.db2.gz MXANPAHUNZOPKN-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589795212 988188872 /nfs/dbraw/zinc/18/88/72/988188872.db2.gz CFBMJPUWVBOWIF-KBPBESRZSA-N -1 0 323.458 3.766 20 0 DHADRM CCc1ccc(NC(=O)C[C@H]2CCCC2(F)F)c(C(=O)[O-])c1 ZINC001597542487 988230960 /nfs/dbraw/zinc/23/09/60/988230960.db2.gz DFLYZMGOBGEWNS-LLVKDONJSA-N -1 0 311.328 3.711 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(C(=O)[O-])c1 ZINC001597542685 988233155 /nfs/dbraw/zinc/23/31/55/988233155.db2.gz GYNOMIQUZNLDCI-KGYLQXTDSA-N -1 0 323.339 3.567 20 0 DHADRM CCc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1C ZINC001597543254 988240085 /nfs/dbraw/zinc/24/00/85/988240085.db2.gz YQMZSBUVXLMXEU-FXAWDEMLSA-N -1 0 323.392 3.754 20 0 DHADRM CCc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1C ZINC001597543255 988240197 /nfs/dbraw/zinc/24/01/97/988240197.db2.gz YQMZSBUVXLMXEU-PXNSSMCTSA-N -1 0 323.392 3.754 20 0 DHADRM CCc1ccc(NC(=O)c2ccc3ccn(C)c3c2)c(C(=O)[O-])c1 ZINC001597551133 988272604 /nfs/dbraw/zinc/27/26/04/988272604.db2.gz VECCDYZRLDQQGM-UHFFFAOYSA-N -1 0 322.364 3.691 20 0 DHADRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC001599807759 988283999 /nfs/dbraw/zinc/28/39/99/988283999.db2.gz VDEOEIBBYQFJJT-CQSZACIVSA-N -1 0 320.341 3.530 20 0 DHADRM CSc1c(F)cccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001599807890 988286301 /nfs/dbraw/zinc/28/63/01/988286301.db2.gz RLDJTTQENWGQAQ-UHFFFAOYSA-N -1 0 311.359 3.560 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)o1 ZINC001599808361 988292415 /nfs/dbraw/zinc/29/24/15/988292415.db2.gz DLPMUSGSPSRTQQ-UHFFFAOYSA-N -1 0 323.345 3.708 20 0 DHADRM CSc1cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c(C)o1 ZINC001599809059 988302459 /nfs/dbraw/zinc/30/24/59/988302459.db2.gz YZKYOFYQGDHDDP-UHFFFAOYSA-N -1 0 324.329 3.675 20 0 DHADRM CSc1cc(F)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001599809163 988303509 /nfs/dbraw/zinc/30/35/09/988303509.db2.gz VPUHTRRGYHFPKT-UHFFFAOYSA-N -1 0 323.389 3.521 20 0 DHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001597563503 988316179 /nfs/dbraw/zinc/31/61/79/988316179.db2.gz OTDDORIFFMJYOO-JTQLQIEISA-N -1 0 318.398 3.891 20 0 DHADRM CC(C)(C)Nc1ccccc1NCc1ncc(C(=O)[O-])s1 ZINC001589839392 988324202 /nfs/dbraw/zinc/32/42/02/988324202.db2.gz BTEXFGCTEHGRBI-UHFFFAOYSA-N -1 0 305.403 3.664 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599811963 988353046 /nfs/dbraw/zinc/35/30/46/988353046.db2.gz MFYKMLWMUYNPBL-JTQLQIEISA-N -1 0 320.366 3.926 20 0 DHADRM CSc1ccc(C)c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001599812831 988367601 /nfs/dbraw/zinc/36/76/01/988367601.db2.gz PDJPTETXQJHPQG-UHFFFAOYSA-N -1 0 319.426 3.691 20 0 DHADRM CSc1ccc(C)c(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001599813163 988373770 /nfs/dbraw/zinc/37/37/70/988373770.db2.gz SZNPTPFCJHLOGX-ZDUSSCGKSA-N -1 0 324.446 3.728 20 0 DHADRM CSc1ccc(N(C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001599814546 988398759 /nfs/dbraw/zinc/39/87/59/988398759.db2.gz OXMSKUTVTIXWTO-YFHOEESVSA-N -1 0 303.383 3.736 20 0 DHADRM CSc1ccc(NC(=O)[C@H](C)c2ccc(C)o2)cc1C(=O)[O-] ZINC001599815825 988421946 /nfs/dbraw/zinc/42/19/46/988421946.db2.gz IEUFRWBFJTUFPX-SNVBAGLBSA-N -1 0 319.382 3.750 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599816177 988428061 /nfs/dbraw/zinc/42/80/61/988428061.db2.gz BZFNDYNJXHLKAY-NSHDSACASA-N -1 0 322.430 3.761 20 0 DHADRM CCc1cccc(N(C)Cc2cc(C(=O)[O-])c3n2CCCC3)c1 ZINC001597593604 988429553 /nfs/dbraw/zinc/42/95/53/988429553.db2.gz VOVHMJWEQRMHIA-UHFFFAOYSA-N -1 0 312.413 3.721 20 0 DHADRM CSc1ccc(NC(=O)N2CCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001599816303 988430802 /nfs/dbraw/zinc/43/08/02/988430802.db2.gz CHQGZICGQAHTKT-CYBMUJFWSA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)N2CCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC001599816304 988430821 /nfs/dbraw/zinc/43/08/21/988430821.db2.gz CHQGZICGQAHTKT-ZDUSSCGKSA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)NC2(C)CCCC2)cc1C(=O)[O-] ZINC001599818268 988466418 /nfs/dbraw/zinc/46/64/18/988466418.db2.gz PUADZCNJERREHA-UHFFFAOYSA-N -1 0 308.403 3.561 20 0 DHADRM CCc1ccccc1Cc1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001597612248 988513513 /nfs/dbraw/zinc/51/35/13/988513513.db2.gz VPNYWXWOIYXBSG-GJZGRUSLSA-N -1 0 314.385 3.581 20 0 DHADRM CCc1cn(Cc2c(C(=O)[O-])sc3cccc(F)c32)cn1 ZINC001597626408 988576529 /nfs/dbraw/zinc/57/65/29/988576529.db2.gz QNNPXFLDQCITES-UHFFFAOYSA-N -1 0 304.346 3.546 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 ZINC000013166842 1015401104 /nfs/dbraw/zinc/40/11/04/1015401104.db2.gz QLOIBQYUMQMHLE-UHFFFAOYSA-N -1 0 319.357 3.645 20 0 DHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccsc1C(=O)[O-] ZINC001599825920 988597887 /nfs/dbraw/zinc/59/78/87/988597887.db2.gz AEAIWXRNHZRVQQ-SECBINFHSA-N -1 0 321.423 3.659 20 0 DHADRM CCc1nc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c(C)o1 ZINC001597650828 988682134 /nfs/dbraw/zinc/68/21/34/988682134.db2.gz AUPFCXSQBOLKJC-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599835058 988729555 /nfs/dbraw/zinc/72/95/55/988729555.db2.gz QNOYVAAGSCOHOS-NSHDSACASA-N -1 0 324.446 3.604 20 0 DHADRM Cc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000013251082 1015415045 /nfs/dbraw/zinc/41/50/45/1015415045.db2.gz OYMCUFRUUGBXGV-IBGZPJMESA-N -1 0 311.381 3.675 20 0 DHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599838090 988777650 /nfs/dbraw/zinc/77/76/50/988777650.db2.gz MTZGPCJIGYMPKA-JYESYGNLSA-N -1 0 319.744 3.522 20 0 DHADRM C[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(C)(C)C ZINC001599840374 988817661 /nfs/dbraw/zinc/81/76/61/988817661.db2.gz REBOVEXUWRWGJR-SSDOTTSWSA-N -1 0 316.760 3.733 20 0 DHADRM CCc1nc(NC(=O)c2cc(C(C)C)oc2C)sc1C(=O)[O-] ZINC001597682072 988818398 /nfs/dbraw/zinc/81/83/98/988818398.db2.gz PGMAGBVNYXEDID-UHFFFAOYSA-N -1 0 322.386 3.681 20 0 DHADRM CCc1cccc(C)c1NC(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000013253139 1015424909 /nfs/dbraw/zinc/42/49/09/1015424909.db2.gz DJBZJSNUHXOITC-FMIVXFBMSA-N -1 0 309.365 3.908 20 0 DHADRM CCOc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1OC ZINC000054034154 1015427543 /nfs/dbraw/zinc/42/75/43/1015427543.db2.gz ORKGHLNLTYIGMR-UHFFFAOYSA-N -1 0 321.760 3.705 20 0 DHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cc(F)ccc1F ZINC001599846666 988944113 /nfs/dbraw/zinc/94/41/13/988944113.db2.gz UFOSMDLDAWZTEB-OSWGYVBTSA-N -1 0 324.323 3.604 20 0 DHADRM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H](C(F)(F)F)C1 ZINC001599848570 988974768 /nfs/dbraw/zinc/97/47/68/988974768.db2.gz TZOIKYXPRLVFOE-RNCFNFMXSA-N -1 0 319.298 3.687 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1Cc2ccc(Cl)cc2C1 ZINC001597767935 989227338 /nfs/dbraw/zinc/22/73/38/989227338.db2.gz XQLJQBSWUMRFLW-UHFFFAOYSA-N -1 0 305.761 3.709 20 0 DHADRM CCc1occc1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001597825351 989480778 /nfs/dbraw/zinc/48/07/78/989480778.db2.gz ZIGKZHOWYAOYPM-KRWDZBQOSA-N -1 0 323.348 3.551 20 0 DHADRM O=C([O-])CCSc1ncnc2scc(-c3ccccc3)c21 ZINC000035160217 1015482485 /nfs/dbraw/zinc/48/24/85/1015482485.db2.gz MXJCWICXTCSGBH-UHFFFAOYSA-N -1 0 316.407 3.925 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC001599885051 989541335 /nfs/dbraw/zinc/54/13/35/989541335.db2.gz ACSUBQLMFXXEAA-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM CCn1c(S[C@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccccc1 ZINC001597862548 989643870 /nfs/dbraw/zinc/64/38/70/989643870.db2.gz VJFZJGBKLOVNGP-GFCCVEGCSA-N -1 0 319.430 3.556 20 0 DHADRM CC(C)(C)Oc1cccc(C(=O)Nc2sccc2C(=O)[O-])c1 ZINC001590415987 989953770 /nfs/dbraw/zinc/95/37/70/989953770.db2.gz DHCOUOLQDGGNQM-UHFFFAOYSA-N -1 0 319.382 3.876 20 0 DHADRM CC(C)(C)c1cc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ncn1 ZINC001590462257 990033663 /nfs/dbraw/zinc/03/36/63/990033663.db2.gz RXAMZOODDPMQRL-UONOGXRCSA-N -1 0 311.385 3.706 20 0 DHADRM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC001590481434 990072157 /nfs/dbraw/zinc/07/21/57/990072157.db2.gz BPYNBELCDDCRHE-UHFFFAOYSA-N -1 0 303.383 3.996 20 0 DHADRM CN(C(=O)[C@@H](F)CC1CCCCC1)c1ccccc1C(=O)[O-] ZINC001597991666 990097030 /nfs/dbraw/zinc/09/70/30/990097030.db2.gz SHVUOTROZVGSNH-AWEZNQCLSA-N -1 0 307.365 3.656 20 0 DHADRM CC(C)(C)c1ccc(NCc2cc(C(=O)[O-])ccc2Cl)nn1 ZINC001590493921 990098740 /nfs/dbraw/zinc/09/87/40/990098740.db2.gz RQIGYNGJFGBISZ-UHFFFAOYSA-N -1 0 319.792 3.738 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590494144 990099949 /nfs/dbraw/zinc/09/99/49/990099949.db2.gz UTZFSOZMMXCNSL-QWHCGFSZSA-N -1 0 304.386 3.781 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CC(C)(C)CC(C)(C)C1 ZINC001598002856 990137543 /nfs/dbraw/zinc/13/75/43/990137543.db2.gz BUOVNPMISQDREB-ZIAGYGMSSA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)co1 ZINC001590537834 990158508 /nfs/dbraw/zinc/15/85/08/990158508.db2.gz XHCSRFKFOLVYIK-UHFFFAOYSA-N -1 0 322.748 3.576 20 0 DHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598008284 990170822 /nfs/dbraw/zinc/17/08/22/990170822.db2.gz TXVVDQMJAQPXNL-HZPDHXFCSA-N -1 0 317.429 3.672 20 0 DHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598008285 990170878 /nfs/dbraw/zinc/17/08/78/990170878.db2.gz TXVVDQMJAQPXNL-JKSUJKDBSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)(C)c1nc(NC(=O)C[C@@H]2C=CCCC2)sc1C(=O)[O-] ZINC001590544948 990177824 /nfs/dbraw/zinc/17/78/24/990177824.db2.gz MGIGXQAHNBLKDB-SNVBAGLBSA-N -1 0 322.430 3.824 20 0 DHADRM CC(C)(C)c1nccc(NCCCCC2(C(=O)[O-])CCC2)n1 ZINC001590571496 990207348 /nfs/dbraw/zinc/20/73/48/990207348.db2.gz BJPZSWQWUUMLTG-UHFFFAOYSA-N -1 0 305.422 3.611 20 0 DHADRM CC(C)(C)n1c(NCc2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001590588778 990239364 /nfs/dbraw/zinc/23/93/64/990239364.db2.gz LTNIOHCWYYWVRN-UHFFFAOYSA-N -1 0 313.357 3.695 20 0 DHADRM CC(C)(CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)C1CC1 ZINC001590621508 990302313 /nfs/dbraw/zinc/30/23/13/990302313.db2.gz BALSILXHLKQVSZ-UHFFFAOYSA-N -1 0 311.765 3.509 20 0 DHADRM CC(C)(CC(=O)Nc1nc(CC(=O)[O-])cs1)C1CCCCC1 ZINC001590625662 990309519 /nfs/dbraw/zinc/30/95/19/990309519.db2.gz PQRKURLADAPMLX-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM CC(C)(CC(=O)Oc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC001590649338 990338571 /nfs/dbraw/zinc/33/85/71/990338571.db2.gz ZXHMIGUATDEVTC-UHFFFAOYSA-N -1 0 324.682 3.922 20 0 DHADRM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001598068095 990363075 /nfs/dbraw/zinc/36/30/75/990363075.db2.gz KABSYZXEDVQXKY-LSDHHAIUSA-N -1 0 323.477 3.941 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598082893 990404133 /nfs/dbraw/zinc/40/41/33/990404133.db2.gz DXSHIKJZOCZJEP-GJZGRUSLSA-N -1 0 303.402 3.672 20 0 DHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598083415 990410469 /nfs/dbraw/zinc/41/04/69/990410469.db2.gz XCMSANPJETXOLM-ZMUOKHCPSA-N -1 0 319.401 3.664 20 0 DHADRM CCC(CC)(C(=O)[N-]OCC(F)F)c1ccc(Cl)cc1 ZINC000759335937 1015564505 /nfs/dbraw/zinc/56/45/05/1015564505.db2.gz DKHSYKVVIOIZAM-UHFFFAOYSA-N -1 0 305.752 3.711 20 0 DHADRM CC(C)(CNC(=O)N1CCC[C@@H]1CC1CCCCC1)CC(=O)[O-] ZINC001590717218 990481895 /nfs/dbraw/zinc/48/18/95/990481895.db2.gz LJXVMUBSPGJHSK-OAHLLOKOSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)(CNC(=O)NC1CCC2(CCCCC2)CC1)CC(=O)[O-] ZINC001590724137 990510066 /nfs/dbraw/zinc/51/00/66/990510066.db2.gz SRXIXALDDPDLEP-UHFFFAOYSA-N -1 0 324.465 3.680 20 0 DHADRM CC(C)(Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)C(F)(F)F ZINC001590826424 990666356 /nfs/dbraw/zinc/66/63/56/990666356.db2.gz BGGHYIWNGQYMNS-UHFFFAOYSA-N -1 0 314.263 3.566 20 0 DHADRM CC(C)(NCc1ccc(C2CCC2)cc1)c1nocc1C(=O)[O-] ZINC001590871399 990777880 /nfs/dbraw/zinc/77/78/80/990777880.db2.gz REPBUCLAMPPRLG-UHFFFAOYSA-N -1 0 314.385 3.665 20 0 DHADRM CC(C)(O)CCS[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590898712 990848093 /nfs/dbraw/zinc/84/80/93/990848093.db2.gz QYAAICPSIGJICT-NSHDSACASA-N -1 0 322.348 3.725 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](c2nc(-c3cc(C(=O)[O-])co3)no2)C1(C)C ZINC001590914258 990896629 /nfs/dbraw/zinc/89/66/29/990896629.db2.gz DETFADFERROJQP-PWSUYJOCSA-N -1 0 302.330 3.734 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001590914517 990898953 /nfs/dbraw/zinc/89/89/53/990898953.db2.gz JBADTQRLVSCCNZ-GFCCVEGCSA-N -1 0 323.355 3.625 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])C1(C)C ZINC001590915503 990903624 /nfs/dbraw/zinc/90/36/24/990903624.db2.gz VGWSOVAZRKGZSC-KGLIPLIRSA-N -1 0 309.450 3.573 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590921000 990908440 /nfs/dbraw/zinc/90/84/40/990908440.db2.gz COGUAJKBJHFTLZ-NSHDSACASA-N -1 0 308.353 3.780 20 0 DHADRM CC(C)C(C)(C)CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001590963873 991066356 /nfs/dbraw/zinc/06/63/56/991066356.db2.gz NPFHNSZCKXYSFD-UHFFFAOYSA-N -1 0 304.312 3.893 20 0 DHADRM COc1cccc2cc(-c3nc4cc(C(=O)[O-])ccc4n3C)oc21 ZINC001599692998 991101203 /nfs/dbraw/zinc/10/12/03/991101203.db2.gz JHCZINHMFMILLC-UHFFFAOYSA-N -1 0 322.320 3.693 20 0 DHADRM CC(C)[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001590975992 991119854 /nfs/dbraw/zinc/11/98/54/991119854.db2.gz INEGFIFNSAGYNX-OIISXLGYSA-N -1 0 317.429 3.528 20 0 DHADRM CC(C)[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001591013875 991287294 /nfs/dbraw/zinc/28/72/94/991287294.db2.gz YGBPQCKGBPHWGB-KRWDZBQOSA-N -1 0 320.433 3.718 20 0 DHADRM CC(C)[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001591019093 991301524 /nfs/dbraw/zinc/30/15/24/991301524.db2.gz BMISBDHQGHIJPP-INIZCTEOSA-N -1 0 315.344 3.651 20 0 DHADRM COc1ccccc1CCCSCc1nc(C(=O)[O-])cs1 ZINC001599708444 991329156 /nfs/dbraw/zinc/32/91/56/991329156.db2.gz CCUBWFQAGFFMES-UHFFFAOYSA-N -1 0 323.439 3.716 20 0 DHADRM COc1ccccc1CCCNc1ccc(CCC(=O)[O-])cc1 ZINC001599708721 991333363 /nfs/dbraw/zinc/33/33/63/991333363.db2.gz MXCVUFYLPIVOPI-UHFFFAOYSA-N -1 0 313.397 3.757 20 0 DHADRM CN(C)c1ccc(NCCC(C)(C)C(=O)[O-])cc1C(F)(F)F ZINC001598325147 991342384 /nfs/dbraw/zinc/34/23/84/991342384.db2.gz HRDOUGLFGBQHNI-UHFFFAOYSA-N -1 0 318.339 3.684 20 0 DHADRM CC(C)[C@@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001591035664 991354142 /nfs/dbraw/zinc/35/41/42/991354142.db2.gz DUBWFAOKJKLSDT-LLVKDONJSA-N -1 0 302.296 3.645 20 0 DHADRM CC(C)[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001591045657 991423455 /nfs/dbraw/zinc/42/34/55/991423455.db2.gz NFMPRRVOLASYFP-NSHDSACASA-N -1 0 312.774 3.821 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591060946 991495678 /nfs/dbraw/zinc/49/56/78/991495678.db2.gz BVWGPOOOOGXOMF-BDJLRTHQSA-N -1 0 307.415 3.944 20 0 DHADRM COc1ccccc1[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599719312 991509419 /nfs/dbraw/zinc/50/94/19/991509419.db2.gz LHFHEYUKSIMYTR-ZETCQYMHSA-N -1 0 312.778 3.676 20 0 DHADRM CC(C)C1(NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC001591067728 991516383 /nfs/dbraw/zinc/51/63/83/991516383.db2.gz IFORQURUXCJULT-UHFFFAOYSA-N -1 0 318.398 3.910 20 0 DHADRM CC(C)C1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001591080952 991588954 /nfs/dbraw/zinc/58/89/54/991588954.db2.gz FRDKFWXOZKGFNY-UHFFFAOYSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591094002 991667275 /nfs/dbraw/zinc/66/72/75/991667275.db2.gz DWIXYVBLKRJJEQ-RHSMWYFYSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001591094890 991677282 /nfs/dbraw/zinc/67/72/82/991677282.db2.gz QBJNLAXNGIAVJG-OAHLLOKOSA-N -1 0 317.429 3.881 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1cncc(C(=O)[O-])n1 ZINC001591095278 991678462 /nfs/dbraw/zinc/67/84/62/991678462.db2.gz UGEAYJIMVLDQRA-SUMWQHHRSA-N -1 0 311.385 3.546 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001591134032 991836987 /nfs/dbraw/zinc/83/69/87/991836987.db2.gz NYGZRHBBVDTGNH-YQQAZPJKSA-N -1 0 319.445 3.507 20 0 DHADRM CN(C[C@H]1CC1(C)C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598447722 991891855 /nfs/dbraw/zinc/89/18/55/991891855.db2.gz HFFGMAGZAWVFBV-SECBINFHSA-N -1 0 310.781 3.548 20 0 DHADRM CN(C[C@H]1CC=CCC1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598453678 991918146 /nfs/dbraw/zinc/91/81/46/991918146.db2.gz UTJROKLXBDTQNX-JTQLQIEISA-N -1 0 314.307 3.591 20 0 DHADRM CC(C)CC1(C(=O)NCC2(CC(=O)[O-])CCCC2)CCCC1 ZINC001591193396 992011185 /nfs/dbraw/zinc/01/11/85/992011185.db2.gz ZCJPYTWVLWIOBL-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591204948 992026050 /nfs/dbraw/zinc/02/60/50/992026050.db2.gz CQEHAMWMIOCMJD-HNNXBMFYSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591206529 992035020 /nfs/dbraw/zinc/03/50/20/992035020.db2.gz VOAQQNYXACFNSU-HRCADAONSA-N -1 0 309.450 3.695 20 0 DHADRM CN(CCC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001598472178 992044495 /nfs/dbraw/zinc/04/44/95/992044495.db2.gz MDWRPCPCSZFWTI-UHFFFAOYSA-N -1 0 310.419 3.880 20 0 DHADRM CC(C)CCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001591229630 992114486 /nfs/dbraw/zinc/11/44/86/992114486.db2.gz VLWNNOXUKKXCRM-INIZCTEOSA-N -1 0 319.445 3.952 20 0 DHADRM CC(C)CCCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001591236381 992116646 /nfs/dbraw/zinc/11/66/46/992116646.db2.gz HERPQZIDKBRFRF-INIZCTEOSA-N -1 0 323.408 3.544 20 0 DHADRM CC(C)CCCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001591236506 992117780 /nfs/dbraw/zinc/11/77/80/992117780.db2.gz IQOJCKYABXGRCB-ZDUSSCGKSA-N -1 0 323.458 3.808 20 0 DHADRM CC(C)CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CCCC1 ZINC001591240408 992131538 /nfs/dbraw/zinc/13/15/38/992131538.db2.gz UMULGWBBRCOGLL-CSKARUKUSA-N -1 0 319.401 3.808 20 0 DHADRM CC(C)CCOc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591261232 992173315 /nfs/dbraw/zinc/17/33/15/992173315.db2.gz XIQFPNPCKOMTOS-UHFFFAOYSA-N -1 0 316.401 3.760 20 0 DHADRM CC(C)CCOc1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001591265903 992175243 /nfs/dbraw/zinc/17/52/43/992175243.db2.gz FDPWPSCAYNQOGU-UHFFFAOYSA-N -1 0 302.374 3.750 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001591270478 992190044 /nfs/dbraw/zinc/19/00/44/992190044.db2.gz SNJATGBAOSMHHS-UHFFFAOYSA-N -1 0 320.433 3.898 20 0 DHADRM CC(C)CN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(C)(C)C(=O)[O-] ZINC001591281507 992215810 /nfs/dbraw/zinc/21/58/10/992215810.db2.gz QGMWDBJQVSQFBM-OWCLPIDISA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)CN(C(=O)c1sccc1C1CC1)C(C)(C)C(=O)[O-] ZINC001591285221 992223649 /nfs/dbraw/zinc/22/36/49/992223649.db2.gz PYLQOQZFPKJGTB-UHFFFAOYSA-N -1 0 309.431 3.587 20 0 DHADRM CC(C)CN(C(=O)c1ccc(C2CCC2)cc1)C(C)(C)C(=O)[O-] ZINC001591285517 992224451 /nfs/dbraw/zinc/22/44/51/992224451.db2.gz VMBJEQYCPMCHCJ-UHFFFAOYSA-N -1 0 317.429 3.916 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC1CCCC1 ZINC001591309217 992265489 /nfs/dbraw/zinc/26/54/89/992265489.db2.gz PZFFXBYQJRNLDJ-UHFFFAOYSA-N -1 0 311.466 3.942 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC001591314129 992280166 /nfs/dbraw/zinc/28/01/66/992280166.db2.gz MKSACMCKTYELIN-UHFFFAOYSA-N -1 0 318.339 3.674 20 0 DHADRM CC(C)CN(Cc1csc(C(=O)[O-])c1)c1cccc(O)c1 ZINC001591349967 992338384 /nfs/dbraw/zinc/33/83/84/992338384.db2.gz YNOYFKHLJRSPHU-UHFFFAOYSA-N -1 0 305.399 3.815 20 0 DHADRM CC(C)COC(=O)Nc1cccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001591384902 992436518 /nfs/dbraw/zinc/43/65/18/992436518.db2.gz XWPMHHIKSIZJHN-IUODEOHRSA-N -1 0 320.389 3.556 20 0 DHADRM COc1ccccc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000022727343 1015709415 /nfs/dbraw/zinc/70/94/15/1015709415.db2.gz VHEHEVSLHDEAFG-RQZCQDPDSA-N -1 0 320.732 3.582 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591441580 992535791 /nfs/dbraw/zinc/53/57/91/992535791.db2.gz BABYLWDGLMHBGN-OAGGEKHMSA-N -1 0 317.429 3.637 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001591444736 992542800 /nfs/dbraw/zinc/54/28/00/992542800.db2.gz RBVLRXQVGUNJCN-JGGQBBKZSA-N -1 0 318.417 3.506 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1C1(C)CC1 ZINC001598512155 992575793 /nfs/dbraw/zinc/57/57/93/992575793.db2.gz PYUXKPNPTIPZBO-UHFFFAOYSA-N -1 0 323.392 3.709 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC001591476975 992596076 /nfs/dbraw/zinc/59/60/76/992596076.db2.gz CICLFJQTIVGSKN-CYBMUJFWSA-N -1 0 311.447 3.566 20 0 DHADRM CC(C)Cc1cc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ncn1 ZINC001591477349 992597223 /nfs/dbraw/zinc/59/72/23/992597223.db2.gz MXXXZCPRLHLITP-JKSUJKDBSA-N -1 0 311.385 3.607 20 0 DHADRM O=C(Nc1cccc(OC(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000210293449 1015726817 /nfs/dbraw/zinc/72/68/17/1015726817.db2.gz CUGBQCRBHJFMME-UHFFFAOYSA-N -1 0 313.687 3.899 20 0 DHADRM CCn1c(C)cc(C([O-])=C[S@](=O)CC2CCCCC2)c1C ZINC000341773918 1015729855 /nfs/dbraw/zinc/72/98/55/1015729855.db2.gz QMDLURNMRBIMHF-OAQYLSRUSA-N -1 0 309.475 3.637 20 0 DHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000341804899 1015742010 /nfs/dbraw/zinc/74/20/10/1015742010.db2.gz OLFIXJXVKQQEFW-AOMKIAJQSA-N -1 0 323.502 3.742 20 0 DHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000341804914 1015742136 /nfs/dbraw/zinc/74/21/36/1015742136.db2.gz OLFIXJXVKQQEFW-KSFYIVLOSA-N -1 0 323.502 3.742 20 0 DHADRM CN(Cc1nccc(Cl)c1Cl)c1ccccc1C(=O)[O-] ZINC001598538873 992875227 /nfs/dbraw/zinc/87/52/27/992875227.db2.gz XFLBAGOJOKDLHT-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM CN(OCc1ccccc1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598540226 992890686 /nfs/dbraw/zinc/89/06/86/992890686.db2.gz UDFHIHAKFJKYOA-HNNXBMFYSA-N -1 0 305.761 3.529 20 0 DHADRM CN(c1ccccc1NC1CC(CC(=O)[O-])C1)C1CCCC1 ZINC001598545592 992941562 /nfs/dbraw/zinc/94/15/62/992941562.db2.gz JBQARQJMWQVCOH-UHFFFAOYSA-N -1 0 302.418 3.731 20 0 DHADRM CN(c1ncc(C(=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC001598546836 992955660 /nfs/dbraw/zinc/95/56/60/992955660.db2.gz KMIMUHHEPCNAIG-CQSZACIVSA-N -1 0 302.761 3.557 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000341833860 1015761390 /nfs/dbraw/zinc/76/13/90/1015761390.db2.gz LSSWTXHLANVSJM-OPAMFIHVSA-N -1 0 323.502 3.742 20 0 DHADRM CC(C)[C@@H](C(=O)[N-]OCc1ccccn1)c1cccc(Cl)c1 ZINC000909535789 1015761571 /nfs/dbraw/zinc/76/15/71/1015761571.db2.gz OBHDUIQHQPDLCZ-MRXNPFEDSA-N -1 0 318.804 3.723 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000394029334 1015786021 /nfs/dbraw/zinc/78/60/21/1015786021.db2.gz HJVBQISHNXGKKT-UHFFFAOYSA-N -1 0 302.157 3.577 20 0 DHADRM COc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1SC ZINC001599597041 993762538 /nfs/dbraw/zinc/76/25/38/993762538.db2.gz FIYRRRSARUTBPO-NTZNESFSSA-N -1 0 309.431 3.718 20 0 DHADRM COc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597395 993766447 /nfs/dbraw/zinc/76/64/47/993766447.db2.gz MBMJRVVXTHVUIL-ZIAGYGMSSA-N -1 0 321.417 3.929 20 0 DHADRM COc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)c2ncccc12 ZINC001599597455 993766565 /nfs/dbraw/zinc/76/65/65/993766565.db2.gz SVUMOXXJIOHAPS-UHFFFAOYSA-N -1 0 322.364 3.862 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC001593114728 993793851 /nfs/dbraw/zinc/79/38/51/993793851.db2.gz AHVCBXGJEFUEDG-PSVSLLHZSA-N -1 0 320.364 3.614 20 0 DHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC(C)(C)C1 ZINC000458192666 1015820626 /nfs/dbraw/zinc/82/06/26/1015820626.db2.gz UEHXCTFQCDHUHI-UHFFFAOYSA-N -1 0 302.201 3.960 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cc2ccccc2s1 ZINC001593194723 994140303 /nfs/dbraw/zinc/14/03/03/994140303.db2.gz MDFBGAJAINFUMW-MEDUHNTESA-N -1 0 312.394 3.773 20 0 DHADRM C[C@@H](CC(=O)Nc1ncccc1O)c1ccccc1C(F)(F)F ZINC000341893351 1015837277 /nfs/dbraw/zinc/83/72/77/1015837277.db2.gz VITFALZZGFEWQL-JTQLQIEISA-N -1 0 324.302 3.938 20 0 DHADRM C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1nc(C(=O)[O-])co1 ZINC001593203235 994184963 /nfs/dbraw/zinc/18/49/63/994184963.db2.gz CIIZPQMBYIYGHF-GHMZBOCLSA-N -1 0 300.358 3.662 20 0 DHADRM C[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1csc2ccccc21 ZINC001593203664 994188301 /nfs/dbraw/zinc/18/83/01/994188301.db2.gz GAGHJBPSCWZBBJ-UWVGGRQHSA-N -1 0 316.382 3.999 20 0 DHADRM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1nc(C(=O)[O-])co1 ZINC001593209956 994243338 /nfs/dbraw/zinc/24/33/38/994243338.db2.gz OINRPCKRTISLSC-BMIGLBTASA-N -1 0 318.348 3.704 20 0 DHADRM COc1ccc2ccccc2c1CNc1cccc(C(=O)[O-])n1 ZINC001599635257 994278096 /nfs/dbraw/zinc/27/80/96/994278096.db2.gz NHVMBWCPTLHDHR-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1cc(C(=O)[O-])co1 ZINC001593231096 994371433 /nfs/dbraw/zinc/37/14/33/994371433.db2.gz IKLIFVNVXMLEFS-ZANVPECISA-N -1 0 321.760 3.806 20 0 DHADRM C[C@@H](N[C@H]1CCOc2c(Cl)cccc21)c1cc(C(=O)[O-])co1 ZINC001593231094 994371822 /nfs/dbraw/zinc/37/18/22/994371822.db2.gz IKLIFVNVXMLEFS-RNCFNFMXSA-N -1 0 321.760 3.806 20 0 DHADRM COc1cccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1 ZINC001599642275 994376228 /nfs/dbraw/zinc/37/62/28/994376228.db2.gz APAQSQLYIOLHJL-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM COc1cccc(C(=O)[O-])c1CSC[C@H]1CC1(Cl)Cl ZINC001599645697 994421434 /nfs/dbraw/zinc/42/14/34/994421434.db2.gz YGFXJDLSVRNTQF-MRVPVSSYSA-N -1 0 321.225 3.820 20 0 DHADRM COc1cccc(CC(=O)[O-])c1OCc1ccccc1Cl ZINC001599666489 994738454 /nfs/dbraw/zinc/73/84/54/994738454.db2.gz XFUFYHYSDWOYJQ-UHFFFAOYSA-N -1 0 306.745 3.555 20 0 DHADRM COc1cccc(CCCSc2nc(C(=O)[O-])cs2)c1 ZINC001599672423 994836938 /nfs/dbraw/zinc/83/69/38/994836938.db2.gz QUWDTZKXLWQCSR-UHFFFAOYSA-N -1 0 309.412 3.575 20 0 DHADRM COc1cccc(CCCNc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001599672458 994837440 /nfs/dbraw/zinc/83/74/40/994837440.db2.gz SAOXWVPCDIVONS-UHFFFAOYSA-N -1 0 321.323 3.716 20 0 DHADRM COc1cccc(OC)c1SCCc1ccccc1C(=O)[O-] ZINC001599681914 994995755 /nfs/dbraw/zinc/99/57/55/994995755.db2.gz NINSLPVTOGFRRD-UHFFFAOYSA-N -1 0 318.394 3.737 20 0 DHADRM C[C@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593360015 995020845 /nfs/dbraw/zinc/02/08/45/995020845.db2.gz MQUJJVTZRJVQGV-VQISRLSMSA-N -1 0 312.369 3.740 20 0 DHADRM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cc(C(=O)[O-])cs1 ZINC001593362830 995033890 /nfs/dbraw/zinc/03/38/90/995033890.db2.gz LVWZICYRONINPH-LLVKDONJSA-N -1 0 317.414 3.615 20 0 DHADRM C[C@H](Nc1ccc2nc(C(F)F)sc2c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365616 995041571 /nfs/dbraw/zinc/04/15/71/995041571.db2.gz CUBDOLIRPCWCFU-CNUIFLNQSA-N -1 0 312.341 3.755 20 0 DHADRM C[C@@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)C1CCCCC1 ZINC001593366172 995048528 /nfs/dbraw/zinc/04/85/28/995048528.db2.gz ULLGTRCBHQPLQU-GFCCVEGCSA-N -1 0 301.390 3.502 20 0 DHADRM C[C@H](Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1Cl ZINC001593367667 995059531 /nfs/dbraw/zinc/05/95/31/995059531.db2.gz QHBXAGWNJVXYHO-JTQLQIEISA-N -1 0 307.781 3.529 20 0 DHADRM C[C@H](O)c1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC001593477437 995420080 /nfs/dbraw/zinc/42/00/80/995420080.db2.gz RZJXFSJLTRWABY-VIFPVBQESA-N -1 0 323.751 3.843 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCCc2sccc21)c1cc(C(=O)[O-])co1 ZINC001593503648 995515792 /nfs/dbraw/zinc/51/57/92/995515792.db2.gz XMGZFVMSAIPMEG-JOYOIKCWSA-N -1 0 320.366 3.764 20 0 DHADRM C[C@H](OC(=O)CCCCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593513321 995522673 /nfs/dbraw/zinc/52/26/73/995522673.db2.gz BLQDUTYUAOLQPR-ZDUSSCGKSA-N -1 0 316.353 3.995 20 0 DHADRM C[C@@H](OC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccc(C(=O)[O-])o1 ZINC001593518059 995559608 /nfs/dbraw/zinc/55/96/08/995559608.db2.gz ZTNFBUJCFNUXMM-KRTXAFLBSA-N -1 0 321.156 3.556 20 0 DHADRM C[C@@H](OC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001593525236 995563043 /nfs/dbraw/zinc/56/30/43/995563043.db2.gz KMBVIKATXRXIMA-CYBMUJFWSA-N -1 0 324.376 3.597 20 0 DHADRM C[C@@H](OC(=O)CCCc1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001593526292 995567786 /nfs/dbraw/zinc/56/77/86/995567786.db2.gz VAOWCMFQGWNNDH-LLVKDONJSA-N -1 0 320.316 3.744 20 0 DHADRM C[C@@H](OC(=O)Cc1ccc(Cl)s1)c1ccc(C(=O)[O-])o1 ZINC001593535699 995598060 /nfs/dbraw/zinc/59/80/60/995598060.db2.gz YDSWHYVBJSKXKB-SSDOTTSWSA-N -1 0 314.746 3.540 20 0 DHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001593584539 995698207 /nfs/dbraw/zinc/69/82/07/995698207.db2.gz BOXOAWYLIGXHER-LBPRGKRZSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@@H](Oc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC001593633962 995924747 /nfs/dbraw/zinc/92/47/47/995924747.db2.gz LSPXGDNHJUYGLA-WDEREUQCSA-N -1 0 321.323 3.990 20 0 DHADRM C[C@H](SC[C@@H]1C[C@H]1c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593661700 996039418 /nfs/dbraw/zinc/03/94/18/996039418.db2.gz LRRJCVGLTRHVKH-DRZSPHRISA-N -1 0 303.383 3.971 20 0 DHADRM C[C@H](SCc1ccn(C2CCCC2)n1)c1nc(C(=O)[O-])co1 ZINC001593662780 996043014 /nfs/dbraw/zinc/04/30/14/996043014.db2.gz FRSDZSLQWOTHDV-JTQLQIEISA-N -1 0 321.402 3.679 20 0 DHADRM C[C@@H](Sc1ccc(C(F)(F)F)nn1)c1ccc(C(=O)[O-])o1 ZINC001593664240 996050007 /nfs/dbraw/zinc/05/00/07/996050007.db2.gz JLOHACKMCQMEAG-ZCFIWIBFSA-N -1 0 318.276 3.640 20 0 DHADRM C[C@@H](Sc1cccc2cccnc21)c1nc(C(=O)[O-])co1 ZINC001593668301 996062763 /nfs/dbraw/zinc/06/27/63/996062763.db2.gz PSJXTHPLIFFVNK-SECBINFHSA-N -1 0 300.339 3.774 20 0 DHADRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)C(C)(C)C ZINC001593680043 996105677 /nfs/dbraw/zinc/10/56/77/996105677.db2.gz UWXRYYIQIPHQDF-QMMMGPOBSA-N -1 0 307.371 3.622 20 0 DHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])s1)C1CC1 ZINC001593719872 996246467 /nfs/dbraw/zinc/24/64/67/996246467.db2.gz UKAICMYNMWBEQO-VIFPVBQESA-N -1 0 320.370 3.797 20 0 DHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CC(C)(C)c2c1cccc2Cl ZINC001593725816 996283059 /nfs/dbraw/zinc/28/30/59/996283059.db2.gz UMFBNMVJFDZEJH-SECBINFHSA-N -1 0 320.776 3.885 20 0 DHADRM C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001593732769 996314850 /nfs/dbraw/zinc/31/48/50/996314850.db2.gz YXGCCMNWMDGAOA-WCQYABFASA-N -1 0 308.447 3.805 20 0 DHADRM C[C@@H](c1cccs1)c1noc(-c2cccc(CC(=O)[O-])c2)n1 ZINC001593737325 996333999 /nfs/dbraw/zinc/33/39/99/996333999.db2.gz FYZDLALKHBZDRF-JTQLQIEISA-N -1 0 314.366 3.577 20 0 DHADRM Cc1c(C2CC2)nc2ccc(-c3cnn(C)c3)cc2c1C(=O)[O-] ZINC000657203053 1016024947 /nfs/dbraw/zinc/02/49/47/1016024947.db2.gz XCWZXPIPIQNFBO-UHFFFAOYSA-N -1 0 307.353 3.519 20 0 DHADRM C[C@@H](c1cccs1)c1noc([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001593739976 996354764 /nfs/dbraw/zinc/35/47/64/996354764.db2.gz NFFCIOVJHMWJRW-GARJFASQSA-N -1 0 306.387 3.641 20 0 DHADRM C[C@H](c1cccs1)c1noc([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001593739977 996354971 /nfs/dbraw/zinc/35/49/71/996354971.db2.gz NFFCIOVJHMWJRW-OUAUKWLOSA-N -1 0 306.387 3.641 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)C2(CC(C)C)CCC2)sc1C(=O)[O-] ZINC000236665660 1016027330 /nfs/dbraw/zinc/02/73/30/1016027330.db2.gz SFPDGCBDDGCWCE-LLVKDONJSA-N -1 0 324.446 3.543 20 0 DHADRM CC1(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)CC=CC1 ZINC001593761249 996420025 /nfs/dbraw/zinc/42/00/25/996420025.db2.gz CARLOBQMUMMCDP-UHFFFAOYSA-N -1 0 320.414 3.794 20 0 DHADRM COCCCOc1ccc(-c2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000657207122 1016041354 /nfs/dbraw/zinc/04/13/54/1016041354.db2.gz ILPILPJYEVRSBB-AWEZNQCLSA-N -1 0 314.381 3.957 20 0 DHADRM COc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)[O-])cc1CO ZINC000657207099 1016041455 /nfs/dbraw/zinc/04/14/55/1016041455.db2.gz UNZSQRPYJVXBJG-UHFFFAOYSA-N -1 0 314.381 3.850 20 0 DHADRM CC(C)(C)C(=O)c1ccc(-c2ccc(C(=O)[O-])cc2CO)cc1 ZINC000657207107 1016041482 /nfs/dbraw/zinc/04/14/82/1016041482.db2.gz VLZCWWVUPPRHAL-UHFFFAOYSA-N -1 0 312.365 3.773 20 0 DHADRM CC[C@H](Cc1ccccc1-c1cc(OC)ccc1CO)C(=O)[O-] ZINC000657207588 1016043844 /nfs/dbraw/zinc/04/38/44/1016043844.db2.gz AAJQGZXYZBOLSR-CYBMUJFWSA-N -1 0 314.381 3.508 20 0 DHADRM CCCOc1cncc(-c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000657206328 1016044107 /nfs/dbraw/zinc/04/41/07/1016044107.db2.gz JOFOHFVSWZLJDK-UHFFFAOYSA-N -1 0 321.760 3.654 20 0 DHADRM CC(C)(C(=O)[O-])c1ccccc1-c1cccc2c1OCCCO2 ZINC000657207671 1016044168 /nfs/dbraw/zinc/04/41/68/1016044168.db2.gz PPNNLBJFMBHXEV-UHFFFAOYSA-N -1 0 312.365 3.877 20 0 DHADRM CC1(C)CC(C(=O)N[C@H](C(=O)[O-])c2cccs2)CC(C)(C)C1 ZINC001593847352 996613953 /nfs/dbraw/zinc/61/39/53/996613953.db2.gz KXNQJJCASCZOER-ZDUSSCGKSA-N -1 0 323.458 3.843 20 0 DHADRM CC1(C)CC(C(=O)NC2(C(=O)[O-])CCCCC2)CC(C)(C)C1 ZINC001593847837 996615724 /nfs/dbraw/zinc/61/57/24/996615724.db2.gz XEVAAQDQYUXCAT-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM CC1(C)C[C@H](c2ccccc2)N(Cc2ncc(C(=O)[O-])s2)C1 ZINC001593862988 996661722 /nfs/dbraw/zinc/66/17/22/996661722.db2.gz 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996795077 /nfs/dbraw/zinc/79/50/77/996795077.db2.gz BBDINMCSNSTNTC-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM COc1ccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1 ZINC001599486111 996851086 /nfs/dbraw/zinc/85/10/86/996851086.db2.gz SQXPPRHCDKTJQL-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCC2CCCC2)c1F ZINC001599487408 996875489 /nfs/dbraw/zinc/87/54/89/996875489.db2.gz JMUCPFDQKLKKPW-UHFFFAOYSA-N -1 0 323.364 3.832 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)C=C2CCC(C)CC2)c1F ZINC001599487884 996885308 /nfs/dbraw/zinc/88/53/08/996885308.db2.gz MPMNNJXCLLSFFY-UHFFFAOYSA-N -1 0 321.348 3.608 20 0 DHADRM Cc1cc(Nc2cc(C)c(Br)cn2)cc(C(=O)[O-])c1 ZINC001211534714 1016074418 /nfs/dbraw/zinc/07/44/18/1016074418.db2.gz FOELYPFZFILPSH-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM COCc1cc(NCc2ccsc2Cl)cc(C(=O)[O-])c1 ZINC001599289283 997035644 /nfs/dbraw/zinc/03/56/44/997035644.db2.gz JCIMUQJWDIUFMJ-UHFFFAOYSA-N -1 0 311.790 3.858 20 0 DHADRM COc1cc(C)ccc1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599393826 997087477 /nfs/dbraw/zinc/08/74/77/997087477.db2.gz JJWSCKOESARLLP-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COCc1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599294649 997118442 /nfs/dbraw/zinc/11/84/42/997118442.db2.gz IKIBWXMVIIZZAT-UHFFFAOYSA-N -1 0 305.761 3.797 20 0 DHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1nc2ccccc2o1 ZINC001599400549 997207096 /nfs/dbraw/zinc/20/70/96/997207096.db2.gz OQFMWVRAXASLAT-VQHVLOKHSA-N -1 0 311.293 3.727 20 0 DHADRM COC1(CNc2ccc(SC)c(C(=O)[O-])c2)CCCCC1 ZINC001599091969 997208553 /nfs/dbraw/zinc/20/85/53/997208553.db2.gz VLWZOUNHWXTIIJ-UHFFFAOYSA-N -1 0 309.431 3.868 20 0 DHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccccc1CF ZINC001599401215 997218490 /nfs/dbraw/zinc/21/84/90/997218490.db2.gz UTFRTXDLGHKLFY-CLFYSBASSA-N -1 0 316.328 3.842 20 0 DHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599509184 997265899 /nfs/dbraw/zinc/26/58/99/997265899.db2.gz ZYLKDPYKBIAAIA-MRVPVSSYSA-N -1 0 324.716 3.558 20 0 DHADRM CC1(CC(=O)Nc2ncc(C(=O)[O-])cc2Cl)CCCCC1 ZINC001593998466 997327833 /nfs/dbraw/zinc/32/78/33/997327833.db2.gz OICKRTRFDLWCQP-UHFFFAOYSA-N -1 0 310.781 3.732 20 0 DHADRM C[C@]1(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]2C[C@H]2C1 ZINC001594020166 997524337 /nfs/dbraw/zinc/52/43/37/997524337.db2.gz JLWNNWOZWNJSAE-ORMTXKICSA-N -1 0 322.792 3.596 20 0 DHADRM CON(Cc1ccccc1Cl)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001599318525 997540672 /nfs/dbraw/zinc/54/06/72/997540672.db2.gz MSAMAGAPRVGZJU-GXTWGEPZSA-N -1 0 311.809 3.594 20 0 DHADRM CON(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599318625 997542780 /nfs/dbraw/zinc/54/27/80/997542780.db2.gz ODQFLSIPKVRUEY-UHFFFAOYSA-N -1 0 305.761 3.602 20 0 DHADRM CON(Cc1ccc(C)c(C(=O)[O-])c1)[C@@H](C)c1csc(C)n1 ZINC001599319288 997552838 /nfs/dbraw/zinc/55/28/38/997552838.db2.gz UPSUFJLQRFNOTQ-NSHDSACASA-N -1 0 320.414 3.583 20 0 DHADRM CON(Cc1cc(C(=O)[O-])sc1C)C[C@@H]1CCC[C@@H](C)C1 ZINC001599319267 997553352 /nfs/dbraw/zinc/55/33/52/997553352.db2.gz 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/nfs/dbraw/zinc/94/80/83/997948083.db2.gz MFUCLSOQLCIMBI-BBRMVZONSA-N -1 0 302.761 3.575 20 0 DHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccccc1CF ZINC001599547632 997951507 /nfs/dbraw/zinc/95/15/07/997951507.db2.gz XHHLHMIMVYSAJG-VQHVLOKHSA-N -1 0 316.328 3.842 20 0 DHADRM COc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1C(=O)[O-] ZINC001599343209 997956968 /nfs/dbraw/zinc/95/69/68/997956968.db2.gz VNIZUJURTJIJFY-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM COc1cc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cc2cccnc21 ZINC001599442926 997959773 /nfs/dbraw/zinc/95/97/73/997959773.db2.gz LUSPUCUPSZLBAV-LALPHHSUSA-N -1 0 314.385 3.545 20 0 DHADRM COc1cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc(OC)c1C ZINC001599443707 997972817 /nfs/dbraw/zinc/97/28/17/997972817.db2.gz XZIXBIBFEKIKTQ-NSHDSACASA-N -1 0 309.406 3.704 20 0 DHADRM C[C@@]1(c2ccccc2)CC[C@@H](Nc2cccc(CC(=O)[O-])n2)C1 ZINC001594079757 997974456 /nfs/dbraw/zinc/97/44/56/997974456.db2.gz QZTVXAWVIWQNDZ-VQIMIIECSA-N -1 0 310.397 3.631 20 0 DHADRM CC1=C(C)C[C@](C)(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001594109071 998189592 /nfs/dbraw/zinc/18/95/92/998189592.db2.gz DMHOVDDGWWKUNQ-GOSISDBHSA-N -1 0 319.376 3.918 20 0 DHADRM Cc1nc(COC(=O)[C@@]2(C)CCC(C)=C(C)C2)sc1C(=O)[O-] ZINC001594109435 998193381 /nfs/dbraw/zinc/19/33/81/998193381.db2.gz IFGVADGPHJZERP-INIZCTEOSA-N -1 0 323.414 3.720 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCc3c2cccc3C(=O)[O-])CC1 ZINC001594109456 998193669 /nfs/dbraw/zinc/19/36/69/998193669.db2.gz JARPNAMYJKGCBK-IBGZPJMESA-N -1 0 313.397 3.801 20 0 DHADRM CC1=C(C)C[C@H](C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])CC1 ZINC001594109866 998198738 /nfs/dbraw/zinc/19/87/38/998198738.db2.gz MXWYUCJRQBHSPJ-SNVBAGLBSA-N -1 0 309.312 3.738 20 0 DHADRM COc1cc(OCc2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC001599456877 998202348 /nfs/dbraw/zinc/20/23/48/998202348.db2.gz LWTQDWTWOKLJBX-UHFFFAOYSA-N -1 0 300.354 3.898 20 0 DHADRM CC1=C(C)CN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC001594110100 998204168 /nfs/dbraw/zinc/20/41/68/998204168.db2.gz PWCDMFPKSRRFMK-AWEZNQCLSA-N -1 0 324.218 3.617 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CC1 ZINC001594110589 998211513 /nfs/dbraw/zinc/21/15/13/998211513.db2.gz WLAQJRAMQCKVEZ-NSHDSACASA-N -1 0 320.414 3.794 20 0 DHADRM COc1ccc(-c2nccc(Oc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001599471000 998450431 /nfs/dbraw/zinc/45/04/31/998450431.db2.gz ISWGTYMVNHDVJV-UHFFFAOYSA-N -1 0 322.320 3.643 20 0 DHADRM COc1ccc(Cl)c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599577145 998463418 /nfs/dbraw/zinc/46/34/18/998463418.db2.gz TZWFBEAECGHYJT-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COC[C@H](CC(C)(C)C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599162977 998490734 /nfs/dbraw/zinc/49/07/34/998490734.db2.gz SCOCUMVIPMDHEK-LBPRGKRZSA-N -1 0 304.390 3.729 20 0 DHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599579383 998502848 /nfs/dbraw/zinc/50/28/48/998502848.db2.gz NWIMBCBNENBYJY-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc2c(cnn2C(F)F)c1 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1022325103 /nfs/dbraw/zinc/32/51/03/1022325103.db2.gz DLEKMPHCPOWBHI-AWEZNQCLSA-N -1 0 304.415 3.648 20 0 DHADRM O=C([O-])c1cc(Cl)cnc1N[C@H](C1CCC1)C(F)(F)F ZINC001169286311 1022338732 /nfs/dbraw/zinc/33/87/32/1022338732.db2.gz LUXKTMSXRKAQTO-SECBINFHSA-N -1 0 308.687 3.576 20 0 DHADRM O=C([N-]OCc1ccccc1)C1(c2ccc(F)cc2F)CCC1 ZINC000183484858 1022348606 /nfs/dbraw/zinc/34/86/06/1022348606.db2.gz FPGVXRTVJDSMJH-UHFFFAOYSA-N -1 0 317.335 3.635 20 0 DHADRM CSc1cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1Cl ZINC000634842081 1022352773 /nfs/dbraw/zinc/35/27/73/1022352773.db2.gz GBUZRZIDVRGGDZ-ZJUUUORDSA-N -1 0 313.806 3.501 20 0 DHADRM Cc1cc(Nc2cc(-c3ccccn3)c[nH]c2=O)ccc1C(=O)[O-] ZINC001211652571 1022405725 /nfs/dbraw/zinc/40/57/25/1022405725.db2.gz FMLZLGZDMHNDCG-UHFFFAOYSA-N -1 0 321.336 3.599 20 0 DHADRM Cc1c(Cl)cc(Br)cc1NCc1cc(=O)[n-]o1 ZINC001169485389 1022418147 /nfs/dbraw/zinc/41/81/47/1022418147.db2.gz KPFANWGPLZUXEL-UHFFFAOYSA-N -1 0 317.570 3.717 20 0 DHADRM COc1ccccc1-n1nccc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211652617 1022424514 /nfs/dbraw/zinc/42/45/14/1022424514.db2.gz HSJMFGFMWLCKAP-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281241 1022442209 /nfs/dbraw/zinc/44/22/09/1022442209.db2.gz NWOXGGVGSJOJPO-TZMCWYRMSA-N -1 0 313.401 3.937 20 0 DHADRM CCCOc1c(F)cc(F)c([N-]c2nc(C)ns2)c1F ZINC001212647008 1033051690 /nfs/dbraw/zinc/05/16/90/1033051690.db2.gz HAWNIDCABCNVHE-UHFFFAOYSA-N -1 0 303.309 3.796 20 0 DHADRM Cc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000156267728 1022452027 /nfs/dbraw/zinc/45/20/27/1022452027.db2.gz ADBRIOILFCTNGV-UHFFFAOYSA-N -1 0 321.735 3.519 20 0 DHADRM O=C(CSc1ccc2ccccc2c1)[N-]OCC(F)(F)F ZINC000766762755 1022470211 /nfs/dbraw/zinc/47/02/11/1022470211.db2.gz PSMPALAUAFNYGS-UHFFFAOYSA-N -1 0 315.316 3.542 20 0 DHADRM CCC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000195726253 1022496159 /nfs/dbraw/zinc/49/61/59/1022496159.db2.gz 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322.364 3.566 20 0 DHADRM CSc1cc(NC(=O)C2=C(C(=O)[O-])CCCC2)ccc1C ZINC000872877538 1031673122 /nfs/dbraw/zinc/67/31/22/1031673122.db2.gz XHGKZIYRCGKNII-UHFFFAOYSA-N -1 0 305.399 3.611 20 0 DHADRM C[C@H]1CCN(C(=O)C2=C(C(=O)[O-])CCCC2)[C@H](c2ccco2)C1 ZINC000872941492 1031679210 /nfs/dbraw/zinc/67/92/10/1031679210.db2.gz NMQORZNPAGWLQN-WFASDCNBSA-N -1 0 317.385 3.534 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC001625987994 1031724252 /nfs/dbraw/zinc/72/42/52/1031724252.db2.gz LKNMGAWEHQEEBF-SSDOTTSWSA-N -1 0 313.250 3.691 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(F)c(F)c1[O-])c1cccc(F)c1 ZINC001625987922 1031724426 /nfs/dbraw/zinc/72/44/26/1031724426.db2.gz ILXQNPFMFAZJJS-SECBINFHSA-N -1 0 309.287 3.942 20 0 DHADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)[C@H]1c1ccncc1 ZINC000293979471 1031734103 /nfs/dbraw/zinc/73/41/03/1031734103.db2.gz QWICPLAHJOGZKV-HNNXBMFYSA-N -1 0 316.788 3.664 20 0 DHADRM CC[C@@H](Nc1cccc(S(=O)(=O)[O-])c1)c1ccccc1C ZINC001171200882 1031746179 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CC(C)(C)Oc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000899850237 1034924326 /nfs/dbraw/zinc/92/43/26/1034924326.db2.gz DZXMSTQXMCPSCO-UHFFFAOYSA-N -1 0 307.390 3.693 20 0 DHADRM COC(=O)c1cscc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315245 1034928686 /nfs/dbraw/zinc/92/86/86/1034928686.db2.gz BECJWOBAQQRWSJ-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM O=C([O-])c1ccc(Nc2cncc(OC(F)F)c2)cc1Cl ZINC001175314777 1034929606 /nfs/dbraw/zinc/92/96/06/1034929606.db2.gz BDSKIBSGQAIOGC-UHFFFAOYSA-N -1 0 314.675 3.778 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(N3CCCC3)nc2)cc1Cl ZINC001175316284 1034930683 /nfs/dbraw/zinc/93/06/83/1034930683.db2.gz ORVWDKPSDOQFGS-UHFFFAOYSA-N -1 0 317.776 3.777 20 0 DHADRM Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(Cl)c2)nc1C ZINC001175316532 1034931099 /nfs/dbraw/zinc/93/10/99/1034931099.db2.gz WOGLBLCXMAQYHH-UHFFFAOYSA-N -1 0 312.156 3.842 20 0 DHADRM CCOC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319956 1034932239 /nfs/dbraw/zinc/93/22/39/1034932239.db2.gz KJEJLTROEHUUST-UHFFFAOYSA-N -1 0 319.744 3.959 20 0 DHADRM Nc1cccc2c1N(c1ccc(C(=O)[O-])c(Cl)c1)CCC2 ZINC001175319843 1034932734 /nfs/dbraw/zinc/93/27/34/1034932734.db2.gz CJOFJUTYGCJBGZ-UHFFFAOYSA-N -1 0 302.761 3.705 20 0 DHADRM Cc1cc2c(cccc2N)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322124 1034934329 /nfs/dbraw/zinc/93/43/29/1034934329.db2.gz UHPJFNDHJZLPFH-UHFFFAOYSA-N -1 0 300.745 3.873 20 0 DHADRM Cc1cnc(Br)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175327560 1034935568 /nfs/dbraw/zinc/93/55/68/1034935568.db2.gz NPQFRYACCUFYRU-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CNc1cccc(Br)c1Nc1cccc(C(=O)[O-])c1 ZINC001175331766 1034937051 /nfs/dbraw/zinc/93/70/51/1034937051.db2.gz MMOZXUMURNIODR-UHFFFAOYSA-N -1 0 321.174 3.933 20 0 DHADRM CC(C)CNC(=O)c1cccc(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175332623 1034939500 /nfs/dbraw/zinc/93/95/00/1034939500.db2.gz UUIGEEDZITUJKF-UHFFFAOYSA-N -1 0 312.369 3.514 20 0 DHADRM O=C([O-])c1cccc(Nc2cccc(O)c2Br)c1 ZINC001175334904 1034939581 /nfs/dbraw/zinc/93/95/81/1034939581.db2.gz 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ZINC001176347752 1035246405 /nfs/dbraw/zinc/24/64/05/1035246405.db2.gz ZFSVJRRHVPRQKR-UHFFFAOYSA-N -1 0 315.760 3.984 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCc2ccccc2C1 ZINC000194614350 1035258252 /nfs/dbraw/zinc/25/82/52/1035258252.db2.gz WWXROOVCMCXGBC-UHFFFAOYSA-N -1 0 319.763 3.773 20 0 DHADRM Nc1ccc(N(c2csc(C(=O)[O-])c2)C2CCCC2)nc1 ZINC001176435550 1035263139 /nfs/dbraw/zinc/26/31/39/1035263139.db2.gz DYHOKEVWBZZAFL-UHFFFAOYSA-N -1 0 303.387 3.504 20 0 DHADRM O=C([O-])c1cc(Nc2ccc(C(F)(F)F)cc2O)cs1 ZINC001176439372 1035263807 /nfs/dbraw/zinc/26/38/07/1035263807.db2.gz SZIBNLRVCLKAMZ-UHFFFAOYSA-N -1 0 303.261 3.914 20 0 DHADRM O=C([O-])c1cc(Nc2c(O)cccc2Br)cs1 ZINC001176439261 1035263909 /nfs/dbraw/zinc/26/39/09/1035263909.db2.gz NBTRUBIEQRIPIK-UHFFFAOYSA-N -1 0 314.160 3.658 20 0 DHADRM Nc1ccc(C(F)(F)F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176436848 1035264018 /nfs/dbraw/zinc/26/40/18/1035264018.db2.gz NACXUXJEVUJMPV-UHFFFAOYSA-N -1 0 302.277 3.791 20 0 DHADRM COC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1Cl ZINC001176436804 1035263923 /nfs/dbraw/zinc/26/39/23/1035263923.db2.gz LXLIJGJTAGKOSC-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM O=C([O-])c1cc(Nc2ccc(N3CCCCC3)nc2)cs1 ZINC001176436319 1035264053 /nfs/dbraw/zinc/26/40/53/1035264053.db2.gz KNFSYMMDQKTUTP-UHFFFAOYSA-N -1 0 303.387 3.575 20 0 DHADRM Cc1cc(C(F)(F)F)ncc1Nc1csc(C(=O)[O-])c1 ZINC001176436777 1035264099 /nfs/dbraw/zinc/26/40/99/1035264099.db2.gz NORIBOLYVIHGDO-UHFFFAOYSA-N -1 0 302.277 3.912 20 0 DHADRM Cc1ncc(Nc2csc(C(=O)[O-])c2)cc1Br ZINC001176437216 1035264109 /nfs/dbraw/zinc/26/41/09/1035264109.db2.gz SQFSFCNQPIIXHM-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1ncc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437551 1035264236 /nfs/dbraw/zinc/26/42/36/1035264236.db2.gz XWMKEPYXKZIYRP-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM COc1cccc2ncc(Nc3csc(C(=O)[O-])c3)cc21 ZINC001176437407 1035264267 /nfs/dbraw/zinc/26/42/67/1035264267.db2.gz YSKYSAJLSWDBRL-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COC(=O)c1cc(Nc2csc(C(=O)[O-])c2)c(C)cc1C ZINC001176441932 1035265045 /nfs/dbraw/zinc/26/50/45/1035265045.db2.gz YLMSNWZGVSBORV-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000483607023 1035282176 /nfs/dbraw/zinc/28/21/76/1035282176.db2.gz LVTONDAIMDNJMU-UHFFFAOYSA-N -1 0 318.442 3.779 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC001176581536 1035288622 /nfs/dbraw/zinc/28/86/22/1035288622.db2.gz HXRAPXRZLAEWDE-UHFFFAOYSA-N -1 0 322.286 3.960 20 0 DHADRM Cc1cn2c(cccc2Nc2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001176581234 1035288923 /nfs/dbraw/zinc/28/89/23/1035288923.db2.gz CFGHXLRNZBLMIH-UHFFFAOYSA-N -1 0 307.353 3.503 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cc(F)c(O)cc3F)cc2)CC1 ZINC001176588225 1035290641 /nfs/dbraw/zinc/29/06/41/1035290641.db2.gz HXELCOLBFSJXPO-UHFFFAOYSA-N -1 0 305.280 3.530 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cccc4c3C(=O)CC4)cc2)CC1 ZINC001176587911 1035290668 /nfs/dbraw/zinc/29/06/68/1035290668.db2.gz CBWCCRVQNRZTIS-UHFFFAOYSA-N -1 0 307.349 3.675 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)C(=O)CC4)cc2)CC1 ZINC001176587326 1035291181 /nfs/dbraw/zinc/29/11/81/1035291181.db2.gz YITMCUCLDVIIFR-UHFFFAOYSA-N -1 0 307.349 3.675 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cccc4c3CCCO4)cc2)CC1 ZINC001176588072 1035291216 /nfs/dbraw/zinc/29/12/16/1035291216.db2.gz HLGVCGQRECEWGD-UHFFFAOYSA-N -1 0 309.365 3.871 20 0 DHADRM O=C([O-])C=Cc1ccc(Nc2nc3c(s2)C(=O)CCC3)cc1 ZINC001176591592 1035291804 /nfs/dbraw/zinc/29/18/04/1035291804.db2.gz MANNYWAZNHBDST-RMKNXTFCSA-N -1 0 314.366 3.504 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3ccc(CO)c(Cl)c3)cc2)CC1 ZINC001176591354 1035291918 /nfs/dbraw/zinc/29/19/18/1035291918.db2.gz YZPCIDSMIHUSKC-UHFFFAOYSA-N -1 0 317.772 3.692 20 0 DHADRM CC(C)(C)c1nnc(Nc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC001176591954 1035291944 /nfs/dbraw/zinc/29/19/44/1035291944.db2.gz QHNRBHPSJLEHHX-RMKNXTFCSA-N -1 0 303.387 3.677 20 0 DHADRM CCOC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176595383 1035292484 /nfs/dbraw/zinc/29/24/84/1035292484.db2.gz NTDQCUUCNPWRKB-LFYBBSHMSA-N -1 0 311.337 3.705 20 0 DHADRM COc1ccc(C(C)=O)c(Nc2ccc(C=CC(=O)[O-])cc2)c1 ZINC001176595279 1035292563 /nfs/dbraw/zinc/29/25/63/1035292563.db2.gz HUNKNLFIUVLBDK-BJMVGYQFSA-N -1 0 311.337 3.739 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(-c3nnco3)cc2)cc1 ZINC001176595619 1035292867 /nfs/dbraw/zinc/29/28/67/1035292867.db2.gz REHIYALJUURIPA-XCVCLJGOSA-N -1 0 307.309 3.578 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cccnc2-c2ccccn2)cc1 ZINC001176593282 1035293007 /nfs/dbraw/zinc/29/30/07/1035293007.db2.gz YOXKWLGRGNFWTK-DHZHZOJOSA-N -1 0 317.348 3.985 20 0 DHADRM COc1ccc2c(c1Nc1c(F)cc(F)c([O-])c1F)C(=O)CC2 ZINC001176670403 1035310126 /nfs/dbraw/zinc/31/01/26/1035310126.db2.gz GLJNOBHVSPPWTH-UHFFFAOYSA-N -1 0 323.270 3.691 20 0 DHADRM Cc1cc(C)cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000484063819 1035318322 /nfs/dbraw/zinc/31/83/22/1035318322.db2.gz HDFXYWLEAHUJHX-UHFFFAOYSA-N -1 0 319.364 3.510 20 0 DHADRM O=C([O-])c1cccc(CC(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000668320075 1035321286 /nfs/dbraw/zinc/32/12/86/1035321286.db2.gz RWKMUGZTRKSLRP-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)NCc1ccc(C2CCC2)cc1 ZINC000668319367 1035323024 /nfs/dbraw/zinc/32/30/24/1035323024.db2.gz GUVNJNYQTQSYAI-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM CC(C)N(C(=O)CCc1ccccc1C(=O)[O-])C1CC(C)(C)C1 ZINC000668325168 1035323345 /nfs/dbraw/zinc/32/33/45/1035323345.db2.gz KBHVOXFTNBLQLH-UHFFFAOYSA-N -1 0 317.429 3.743 20 0 DHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])cc3)n(C)n2)cc1 ZINC001176706967 1035325325 /nfs/dbraw/zinc/32/53/25/1035325325.db2.gz CRJZYPVMYJCPRH-UHFFFAOYSA-N -1 0 323.352 3.538 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC001176707480 1035325582 /nfs/dbraw/zinc/32/55/82/1035325582.db2.gz HSBKIFHIZBXUHD-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176710421 1035325610 /nfs/dbraw/zinc/32/56/10/1035325610.db2.gz JGQTXCXRBDZNBT-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM CCc1ncc(Br)cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176710826 1035325884 /nfs/dbraw/zinc/32/58/84/1035325884.db2.gz OSDWOCOWMRBCNG-UHFFFAOYSA-N -1 0 321.174 3.848 20 0 DHADRM Cc1cnn(-c2cccc(C)c2)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176711290 1035326103 /nfs/dbraw/zinc/32/61/03/1035326103.db2.gz VMUOACLGAJGWLF-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176712075 1035326405 /nfs/dbraw/zinc/32/64/05/1035326405.db2.gz YDARIPDHWSUPHO-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CC1(C)CC(=O)Nc2cc(Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC001176714271 1035326513 /nfs/dbraw/zinc/32/65/13/1035326513.db2.gz ACXBQTDAXWOWFP-UHFFFAOYSA-N -1 0 310.353 3.748 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC001176712256 1035326629 /nfs/dbraw/zinc/32/66/29/1035326629.db2.gz LGYUBGFZIWZICD-UHFFFAOYSA-N -1 0 324.380 3.801 20 0 DHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001176714290 1035326659 /nfs/dbraw/zinc/32/66/59/1035326659.db2.gz ASIKNXZELNZZJL-UHFFFAOYSA-N -1 0 305.717 3.568 20 0 DHADRM CCc1nocc1CNc1ccc(C[C@H](CC)C(=O)[O-])cc1 ZINC000904015038 1035339015 /nfs/dbraw/zinc/33/90/15/1035339015.db2.gz CINQPTGUYQAAIJ-ZDUSSCGKSA-N -1 0 302.374 3.502 20 0 DHADRM CC[C@@H](Cc1ccc(NCc2nc(C(C)C)c[nH]2)cc1)C(=O)[O-] ZINC000904015198 1035339336 /nfs/dbraw/zinc/33/93/36/1035339336.db2.gz ITBZONKQVYBVLS-AWEZNQCLSA-N -1 0 315.417 3.799 20 0 DHADRM COCCCCc1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000903997529 1035339423 /nfs/dbraw/zinc/33/94/23/1035339423.db2.gz XQRHSMFKLQIGAL-UHFFFAOYSA-N -1 0 317.172 3.718 20 0 DHADRM CC[C@H](Cc1ccc(NCc2cn3ccccc3n2)cc1)C(=O)[O-] ZINC000904015743 1035339863 /nfs/dbraw/zinc/33/98/63/1035339863.db2.gz WBMMOIVNDAYYQD-OAHLLOKOSA-N -1 0 323.396 3.600 20 0 DHADRM CCc1ncc(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)s1 ZINC000904015674 1035340209 /nfs/dbraw/zinc/34/02/09/1035340209.db2.gz UXZYSYFPPSIAQU-ZDUSSCGKSA-N -1 0 318.442 3.971 20 0 DHADRM CC(C)CCC[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000904037155 1035349198 /nfs/dbraw/zinc/34/91/98/1035349198.db2.gz WMUREJNWSLJLQY-INIZCTEOSA-N -1 0 316.401 3.711 20 0 DHADRM CCOc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904194834 1035383606 /nfs/dbraw/zinc/38/36/06/1035383606.db2.gz MSBLCKOVHYQRKK-UONOGXRCSA-N -1 0 324.808 3.729 20 0 DHADRM Cc1cc(OC(C)C)ccc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904195625 1035383684 /nfs/dbraw/zinc/38/36/84/1035383684.db2.gz VEUXGTGYVAFAGF-HZPDHXFCSA-N -1 0 318.417 3.773 20 0 DHADRM CSCCc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904198861 1035384239 /nfs/dbraw/zinc/38/42/39/1035384239.db2.gz DLLBNFQEOZGPRH-HUUCEWRRSA-N -1 0 320.458 3.583 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1 ZINC000904198707 1035384314 /nfs/dbraw/zinc/38/43/14/1035384314.db2.gz JRISQKOGLOPSNK-MAZHCROVSA-N -1 0 318.417 3.855 20 0 DHADRM CC(C)OCc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904198358 1035384626 /nfs/dbraw/zinc/38/46/26/1035384626.db2.gz ARRYCPNEFNVMKF-HZPDHXFCSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)OCc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904200277 1035384690 /nfs/dbraw/zinc/38/46/90/1035384690.db2.gz WYQXKCWMZYWONQ-HZPDHXFCSA-N -1 0 318.417 3.602 20 0 DHADRM Cc1sc([C@@H](C)N[C@@H](C)C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000904224397 1035385781 /nfs/dbraw/zinc/38/57/81/1035385781.db2.gz VRMCTPWPTNIJNF-BDAKNGLRSA-N -1 0 324.833 3.896 20 0 DHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc3ccsc32)C12CCC2 ZINC000904230099 1035386582 /nfs/dbraw/zinc/38/65/82/1035386582.db2.gz YEOFEKDLXNTSCU-CHWSQXEVSA-N -1 0 302.399 3.892 20 0 DHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C=C(C)c2cccs2)c1 ZINC001178433156 1035425469 /nfs/dbraw/zinc/42/54/69/1035425469.db2.gz LXZBDPGJPOYJNE-RMKNXTFCSA-N -1 0 319.357 3.837 20 0 DHADRM O=C(NCC1CCC=CCC1)c1cccc(Br)c1[O-] ZINC001178581109 1035435562 /nfs/dbraw/zinc/43/55/62/1035435562.db2.gz OXRQDVSAJLRBRX-UHFFFAOYSA-N -1 0 324.218 3.631 20 0 DHADRM CC[C@H](C)Sc1ccc(-c2nc(=O)c3nscc3[n-]2)cc1 ZINC000905031646 1035477677 /nfs/dbraw/zinc/47/76/77/1035477677.db2.gz LMVPGACQJLCTBO-VIFPVBQESA-N -1 0 317.439 3.937 20 0 DHADRM C[C@]12CN(C(=O)c3ccc(Cl)c([O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001179444558 1035478003 /nfs/dbraw/zinc/47/80/03/1035478003.db2.gz IRXGSPXYCDXXBV-YRZLHWLASA-N -1 0 305.805 3.554 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1N[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000905713403 1035620653 /nfs/dbraw/zinc/62/06/53/1035620653.db2.gz DGLUMQYOZDZECF-RRFJBIMHSA-N -1 0 303.402 3.619 20 0 DHADRM Cc1cccc2c1CCN(C(=O)c1ccc3[n-]c(=S)oc3c1)C2 ZINC000174633456 1035626070 /nfs/dbraw/zinc/62/60/70/1035626070.db2.gz PZRJWNGEFCUOAM-UHFFFAOYSA-N -1 0 324.405 3.623 20 0 DHADRM C/C(=C/c1ccccc1)C[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000905799132 1035656933 /nfs/dbraw/zinc/65/69/33/1035656933.db2.gz PTBHMRNVMPVXHF-PTNGSMBKSA-N -1 0 323.392 3.683 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001180438135 1035674454 /nfs/dbraw/zinc/67/44/54/1035674454.db2.gz CRXHMDZPHQSZFF-UHFFFAOYSA-N -1 0 317.429 3.635 20 0 DHADRM C[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000669818837 1035687415 /nfs/dbraw/zinc/68/74/15/1035687415.db2.gz NHBPRYRXIFZMQR-PXAZEXFGSA-N -1 0 323.458 3.987 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2ccc(F)c([O-])c2F)cc1C ZINC001193784916 1035722659 /nfs/dbraw/zinc/72/26/59/1035722659.db2.gz UKWDVXQVHFIBOE-UHFFFAOYSA-N -1 0 305.324 3.559 20 0 DHADRM O=C(c1ccc(F)c([O-])c1F)N1CCC[C@@H]1C1CCCCC1 ZINC001193779270 1035722992 /nfs/dbraw/zinc/72/29/92/1035722992.db2.gz MYNXYCNWFQFVHC-CQSZACIVSA-N -1 0 309.356 3.855 20 0 DHADRM Cc1cc(Cl)c(NC(=O)c2ccc(F)c([O-])c2F)cc1O ZINC001193788869 1035725819 /nfs/dbraw/zinc/72/58/19/1035725819.db2.gz HLUQEULJPNTLTN-UHFFFAOYSA-N -1 0 313.687 3.590 20 0 DHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1)c1ccco1 ZINC000191804165 1035735214 /nfs/dbraw/zinc/73/52/14/1035735214.db2.gz CMQUXSLRTGZWLU-UHFFFAOYSA-N -1 0 310.133 3.526 20 0 DHADRM 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CC(C)(C)Oc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000588162203 1038240768 /nfs/dbraw/zinc/24/07/68/1038240768.db2.gz FFTARYIQPNSYPB-UHFFFAOYSA-N -1 0 323.396 3.948 20 0 DHADRM O=C([O-])c1ccc(Nc2cnccc2OC(F)(F)F)c(F)c1 ZINC001203288121 1038408700 /nfs/dbraw/zinc/40/87/00/1038408700.db2.gz OBMHBYSYSLHWLB-UHFFFAOYSA-N -1 0 316.210 3.561 20 0 DHADRM O=S(=O)(CC1CCCC1)Nc1ccc(Cl)cc1[S-] ZINC001191526221 1038515403 /nfs/dbraw/zinc/51/54/03/1038515403.db2.gz BKOVZLAUOMDWJZ-UHFFFAOYSA-N -1 0 305.852 3.561 20 0 DHADRM O=S(=O)(CC1CCCC1)[N-]c1ccc(Cl)c2cccnc12 ZINC001191536075 1038517294 /nfs/dbraw/zinc/51/72/94/1038517294.db2.gz WKGDHSKULHEVDC-UHFFFAOYSA-N -1 0 324.833 3.820 20 0 DHADRM CCC[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000589938278 1038555773 /nfs/dbraw/zinc/55/57/73/1038555773.db2.gz OCNSYWSPEOMJLX-ZDUSSCGKSA-N -1 0 317.458 3.780 20 0 DHADRM CC(=O)Nc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203292982 1038638856 /nfs/dbraw/zinc/63/88/56/1038638856.db2.gz POFBAJLIXZNBPP-UHFFFAOYSA-N -1 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ZINC000514873965 1039466049 /nfs/dbraw/zinc/46/60/49/1039466049.db2.gz VOAWCXTWBLMRLQ-UHFFFAOYSA-N -1 0 318.344 3.996 20 0 DHADRM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000761022200 1039548883 /nfs/dbraw/zinc/54/88/83/1039548883.db2.gz WWCZMFFCQVTTDQ-QMMMGPOBSA-N -1 0 318.320 3.577 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2cccc(CCC(=O)[O-])c2)c1 ZINC000514950460 1039556545 /nfs/dbraw/zinc/55/65/45/1039556545.db2.gz NHOQNBXTZLZAAP-AWEZNQCLSA-N -1 0 314.381 3.785 20 0 DHADRM O=C([O-])CCCCNC(=O)Nc1cccc(C(F)F)c1Cl ZINC000669503297 1039609389 /nfs/dbraw/zinc/60/93/89/1039609389.db2.gz RYUZPBAOSWFJSL-UHFFFAOYSA-N -1 0 320.723 3.654 20 0 DHADRM CCOc1cc(C)ccc1CNC(=O)c1cccc(Cl)c1[O-] ZINC001127158572 1039640478 /nfs/dbraw/zinc/64/04/78/1039640478.db2.gz YNJNWKIOJDXAGA-UHFFFAOYSA-N -1 0 319.788 3.683 20 0 DHADRM O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)c([O-])cc1F ZINC000574423851 1039640903 /nfs/dbraw/zinc/64/09/03/1039640903.db2.gz VSEVGSYJDGOVFF-UHFFFAOYSA-N -1 0 318.735 3.847 20 0 DHADRM C[C@H](NCc1cccc(Cl)c1[O-])c1nc(C(C)(C)C)no1 ZINC000191571607 1039665689 /nfs/dbraw/zinc/66/56/89/1039665689.db2.gz HVGFJVICORTFEJ-VIFPVBQESA-N -1 0 309.797 3.577 20 0 DHADRM CC(C)(C)c1nc(=NC(=O)CC/C=C\c2ccccc2)s[n-]1 ZINC000606188867 1039784650 /nfs/dbraw/zinc/78/46/50/1039784650.db2.gz GQWZCIAXZVEWTF-XFFZJAGNSA-N -1 0 315.442 3.690 20 0 DHADRM CCOc1ccccc1CN(C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000515491058 1039908235 /nfs/dbraw/zinc/90/82/35/1039908235.db2.gz VGMJGIYVJFKUOC-GFCCVEGCSA-N -1 0 317.385 3.878 20 0 DHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccccc2F)c1)C(=O)[O-] ZINC000062692795 1039946888 /nfs/dbraw/zinc/94/68/88/1039946888.db2.gz ATAMCWZTUKOSSF-VMPCVLLUSA-N -1 0 314.312 3.574 20 0 DHADRM O=C([O-])c1cc(/C=C/c2cnc3ccccn23)nc2ccccc21 ZINC000607059401 1040086886 /nfs/dbraw/zinc/08/68/86/1040086886.db2.gz ZIDGFXTUOLCKOM-CMDGGOBGSA-N -1 0 315.332 3.751 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000575185209 1040183766 /nfs/dbraw/zinc/18/37/66/1040183766.db2.gz QTPPWFCYFCZFMP-MRXNPFEDSA-N -1 0 320.389 3.640 20 0 DHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000046927430 1040187508 /nfs/dbraw/zinc/18/75/08/1040187508.db2.gz PMXFYAUOQWXOKE-MRXNPFEDSA-N -1 0 317.410 3.834 20 0 DHADRM C[C@H](Oc1cccc(/C=C/C(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC000060212453 1040491893 /nfs/dbraw/zinc/49/18/93/1040491893.db2.gz HUNZXKRTQCJDKP-BCPZQOPPSA-N -1 0 314.312 3.574 20 0 DHADRM C[C@H](c1ccco1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174578753 1040671131 /nfs/dbraw/zinc/67/11/31/1040671131.db2.gz JSVAOHKLJPJKHT-SECBINFHSA-N -1 0 302.355 3.543 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1C(C)C ZINC000456295457 1040765599 /nfs/dbraw/zinc/76/55/99/1040765599.db2.gz BKERPQJJGFQGGS-HZMBPMFUSA-N -1 0 315.335 3.562 20 0 DHADRM CC(C)C[C@H](Cc1cccc(-c2c[nH]c(=O)c(F)c2)c1)C(=O)[O-] ZINC000517247499 1040824643 /nfs/dbraw/zinc/82/46/43/1040824643.db2.gz NGXFATODVADYOY-CQSZACIVSA-N -1 0 317.360 3.883 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456566854 1040868740 /nfs/dbraw/zinc/86/87/40/1040868740.db2.gz KZGQPMPPVGJWMR-OAHLLOKOSA-N -1 0 319.307 3.631 20 0 DHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(O)c(F)c2F)cs1 ZINC000456780290 1040918029 /nfs/dbraw/zinc/91/80/29/1040918029.db2.gz BOWHSFDDHRFYTM-UHFFFAOYSA-N -1 0 312.341 3.677 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000602329787 1040971619 /nfs/dbraw/zinc/97/16/19/1040971619.db2.gz HVUNNGRKEUVBEP-KRWDZBQOSA-N -1 0 317.335 3.860 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CC12CCCC2 ZINC000457153179 1041033492 /nfs/dbraw/zinc/03/34/92/1041033492.db2.gz YSCVZCJBKIPAIJ-HNNXBMFYSA-N -1 0 309.356 3.711 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])[C@H]1CCCc2sccc21 ZINC000457286847 1041069498 /nfs/dbraw/zinc/06/94/98/1041069498.db2.gz FQCRTZDWIYOYMI-VIFPVBQESA-N -1 0 309.337 3.791 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(F)c(F)c1F ZINC000170212356 1041121744 /nfs/dbraw/zinc/12/17/44/1041121744.db2.gz 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ZINC000236769333 202001088 /nfs/dbraw/zinc/00/10/88/202001088.db2.gz ZMZCOOGOVVZSHC-JTQLQIEISA-N -1 0 312.435 3.543 20 0 DHADRM Cc1nc(-c2ccncc2)nc(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000073682587 191342121 /nfs/dbraw/zinc/34/21/21/191342121.db2.gz OIMZUZKECKRLNW-UHFFFAOYSA-N -1 0 321.336 3.646 20 0 DHADRM CCC[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236839434 202034649 /nfs/dbraw/zinc/03/46/49/202034649.db2.gz KRBAVTLETKCPTF-NVXWUHKLSA-N -1 0 317.429 3.674 20 0 DHADRM CCC[C@](C)(NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000236851038 202037058 /nfs/dbraw/zinc/03/70/58/202037058.db2.gz FEYCXBIKGVSJHX-INIZCTEOSA-N -1 0 323.389 3.722 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000236876417 202047548 /nfs/dbraw/zinc/04/75/48/202047548.db2.gz HCRZVGNKYGYXGH-INIZCTEOSA-N -1 0 309.450 3.696 20 0 DHADRM CCC(CC)(CNC(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC000236883206 202050864 /nfs/dbraw/zinc/05/08/64/202050864.db2.gz ZKACVHNPSDNALO-UHFFFAOYSA-N -1 0 305.418 3.605 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000236916637 202071223 /nfs/dbraw/zinc/07/12/23/202071223.db2.gz RHBWHGQAKFSAOM-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM CCCc1sc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1CC ZINC000236951545 202089514 /nfs/dbraw/zinc/08/95/14/202089514.db2.gz IXXPKLMZSPEZKI-LLVKDONJSA-N -1 0 323.458 3.588 20 0 DHADRM CCC[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236999293 202116366 /nfs/dbraw/zinc/11/63/66/202116366.db2.gz XILHNNJBYSKIQQ-LBPRGKRZSA-N -1 0 315.369 3.678 20 0 DHADRM CCc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000005877661 181292534 /nfs/dbraw/zinc/29/25/34/181292534.db2.gz VQDZXPSAAVJMIU-UHFFFAOYSA-N -1 0 300.383 3.756 20 0 DHADRM CSCc1cnc(CNc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000417569148 334989738 /nfs/dbraw/zinc/98/97/38/334989738.db2.gz PYUDHQOTWBWGMX-UHFFFAOYSA-N -1 0 308.428 3.625 20 0 DHADRM CCc1oc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000191416624 334992202 /nfs/dbraw/zinc/99/22/02/334992202.db2.gz FYGOYLFACNRONU-LBPRGKRZSA-N -1 0 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O=C([O-])c1ccccc1CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000262270676 337616254 /nfs/dbraw/zinc/61/62/54/337616254.db2.gz XXBPYMJUTDMRRV-LJQANCHMSA-N -1 0 323.392 3.585 20 0 DHADRM C[C@H](c1ccccc1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262276598 337616334 /nfs/dbraw/zinc/61/63/34/337616334.db2.gz YYJZGHNJNJDPKO-CQSZACIVSA-N -1 0 311.381 3.537 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCC3(CCCCC3)C2)c(F)c1 ZINC000262317428 337616879 /nfs/dbraw/zinc/61/68/79/337616879.db2.gz CEODZWCAUAHHOD-UHFFFAOYSA-N -1 0 319.376 3.710 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000262425857 337617553 /nfs/dbraw/zinc/61/75/53/337617553.db2.gz DIANBBMVNDFZKV-QGZVFWFLSA-N -1 0 323.392 3.717 20 0 DHADRM C[C@]1(NC(=O)c2ccc3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000262728714 337620869 /nfs/dbraw/zinc/62/08/69/337620869.db2.gz HSAIFYWDQJUEPI-APWZRJJASA-N -1 0 311.381 3.603 20 0 DHADRM C[C@]1(NC(=O)CC/C=C/c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC000262804821 337621467 /nfs/dbraw/zinc/62/14/67/337621467.db2.gz OPQUGQZVMOHOAN-KGFLOCFVSA-N -1 0 315.413 3.630 20 0 DHADRM CCc1ccc(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000262810725 337621592 /nfs/dbraw/zinc/62/15/92/337621592.db2.gz ACHAGISIQBWLJX-CYBMUJFWSA-N -1 0 311.381 3.618 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1Nc1ccccc1 ZINC000262835026 337621902 /nfs/dbraw/zinc/62/19/02/337621902.db2.gz BOZUFYQRZZTYKL-OAHLLOKOSA-N -1 0 324.380 3.510 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(-c2ccoc2)c1 ZINC000262855552 337621994 /nfs/dbraw/zinc/62/19/94/337621994.db2.gz CNWVMJFMAWWPKS-UHFFFAOYSA-N -1 0 315.369 3.710 20 0 DHADRM CC(C)(CCNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000262948075 337622567 /nfs/dbraw/zinc/62/25/67/337622567.db2.gz IFPHLZNVJYLRNM-UHFFFAOYSA-N -1 0 324.380 3.552 20 0 DHADRM CC(C)[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000262977221 337622763 /nfs/dbraw/zinc/62/27/63/337622763.db2.gz PCDZUVAKTTZKAT-ZBFHGGJFSA-N -1 0 323.820 3.545 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000263005811 337622913 /nfs/dbraw/zinc/62/29/13/337622913.db2.gz RQPDOGNYFGPIGJ-KRWDZBQOSA-N -1 0 315.413 3.814 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(C2CCC2)c1 ZINC000263008440 337623050 /nfs/dbraw/zinc/62/30/50/337623050.db2.gz HEXXMEGWIVLGBQ-UHFFFAOYSA-N -1 0 304.390 3.719 20 0 DHADRM COCc1cc(NC(=O)C[C@@H](C)CC(C)C)cc(C(=O)[O-])c1 ZINC000263020356 337623168 /nfs/dbraw/zinc/62/31/68/337623168.db2.gz AJEGAOFWJISRIF-LBPRGKRZSA-N -1 0 307.390 3.542 20 0 DHADRM CCc1ccccc1CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263047123 337623526 /nfs/dbraw/zinc/62/35/26/337623526.db2.gz DOSADSMFCCZPHT-ZDUSSCGKSA-N -1 0 311.381 3.618 20 0 DHADRM CCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1CC ZINC000263081815 337624060 /nfs/dbraw/zinc/62/40/60/337624060.db2.gz RIKFZRDRBNHCKK-UHFFFAOYSA-N -1 0 318.417 3.576 20 0 DHADRM CC(C)(C)Oc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000263083172 337624085 /nfs/dbraw/zinc/62/40/85/337624085.db2.gz RKDNWEZCAFFXKI-UHFFFAOYSA-N -1 0 322.405 3.629 20 0 DHADRM Cc1scc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1C ZINC000263078002 337624117 /nfs/dbraw/zinc/62/41/17/337624117.db2.gz POOFGVFWPYLBRB-OAHLLOKOSA-N -1 0 317.410 3.537 20 0 DHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000263152533 337624902 /nfs/dbraw/zinc/62/49/02/337624902.db2.gz JCTLFEJUPXKCBW-VXGQWTEUSA-N -1 0 309.450 3.551 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C ZINC000263204973 337625420 /nfs/dbraw/zinc/62/54/20/337625420.db2.gz YAGBNWPZXIAUSJ-BXKDBHETSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1 ZINC000263348146 337626681 /nfs/dbraw/zinc/62/66/81/337626681.db2.gz UTUPTMDDIMMQHW-KDOFPFPSSA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263364103 337626839 /nfs/dbraw/zinc/62/68/39/337626839.db2.gz ZGOVVRBMEWMKGP-KGLIPLIRSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)c1nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cs1 ZINC000263362055 337626897 /nfs/dbraw/zinc/62/68/97/337626897.db2.gz YRGKLKCMIWSKKO-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM O=C([O-])c1cccc(CN(CC2CCC2)CC(F)(F)F)c1 ZINC000263457504 337629801 /nfs/dbraw/zinc/62/98/01/337629801.db2.gz HVPMUTWRDNLTMH-UHFFFAOYSA-N -1 0 301.308 3.549 20 0 DHADRM CCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263546684 337631526 /nfs/dbraw/zinc/63/15/26/337631526.db2.gz UKWDGMQJGIGUON-DOMZBBRYSA-N -1 0 323.458 3.867 20 0 DHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000191375046 337677568 /nfs/dbraw/zinc/67/75/68/337677568.db2.gz QHNVAUIAGSRVMM-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000191349577 337677803 /nfs/dbraw/zinc/67/78/03/337677803.db2.gz PZKQCEALZJTSFM-UHFFFAOYSA-N -1 0 307.346 3.502 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1)C(=O)[O-] ZINC000191401598 337678871 /nfs/dbraw/zinc/67/88/71/337678871.db2.gz XONHDRUAUXNSDT-LBPRGKRZSA-N -1 0 322.364 3.683 20 0 DHADRM Cc1ccccc1-c1nc(=N[C@H](c2cccnc2)C2CC2)s[n-]1 ZINC000527942319 337773536 /nfs/dbraw/zinc/77/35/36/337773536.db2.gz VANFYFIKLCGLPD-INIZCTEOSA-N -1 0 322.437 3.894 20 0 DHADRM CC(C)Cc1nc(=N[C@@H](c2ccccn2)C2CCC2)s[n-]1 ZINC000528141895 337789838 /nfs/dbraw/zinc/78/98/38/337789838.db2.gz UXUDGKXOPZGWOX-OAHLLOKOSA-N -1 0 302.447 3.507 20 0 DHADRM Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC000044749851 337812050 /nfs/dbraw/zinc/81/20/50/337812050.db2.gz SCWJCMHAIZXEAR-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CSc1cccc(C)c1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424384070 337829501 /nfs/dbraw/zinc/82/95/01/337829501.db2.gz DWTZEJKOLJFSCL-GFCCVEGCSA-N -1 0 324.446 3.585 20 0 DHADRM CC(C)C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000424391164 337829999 /nfs/dbraw/zinc/82/99/99/337829999.db2.gz PVNBXGKOKSWAQX-HNNXBMFYSA-N -1 0 320.433 3.574 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533196043 337834770 /nfs/dbraw/zinc/83/47/70/337834770.db2.gz YVZUGAGKJMMDPW-HZPDHXFCSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000060436704 337911988 /nfs/dbraw/zinc/91/19/88/337911988.db2.gz QZFASYFULHQBEP-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000537473076 337938775 /nfs/dbraw/zinc/93/87/75/337938775.db2.gz HKCOJQUXVPCOTP-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CCc1cccc(C)c1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000314944430 337975379 /nfs/dbraw/zinc/97/53/79/337975379.db2.gz RJGGOIRNUNRBOB-UHFFFAOYSA-N -1 0 303.402 3.921 20 0 DHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000314962885 337976417 /nfs/dbraw/zinc/97/64/17/337976417.db2.gz OPLHZHMJMNGKPD-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM CC(C)(C)c1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000515178078 337981643 /nfs/dbraw/zinc/98/16/43/337981643.db2.gz FMZCYUIJAUITIP-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000315377033 337985727 /nfs/dbraw/zinc/98/57/27/337985727.db2.gz DGWAQUPBQSECQN-AWEZNQCLSA-N -1 0 303.402 3.597 20 0 DHADRM O=C([O-])CC1(CC(=O)NCc2ccccc2Cl)CCCCC1 ZINC000315563697 337990039 /nfs/dbraw/zinc/99/00/39/337990039.db2.gz YQSBBQPDHKPYDY-UHFFFAOYSA-N -1 0 323.820 3.772 20 0 DHADRM CCCC[C@@H](Sc1cc(C(F)(F)F)nc(C)n1)C(=O)[O-] ZINC000515869469 338000535 /nfs/dbraw/zinc/00/05/35/338000535.db2.gz DZXZONBTQRMZSD-MRVPVSSYSA-N -1 0 308.325 3.539 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1Cc1nc(C2CCCCC2)cs1 ZINC000516187934 338006169 /nfs/dbraw/zinc/00/61/69/338006169.db2.gz NRJMSNAEVDRCDF-AWEZNQCLSA-N -1 0 308.447 3.630 20 0 DHADRM O=C(NCc1ccc2sccc2c1)c1s[n-]c(=O)c1Cl ZINC000426483476 338033439 /nfs/dbraw/zinc/03/34/39/338033439.db2.gz PAPIHXAORWUMBB-UHFFFAOYSA-N -1 0 324.814 3.647 20 0 DHADRM Cc1nc(CNCc2csc3ccccc23)sc1C(=O)[O-] ZINC000426703342 338038631 /nfs/dbraw/zinc/03/86/31/338038631.db2.gz KOLMDJNWBNSQIT-UHFFFAOYSA-N -1 0 318.423 3.654 20 0 DHADRM CSc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000426731657 338039710 /nfs/dbraw/zinc/03/97/10/338039710.db2.gz QHKOQCRRCPZAME-HNNXBMFYSA-N -1 0 323.364 3.602 20 0 DHADRM C[C@H]1CCc2nc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])sc2C1 ZINC000426747189 338040464 /nfs/dbraw/zinc/04/04/64/338040464.db2.gz NMRGTIXCPOOTQL-AAEUAGOBSA-N -1 0 324.490 3.637 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2coc3ccccc23)C(=O)[O-])c1 ZINC000426758387 338041069 /nfs/dbraw/zinc/04/10/69/338041069.db2.gz SFTUOJBLQMVKCA-GOSISDBHSA-N -1 0 309.365 3.965 20 0 DHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1C ZINC000431150090 338124248 /nfs/dbraw/zinc/12/42/48/338124248.db2.gz FGPBXWWKTJWTBJ-UHFFFAOYSA-N -1 0 323.439 3.677 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000431200349 338125701 /nfs/dbraw/zinc/12/57/01/338125701.db2.gz XXOZMCAXAIJXKU-AATRIKPKSA-N -1 0 315.413 3.727 20 0 DHADRM CCC[C@](C)(NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431457801 338131103 /nfs/dbraw/zinc/13/11/03/338131103.db2.gz MVUVOIJJUGWXKN-IBGZPJMESA-N -1 0 324.380 3.694 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000431502107 338132611 /nfs/dbraw/zinc/13/26/11/338132611.db2.gz KQCQFEXLHKBLBQ-UHFFFAOYSA-N -1 0 311.381 3.800 20 0 DHADRM Cn1ncc(Cl)c1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431543294 338133471 /nfs/dbraw/zinc/13/34/71/338133471.db2.gz GVYLPSCLPPPSDJ-PLNGDYQASA-N -1 0 319.773 3.552 20 0 DHADRM O=S(=O)(NCc1ccc(C2CCCCC2)cc1)c1ccco1 ZINC000431564073 338133829 /nfs/dbraw/zinc/13/38/29/338133829.db2.gz KHYVGVSMAMSRNN-UHFFFAOYSA-N -1 0 319.426 3.806 20 0 DHADRM CC[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000431792455 338138981 /nfs/dbraw/zinc/13/89/81/338138981.db2.gz CPTGWGAJMAFNAC-MRXNPFEDSA-N -1 0 315.344 3.585 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431864734 338140554 /nfs/dbraw/zinc/14/05/54/338140554.db2.gz KUKFJNLFUAALAT-UGSOOPFHSA-N -1 0 313.397 3.908 20 0 DHADRM CCc1ccc([C@H](C)C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431872265 338140683 /nfs/dbraw/zinc/14/06/83/338140683.db2.gz OOOMCNSRWOZHTC-AWEZNQCLSA-N -1 0 317.429 3.504 20 0 DHADRM O=C([O-])C1(NC(=O)C/C=C/c2ccc(F)cc2)CCCCCC1 ZINC000431974625 338142970 /nfs/dbraw/zinc/14/29/70/338142970.db2.gz UGUKMEGTYCSHAF-AATRIKPKSA-N -1 0 319.376 3.523 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2ccccc2n1 ZINC000431994034 338143330 /nfs/dbraw/zinc/14/33/30/338143330.db2.gz SXCWKAUADNWYSY-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000431998982 338143352 /nfs/dbraw/zinc/14/33/52/338143352.db2.gz PGVHBWACAPYQCN-KGLIPLIRSA-N -1 0 305.418 3.961 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C[C@H](C)C(C)(C)C)cc1)C(=O)[O-] ZINC000432002844 338143379 /nfs/dbraw/zinc/14/33/79/338143379.db2.gz XQZLALBPIDUAPZ-STQMWFEESA-N -1 0 305.418 3.961 20 0 DHADRM CCC(C)(C)[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000432094624 338145402 /nfs/dbraw/zinc/14/54/02/338145402.db2.gz GXPBSEASEAEMII-MRXNPFEDSA-N -1 0 317.429 3.745 20 0 DHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000432094623 338145498 /nfs/dbraw/zinc/14/54/98/338145498.db2.gz GXPBSEASEAEMII-INIZCTEOSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000432113783 338145981 /nfs/dbraw/zinc/14/59/81/338145981.db2.gz RIBAYLDSYWSLFX-XWIAVFTESA-N -1 0 323.392 3.594 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432121989 338146169 /nfs/dbraw/zinc/14/61/69/338146169.db2.gz IVRJIAJKEHFBJW-MAUKXSAKSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)c1noc(=NCC[C@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC000432136588 338146771 /nfs/dbraw/zinc/14/67/71/338146771.db2.gz BFAULNIIOFTHFQ-GFCCVEGCSA-N -1 0 313.323 3.763 20 0 DHADRM COc1cc([N-]S(=O)(=O)c2sccc2C)ccc1Cl ZINC000432646476 338161577 /nfs/dbraw/zinc/16/15/77/338161577.db2.gz RVHJJLPHDBKEAI-UHFFFAOYSA-N -1 0 317.819 3.519 20 0 DHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000433507927 338196050 /nfs/dbraw/zinc/19/60/50/338196050.db2.gz TYNAKFWCHWSFFD-UHFFFAOYSA-N -1 0 323.389 3.588 20 0 DHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000434626754 338221697 /nfs/dbraw/zinc/22/16/97/338221697.db2.gz JTJLTCAXMVQKTL-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM Cc1c(C)c(C)c(CNC(=O)CC(C)(C)CC(=O)[O-])c(C)c1C ZINC000434933728 338228041 /nfs/dbraw/zinc/22/80/41/338228041.db2.gz MTXWCLPYXCJQNU-UHFFFAOYSA-N -1 0 319.445 3.736 20 0 DHADRM CCc1cccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000435187916 338234217 /nfs/dbraw/zinc/23/42/17/338234217.db2.gz LFQYAIHBNXGWTA-UHFFFAOYSA-N -1 0 324.452 3.721 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccs1 ZINC000435716060 338246069 /nfs/dbraw/zinc/24/60/69/338246069.db2.gz ZAGTVYYYPHUALL-MGPQQGTHSA-N -1 0 323.458 3.843 20 0 DHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2F)cc1C ZINC000435731273 338246676 /nfs/dbraw/zinc/24/66/76/338246676.db2.gz IZEQCHHPPVOIMP-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000436486601 338273812 /nfs/dbraw/zinc/27/38/12/338273812.db2.gz RINJLQTZARGTKM-GFCCVEGCSA-N -1 0 319.763 3.814 20 0 DHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000436507586 338274454 /nfs/dbraw/zinc/27/44/54/338274454.db2.gz AHHPZGCIJVBIPB-SFHVURJKSA-N -1 0 317.335 3.551 20 0 DHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c([O-])cccc2F)C1 ZINC000436510776 338274595 /nfs/dbraw/zinc/27/45/95/338274595.db2.gz GYLNDHADUOWMSS-NHYWBVRUSA-N -1 0 317.335 3.894 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000436523798 338275219 /nfs/dbraw/zinc/27/52/19/338275219.db2.gz WKICUFBQCPVFJG-UHFFFAOYSA-N -1 0 311.372 3.959 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000436534099 338275716 /nfs/dbraw/zinc/27/57/16/338275716.db2.gz JORACVCPESIDIV-HNNXBMFYSA-N -1 0 321.298 3.787 20 0 DHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1[O-])CCC2 ZINC000436551810 338276644 /nfs/dbraw/zinc/27/66/44/338276644.db2.gz SKBCULZBCLXVRG-UHFFFAOYSA-N -1 0 301.773 3.947 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCC=C3)c1 ZINC000436579159 338278122 /nfs/dbraw/zinc/27/81/22/338278122.db2.gz CBRPUGWRJNQKCF-UHFFFAOYSA-N -1 0 307.349 3.807 20 0 DHADRM Cc1ccc2c(c1)CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C2 ZINC000436604080 338279508 /nfs/dbraw/zinc/27/95/08/338279508.db2.gz IRCGNLCCJMXSBT-UHFFFAOYSA-N -1 0 319.763 3.692 20 0 DHADRM O=C(NC[C@@H]1CCC(F)(F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000436995561 338297174 /nfs/dbraw/zinc/29/71/74/338297174.db2.gz BDMSBNIPFQDXBH-SSDOTTSWSA-N -1 0 324.154 3.864 20 0 DHADRM CCCCCn1nc(C)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436613674 338279964 /nfs/dbraw/zinc/27/99/64/338279964.db2.gz RPMZIVDEYZGTHI-UHFFFAOYSA-N -1 0 321.808 3.993 20 0 DHADRM O=C(NCCC1=CCCC1)c1c([O-])cc(Cl)cc1Cl ZINC000436625279 338280489 /nfs/dbraw/zinc/28/04/89/338280489.db2.gz DBODUGNSLFXKQN-UHFFFAOYSA-N -1 0 300.185 3.929 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(O)cc1O)c1ccc(F)cc1F ZINC000436628995 338280694 /nfs/dbraw/zinc/28/06/94/338280694.db2.gz HYBVZNBJAYGZPX-INIZCTEOSA-N -1 0 321.323 3.503 20 0 DHADRM Cc1ccc([C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C2CC2)cc1 ZINC000436633880 338280787 /nfs/dbraw/zinc/28/07/87/338280787.db2.gz JEDPDUPWVHZWLQ-MRXNPFEDSA-N -1 0 317.335 3.860 20 0 DHADRM O=C(Nc1ccc2ncccc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000436634319 338280799 /nfs/dbraw/zinc/28/07/99/338280799.db2.gz GXLCCPPCRXAXOU-UHFFFAOYSA-N -1 0 316.719 3.985 20 0 DHADRM O=C(Nc1cccc2[nH]ccc21)c1cc(F)cc(Cl)c1[O-] ZINC000436636816 338280996 /nfs/dbraw/zinc/28/09/96/338280996.db2.gz TYMFLICOBIPRGJ-UHFFFAOYSA-N -1 0 304.708 3.918 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000436644661 338281208 /nfs/dbraw/zinc/28/12/08/338281208.db2.gz BDECLEBEORLIRB-LLVKDONJSA-N -1 0 315.344 3.866 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc3ncccc32)c1 ZINC000436648273 338281224 /nfs/dbraw/zinc/28/12/24/338281224.db2.gz SRBZSEOKGUWOFD-UHFFFAOYSA-N -1 0 320.348 3.785 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc(C(C)C)n2)c1 ZINC000436648358 338281369 /nfs/dbraw/zinc/28/13/69/338281369.db2.gz TXHBYBINQBFXCR-UHFFFAOYSA-N -1 0 318.398 3.817 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000436646929 338281392 /nfs/dbraw/zinc/28/13/92/338281392.db2.gz HPOQWOJKPGBONN-UHFFFAOYSA-N -1 0 308.337 3.719 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCc2ccccc2)c1 ZINC000436650768 338281450 /nfs/dbraw/zinc/28/14/50/338281450.db2.gz BWLDOXXDWVHHBV-UHFFFAOYSA-N -1 0 311.381 3.946 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000436653403 338281615 /nfs/dbraw/zinc/28/16/15/338281615.db2.gz UZIGJFACSYLISY-UHFFFAOYSA-N -1 0 315.344 3.993 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C(C)C)n2)c1 ZINC000436659159 338281985 /nfs/dbraw/zinc/28/19/85/338281985.db2.gz QGRCNWLCTASXED-UHFFFAOYSA-N -1 0 312.369 3.756 20 0 DHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1c([O-])cccc1F ZINC000436673197 338282293 /nfs/dbraw/zinc/28/22/93/338282293.db2.gz DJWFWVQXFFJGHU-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM Cc1cc2n[nH]cc2cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436676248 338282478 /nfs/dbraw/zinc/28/24/78/338282478.db2.gz YPFXGDRJSUBMOS-UHFFFAOYSA-N -1 0 319.723 3.622 20 0 DHADRM [O-]c1c(-c2nc(-c3ncc[nH]3)no2)cc(Cl)c2ccccc12 ZINC000436679828 338282491 /nfs/dbraw/zinc/28/24/91/338282491.db2.gz HRSNASXJADHPQR-UHFFFAOYSA-N -1 0 312.716 3.639 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2c(C)cc(C)cc2C)c1 ZINC000436679834 338282555 /nfs/dbraw/zinc/28/25/55/338282555.db2.gz MFLINLMSDHJPOV-UHFFFAOYSA-N -1 0 311.381 3.701 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000436681139 338282586 /nfs/dbraw/zinc/28/25/86/338282586.db2.gz PWRYXSIAXBUFPK-UHFFFAOYSA-N -1 0 323.392 3.946 20 0 DHADRM CCSc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436707043 338283474 /nfs/dbraw/zinc/28/34/74/338283474.db2.gz SYKIOZVHUYHAAL-UHFFFAOYSA-N -1 0 323.364 3.712 20 0 DHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436705528 338283509 /nfs/dbraw/zinc/28/35/09/338283509.db2.gz PAKAEFNULGLCJK-UHFFFAOYSA-N -1 0 319.792 3.689 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC[C@@H](CC2CC2)C1 ZINC000436721380 338284207 /nfs/dbraw/zinc/28/42/07/338284207.db2.gz JZKLTFMZLOULAA-JTQLQIEISA-N -1 0 314.212 3.961 20 0 DHADRM C[C@@H](C1CCC1)N(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436724883 338284334 /nfs/dbraw/zinc/28/43/34/338284334.db2.gz SLHKGFMKAGCERR-QMMMGPOBSA-N -1 0 302.201 3.960 20 0 DHADRM CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1O ZINC000436728147 338284510 /nfs/dbraw/zinc/28/45/10/338284510.db2.gz IIRCWLLMGQSJMI-SNVBAGLBSA-N -1 0 301.839 3.649 20 0 DHADRM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(O)cc1F ZINC000436732371 338284610 /nfs/dbraw/zinc/28/46/10/338284610.db2.gz CWKAHEAMCLJUME-GJZGRUSLSA-N -1 0 313.372 3.988 20 0 DHADRM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436743391 338284934 /nfs/dbraw/zinc/28/49/34/338284934.db2.gz ZVNBZLTZSPKUGM-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM O=C(NC[C@@H]1CCCSC1)c1c([O-])cc(Cl)cc1Cl ZINC000436740513 338284963 /nfs/dbraw/zinc/28/49/63/338284963.db2.gz RCWQGVBWJWNWEG-QMMMGPOBSA-N -1 0 320.241 3.572 20 0 DHADRM CSc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000436740315 338285056 /nfs/dbraw/zinc/28/50/56/338285056.db2.gz YMMHCFKMZGAGJN-UHFFFAOYSA-N -1 0 312.753 3.554 20 0 DHADRM O=C(NCc1cccnc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436755288 338285644 /nfs/dbraw/zinc/28/56/44/338285644.db2.gz KJZQCIRFSSTDDP-UHFFFAOYSA-N -1 0 312.756 3.524 20 0 DHADRM O=C(NCc1cccc(F)c1)c1c([O-])cc(Cl)cc1Cl ZINC000436759266 338285975 /nfs/dbraw/zinc/28/59/75/338285975.db2.gz VTGVEJHFJGYJRR-UHFFFAOYSA-N -1 0 314.143 3.768 20 0 DHADRM Cc1nsc(C)c1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000436783465 338287065 /nfs/dbraw/zinc/28/70/65/338287065.db2.gz GVYUCBLPONTLFH-UHFFFAOYSA-N -1 0 307.762 3.836 20 0 DHADRM O=C(NC[C@H]1CCSC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811836 338288288 /nfs/dbraw/zinc/28/82/88/338288288.db2.gz KTDACBDWRDLPTH-SNVBAGLBSA-N -1 0 321.829 3.682 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000436819294 338288525 /nfs/dbraw/zinc/28/85/25/338288525.db2.gz XWFOSJLBLNGCOT-UHFFFAOYSA-N -1 0 303.745 3.809 20 0 DHADRM COc1c(F)cc(NC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000436823400 338288641 /nfs/dbraw/zinc/28/86/41/338288641.db2.gz AQIMSQURCPFXAZ-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM CC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1F ZINC000436857431 338290138 /nfs/dbraw/zinc/29/01/38/338290138.db2.gz PTUKEGINTYBVPU-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM O=C(Nc1nc2ccsc2s1)c1ccc([O-])c(Cl)c1 ZINC000436857227 338290195 /nfs/dbraw/zinc/29/01/95/338290195.db2.gz PBXRFCICLYRTEA-UHFFFAOYSA-N -1 0 310.787 3.969 20 0 DHADRM Cc1cccc2c(Cc3nc(-c4ccc(O)cc4)no3)c[nH]c21 ZINC000436898818 338292445 /nfs/dbraw/zinc/29/24/45/338292445.db2.gz ABTAVTYVYPYYNX-UHFFFAOYSA-N -1 0 305.337 3.823 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(C2CCCC2)C1 ZINC000436904566 338292942 /nfs/dbraw/zinc/29/29/42/338292942.db2.gz LVONWWDFOXMNIX-UHFFFAOYSA-N -1 0 314.212 3.961 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)nc1 ZINC000436925060 338293631 /nfs/dbraw/zinc/29/36/31/338293631.db2.gz ZCGSVNMDYJNCHG-UHFFFAOYSA-N -1 0 308.740 3.955 20 0 DHADRM CCCc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccn1 ZINC000436922554 338293648 /nfs/dbraw/zinc/29/36/48/338293648.db2.gz OKXFOPCZSLTFDF-UHFFFAOYSA-N -1 0 308.740 3.785 20 0 DHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1c([O-])cccc1F ZINC000436942541 338294933 /nfs/dbraw/zinc/29/49/33/338294933.db2.gz BUHMDAAJHALFDZ-SECBINFHSA-N -1 0 309.287 3.643 20 0 DHADRM CC(C)N(Cc1ccccc1F)C(=O)c1c([O-])cccc1F ZINC000436943393 338295014 /nfs/dbraw/zinc/29/50/14/338295014.db2.gz FPUMJFCTHHXGNB-UHFFFAOYSA-N -1 0 305.324 3.721 20 0 DHADRM O=C(Nc1ccc(-c2ccccc2)cn1)c1c([O-])cccc1F ZINC000436950363 338295268 /nfs/dbraw/zinc/29/52/68/338295268.db2.gz UXWDGWDZEHDCFV-UHFFFAOYSA-N -1 0 308.312 3.846 20 0 DHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1c([O-])cccc1F ZINC000436964126 338296012 /nfs/dbraw/zinc/29/60/12/338296012.db2.gz RDRFMYMZVKQVAE-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM CSCc1cccnc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000436964675 338296167 /nfs/dbraw/zinc/29/61/67/338296167.db2.gz MVYXEPMCJIDVAR-UHFFFAOYSA-N -1 0 308.790 3.556 20 0 DHADRM COC[C@@H](C)n1c2ccccc2nc1-c1cc(F)c([O-])c(F)c1 ZINC000436976730 338296394 /nfs/dbraw/zinc/29/63/94/338296394.db2.gz AOJQWQZOYSARJT-SNVBAGLBSA-N -1 0 318.323 3.895 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2coc3cc(F)ccc32)c1 ZINC000436984027 338296744 /nfs/dbraw/zinc/29/67/44/338296744.db2.gz LLUXOUHVJVWTFV-UHFFFAOYSA-N -1 0 313.284 3.732 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC2(CCCC2)C1 ZINC000438684633 338350852 /nfs/dbraw/zinc/35/08/52/338350852.db2.gz WNBNWNRKLFXCSU-UHFFFAOYSA-N -1 0 313.319 3.606 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000439535478 338372604 /nfs/dbraw/zinc/37/26/04/338372604.db2.gz ZSSSVKYWACAQDM-CYBMUJFWSA-N -1 0 315.417 3.523 20 0 DHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC000439697929 338376085 /nfs/dbraw/zinc/37/60/85/338376085.db2.gz LKFDVQDEBZGHTE-XJKSGUPXSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])s1 ZINC000439921559 338380888 /nfs/dbraw/zinc/38/08/88/338380888.db2.gz JEAVNXNRCSXCCH-MEDUHNTESA-N -1 0 309.431 3.635 20 0 DHADRM CCSc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000439923398 338380918 /nfs/dbraw/zinc/38/09/18/338380918.db2.gz RNDSJOCGWFWZCP-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CCSc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000439927647 338381027 /nfs/dbraw/zinc/38/10/27/338381027.db2.gz DYEAFZNQGKKQFP-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)o1 ZINC000440270902 338384926 /nfs/dbraw/zinc/38/49/26/338384926.db2.gz KQPBIKIPILXHNT-SNVBAGLBSA-N -1 0 307.777 3.698 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000450513009 338688823 /nfs/dbraw/zinc/68/88/23/338688823.db2.gz UEKNNYNIDIYDLX-HNNXBMFYSA-N -1 0 321.417 3.865 20 0 DHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000450968201 338714892 /nfs/dbraw/zinc/71/48/92/338714892.db2.gz JHSGKUHNISVIEI-UHFFFAOYSA-N -1 0 324.471 3.825 20 0 DHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1sccc1Cl ZINC000450985710 338715656 /nfs/dbraw/zinc/71/56/56/338715656.db2.gz DYWQTTIEDABZIS-UHFFFAOYSA-N -1 0 316.835 3.721 20 0 DHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000451104695 338721157 /nfs/dbraw/zinc/72/11/57/338721157.db2.gz GMYVVTIFZBDCDA-UHFFFAOYSA-N -1 0 316.835 3.721 20 0 DHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451105860 338721200 /nfs/dbraw/zinc/72/12/00/338721200.db2.gz WGKFBUXAVRLAHT-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194757403 338744435 /nfs/dbraw/zinc/74/44/35/338744435.db2.gz IACVIGJJHAHSAN-SNVBAGLBSA-N -1 0 319.763 3.772 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]1C(C)C ZINC000456327658 338926358 /nfs/dbraw/zinc/92/63/58/338926358.db2.gz JHARNITVVANQCC-SMDDNHRTSA-N -1 0 313.800 3.937 20 0 DHADRM Cc1cnc(C(=O)Nc2ccccc2CCC(F)(F)F)c([O-])c1 ZINC000460126654 338934420 /nfs/dbraw/zinc/93/44/20/338934420.db2.gz 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ZINC000471997454 339358908 /nfs/dbraw/zinc/35/89/08/339358908.db2.gz IKOSCSXNWQFOHU-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)C[C@H](C)C(C)C)s[n-]1 ZINC000472283382 339368768 /nfs/dbraw/zinc/36/87/68/339368768.db2.gz XOTLHRSBNSHGDN-JTQLQIEISA-N -1 0 309.460 3.618 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)[C@H]2CCC[C@@H](C)C2)s[n-]1 ZINC000472287861 339368986 /nfs/dbraw/zinc/36/89/86/339368986.db2.gz PHYCTIURMGVVPK-KOLCDFICSA-N -1 0 321.471 3.762 20 0 DHADRM CCC(CC)CC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472287828 339369029 /nfs/dbraw/zinc/36/90/29/339369029.db2.gz OYXCBBVYXUOJTG-UHFFFAOYSA-N -1 0 309.460 3.762 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H](C)C(C)C)s[n-]1 ZINC000473822038 339392778 /nfs/dbraw/zinc/39/27/78/339392778.db2.gz ZXIMFIPXFUFCQF-SNVBAGLBSA-N -1 0 324.475 3.505 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H](C)C(C)C)s[n-]1 ZINC000473822037 339392829 /nfs/dbraw/zinc/39/28/29/339392829.db2.gz ZXIMFIPXFUFCQF-JTQLQIEISA-N -1 0 324.475 3.505 20 0 DHADRM Cc1cc(CN=c2nc(-c3ccccc3)[n-]s2)cc(C)c1O ZINC000475359979 339449062 /nfs/dbraw/zinc/44/90/62/339449062.db2.gz GBOOOULMIKBSAG-UHFFFAOYSA-N -1 0 311.410 3.562 20 0 DHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000476514395 339477869 /nfs/dbraw/zinc/47/78/69/339477869.db2.gz SCFAKIZLKBGGFV-JVXZTZIISA-N -1 0 306.189 3.699 20 0 DHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2F)c(C)cc1C ZINC000478700126 339520800 /nfs/dbraw/zinc/52/08/00/339520800.db2.gz FQBHQLXKHIEYPW-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC000479488563 339537739 /nfs/dbraw/zinc/53/77/39/339537739.db2.gz QSJDCVQBAVNBGE-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000479492079 339537845 /nfs/dbraw/zinc/53/78/45/339537845.db2.gz VFLSBBLRZYYJNG-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000479530060 339539603 /nfs/dbraw/zinc/53/96/03/339539603.db2.gz TYGWTCJVSHPFOK-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccccc1F ZINC000484251344 339683264 /nfs/dbraw/zinc/68/32/64/339683264.db2.gz FMQYHBRKCIJSFT-UHFFFAOYSA-N -1 0 307.371 3.841 20 0 DHADRM COc1c(C)cc(CNc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000485377992 339702249 /nfs/dbraw/zinc/70/22/49/339702249.db2.gz COYHBGFMGQENTF-UHFFFAOYSA-N -1 0 303.333 3.761 20 0 DHADRM CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000485428428 339703150 /nfs/dbraw/zinc/70/31/50/339703150.db2.gz NNZGQMLCELNYBO-UHFFFAOYSA-N -1 0 313.781 3.842 20 0 DHADRM COc1ccc2nc(/C=C/c3cncs3)cc(C(=O)[O-])c2c1 ZINC000486539013 339728991 /nfs/dbraw/zinc/72/89/91/339728991.db2.gz WGNJQNBWHQETFG-DUXPYHPUSA-N -1 0 312.350 3.569 20 0 DHADRM CC(C)(C)C[C@@H](O)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000486891665 339736544 /nfs/dbraw/zinc/73/65/44/339736544.db2.gz DGJVBXYMZATJAJ-VIFPVBQESA-N -1 0 320.216 3.825 20 0 DHADRM CO[C@H](c1ccc(F)cc1)[C@@H](C)N=c1nc(C(C)(C)C)[n-]s1 ZINC000489885388 339820445 /nfs/dbraw/zinc/82/04/45/339820445.db2.gz 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ZINC000509075637 340260499 /nfs/dbraw/zinc/26/04/99/340260499.db2.gz UZERMUREGAXVAP-QGZVFWFLSA-N -1 0 305.418 3.662 20 0 DHADRM CCc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509102758 340261465 /nfs/dbraw/zinc/26/14/65/340261465.db2.gz JXNGDAHODUERJO-UHFFFAOYSA-N -1 0 319.426 3.675 20 0 DHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509387068 340267926 /nfs/dbraw/zinc/26/79/26/340267926.db2.gz MNORKWIRFRTTRS-UHFFFAOYSA-N -1 0 323.439 3.526 20 0 DHADRM CO[C@@H](C)c1nc(=Nc2ccc(OC(C)(C)C)cc2)s[n-]1 ZINC000509548680 340273176 /nfs/dbraw/zinc/27/31/76/340273176.db2.gz JTPYCILJYNYMRR-JTQLQIEISA-N -1 0 307.419 3.588 20 0 DHADRM CO[C@H](C)c1nsc(=NCCCCCc2ccc(F)cc2)[n-]1 ZINC000509615238 340274811 /nfs/dbraw/zinc/27/48/11/340274811.db2.gz DQTXBUIRXWNHND-GFCCVEGCSA-N -1 0 323.437 3.631 20 0 DHADRM O=S(=O)(Nc1ccc(F)cc1Cl)c1cccc(F)c1F ZINC000509624765 340274825 /nfs/dbraw/zinc/27/48/25/340274825.db2.gz YDYOOOVSZLVXIW-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(Cl)cc1 ZINC000509649690 340275622 /nfs/dbraw/zinc/27/56/22/340275622.db2.gz GFKGAQBXDAKSCR-SKDRFNHKSA-N -1 0 311.838 3.884 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H]2CCCC[C@H]2c2ccccc2)s[n-]1 ZINC000509676484 340276564 /nfs/dbraw/zinc/27/65/64/340276564.db2.gz AMTOZVUVVQVCMZ-VHDGCEQUSA-N -1 0 317.458 3.806 20 0 DHADRM CO[C@@H](C)c1nc(=NC[C@@H](Cc2ccccc2)C(C)C)s[n-]1 ZINC000509830847 340280841 /nfs/dbraw/zinc/28/08/41/340280841.db2.gz QYFIFHRRZQMOSF-DZGCQCFKSA-N -1 0 319.474 3.594 20 0 DHADRM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512020832 340345444 /nfs/dbraw/zinc/34/54/44/340345444.db2.gz ABBVTOOQFUROSG-RKDXNWHRSA-N -1 0 310.246 3.706 20 0 DHADRM Cc1cccc([C@H]([N-]S(=O)(=O)CCC(C)C)C(F)(F)F)c1 ZINC000512453408 340362453 /nfs/dbraw/zinc/36/24/53/340362453.db2.gz HBEKWJCVXHGMSS-ZDUSSCGKSA-N -1 0 323.380 3.564 20 0 DHADRM O=C(CCc1ccncc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220323101 340516042 /nfs/dbraw/zinc/51/60/42/340516042.db2.gz 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O=C(Nc1cccc(Oc2ccccn2)c1)c1c([O-])cccc1F ZINC000127311466 340849076 /nfs/dbraw/zinc/84/90/76/340849076.db2.gz ANLHXENYXPHIQD-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCCc2ccccc21 ZINC000539570735 340891048 /nfs/dbraw/zinc/89/10/48/340891048.db2.gz RPBRALASQUXURX-CYBMUJFWSA-N -1 0 315.394 3.596 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000542517864 341011569 /nfs/dbraw/zinc/01/15/69/341011569.db2.gz CGQFWSUFBHSUHF-NEPJUHHUSA-N -1 0 315.394 3.805 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C)Cc2ccccc2F)c(C(=O)[O-])c1 ZINC000542518166 341011760 /nfs/dbraw/zinc/01/17/60/341011760.db2.gz TXVUCSXTGYNHHK-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)s1 ZINC000130451781 341022174 /nfs/dbraw/zinc/02/21/74/341022174.db2.gz XSIBJRJRCNFMET-UHFFFAOYSA-N -1 0 321.345 3.529 20 0 DHADRM CC(C)Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000564277342 341077888 /nfs/dbraw/zinc/07/78/88/341077888.db2.gz 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COCc1cc(-c2ccc([C@@H](C)C(=O)[O-])s2)ccc1OC ZINC000567250163 341591154 /nfs/dbraw/zinc/59/11/54/341591154.db2.gz CHURYFQSRZZJKJ-SNVBAGLBSA-N -1 0 306.383 3.758 20 0 DHADRM CC[C@@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000567967161 341643139 /nfs/dbraw/zinc/64/31/39/341643139.db2.gz HTTOQKWLQFAPFW-CKDBGZEDSA-N -1 0 317.429 3.578 20 0 DHADRM Cc1cc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)c(C)s1 ZINC000314832939 341652514 /nfs/dbraw/zinc/65/25/14/341652514.db2.gz TZILWSIVVYNCFI-NSHDSACASA-N -1 0 324.446 3.513 20 0 DHADRM Cc1nc(-c2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)cs1 ZINC000316490486 341669702 /nfs/dbraw/zinc/66/97/02/341669702.db2.gz JVTLAOKIFQBMIB-UHFFFAOYSA-N -1 0 318.398 3.558 20 0 DHADRM COc1cccc(-c2ccccc2O[C@H](C(=O)[O-])C(C)C)c1 ZINC000568664330 341678115 /nfs/dbraw/zinc/67/81/15/341678115.db2.gz MZEAIKJIWHFYBR-KRWDZBQOSA-N -1 0 300.354 3.850 20 0 DHADRM Cc1cc(C(=O)[O-])c(-c2ccc(O[C@H]3CCOC3)c(C)c2)s1 ZINC000569020722 341688533 /nfs/dbraw/zinc/68/85/33/341688533.db2.gz DHEFGRCWMZABFZ-ZDUSSCGKSA-N -1 0 318.394 3.898 20 0 DHADRM CC(C)(CCNC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000336838942 341769514 /nfs/dbraw/zinc/76/95/14/341769514.db2.gz NYNRGALZUSXJRX-UHFFFAOYSA-N -1 0 319.188 3.616 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2ccc3scnc3c2)CCCC1 ZINC000171119169 341771937 /nfs/dbraw/zinc/77/19/37/341771937.db2.gz XXAQKHRDVXHFOR-UHFFFAOYSA-N -1 0 318.398 3.660 20 0 DHADRM CCCC[C@@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000336849328 341807745 /nfs/dbraw/zinc/80/77/45/341807745.db2.gz BINCFNJPSGTEHR-OAHLLOKOSA-N -1 0 323.458 3.545 20 0 DHADRM CCCOCCOc1cccc(-c2ccsc2C(=O)[O-])c1 ZINC000576957639 341872046 /nfs/dbraw/zinc/87/20/46/341872046.db2.gz PVZDKFXMLGKCOQ-UHFFFAOYSA-N -1 0 306.383 3.919 20 0 DHADRM O=C([O-])c1cc(/C=C/c2ccc(F)c(Cl)c2Cl)ncn1 ZINC000577452832 341910442 /nfs/dbraw/zinc/91/04/42/341910442.db2.gz MAYVJOSTJJRHNO-HNQUOIGGSA-N -1 0 313.115 3.791 20 0 DHADRM CCC(CC)(NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC000577691981 341929301 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ZINC000236942953 600402769 /nfs/dbraw/zinc/40/27/69/600402769.db2.gz RLLSXSIKJPCICF-OAHLLOKOSA-N -1 0 303.402 3.608 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)CC1CCCC1 ZINC000737857352 600403030 /nfs/dbraw/zinc/40/30/30/600403030.db2.gz BZTMIOJUMDWXTO-NSHDSACASA-N -1 0 306.358 3.515 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736904020 600403199 /nfs/dbraw/zinc/40/31/99/600403199.db2.gz FVALURRNIPPIII-MRXNPFEDSA-N -1 0 317.429 3.998 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237487162 600403684 /nfs/dbraw/zinc/40/36/84/600403684.db2.gz IFUIPBFHJLFHDK-XJKSGUPXSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000573259213 600409912 /nfs/dbraw/zinc/40/99/12/600409912.db2.gz MUQWSBQVVUXSJY-DZGCQCFKSA-N -1 0 305.761 3.896 20 0 DHADRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000736915977 600410987 /nfs/dbraw/zinc/41/09/87/600410987.db2.gz FNNWIKPIJQZDKZ-LLVKDONJSA-N -1 0 323.801 3.981 20 0 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ZINC000740132961 600525167 /nfs/dbraw/zinc/52/51/67/600525167.db2.gz PLUFMBJQNFRMIK-UHFFFAOYSA-N -1 0 315.300 3.667 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000321798949 600525695 /nfs/dbraw/zinc/52/56/95/600525695.db2.gz SUQUYOPBAJCBTJ-CQSZACIVSA-N -1 0 318.417 3.983 20 0 DHADRM CCCCS[C@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000737000809 600531669 /nfs/dbraw/zinc/53/16/69/600531669.db2.gz BNVBFUZIKARHOL-GFCCVEGCSA-N -1 0 309.431 3.660 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000391263443 600539249 /nfs/dbraw/zinc/53/92/49/600539249.db2.gz ITUXGECXTQWOHS-UHFFFAOYSA-N -1 0 316.357 3.597 20 0 DHADRM Cc1cc(CN(C)Cc2c3ccccc3sc2C(=O)[O-])no1 ZINC000563892652 600563772 /nfs/dbraw/zinc/56/37/72/600563772.db2.gz SQLKEYFBHHTUGA-UHFFFAOYSA-N -1 0 316.382 3.528 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000740047511 600569128 /nfs/dbraw/zinc/56/91/28/600569128.db2.gz USGDXPSLVBIOHW-CQSZACIVSA-N -1 0 324.380 3.626 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)c1ccccc1NC(=O)[O-] ZINC000737104257 600569893 /nfs/dbraw/zinc/56/98/93/600569893.db2.gz ONXZTNSTNQVGBG-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)NCCCC1CCCCC1 ZINC000740048186 600571124 /nfs/dbraw/zinc/57/11/24/600571124.db2.gz ZGSWVNWHFXPQMC-UHFFFAOYSA-N -1 0 304.390 3.867 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)[O-] ZINC000736424287 600573546 /nfs/dbraw/zinc/57/35/46/600573546.db2.gz CYQULACDPNSMNX-LLVKDONJSA-N -1 0 310.346 3.697 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC000736425364 600574741 /nfs/dbraw/zinc/57/47/41/600574741.db2.gz IZJCWFYJOYICKQ-LLVKDONJSA-N -1 0 310.346 3.697 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736394539 600578026 /nfs/dbraw/zinc/57/80/26/600578026.db2.gz IGJSHNVOJNNWLD-QWHCGFSZSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736394530 600578072 /nfs/dbraw/zinc/57/80/72/600578072.db2.gz IGJSHNVOJNNWLD-CHWSQXEVSA-N -1 0 304.390 3.721 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1csc(Cc2ccccc2)n1 ZINC000736557134 600581146 /nfs/dbraw/zinc/58/11/46/600581146.db2.gz QVEOGIAFISMJAY-NSHDSACASA-N -1 0 307.440 3.830 20 0 DHADRM CC[C@H](C)c1ccc(NC(=O)CS[C@@H](C)CC(=O)[O-])cc1 ZINC000736892529 600581842 /nfs/dbraw/zinc/58/18/42/600581842.db2.gz VEFVBLNKWDWWSE-RYUDHWBXSA-N -1 0 309.431 3.735 20 0 DHADRM CCC[C@H](NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-])c1ccccc1 ZINC000736971873 600586340 /nfs/dbraw/zinc/58/63/40/600586340.db2.gz VOIVITANQAQGQW-IPYPFGDCSA-N -1 0 323.458 3.629 20 0 DHADRM COC(=O)C[C@H](C)SCc1c2ccccc2sc1C(=O)[O-] ZINC000737597496 600588008 /nfs/dbraw/zinc/58/80/08/600588008.db2.gz KJEMULMBRRYYKG-VIFPVBQESA-N -1 0 324.423 3.784 20 0 DHADRM Cc1ccc(-c2noc([C@@H](C)S[C@H](C)CC(=O)[O-])n2)cc1F ZINC000738251567 600588963 /nfs/dbraw/zinc/58/89/63/600588963.db2.gz MFKVDMHTORNSBM-NXEZZACHSA-N -1 0 324.377 3.842 20 0 DHADRM CC(C)c1ccc(-c2noc(CS[C@H](C)CC(=O)[O-])n2)cc1 ZINC000736556649 600594853 /nfs/dbraw/zinc/59/48/53/600594853.db2.gz NGWGPKPEQRVWKF-LLVKDONJSA-N -1 0 320.414 3.956 20 0 DHADRM COc1cccc(-c2nc(CSC[C@H](C)C(=O)[O-])cs2)c1 ZINC000738078195 600597137 /nfs/dbraw/zinc/59/71/37/600597137.db2.gz AJFCRXRMQSIKLN-JTQLQIEISA-N -1 0 323.439 3.773 20 0 DHADRM Cc1cccc(-c2nnc([C@H](C)SC[C@@H](C)C(=O)[O-])o2)c1 ZINC000738681365 600597866 /nfs/dbraw/zinc/59/78/66/600597866.db2.gz UWUGRHIIHBRMAH-MNOVXSKESA-N -1 0 306.387 3.560 20 0 DHADRM CCCC[C@H](CC)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736980696 600599222 /nfs/dbraw/zinc/59/92/22/600599222.db2.gz BAWOUKGTIXWTQV-YOEHRIQHSA-N -1 0 305.418 3.877 20 0 DHADRM C[C@H](CSCCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000086108014 600599481 /nfs/dbraw/zinc/59/94/81/600599481.db2.gz OLXUNTKMGBFXSD-MRVPVSSYSA-N -1 0 309.214 3.826 20 0 DHADRM C[C@H](CS[C@@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000736619489 600600055 /nfs/dbraw/zinc/60/00/55/600600055.db2.gz UOYLWFYXOZQVON-NEPJUHHUSA-N -1 0 317.410 3.621 20 0 DHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000736617601 600600086 /nfs/dbraw/zinc/60/00/86/600600086.db2.gz PGWFPZQLNFZMMH-VXGBXAGGSA-N -1 0 317.410 3.621 20 0 DHADRM O=C([O-])CN(C(=O)/C=C/c1ccc(Cl)s1)c1ccccc1 ZINC000037584622 600603658 /nfs/dbraw/zinc/60/36/58/600603658.db2.gz PEKAXDMOTUFGLY-VQHVLOKHSA-N -1 0 321.785 3.533 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337763385 600604620 /nfs/dbraw/zinc/60/46/20/600604620.db2.gz XYNWICOVHDOYLP-OAHLLOKOSA-N -1 0 311.381 3.606 20 0 DHADRM COc1ccccc1-c1nc(CSC[C@@H](C)C(=O)[O-])cs1 ZINC000738114275 600606659 /nfs/dbraw/zinc/60/66/59/600606659.db2.gz VQHXCPZTQRZHKY-SNVBAGLBSA-N -1 0 323.439 3.773 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc32)c(F)c1 ZINC000677848250 600609805 /nfs/dbraw/zinc/60/98/05/600609805.db2.gz VHOYBCLGNZPBGP-GFCCVEGCSA-N -1 0 313.328 3.583 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000262710502 600613151 /nfs/dbraw/zinc/61/31/51/600613151.db2.gz PBLPPCPKGVUEET-INIZCTEOSA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000236876011 600617081 /nfs/dbraw/zinc/61/70/81/600617081.db2.gz WISCJGFRTGMSJJ-LBPRGKRZSA-N -1 0 324.446 3.705 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000237022817 600617180 /nfs/dbraw/zinc/61/71/80/600617180.db2.gz WISCJGFRTGMSJJ-GFCCVEGCSA-N -1 0 324.446 3.705 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000237023932 600617968 /nfs/dbraw/zinc/61/79/68/600617968.db2.gz DBKARAOFNQFFHB-HZPDHXFCSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000147485118 600620346 /nfs/dbraw/zinc/62/03/46/600620346.db2.gz RNTHXNRLMJYZKN-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CCc3ccccc32)c1 ZINC000740074068 600622682 /nfs/dbraw/zinc/62/26/82/600622682.db2.gz GNSMTMPGSYMHCS-HNNXBMFYSA-N -1 0 315.756 3.707 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000737340374 600623892 /nfs/dbraw/zinc/62/38/92/600623892.db2.gz HOHZEBQGNXCXFB-UHFFFAOYSA-N -1 0 324.163 3.968 20 0 DHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000318989711 600625616 /nfs/dbraw/zinc/62/56/16/600625616.db2.gz ARLJSRIVIWUARK-CQSZACIVSA-N -1 0 304.390 3.880 20 0 DHADRM Cc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000237085794 600633314 /nfs/dbraw/zinc/63/33/14/600633314.db2.gz ODAUCUDGCYRQAO-UHFFFAOYSA-N -1 0 309.774 3.685 20 0 DHADRM Cc1[nH]c(C(=O)N(C)c2ccc(C)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000738279693 600633790 /nfs/dbraw/zinc/63/37/90/600633790.db2.gz GPMCVVMBHKRDAC-UHFFFAOYSA-N -1 0 320.776 3.568 20 0 DHADRM CCN(C(=O)c1cccc2cccnc21)c1ccccc1C(=O)[O-] ZINC000737059332 600647084 /nfs/dbraw/zinc/64/70/84/600647084.db2.gz NZPQKPLIPIMCED-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM CCN(C(=O)[C@@H](C)c1ccccc1F)c1ccccc1C(=O)[O-] ZINC000737051896 600647309 /nfs/dbraw/zinc/64/73/09/600647309.db2.gz WHVISWIJBDNBJI-LBPRGKRZSA-N -1 0 315.344 3.681 20 0 DHADRM CCN(C(=O)Cc1ccc(C)c(C)c1)c1ccccc1C(=O)[O-] ZINC000737060565 600647709 /nfs/dbraw/zinc/64/77/09/600647709.db2.gz XRABMPDFICTNIS-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCN(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1C(=O)[O-] ZINC000737058749 600647748 /nfs/dbraw/zinc/64/77/48/600647748.db2.gz SYQJEICKTQSHCV-UHFFFAOYSA-N -1 0 324.336 3.501 20 0 DHADRM CCN(C(=O)c1cccc2ncccc21)c1ccccc1C(=O)[O-] ZINC000737058964 600647799 /nfs/dbraw/zinc/64/77/99/600647799.db2.gz DQMHBFFXWHSGNA-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM Cc1cc(NCc2ccc(OC(F)F)cc2)ccc1C(=O)[O-] ZINC000738462341 600676770 /nfs/dbraw/zinc/67/67/70/600676770.db2.gz LRZZPUVDQMTLIR-UHFFFAOYSA-N -1 0 307.296 3.907 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000325736728 600678690 /nfs/dbraw/zinc/67/86/90/600678690.db2.gz BQSCTRSHAPZFKI-MRXNPFEDSA-N -1 0 317.344 3.816 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3)n2)c1 ZINC000833328039 600693377 /nfs/dbraw/zinc/69/33/77/600693377.db2.gz RVQSCSVQCMEZFV-LSDHHAIUSA-N -1 0 324.311 3.845 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cc4ccsc4[nH]3)n2)c1 ZINC000833325859 600693427 /nfs/dbraw/zinc/69/34/27/600693427.db2.gz AOQNFPOPZCCZGN-UHFFFAOYSA-N -1 0 311.322 3.645 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@@H]3CCCc4ccccc43)n2)c1 ZINC000324750639 600694975 /nfs/dbraw/zinc/69/49/75/600694975.db2.gz SDOOFDLOIGBJEV-MRXNPFEDSA-N -1 0 320.348 3.903 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cc4ccccc4[nH]3)n2)c1 ZINC000833326434 600695688 /nfs/dbraw/zinc/69/56/88/600695688.db2.gz PARSQOJHLHGKLC-UHFFFAOYSA-N -1 0 305.293 3.583 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cc4cc(F)ccc4o3)n2)c1 ZINC000833326627 600695715 /nfs/dbraw/zinc/69/57/15/600695715.db2.gz RPKMUMUBUHPNFK-UHFFFAOYSA-N -1 0 324.267 3.987 20 0 DHADRM C[C@H](OCc1ccccc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000404618717 600696475 /nfs/dbraw/zinc/69/64/75/600696475.db2.gz VLJUKQNTCJPIHG-LBPRGKRZSA-N -1 0 324.336 3.713 20 0 DHADRM CC(C)CNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000736440868 600705623 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Cc1cccc2c(CC(=O)Oc3cc(C(=O)[O-])ccc3C)c[nH]c21 ZINC000738539875 600769088 /nfs/dbraw/zinc/76/90/88/600769088.db2.gz IDKWLMKRGZLYNS-UHFFFAOYSA-N -1 0 323.348 3.631 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c2n1 ZINC000237896585 600771366 /nfs/dbraw/zinc/77/13/66/600771366.db2.gz KRIKESUTMWOWMS-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738694353 600791395 /nfs/dbraw/zinc/79/13/95/600791395.db2.gz YYSCSBXUKNXYAU-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C(C)(C)C ZINC000776675561 600806698 /nfs/dbraw/zinc/80/66/98/600806698.db2.gz SXMQAOVWMJGUQZ-ZHZWZMEUSA-N -1 0 323.820 3.964 20 0 DHADRM Cc1ccccc1-c1noc([C@@H](C)SC[C@H](C)C(=O)[O-])n1 ZINC000832975766 600807285 /nfs/dbraw/zinc/80/72/85/600807285.db2.gz ZQDWOEREUCIJOE-WDEREUQCSA-N -1 0 306.387 3.560 20 0 DHADRM O=C([O-])c1sc(N2CC[C@@H](Cc3ccccc3)C2)nc1Cl ZINC000833345835 600816708 /nfs/dbraw/zinc/81/67/08/600816708.db2.gz 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601037626 /nfs/dbraw/zinc/03/76/26/601037626.db2.gz KVXXHGGNEWKKPW-NXEZZACHSA-N -1 0 311.357 3.862 20 0 DHADRM O=C([O-])c1ccc(CN(Cc2ccccc2)CC(F)F)cc1 ZINC000833315057 601045917 /nfs/dbraw/zinc/04/59/17/601045917.db2.gz ODQABOXRDMNEID-UHFFFAOYSA-N -1 0 305.324 3.652 20 0 DHADRM CS[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000832735664 601067264 /nfs/dbraw/zinc/06/72/64/601067264.db2.gz IUXVFKCEDGJDMI-OAHLLOKOSA-N -1 0 315.394 3.736 20 0 DHADRM CC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828700133 601070663 /nfs/dbraw/zinc/07/06/63/601070663.db2.gz HAYVEIUBJDQGPG-HQJQHLMTSA-N -1 0 305.157 3.708 20 0 DHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CC1 ZINC000827241865 601077288 /nfs/dbraw/zinc/07/72/88/601077288.db2.gz ZEFPDAZAOXSTME-QMMMGPOBSA-N -1 0 310.419 3.514 20 0 DHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CC1 ZINC000827241864 601077371 /nfs/dbraw/zinc/07/73/71/601077371.db2.gz ZEFPDAZAOXSTME-MRVPVSSYSA-N -1 0 310.419 3.514 20 0 DHADRM 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601145000 /nfs/dbraw/zinc/14/50/00/601145000.db2.gz DWRFPOMQNIEXSL-DTWKUNHWSA-N -1 0 316.184 3.823 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cccc(Cl)c2Cl)C1 ZINC000833187369 601145756 /nfs/dbraw/zinc/14/57/56/601145756.db2.gz PLYFHBAIXFFOPV-RKDXNWHRSA-N -1 0 317.168 3.790 20 0 DHADRM Cc1ccc(CCCC(=O)OCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000832929911 601148227 /nfs/dbraw/zinc/14/82/27/601148227.db2.gz GMEDKJHZNLFYEQ-UHFFFAOYSA-N -1 0 322.382 3.722 20 0 DHADRM Cc1c(C(=O)Nc2cccc(F)c2C(=O)[O-])cnc2ccccc12 ZINC000832851049 601151974 /nfs/dbraw/zinc/15/19/74/601151974.db2.gz DCHMFVBORQJDAI-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C=C1CCC(C)CC1)c1ccccc1 ZINC000236658475 601163515 /nfs/dbraw/zinc/16/35/15/601163515.db2.gz XAPGJNSGABAAPA-NOBWMKPMSA-N -1 0 315.413 3.701 20 0 DHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000828517018 601173866 /nfs/dbraw/zinc/17/38/66/601173866.db2.gz XODPOKOZBNVFDW-LLVKDONJSA-N -1 0 313.378 3.526 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000833328367 601174687 /nfs/dbraw/zinc/17/46/87/601174687.db2.gz GTGBXQBYJZPYPA-UHFFFAOYSA-N -1 0 322.320 3.656 20 0 DHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000833172040 601183372 /nfs/dbraw/zinc/18/33/72/601183372.db2.gz QQKYEJUGOCTGMT-CVEARBPZSA-N -1 0 303.308 3.538 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1NC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000827709904 601184719 /nfs/dbraw/zinc/18/47/19/601184719.db2.gz IFODWGPAKHUZTF-CHWSQXEVSA-N -1 0 312.369 3.699 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2csc3ccccc23)C1 ZINC000833189245 601189950 /nfs/dbraw/zinc/18/99/50/601189950.db2.gz QQIOCXAARRVCDM-NEPJUHHUSA-N -1 0 318.394 3.836 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000314389377 601206857 /nfs/dbraw/zinc/20/68/57/601206857.db2.gz AUBSUDMVEQAWTH-WDEREUQCSA-N -1 0 306.749 3.748 20 0 DHADRM CCc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000390382159 601207439 /nfs/dbraw/zinc/20/74/39/601207439.db2.gz VPIKNNJOTKEMRX-KGLIPLIRSA-N -1 0 300.358 3.657 20 0 DHADRM C/C(=C/CSc1nnc(-c2cc3ccccc3o2)o1)C(=O)[O-] ZINC000825792890 601208648 /nfs/dbraw/zinc/20/86/48/601208648.db2.gz KZHHQVYGKWYBEA-TWGQIWQCSA-N -1 0 316.338 3.606 20 0 DHADRM CCO[C@@H](C)c1nc(COc2ccccc2NC(=O)[O-])cs1 ZINC000829901650 601229025 /nfs/dbraw/zinc/22/90/25/601229025.db2.gz QDQDSADTNHTDQF-JTQLQIEISA-N -1 0 322.386 3.910 20 0 DHADRM CC[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829004438 601239161 /nfs/dbraw/zinc/23/91/61/601239161.db2.gz IQTOABPXBSGINP-FMKPAKJESA-N -1 0 320.385 3.581 20 0 DHADRM Cc1nc2ccccc2nc1CNc1cccc(C(=O)[O-])c1C ZINC000833006672 601247894 /nfs/dbraw/zinc/24/78/94/601247894.db2.gz RNTCNNKBOHARSH-UHFFFAOYSA-N -1 0 307.353 3.557 20 0 DHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828148550 601266946 /nfs/dbraw/zinc/26/69/46/601266946.db2.gz AEGVDGVFXYCMKK-HIFRSBDPSA-N -1 0 324.380 3.795 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc2ccccc21 ZINC000828784578 601270929 /nfs/dbraw/zinc/27/09/29/601270929.db2.gz CDSUTGNCESLNHJ-UHFFFAOYSA-N -1 0 314.385 3.995 20 0 DHADRM Cc1c(NC(=O)C/C=C\c2cccc(F)c2)cccc1C(=O)[O-] ZINC000675966903 601279077 /nfs/dbraw/zinc/27/90/77/601279077.db2.gz VZMQAXNNPRHXRM-UTCJRWHESA-N -1 0 313.328 3.874 20 0 DHADRM CC(C)=C(C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000826641836 601283822 /nfs/dbraw/zinc/28/38/22/601283822.db2.gz IIOQCCHXNUPYKT-UHFFFAOYSA-N -1 0 303.383 3.572 20 0 DHADRM CCN(C(=O)c1cccc2[nH]ccc21)c1ccccc1C(=O)[O-] ZINC000829602233 601286540 /nfs/dbraw/zinc/28/65/40/601286540.db2.gz IOTPZCFAVHQRGZ-UHFFFAOYSA-N -1 0 308.337 3.533 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000237629108 601295277 /nfs/dbraw/zinc/29/52/77/601295277.db2.gz NWNPCDMTFKMEPB-SJCJKPOMSA-N -1 0 323.348 3.625 20 0 DHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CC12CCCC2)c1cccc(Cl)c1 ZINC000833169317 601303011 /nfs/dbraw/zinc/30/30/11/601303011.db2.gz JUVUZDDSJHHDON-QWHCGFSZSA-N -1 0 308.761 3.589 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000833286898 601333260 /nfs/dbraw/zinc/33/32/60/601333260.db2.gz YUVAMBRSLCCKIX-FZMZJTMJSA-N -1 0 303.362 3.573 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1ncc(C(C)(C)C)o1 ZINC000827852925 601339392 /nfs/dbraw/zinc/33/93/92/601339392.db2.gz JKAQFOOHGUKLDI-QMMMGPOBSA-N -1 0 323.370 3.650 20 0 DHADRM C[C@@H](SCc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000221491576 601344257 /nfs/dbraw/zinc/34/42/57/601344257.db2.gz VHIXWVDTSMVVHC-CYBMUJFWSA-N -1 0 302.395 3.972 20 0 DHADRM Cc1oc(COC(=O)C/C=C\c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027496 601350446 /nfs/dbraw/zinc/35/04/46/601350446.db2.gz ULBAVBILZRWEPJ-IHWYPQMZSA-N -1 0 318.300 3.572 20 0 DHADRM C[C@H]1CCC[C@@H](c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC000828246984 601364148 /nfs/dbraw/zinc/36/41/48/601364148.db2.gz YZGUZYXDJBBAEL-NWDGAFQWSA-N -1 0 316.357 3.641 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000833282482 601371875 /nfs/dbraw/zinc/37/18/75/601371875.db2.gz CELHGXQBLCJPRH-OAHLLOKOSA-N -1 0 315.300 3.760 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(OCC(C)C)c1 ZINC000833026082 601390747 /nfs/dbraw/zinc/39/07/47/601390747.db2.gz UYJMJROQNJYIKP-UHFFFAOYSA-N -1 0 303.358 3.933 20 0 DHADRM C[C@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000826064313 601404263 /nfs/dbraw/zinc/40/42/63/601404263.db2.gz IDFSKPLKWGXELW-VIFPVBQESA-N -1 0 304.367 3.689 20 0 DHADRM O=C([O-])NCc1ccc(NC(=O)CC2CCCCCC2)cc1 ZINC000833281987 601407302 /nfs/dbraw/zinc/40/73/02/601407302.db2.gz QDIDFCYKWSAQQJ-UHFFFAOYSA-N -1 0 304.390 3.753 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccccc1F ZINC000830355797 601413481 /nfs/dbraw/zinc/41/34/81/601413481.db2.gz XSVKMNWVONXYKL-NSHDSACASA-N -1 0 305.349 3.872 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000830369123 601424164 /nfs/dbraw/zinc/42/41/64/601424164.db2.gz JIAAKYYANZEFBO-AWEZNQCLSA-N -1 0 303.333 3.626 20 0 DHADRM C/C(=C/COC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000825751635 601426950 /nfs/dbraw/zinc/42/69/50/601426950.db2.gz AVAUSUNXGDDRKY-GHXNOFRVSA-N -1 0 308.399 3.524 20 0 DHADRM O=C([O-])c1cccc(OC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000833096362 601440756 /nfs/dbraw/zinc/44/07/56/601440756.db2.gz MUAMXMTWHYXYIU-GORDUTHDSA-N -1 0 300.285 3.533 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000826014958 601441847 /nfs/dbraw/zinc/44/18/47/601441847.db2.gz ZFHXDOULHABGDC-LURJTMIESA-N -1 0 315.803 3.903 20 0 DHADRM COc1ccc2nc(/C=C/c3ccc(C(=O)[O-])[nH]3)sc2c1 ZINC000832504743 601445569 /nfs/dbraw/zinc/44/55/69/601445569.db2.gz VYLOYJFHXZKFFA-XVNBXDOJSA-N -1 0 300.339 3.502 20 0 DHADRM C/C(=C\C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000825717005 601446986 /nfs/dbraw/zinc/44/69/86/601446986.db2.gz QMNACHUYKQVKGA-SAAWKEMMSA-N -1 0 321.804 3.599 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000668301831 601452927 /nfs/dbraw/zinc/45/29/27/601452927.db2.gz STXXRYKQZXTFID-QWHCGFSZSA-N -1 0 323.458 3.760 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000767051829 601458647 /nfs/dbraw/zinc/45/86/47/601458647.db2.gz RKEXRMISCOGCLV-GOSISDBHSA-N -1 0 316.401 3.665 20 0 DHADRM C[C@H](OC(=O)C(C)(C)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827808836 601460021 /nfs/dbraw/zinc/46/00/21/601460021.db2.gz BTMOANGCQVLXGY-NSHDSACASA-N -1 0 302.326 3.560 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000237115504 601465621 /nfs/dbraw/zinc/46/56/21/601465621.db2.gz FHMFVAKATWQURB-JTDSTZFVSA-N -1 0 317.429 3.673 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(C)C)cc1 ZINC000237124502 601469388 /nfs/dbraw/zinc/46/93/88/601469388.db2.gz OCYAMDNEMWBSMC-MRXNPFEDSA-N -1 0 309.431 3.560 20 0 DHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830157879 601477384 /nfs/dbraw/zinc/47/73/84/601477384.db2.gz OEZWGJHIDPHUBW-KGLIPLIRSA-N -1 0 322.430 3.571 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000826820132 601500505 /nfs/dbraw/zinc/50/05/05/601500505.db2.gz NOFBYDZSZPJJBH-CQSZACIVSA-N -1 0 321.760 3.544 20 0 DHADRM C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736663205 601511374 /nfs/dbraw/zinc/51/13/74/601511374.db2.gz WURFBNXQSSNTED-RFAUZJTJSA-N -1 0 309.287 3.580 20 0 DHADRM O=C([O-])C[C@H](NC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000135247156 601531292 /nfs/dbraw/zinc/53/12/92/601531292.db2.gz JGQIZGZOIWMKHZ-JTQLQIEISA-N -1 0 323.801 3.538 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000767074279 601533957 /nfs/dbraw/zinc/53/39/57/601533957.db2.gz OYPRGZQJIZTSKE-DYVFJYSZSA-N -1 0 317.429 3.673 20 0 DHADRM CC(C)c1cnc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000827139476 601578973 /nfs/dbraw/zinc/57/89/73/601578973.db2.gz LGQMTJLJWJOVRP-UHFFFAOYSA-N -1 0 302.374 3.772 20 0 DHADRM COc1ccc(NCc2csc(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000832413364 601606070 /nfs/dbraw/zinc/60/60/70/601606070.db2.gz SJHSSQBUKIJJTP-UHFFFAOYSA-N -1 0 320.414 3.760 20 0 DHADRM O=C([O-])Nc1cccc(NCCCOCCc2ccccc2)c1 ZINC000833289241 601606488 /nfs/dbraw/zinc/60/64/88/601606488.db2.gz JGMYEBGWTWLXSA-UHFFFAOYSA-N -1 0 314.385 3.838 20 0 DHADRM Cc1cc(C)c(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC000738218810 601615155 /nfs/dbraw/zinc/61/51/55/601615155.db2.gz YJNGGZFRFQETKX-CMDGGOBGSA-N -1 0 323.392 3.891 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)(C)C ZINC000776665912 601619900 /nfs/dbraw/zinc/61/99/00/601619900.db2.gz HMRNHXNLHIVRCQ-FPAJZGIOSA-N -1 0 323.820 3.964 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(cccc2Cl)s1 ZINC000621563390 601628213 /nfs/dbraw/zinc/62/82/13/601628213.db2.gz ZDTUZVSVHPJCOK-LLVKDONJSA-N -1 0 323.801 3.634 20 0 DHADRM O=C([O-])c1ccc(COc2ccccc2OC(F)F)cc1F ZINC000833315644 601635863 /nfs/dbraw/zinc/63/58/63/601635863.db2.gz YJCPKSCVNZGIPG-UHFFFAOYSA-N -1 0 312.243 3.704 20 0 DHADRM CCCC[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829431265 601636060 /nfs/dbraw/zinc/63/60/60/601636060.db2.gz ZVSJPIAEFIPJCJ-OAQYLSRUSA-N -1 0 323.439 3.557 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000776663848 601642877 /nfs/dbraw/zinc/64/28/77/601642877.db2.gz IVNOKSQOZRCGEG-BXUZGUMPSA-N -1 0 311.809 3.593 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236836359 601646309 /nfs/dbraw/zinc/64/63/09/601646309.db2.gz XYWHBZGCGGIZJI-MRVPVSSYSA-N -1 0 324.229 3.818 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000833032776 601649529 /nfs/dbraw/zinc/64/95/29/601649529.db2.gz NNHCNJZXAJWYFH-AWEZNQCLSA-N -1 0 305.374 3.841 20 0 DHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC000832857492 601652299 /nfs/dbraw/zinc/65/22/99/601652299.db2.gz QCADCLKNXQCJGE-GOEBONIOSA-N -1 0 309.365 3.511 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833291154 601667221 /nfs/dbraw/zinc/66/72/21/601667221.db2.gz YTNOFMFZAVURQC-XJKSGUPXSA-N -1 0 311.337 3.561 20 0 DHADRM CC[C@](C)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000262103068 601672140 /nfs/dbraw/zinc/67/21/40/601672140.db2.gz HSGZWIKRLLLVRA-KRWDZBQOSA-N -1 0 319.426 3.594 20 0 DHADRM CCCCC[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)C ZINC000829305077 601684018 /nfs/dbraw/zinc/68/40/18/601684018.db2.gz PFSRRIGRWJPDRY-GJZGRUSLSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000827861723 601685899 /nfs/dbraw/zinc/68/58/99/601685899.db2.gz NGHSXQJRQBONKX-VIFPVBQESA-N -1 0 321.279 3.973 20 0 DHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000827861722 601685998 /nfs/dbraw/zinc/68/59/98/601685998.db2.gz NGHSXQJRQBONKX-SECBINFHSA-N -1 0 321.279 3.973 20 0 DHADRM CC(C)CC1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CCCC1 ZINC000390843823 601686550 /nfs/dbraw/zinc/68/65/50/601686550.db2.gz FBFSFSBVUZLMBC-INIZCTEOSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)CC1(CNC(=O)c2cccc(NC(=O)[O-])c2)CCC1 ZINC000826826764 601689421 /nfs/dbraw/zinc/68/94/21/601689421.db2.gz PVVYKPYNXQBFOS-UHFFFAOYSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1cccc(CCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832968008 601713473 /nfs/dbraw/zinc/71/34/73/601713473.db2.gz PMNZNWYIQZUDNQ-UHFFFAOYSA-N -1 0 316.328 3.508 20 0 DHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826127569 601714808 /nfs/dbraw/zinc/71/48/08/601714808.db2.gz YDLHVFINSCYNMC-UHFFFAOYSA-N -1 0 316.328 3.545 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(C)ccc1F ZINC000832935270 601727081 /nfs/dbraw/zinc/72/70/81/601727081.db2.gz FAEZDHXDGKCIGB-UHFFFAOYSA-N -1 0 308.330 3.559 20 0 DHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000826063805 601728452 /nfs/dbraw/zinc/72/84/52/601728452.db2.gz AWOONPWFNWWKJK-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3Cc3ccccc3)n2)c1 ZINC000833328103 601772505 /nfs/dbraw/zinc/77/25/05/601772505.db2.gz VOVMGNLHEFYIPM-JKSUJKDBSA-N -1 0 320.348 3.781 20 0 DHADRM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[C@H](C)C(=O)[O-] ZINC000833016992 601779762 /nfs/dbraw/zinc/77/97/62/601779762.db2.gz 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Cc1ccc(C(=O)N2CCCC(C)(C)CC2)cc1NC(=O)[O-] ZINC000830192940 602996076 /nfs/dbraw/zinc/99/60/76/602996076.db2.gz QJCYONVOPFZQQY-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM CCOc1c(F)cccc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000827410057 602999218 /nfs/dbraw/zinc/99/92/18/602999218.db2.gz UTETZDCSWWAOST-UHFFFAOYSA-N -1 0 319.288 3.534 20 0 DHADRM O=C([O-])NC1(c2noc(-c3csc4ccccc34)n2)CCC1 ZINC000740549441 603005534 /nfs/dbraw/zinc/00/55/34/603005534.db2.gz SXEHRIBVUSKZQD-UHFFFAOYSA-N -1 0 315.354 3.598 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)/C=C/C2CCCCC2)c1 ZINC000740707673 603007398 /nfs/dbraw/zinc/00/73/98/603007398.db2.gz SNTGPFIEEDJKLD-RMKNXTFCSA-N -1 0 306.337 3.991 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1NC(=O)[O-] ZINC000830205477 603007950 /nfs/dbraw/zinc/00/79/50/603007950.db2.gz OZPPAVWGYRJEPK-VNHYZAJKSA-N -1 0 316.401 3.784 20 0 DHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000738904992 603024064 /nfs/dbraw/zinc/02/40/64/603024064.db2.gz 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COc1cc(NC(=O)C=C2CCC(C)CC2)ccc1NC(=O)[O-] ZINC000739869331 603174283 /nfs/dbraw/zinc/17/42/83/603174283.db2.gz XAKNMTGDOBOVTK-UHFFFAOYSA-N -1 0 318.373 3.860 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830252212 603175745 /nfs/dbraw/zinc/17/57/45/603175745.db2.gz WHDBQOZCECFRFF-NEPJUHHUSA-N -1 0 316.357 3.659 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830061987 603178135 /nfs/dbraw/zinc/17/81/35/603178135.db2.gz OVPQBLWBGPERPT-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2cccs2)cc1 ZINC000825418751 603178764 /nfs/dbraw/zinc/17/87/64/603178764.db2.gz WYYCZDYOYYAFSI-TYBABMIJSA-N -1 0 316.382 3.729 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830267150 603180192 /nfs/dbraw/zinc/18/01/92/603180192.db2.gz AFODJYKQYLIHDW-CYBMUJFWSA-N -1 0 312.369 3.884 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c(C)c1 ZINC000740106264 603181508 /nfs/dbraw/zinc/18/15/08/603181508.db2.gz BFVHBMMTUPVYLF-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM Cn1ccc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3)cc21 ZINC000738406927 603185299 /nfs/dbraw/zinc/18/52/99/603185299.db2.gz JNSIDSSCSBQDEB-UHFFFAOYSA-N -1 0 309.325 3.521 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000825442917 603193078 /nfs/dbraw/zinc/19/30/78/603193078.db2.gz SUPWVYWCVNZNDW-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CCc3ccccc32)c(Cl)c1 ZINC000740698495 603200989 /nfs/dbraw/zinc/20/09/89/603200989.db2.gz MXZODZKOFOCCMN-UHFFFAOYSA-N -1 0 316.744 3.633 20 0 DHADRM CCCN(CC1CC1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739357376 603212855 /nfs/dbraw/zinc/21/28/55/603212855.db2.gz DIQKVGWCSYQZFP-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM C[C@H]1CCC[C@H](CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739090101 603228741 /nfs/dbraw/zinc/22/87/41/603228741.db2.gz GUCDKFMLQAMVSY-QWRGUYRKSA-N -1 0 324.808 3.986 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000826768382 603231355 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Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830446281 603278010 /nfs/dbraw/zinc/27/80/10/603278010.db2.gz NPRGFDOAAGQNLX-UHFFFAOYSA-N -1 0 324.380 3.986 20 0 DHADRM CC1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000825713661 603310711 /nfs/dbraw/zinc/31/07/11/603310711.db2.gz DRUBKLAYZOQDLT-UHFFFAOYSA-N -1 0 305.378 3.821 20 0 DHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825888028 603325848 /nfs/dbraw/zinc/32/58/48/603325848.db2.gz NINOGNOLPQBBSI-WDEREUQCSA-N -1 0 323.368 3.958 20 0 DHADRM CC(C)CN(CC(C)C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738821718 603326243 /nfs/dbraw/zinc/32/62/43/603326243.db2.gz SCRVPDKNADDRDX-UHFFFAOYSA-N -1 0 321.421 3.600 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739267956 603333759 /nfs/dbraw/zinc/33/37/59/603333759.db2.gz LGOXFIPBQGWMOM-AWEZNQCLSA-N -1 0 319.405 3.593 20 0 DHADRM CCCCC[C@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739327552 603337148 /nfs/dbraw/zinc/33/71/48/603337148.db2.gz AGXVGCRDNFFNBW-ZDUSSCGKSA-N -1 0 321.421 3.887 20 0 DHADRM C[C@H]1CCCCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739109538 603338251 /nfs/dbraw/zinc/33/82/51/603338251.db2.gz TWIMDXUHCYDJPX-ZDUSSCGKSA-N -1 0 319.405 3.593 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1NC(=O)[O-] ZINC000830181888 603352393 /nfs/dbraw/zinc/35/23/93/603352393.db2.gz IRNONQUXYQTTAA-LLVKDONJSA-N -1 0 318.398 3.980 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1NC(=O)[O-] ZINC000830181889 603352684 /nfs/dbraw/zinc/35/26/84/603352684.db2.gz IRNONQUXYQTTAA-NSHDSACASA-N -1 0 318.398 3.980 20 0 DHADRM CC[C@H](C)CN(C)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739241599 603353815 /nfs/dbraw/zinc/35/38/15/603353815.db2.gz ZCDJMZQGADLHIT-ZDUSSCGKSA-N -1 0 321.421 3.696 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N(C)C1CCCC1)C(=O)[O-] ZINC000739444007 603354660 /nfs/dbraw/zinc/35/46/60/603354660.db2.gz MWURWGIGAMQRFY-UHFFFAOYSA-N -1 0 319.405 3.593 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCC(C)(C)C)cc1 ZINC000825434214 603363792 /nfs/dbraw/zinc/36/37/92/603363792.db2.gz OLCHCQSALMEWME-NSHDSACASA-N -1 0 307.394 3.573 20 0 DHADRM CCCCN(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000826830658 603372929 /nfs/dbraw/zinc/37/29/29/603372929.db2.gz ROWSTPCQZHUVAR-GFCCVEGCSA-N -1 0 319.405 3.812 20 0 DHADRM CCN(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)[C@@H](C)C(C)C ZINC000826979551 603380746 /nfs/dbraw/zinc/38/07/46/603380746.db2.gz ISEYVJMWRZWPKB-OLZOCXBDSA-N -1 0 321.421 3.914 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000824251966 603381134 /nfs/dbraw/zinc/38/11/34/603381134.db2.gz RDELWZADFGWWJK-GFCCVEGCSA-N -1 0 319.405 3.668 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738825540 603385899 /nfs/dbraw/zinc/38/58/99/603385899.db2.gz XOMFQQRFITZNIF-GPANFISMSA-N -1 0 324.465 3.630 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826903163 603386998 /nfs/dbraw/zinc/38/69/98/603386998.db2.gz HREXASTUKRVHNR-CYBMUJFWSA-N -1 0 321.421 3.915 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CC2CCCC2)cc1 ZINC000825423978 603390030 /nfs/dbraw/zinc/39/00/30/603390030.db2.gz XUOPBMXMOLWJDZ-LBPRGKRZSA-N -1 0 319.405 3.669 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1NC(=O)[O-] ZINC000830234154 603390489 /nfs/dbraw/zinc/39/04/89/603390489.db2.gz OCJFQPMEZSPEAS-UHFFFAOYSA-N -1 0 319.386 3.917 20 0 DHADRM CCCc1ncc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000739378131 603393267 /nfs/dbraw/zinc/39/32/67/603393267.db2.gz FLTLOUQOFPMWOF-UHFFFAOYSA-N -1 0 323.349 3.577 20 0 DHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000832333093 603408241 /nfs/dbraw/zinc/40/82/41/603408241.db2.gz QILSKEDWSFMOOB-JQWIXIFHSA-N -1 0 321.764 3.684 20 0 DHADRM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C)cc1NC(=O)[O-] ZINC000830217279 603408912 /nfs/dbraw/zinc/40/89/12/603408912.db2.gz VHCJMXKLMRSMGH-RISCZKNCSA-N -1 0 304.390 3.641 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc3cc[nH]c32)n1 ZINC000824217778 603412805 /nfs/dbraw/zinc/41/28/05/603412805.db2.gz HHYUWYXPEBBWMQ-LBPRGKRZSA-N -1 0 314.345 3.573 20 0 DHADRM CCc1ccc(-c2noc([C@H]3CCC[C@H](NC(=O)[O-])C3)n2)cc1 ZINC000827569030 603420136 /nfs/dbraw/zinc/42/01/36/603420136.db2.gz HTTBHKINTKRYHY-KBPBESRZSA-N -1 0 315.373 3.593 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000740673450 603433225 /nfs/dbraw/zinc/43/32/25/603433225.db2.gz CWQFFMMSYKQCEA-OAHLLOKOSA-N -1 0 324.380 3.513 20 0 DHADRM O=C([O-])NC1(CC(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC000832211068 603456058 /nfs/dbraw/zinc/45/60/58/603456058.db2.gz LMKIMQZOYDYKEZ-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM CC(C)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000825422826 603473106 /nfs/dbraw/zinc/47/31/06/603473106.db2.gz KQVKVMWEGDLWCH-OCCSQVGLSA-N -1 0 319.405 3.525 20 0 DHADRM CS[C@@H](C(=O)Oc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000738141954 603481157 /nfs/dbraw/zinc/48/11/57/603481157.db2.gz LTJQIQQPJXGEBF-CQSZACIVSA-N -1 0 317.366 3.786 20 0 DHADRM CC(C)N(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824323503 603535384 /nfs/dbraw/zinc/53/53/84/603535384.db2.gz DTOIXXMSUQGJDP-YPMHNXCESA-N -1 0 324.808 3.518 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000830480679 603536860 /nfs/dbraw/zinc/53/68/60/603536860.db2.gz RUPLCFOGEXMZCD-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830480123 603546676 /nfs/dbraw/zinc/54/66/76/603546676.db2.gz OGPJLQRHHLLNQP-ZDUSSCGKSA-N -1 0 312.369 3.884 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825860408 603584808 /nfs/dbraw/zinc/58/48/08/603584808.db2.gz JEHONPCLMMSXPH-LALPHHSUSA-N -1 0 317.389 3.961 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826659771 603598708 /nfs/dbraw/zinc/59/87/08/603598708.db2.gz GQEUFFBDMUQLRW-MWLCHTKSSA-N -1 0 309.341 3.568 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc3[nH]ccc32)n1 ZINC000824217150 603601661 /nfs/dbraw/zinc/60/16/61/603601661.db2.gz CDGVQNFQKWNKCI-ZDUSSCGKSA-N -1 0 314.345 3.573 20 0 DHADRM CO[C@@H](C)c1nc(COc2ccc(NC(=O)[O-])cc2)cs1 ZINC000828836047 603620335 /nfs/dbraw/zinc/62/03/35/603620335.db2.gz LBYOZHFOZDPQOX-VIFPVBQESA-N -1 0 308.359 3.519 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826668968 603768794 /nfs/dbraw/zinc/76/87/94/603768794.db2.gz SQKLIKKSTZKYCF-JOYOIKCWSA-N -1 0 309.341 3.616 20 0 DHADRM CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)[C@@H](C)C(C)C ZINC000826971811 603904480 /nfs/dbraw/zinc/90/44/80/603904480.db2.gz ZCSRGYYIBYCYRW-IJEWVQPXSA-N -1 0 320.433 3.524 20 0 DHADRM Cc1ccccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830585743 603968108 /nfs/dbraw/zinc/96/81/08/603968108.db2.gz CRHMFJZEOCDCQD-UHFFFAOYSA-N -1 0 311.341 3.680 20 0 DHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000825871749 603988604 /nfs/dbraw/zinc/98/86/04/603988604.db2.gz HCMYBYCSHGHSMG-RYUDHWBXSA-N -1 0 317.389 3.522 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1 ZINC000826014642 604015318 /nfs/dbraw/zinc/01/53/18/604015318.db2.gz LLZVPLJMCBQEPP-RYUDHWBXSA-N -1 0 319.405 3.668 20 0 DHADRM CC1(C)CCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000825714466 604039786 /nfs/dbraw/zinc/03/97/86/604039786.db2.gz OENGPGLESWRBOF-LBPRGKRZSA-N -1 0 310.781 3.738 20 0 DHADRM CC(C)CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000826849071 604297171 /nfs/dbraw/zinc/29/71/71/604297171.db2.gz RPOGKRCLYXKIOD-UHFFFAOYSA-N -1 0 321.392 3.955 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829285006 604334231 /nfs/dbraw/zinc/33/42/31/604334231.db2.gz IPFKIBHCUWITQS-CYBMUJFWSA-N -1 0 308.422 3.666 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])CC ZINC000828542506 604381706 /nfs/dbraw/zinc/38/17/06/604381706.db2.gz LHYPZWFFAVBQMH-DUMYWPHGSA-N -1 0 315.413 3.867 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000826091087 604390889 /nfs/dbraw/zinc/39/08/89/604390889.db2.gz ZPWLAZYQSAMXAX-HWOXTHGCSA-N -1 0 323.392 3.668 20 0 DHADRM C[C@@H](OC1CCCCCC1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000825612787 604423711 /nfs/dbraw/zinc/42/37/11/604423711.db2.gz WJBVXYGJVHLNRR-LLVKDONJSA-N -1 0 323.393 3.517 20 0 DHADRM CC(C)C(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(C)C ZINC000826699040 604458538 /nfs/dbraw/zinc/45/85/38/604458538.db2.gz DUHWGWPBDVJMPT-UHFFFAOYSA-N -1 0 306.406 3.506 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826871020 604482189 /nfs/dbraw/zinc/48/21/89/604482189.db2.gz KEHHYSLPASOYOU-UHFFFAOYSA-N -1 0 312.435 3.982 20 0 DHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827935023 604487765 /nfs/dbraw/zinc/48/77/65/604487765.db2.gz LYSWBKFTPMIXJL-VIFPVBQESA-N -1 0 322.361 3.810 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833387772 604488437 /nfs/dbraw/zinc/48/84/37/604488437.db2.gz LTVTXSVJBAPDAH-UHFFFAOYSA-N -1 0 320.389 3.669 20 0 DHADRM CC(C)(C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000833418722 604497128 /nfs/dbraw/zinc/49/71/28/604497128.db2.gz MPEXFZYIWYPKAV-UHFFFAOYSA-N -1 0 322.376 3.680 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832921729 604510023 /nfs/dbraw/zinc/51/00/23/604510023.db2.gz RFWKDWAGJXTHPI-NSHDSACASA-N -1 0 318.398 3.680 20 0 DHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828528226 604513207 /nfs/dbraw/zinc/51/32/07/604513207.db2.gz SRNLNBLWNGBLQA-VIFPVBQESA-N -1 0 302.355 3.555 20 0 DHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550215 604523377 /nfs/dbraw/zinc/52/33/77/604523377.db2.gz LGEDIWFBFHRDSO-JTQLQIEISA-N -1 0 315.398 3.516 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832872315 604546216 /nfs/dbraw/zinc/54/62/16/604546216.db2.gz NKCPZZZDJPHDOV-SNVBAGLBSA-N -1 0 322.744 3.787 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C\c2cccc(F)c2)oc1C(=O)[O-] ZINC000832871761 604548278 /nfs/dbraw/zinc/54/82/78/604548278.db2.gz DKOITHLAMPCGPX-ZADCQDASSA-N -1 0 318.300 3.743 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C/c2cccc(F)c2)oc1C(=O)[O-] ZINC000832871758 604548339 /nfs/dbraw/zinc/54/83/39/604548339.db2.gz DKOITHLAMPCGPX-XUIVZRPNSA-N -1 0 318.300 3.743 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000833465937 604567510 /nfs/dbraw/zinc/56/75/10/604567510.db2.gz POQOJQLCDLCEMD-CQSZACIVSA-N -1 0 321.373 3.964 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)c2cccc(F)c2)oc1C(=O)[O-] ZINC000832878938 604592825 /nfs/dbraw/zinc/59/28/25/604592825.db2.gz ZIVUVQFXWORFMC-WDEREUQCSA-N -1 0 320.316 3.833 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)c2cccc(F)c2)oc1C(=O)[O-] ZINC000832878937 604593093 /nfs/dbraw/zinc/59/30/93/604593093.db2.gz ZIVUVQFXWORFMC-QWRGUYRKSA-N -1 0 320.316 3.833 20 0 DHADRM C[C@@H](OC(=O)/C=C\SCc1ccco1)c1ccc(C(=O)[O-])o1 ZINC000827825597 604599189 /nfs/dbraw/zinc/59/91/89/604599189.db2.gz GQZRYWUPIBUKBA-BJPMOSCESA-N -1 0 322.338 3.622 20 0 DHADRM CCN(CC)c1ncc(CNc2cccc(NC(=O)[O-])c2)s1 ZINC000829687103 604643469 /nfs/dbraw/zinc/64/34/69/604643469.db2.gz FMTCZNVEXFGNRR-UHFFFAOYSA-N -1 0 320.418 3.691 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000829347758 604651235 /nfs/dbraw/zinc/65/12/35/604651235.db2.gz MEPHWYWJXREKHP-OAHLLOKOSA-N -1 0 304.390 3.961 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000829207549 604651239 /nfs/dbraw/zinc/65/12/39/604651239.db2.gz ADCROSSSUJGPMU-DOMZBBRYSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)(C(=O)OCc1ccccc1CC(=O)[O-])C1CCCC1 ZINC000833419875 604658365 /nfs/dbraw/zinc/65/83/65/604658365.db2.gz YYSLARZYUOERCD-UHFFFAOYSA-N -1 0 304.386 3.573 20 0 DHADRM CCc1ccccc1C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000830276280 604658949 /nfs/dbraw/zinc/65/89/49/604658949.db2.gz FBUUZTGMKXNFML-KRWDZBQOSA-N -1 0 311.381 3.759 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(F)c(Cl)c2)s1 ZINC000833352992 604694914 /nfs/dbraw/zinc/69/49/14/604694914.db2.gz LCOFUIPDBQHJRU-UHFFFAOYSA-N -1 0 314.721 3.596 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)cc1 ZINC000833309400 604714451 /nfs/dbraw/zinc/71/44/51/604714451.db2.gz UBJBVBRGEBQIFX-QGZVFWFLSA-N -1 0 315.413 3.960 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000829207588 604715258 /nfs/dbraw/zinc/71/52/58/604715258.db2.gz BEWXSIZPYCLFJA-BXUZGUMPSA-N -1 0 320.433 3.625 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829346913 604716786 /nfs/dbraw/zinc/71/67/86/604716786.db2.gz DYNJABUKJAURSB-CYBMUJFWSA-N -1 0 306.406 3.515 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833387318 604725073 /nfs/dbraw/zinc/72/50/73/604725073.db2.gz YQPDLBWJODGDJS-BJMVGYQFSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000315641771 604749567 /nfs/dbraw/zinc/74/95/67/604749567.db2.gz VYKMQMCKFUEXFM-LLVKDONJSA-N -1 0 305.324 3.856 20 0 DHADRM C[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000827773321 604767706 /nfs/dbraw/zinc/76/77/06/604767706.db2.gz IGQZHMUTEIRGOA-LLVKDONJSA-N -1 0 324.340 4.000 20 0 DHADRM CC(C)(C)OCc1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000833445502 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PGZZJVSULHDWTI-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000833382943 605454205 /nfs/dbraw/zinc/45/42/05/605454205.db2.gz IAPTXDFQHWSILL-DUVHGLKDSA-N -1 0 323.392 3.683 20 0 DHADRM Cc1nc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709584 605480484 /nfs/dbraw/zinc/48/04/84/605480484.db2.gz MRVVAKPGHCFDKI-GHMZBOCLSA-N -1 0 319.430 3.631 20 0 DHADRM O=C([O-])C1(CNC(=O)Nc2csc3ccccc23)CCCC1 ZINC000833766699 605489678 /nfs/dbraw/zinc/48/96/78/605489678.db2.gz JNLGJQPXSNRNKJ-UHFFFAOYSA-N -1 0 318.398 3.668 20 0 DHADRM C[C@@H](C(=O)OCc1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000823730886 605546500 /nfs/dbraw/zinc/54/65/00/605546500.db2.gz FRESEIRECCQAEO-SNVBAGLBSA-N -1 0 305.355 3.685 20 0 DHADRM O=C([O-])Nc1cccc(CSC[C@@H](O)c2ccccc2)c1 ZINC000834269689 605575677 /nfs/dbraw/zinc/57/56/77/605575677.db2.gz MYNOIPPXLRFWKX-OAHLLOKOSA-N -1 0 303.383 3.743 20 0 DHADRM Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829914482 605592919 /nfs/dbraw/zinc/59/29/19/605592919.db2.gz LLLCZVVLPFHAEQ-XHDPSFHLSA-N -1 0 304.390 3.736 20 0 DHADRM O=C([O-])N[C@H](CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000834126368 605609577 /nfs/dbraw/zinc/60/95/77/605609577.db2.gz APWUCJUVXNQCOX-QGZVFWFLSA-N -1 0 324.380 3.728 20 0 DHADRM CN(Cc1ccc(NC(=O)[O-])nc1)Cc1ccc(Cl)c(F)c1 ZINC000833874765 605618606 /nfs/dbraw/zinc/61/86/06/605618606.db2.gz YPSOPBFMBRRZHU-UHFFFAOYSA-N -1 0 323.755 3.596 20 0 DHADRM Cc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829940849 605667086 /nfs/dbraw/zinc/66/70/86/605667086.db2.gz QCGYVTVJXPQDQU-UHFFFAOYSA-N -1 0 310.353 3.504 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1NC(=O)[O-] ZINC000829930166 605693041 /nfs/dbraw/zinc/69/30/41/605693041.db2.gz JTKNLGKSECWJTF-AWEZNQCLSA-N -1 0 314.341 3.655 20 0 DHADRM O=C([O-])Nc1cccc(-c2noc(CCCC(F)(F)F)n2)c1 ZINC000834263635 605700288 /nfs/dbraw/zinc/70/02/88/605700288.db2.gz VFFPKQXKDFEOTF-UHFFFAOYSA-N -1 0 315.251 3.712 20 0 DHADRM Cc1cc(C(=O)Nc2ncc(C(C)C)s2)ccc1NC(=O)[O-] ZINC000829970257 605702438 /nfs/dbraw/zinc/70/24/38/605702438.db2.gz DJHABBCQQUIVIE-UHFFFAOYSA-N -1 0 319.386 3.917 20 0 DHADRM CS/C=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833738920 605716047 /nfs/dbraw/zinc/71/60/47/605716047.db2.gz WRYBYYJFOBZBSI-MVIFTORASA-N -1 0 321.181 3.539 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000833514847 605794899 /nfs/dbraw/zinc/79/48/99/605794899.db2.gz CKKPYDOHOBXDDN-RDJZCZTQSA-N -1 0 317.429 3.501 20 0 DHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1nc(C2CC2)cs1 ZINC000833530452 605795450 /nfs/dbraw/zinc/79/54/50/605795450.db2.gz YCVFMKHEEGEBQO-GCVQQVDUSA-N -1 0 323.414 3.516 20 0 DHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000834266598 605802504 /nfs/dbraw/zinc/80/25/04/605802504.db2.gz QPBQORUIHFDVCB-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM C[C@H]1CSC(SCc2cc(C(=O)[O-])ccc2Cl)=N1 ZINC000833632267 605861677 /nfs/dbraw/zinc/86/16/77/605861677.db2.gz VYZKEUFZWLRJAB-ZETCQYMHSA-N 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/nfs/dbraw/zinc/06/25/37/939062537.db2.gz SVXLPCNQCBCWSF-YVEFUNNKSA-N -1 0 321.804 3.502 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000762022502 939071001 /nfs/dbraw/zinc/07/10/01/939071001.db2.gz DNBVLMYOBQZFKT-OUKQBFOZSA-N -1 0 319.376 3.523 20 0 DHADRM CC(C)CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000776665473 939102880 /nfs/dbraw/zinc/10/28/80/939102880.db2.gz CWZFVKKWUYENCM-MRXNPFEDSA-N -1 0 309.381 3.674 20 0 DHADRM CCC[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000780368338 939111435 /nfs/dbraw/zinc/11/14/35/939111435.db2.gz ADABDNKLWFUFND-HNNXBMFYSA-N -1 0 318.417 3.615 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000318129545 939122898 /nfs/dbraw/zinc/12/28/98/939122898.db2.gz WZKUZIVEGXENBC-BHPKHCPMSA-N -1 0 321.442 3.597 20 0 DHADRM C[C@@](NC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000324353552 939125780 /nfs/dbraw/zinc/12/57/80/939125780.db2.gz PJWFRBJKMTXFMY-FQEVSTJZSA-N -1 0 319.360 3.570 20 0 DHADRM CC[C@](NC(=O)C[C@H](C)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795541001 939157263 /nfs/dbraw/zinc/15/72/63/939157263.db2.gz JDVXHAMGEQCMTN-APPDUMDISA-N -1 0 323.820 3.582 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCCC1 ZINC000902412704 939286130 /nfs/dbraw/zinc/28/61/30/939286130.db2.gz OIYLKXMJQCOGHG-LBPRGKRZSA-N -1 0 315.291 3.593 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)C1CCCC1 ZINC000902534909 939286772 /nfs/dbraw/zinc/28/67/72/939286772.db2.gz VZANVYVPAKCPQA-OAHLLOKOSA-N -1 0 305.349 3.533 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC000563669290 939339985 /nfs/dbraw/zinc/33/99/85/939339985.db2.gz JSLIGNKERPKMRS-GFCCVEGCSA-N -1 0 324.789 3.657 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000576179685 939737185 /nfs/dbraw/zinc/73/71/85/939737185.db2.gz BPLIHEGLYLXQCQ-CQSZACIVSA-N -1 0 318.398 3.621 20 0 DHADRM C[C@H]1CC[C@@](NC(=O)CC(C)(C)CC(F)(F)F)(C(=O)[O-])CC1 ZINC000909953301 939747443 /nfs/dbraw/zinc/74/74/43/939747443.db2.gz NVDJVFVWEYZURU-YPFXGUDJSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000630145453 939812605 /nfs/dbraw/zinc/81/26/05/939812605.db2.gz TVZSZAXWZYNPJV-PBHICJAKSA-N -1 0 323.820 3.593 20 0 DHADRM O=C(CC(C1CCC1)C1CCC1)N[C@@H](C(=O)[O-])c1cccs1 ZINC000630175357 939814052 /nfs/dbraw/zinc/81/40/52/939814052.db2.gz RWMSXYCKWBFYGR-MRXNPFEDSA-N -1 0 321.442 3.597 20 0 DHADRM CSc1cc(NC(=O)NC2(C(=O)[O-])CCCCC2)ccc1C ZINC000649536133 939835211 /nfs/dbraw/zinc/83/52/11/939835211.db2.gz LFPCQEFDZRROGR-UHFFFAOYSA-N -1 0 322.430 3.626 20 0 DHADRM Cc1ccccc1NC(=O)N[C@H](C(=O)[O-])C1CCCCCC1 ZINC000653472511 939836222 /nfs/dbraw/zinc/83/62/22/939836222.db2.gz SDNDHKDQFHRHEN-HNNXBMFYSA-N -1 0 304.390 3.540 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000683319635 939870987 /nfs/dbraw/zinc/87/09/87/939870987.db2.gz RCXOWWOWWOBTTJ-XEZPLFJOSA-N -1 0 321.392 3.530 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001600405578 970804136 /nfs/dbraw/zinc/80/41/36/970804136.db2.gz JSAIMPIBVFZMEV-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000322256655 970863711 /nfs/dbraw/zinc/86/37/11/970863711.db2.gz OJYSZMTYHOCMMY-YESZJQIVSA-N -1 0 321.461 3.696 20 0 DHADRM CC[C@H](CNC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001589553144 948770848 /nfs/dbraw/zinc/77/08/48/948770848.db2.gz WKYABUHVFAZUBE-LLVKDONJSA-N -1 0 309.431 3.636 20 0 DHADRM Cc1cccc(CSCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013094782 948775491 /nfs/dbraw/zinc/77/54/91/948775491.db2.gz BSGCFDYMOFVTLL-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H]1CC1(C)C ZINC001589565761 948866689 /nfs/dbraw/zinc/86/66/89/948866689.db2.gz IHUQVDBUBROGRJ-HUUCEWRRSA-N -1 0 318.417 3.650 20 0 DHADRM CCC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000347051716 971520683 /nfs/dbraw/zinc/52/06/83/971520683.db2.gz IJWLWCPNWZNXJU-LBPRGKRZSA-N -1 0 303.383 3.718 20 0 DHADRM CC[C@@H](OC(=O)CCCCC(=O)[O-])c1cc(C)ccc1OC ZINC001589575316 948938252 /nfs/dbraw/zinc/93/82/52/948938252.db2.gz ADLGBEZSRWFPKF-CQSZACIVSA-N -1 0 308.374 3.643 20 0 DHADRM CC[C@@H](NC(=O)c1c2ccccc2cc2ccccc21)C(=O)[O-] ZINC000059949725 948943494 /nfs/dbraw/zinc/94/34/94/948943494.db2.gz WYOAVUSZPZSYJV-MRXNPFEDSA-N -1 0 307.349 3.586 20 0 DHADRM CCn1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc2ccccc21 ZINC000347132740 971522016 /nfs/dbraw/zinc/52/20/16/971522016.db2.gz JUKPBBBANHTJDG-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CCCC[C@H](NC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000347266374 971522930 /nfs/dbraw/zinc/52/29/30/971522930.db2.gz VQGHFOUHOOGYSX-INIZCTEOSA-N -1 0 319.445 3.795 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589586901 949059803 /nfs/dbraw/zinc/05/98/03/949059803.db2.gz ZFNWCKOTFWYIAO-BBWFWOEESA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589586908 949062449 /nfs/dbraw/zinc/06/24/49/949062449.db2.gz ZFNWCKOTFWYIAO-ZACQAIPSSA-N -1 0 317.429 3.733 20 0 DHADRM C[C@H](C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCC1 ZINC001602789796 971548717 /nfs/dbraw/zinc/54/87/17/971548717.db2.gz XTUPMLXFCUITNI-ZDUSSCGKSA-N -1 0 315.413 3.527 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001589597502 949172006 /nfs/dbraw/zinc/17/20/06/949172006.db2.gz FBTRMTGAJSXQOW-BXWFABGCSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC001602796942 971565008 /nfs/dbraw/zinc/56/50/08/971565008.db2.gz LSVDGXPFXAOIBZ-GFCCVEGCSA-N -1 0 317.772 3.594 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(C3CCC3)c2)cc1 ZINC001595230548 949342723 /nfs/dbraw/zinc/34/27/23/949342723.db2.gz IPJOIMOXJQKMCM-UHFFFAOYSA-N -1 0 309.365 3.582 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589631235 949542358 /nfs/dbraw/zinc/54/23/58/949542358.db2.gz BMQNAJLGAFAZNZ-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CCC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCC1 ZINC001589633761 949581319 /nfs/dbraw/zinc/58/13/19/949581319.db2.gz HFYFHROFIZSRFG-ZBFHGGJFSA-N -1 0 324.465 3.632 20 0 DHADRM CCC[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCC1 ZINC001589633758 949582059 /nfs/dbraw/zinc/58/20/59/949582059.db2.gz HFYFHROFIZSRFG-GOEBONIOSA-N -1 0 324.465 3.632 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589638044 949638367 /nfs/dbraw/zinc/63/83/67/949638367.db2.gz WIHJBGFYZQZBGY-ARFHVFGLSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C(C)C ZINC001589638839 949646583 /nfs/dbraw/zinc/64/65/83/949646583.db2.gz FTXRENMBESGECG-HOTGVXAUSA-N -1 0 305.418 3.699 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589640560 949685164 /nfs/dbraw/zinc/68/51/64/949685164.db2.gz IUYJRXWDHSEARP-PRWOLLLXSA-N -1 0 307.390 3.714 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589642454 949708270 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CCN(C(=O)c1ccc(C2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001589711489 950333783 /nfs/dbraw/zinc/33/37/83/950333783.db2.gz XLTNHPFBNKXASL-CYBMUJFWSA-N -1 0 303.402 3.670 20 0 DHADRM C[C@@H](CN(C)C(=O)Nc1ccccc1-c1cccs1)C(=O)[O-] ZINC000263491812 950490320 /nfs/dbraw/zinc/49/03/20/950490320.db2.gz PAQFZOZTCLNFBQ-NSHDSACASA-N -1 0 318.398 3.600 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)sc1Cl ZINC000263522274 950502578 /nfs/dbraw/zinc/50/25/78/950502578.db2.gz ROXDIFHBDSJUKY-YUMQZZPRSA-N -1 0 308.230 3.740 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCCC2(C1)CCCCCC2 ZINC001602847410 971683092 /nfs/dbraw/zinc/68/30/92/971683092.db2.gz LCKAOAVOTGMUQS-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM CCCc1ccccc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000316478826 950881839 /nfs/dbraw/zinc/88/18/39/950881839.db2.gz AAGLGRWZXLCQHV-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)CCC2CCCC2)c2ccccc21 ZINC000316850369 950893022 /nfs/dbraw/zinc/89/30/22/950893022.db2.gz UMMQDPXYLUEKMP-HNNXBMFYSA-N -1 0 301.386 3.562 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000318126465 950922191 /nfs/dbraw/zinc/92/21/91/950922191.db2.gz WPBIDKMIZLZJQW-ZJUUUORDSA-N -1 0 315.291 3.692 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C1(CC(=O)[O-])CCC1 ZINC001602854362 971703233 /nfs/dbraw/zinc/70/32/33/971703233.db2.gz FQKCHLDXTHTEAR-KGLIPLIRSA-N -1 0 309.450 3.600 20 0 DHADRM O=C([O-])CC1(Nc2ccc(C(F)(F)F)c(Cl)n2)CCC1 ZINC001594984892 951018141 /nfs/dbraw/zinc/01/81/41/951018141.db2.gz ZNCYEHQQRJYAFV-UHFFFAOYSA-N -1 0 308.687 3.563 20 0 DHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC000325529782 951086084 /nfs/dbraw/zinc/08/60/84/951086084.db2.gz AZMRMZYPISCFEK-GFCCVEGCSA-N -1 0 323.348 3.551 20 0 DHADRM CCO[C@H](C)c1nc(COc2ccccc2C(=O)[O-])cs1 ZINC001591703378 951163698 /nfs/dbraw/zinc/16/36/98/951163698.db2.gz KWOBOUBRQDZTCC-SNVBAGLBSA-N -1 0 307.371 3.518 20 0 DHADRM CCOc1cc(NC(=O)Nc2ccccc2C(=O)[O-])ccc1C ZINC001592211137 951312049 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O=C([O-])c1ccccc1NC(=O)NCCCCc1ccccc1 ZINC001594757144 953472638 /nfs/dbraw/zinc/47/26/38/953472638.db2.gz IGKCRXFCWRVNBL-UHFFFAOYSA-N -1 0 312.369 3.529 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000427707686 953494804 /nfs/dbraw/zinc/49/48/04/953494804.db2.gz RNVOCIMMRCIBTN-AWEZNQCLSA-N -1 0 319.445 3.676 20 0 DHADRM C[C@@H]1CC(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C)C1 ZINC001589283982 953540303 /nfs/dbraw/zinc/54/03/03/953540303.db2.gz AOYNSCAIOSATLO-QWRGUYRKSA-N -1 0 322.380 3.718 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2ccccc2cc1F ZINC001594772148 953571529 /nfs/dbraw/zinc/57/15/29/953571529.db2.gz VNJVALHESBBCAB-UHFFFAOYSA-N -1 0 323.323 3.607 20 0 DHADRM CCCCc1ccc([C@@H](NC(=O)CCC(=O)[O-])C(C)C)cc1 ZINC000561706990 953589570 /nfs/dbraw/zinc/58/95/70/953589570.db2.gz NIXHZWPHORBHQX-SFHVURJKSA-N -1 0 305.418 3.707 20 0 DHADRM O=C([O-])CCCCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000567141639 953632003 /nfs/dbraw/zinc/63/20/03/953632003.db2.gz NWOYBQJUFQJIJZ-UHFFFAOYSA-N 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C[C@@H]1CN(C(=O)C=C2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC001589372383 954216565 /nfs/dbraw/zinc/21/65/65/954216565.db2.gz LKVNHRUVYVECBD-BXCKNWRKSA-N -1 0 321.461 3.718 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000655581646 954221707 /nfs/dbraw/zinc/22/17/07/954221707.db2.gz ANFRAISWIPKBEN-KGYLQXTDSA-N -1 0 323.820 3.514 20 0 DHADRM O=C([O-])c1cccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000656475513 954301211 /nfs/dbraw/zinc/30/12/11/954301211.db2.gz WKJYVDUMBKNBFM-WFASDCNBSA-N -1 0 309.312 3.539 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2s1 ZINC000659154628 954311647 /nfs/dbraw/zinc/31/16/47/954311647.db2.gz SDTOVUACPDPRFP-MNOVXSKESA-N -1 0 323.801 3.538 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC001589388191 954315013 /nfs/dbraw/zinc/31/50/13/954315013.db2.gz QVBKJEFZWJMBHW-BLLLJJGKSA-N -1 0 310.353 3.610 20 0 DHADRM CC1(C)CC(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC000659762315 954363506 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CC[C@H](C)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001589463425 954872908 /nfs/dbraw/zinc/87/29/08/954872908.db2.gz AKMONEVLIVPHRG-WOSRLPQWSA-N -1 0 303.402 3.525 20 0 DHADRM CCC(CC)(CNC(=O)C1(C(=O)[O-])CCCCC1)C(F)(F)F ZINC001589488050 954996775 /nfs/dbraw/zinc/99/67/75/954996775.db2.gz UCWVSMQWULFVLT-UHFFFAOYSA-N -1 0 323.355 3.506 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589514805 955060355 /nfs/dbraw/zinc/06/03/55/955060355.db2.gz ONTJQOPMCKYJAF-FVQBIDKESA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)co1 ZINC001594968308 955079692 /nfs/dbraw/zinc/07/96/92/955079692.db2.gz NPBQDJNLXZTSGK-BQYQJAHWSA-N -1 0 322.320 3.625 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001603018206 972075394 /nfs/dbraw/zinc/07/53/94/972075394.db2.gz JAYZZACTVAFVBW-UHFFFAOYSA-N -1 0 303.402 3.673 20 0 DHADRM Cc1cc(SC2CCCCC2)ccc1NC(=O)NCC(=O)[O-] ZINC000780495214 955341972 /nfs/dbraw/zinc/34/19/72/955341972.db2.gz 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CCCOc1ccc(Cl)cc1NC(=O)CCCCC(=O)[O-] ZINC000037788658 957326555 /nfs/dbraw/zinc/32/65/55/957326555.db2.gz VMUSDUDWUSOQBR-UHFFFAOYSA-N -1 0 313.781 3.712 20 0 DHADRM CSc1nc2ccc(NC(=O)CCCCC(=O)[O-])cc2s1 ZINC000037793540 957328577 /nfs/dbraw/zinc/32/85/77/957328577.db2.gz OXJYGIGEAHELDC-UHFFFAOYSA-N -1 0 324.427 3.602 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001327074046 957336532 /nfs/dbraw/zinc/33/65/32/957336532.db2.gz UPDZZPOINAUDHK-JTQLQIEISA-N -1 0 321.320 3.594 20 0 DHADRM C[C@@](NCc1ccco1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000041759076 957393459 /nfs/dbraw/zinc/39/34/59/957393459.db2.gz VQDJHTDRLMSLAB-AWEZNQCLSA-N -1 0 314.168 3.676 20 0 DHADRM CC[C@](NCc1csc(C)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000041835812 957400440 /nfs/dbraw/zinc/40/04/40/957400440.db2.gz VIQNTEZHWBUOQK-OAHLLOKOSA-N -1 0 324.833 3.585 20 0 DHADRM O=C([O-])CC1(CNC(=O)c2ccc(Cl)s2)CCCCC1 ZINC000043413354 957430348 /nfs/dbraw/zinc/43/03/48/957430348.db2.gz FXOUHCYGELMUAY-UHFFFAOYSA-N -1 0 315.822 3.557 20 0 DHADRM O=C([O-])c1nccnc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000054553088 957542138 /nfs/dbraw/zinc/54/21/38/957542138.db2.gz GRSKIMGWLDQSNW-UHFFFAOYSA-N -1 0 319.531 3.927 20 0 DHADRM CSc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000057351774 957551064 /nfs/dbraw/zinc/55/10/64/957551064.db2.gz LXRACLSIJMLTJC-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CCN(Cc1csc(-c2ccsc2)n1)C(C)(C)C(=O)[O-] ZINC000061177448 957578514 /nfs/dbraw/zinc/57/85/14/957578514.db2.gz MIDZLNQQTVEJAS-UHFFFAOYSA-N -1 0 310.444 3.557 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000061836560 957591050 /nfs/dbraw/zinc/59/10/50/957591050.db2.gz NTVLCYWHSXVRMR-SMDDNHRTSA-N -1 0 309.793 3.504 20 0 DHADRM Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000062469261 957602139 /nfs/dbraw/zinc/60/21/39/957602139.db2.gz HLPCDYQJUYFDEO-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM O=C([O-])c1ccc(F)c(CSc2nc3ccccc3o2)c1 ZINC000062765372 957611538 /nfs/dbraw/zinc/61/15/38/957611538.db2.gz CXXMECIEKFYGDR-UHFFFAOYSA-N -1 0 303.314 3.957 20 0 DHADRM Cn1c2ccc(C(=O)[O-])cc2nc1-c1c(F)cccc1Cl ZINC000068849912 957648254 /nfs/dbraw/zinc/64/82/54/957648254.db2.gz AVCWDPLRIRNPII-UHFFFAOYSA-N -1 0 304.708 3.731 20 0 DHADRM O=C([O-])COc1cccc(C(=O)Oc2cccc3ccccc32)c1 ZINC001574739123 957684017 /nfs/dbraw/zinc/68/40/17/957684017.db2.gz PVKSPDMJHMEMHE-UHFFFAOYSA-N -1 0 322.316 3.522 20 0 DHADRM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c(C)cc1Cl ZINC001594273870 957697843 /nfs/dbraw/zinc/69/78/43/957697843.db2.gz OHSBDGJOEIVJDZ-UHFFFAOYSA-N -1 0 311.809 3.530 20 0 DHADRM O=C([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)c(Cl)c1 ZINC000081587400 957781249 /nfs/dbraw/zinc/78/12/49/957781249.db2.gz JVAQNYLZLSBHNF-UHFFFAOYSA-N -1 0 318.638 3.639 20 0 DHADRM Cc1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC001594303095 957929494 /nfs/dbraw/zinc/92/94/94/957929494.db2.gz JWEFNYVJPYJSFZ-CQSZACIVSA-N -1 0 316.788 3.622 20 0 DHADRM Cc1cc(Cl)c(OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1F ZINC001594307015 957978434 /nfs/dbraw/zinc/97/84/34/957978434.db2.gz AYZGWLJZWQSZGJ-HNNXBMFYSA-N -1 0 312.724 3.504 20 0 DHADRM CCCCc1noc([C@@H](C)ONC(=O)CCC2CCCCC2)n1 ZINC000083536867 1013164060 /nfs/dbraw/zinc/16/40/60/1013164060.db2.gz FYCFYHYXBLOZQJ-CYBMUJFWSA-N -1 0 323.437 3.882 20 0 DHADRM COc1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)ccc1C ZINC001594055816 958033863 /nfs/dbraw/zinc/03/38/63/958033863.db2.gz BZYKCPLWYQPKOO-INIZCTEOSA-N -1 0 311.381 3.582 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000088129442 958044954 /nfs/dbraw/zinc/04/49/54/958044954.db2.gz HRUSPOPJWSOSFK-RYUDHWBXSA-N -1 0 303.383 3.731 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC001594317607 958085129 /nfs/dbraw/zinc/08/51/29/958085129.db2.gz LKNKMTBBPDIUHT-MRXNPFEDSA-N -1 0 324.380 3.542 20 0 DHADRM Cc1cc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc1Cl ZINC001594327224 958185295 /nfs/dbraw/zinc/18/52/95/958185295.db2.gz SJKGJOYJVBUHLK-DAXSKMNVSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001594333788 958248044 /nfs/dbraw/zinc/24/80/44/958248044.db2.gz BQPPNQPUCQQZLC-VIFPVBQESA-N -1 0 322.748 3.503 20 0 DHADRM O=C([O-])CC1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000093679996 958249156 /nfs/dbraw/zinc/24/91/56/958249156.db2.gz HLJUYQYSGJVVRG-UHFFFAOYSA-N -1 0 302.399 3.501 20 0 DHADRM CN(c1nc(C(F)(F)F)ccc1C(=O)[O-])C1CCCCC1 ZINC000094337947 958289237 /nfs/dbraw/zinc/28/92/37/958289237.db2.gz HETXZVQQZNWQGB-UHFFFAOYSA-N -1 0 302.296 3.568 20 0 DHADRM O=C([O-])c1ccc(CSc2ccccc2Br)nc1 ZINC000094757012 958304224 /nfs/dbraw/zinc/30/42/24/958304224.db2.gz CDNZOFAKVUMVTL-UHFFFAOYSA-N -1 0 324.199 3.835 20 0 DHADRM O=C([O-])c1ccc(CSc2ccc(Br)cc2)nc1 ZINC000094757014 958304790 /nfs/dbraw/zinc/30/47/90/958304790.db2.gz ALNLKLIHZVNYGI-UHFFFAOYSA-N -1 0 324.199 3.835 20 0 DHADRM Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)c(Cl)c1C ZINC001594346976 958324670 /nfs/dbraw/zinc/32/46/70/958324670.db2.gz PTAPJWDOCBXOLX-UHFFFAOYSA-N -1 0 317.772 3.585 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc(Cl)cc1 ZINC000096713678 958339286 /nfs/dbraw/zinc/33/92/86/958339286.db2.gz AETTXQQJNVXMML-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1ccc(C(F)(F)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594351014 958355034 /nfs/dbraw/zinc/35/50/34/958355034.db2.gz SETGGEWYQVCXIB-UHFFFAOYSA-N -1 0 323.270 3.563 20 0 DHADRM Cc1ccc(C)c([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001594352152 958372705 /nfs/dbraw/zinc/37/27/05/958372705.db2.gz GPUHKTOYZKUOPL-CQSZACIVSA-N -1 0 303.402 3.516 20 0 DHADRM Cc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001594354823 958404979 /nfs/dbraw/zinc/40/49/79/958404979.db2.gz IIIRBBQPTHZXGZ-UHFFFAOYSA-N -1 0 318.756 3.633 20 0 DHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c(Cl)c1 ZINC001594369526 958533845 /nfs/dbraw/zinc/53/38/45/958533845.db2.gz YPARVUILOQDHCX-UHFFFAOYSA-N -1 0 309.793 3.724 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)cc1 ZINC001588481264 958593131 /nfs/dbraw/zinc/59/31/31/958593131.db2.gz VYRYGCJCKSSBIU-RUMSDORHSA-N -1 0 321.392 3.625 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC001573372568 958641449 /nfs/dbraw/zinc/64/14/49/958641449.db2.gz WQVMSEJUQAKYEN-ZETCQYMHSA-N -1 0 317.357 3.515 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001573372780 958642353 /nfs/dbraw/zinc/64/23/53/958642353.db2.gz ZZRUXBKANUDSFU-CYBMUJFWSA-N -1 0 317.429 3.590 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC001594387887 958692367 /nfs/dbraw/zinc/69/23/67/958692367.db2.gz MDCTUHCJNWELCF-UHFFFAOYSA-N -1 0 319.401 3.616 20 0 DHADRM Cc1cccc([C@@H](NC(=O)/C(F)=C\C2CCCCC2)C(=O)[O-])c1 ZINC001594390619 958711703 /nfs/dbraw/zinc/71/17/03/958711703.db2.gz YPRHHDSRWZBLCE-RBFDBLARSA-N -1 0 319.376 3.671 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CC2CCCCCC2)C(=O)[O-])c1 ZINC001594391713 958734294 /nfs/dbraw/zinc/73/42/94/958734294.db2.gz KFTUFQCTFMSNDZ-QGZVFWFLSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(C)cc2C)C(=O)[O-])c1 ZINC001594396380 958770325 /nfs/dbraw/zinc/77/03/25/958770325.db2.gz GOOKIEHKNLATBX-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2SC(F)F)o1 ZINC000132556724 958788462 /nfs/dbraw/zinc/78/84/62/958788462.db2.gz YOOPGKQNRNFAOO-UHFFFAOYSA-N -1 0 313.281 3.545 20 0 DHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)OCC2CCCCC2)c2ccccc21 ZINC001605743234 972386983 /nfs/dbraw/zinc/38/69/83/972386983.db2.gz IAHDWOXHPFOSSB-JKSUJKDBSA-N -1 0 317.385 3.606 20 0 DHADRM CC(C)(C)c1cnc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)s1 ZINC001573463573 958929852 /nfs/dbraw/zinc/92/98/52/958929852.db2.gz HEOLWXXSTKNXQR-UHFFFAOYSA-N -1 0 324.446 3.516 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001594409518 958934762 /nfs/dbraw/zinc/93/47/62/958934762.db2.gz FTUOTVTXLKUSNA-AWEZNQCLSA-N -1 0 303.402 3.597 20 0 DHADRM CC(C)(C)c1coc(CN2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001573464225 958935863 /nfs/dbraw/zinc/93/58/63/958935863.db2.gz YENISTPCYGCYEY-ZDUSSCGKSA-N -1 0 314.385 3.551 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001573467522 958937738 /nfs/dbraw/zinc/93/77/38/958937738.db2.gz ILVCUGFVDLNMDA-UHFFFAOYSA-N -1 0 324.465 3.680 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594411593 958954955 /nfs/dbraw/zinc/95/49/55/958954955.db2.gz ZTLXPBQBXSODOK-JSGCOSHPSA-N -1 0 324.380 3.708 20 0 DHADRM O=C([O-])c1cc(NC(=O)Cc2cccc3ccccc32)ccc1F ZINC000391924248 972390916 /nfs/dbraw/zinc/39/09/16/972390916.db2.gz CVXBSJSZQXHZIS-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM Cc1cccc2sc(NC(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC001594413994 958982282 /nfs/dbraw/zinc/98/22/82/958982282.db2.gz QURPRARNQDNMJN-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC(C)CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C ZINC001573516696 959102646 /nfs/dbraw/zinc/10/26/46/959102646.db2.gz DDYOQFLPCUGONY-ZDUSSCGKSA-N -1 0 314.470 3.637 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573516855 959105755 /nfs/dbraw/zinc/10/57/55/959105755.db2.gz KUMHZETXZWNBPC-OKFNSAOFSA-N -1 0 319.401 3.712 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC001594425427 959115580 /nfs/dbraw/zinc/11/55/80/959115580.db2.gz FTZXTUZIFCKRLA-NXEZZACHSA-N -1 0 307.396 3.558 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573518298 959119018 /nfs/dbraw/zinc/11/90/18/959119018.db2.gz VCJIHCKUQJKISG-VQHVLOKHSA-N -1 0 307.390 3.522 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC001588564209 959120074 /nfs/dbraw/zinc/12/00/74/959120074.db2.gz DCPXEFWALLLROZ-GDBMZVCRSA-N -1 0 315.413 3.631 20 0 DHADRM CSCCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594188020 959138743 /nfs/dbraw/zinc/13/87/43/959138743.db2.gz INSJJBSZFVGLBJ-UHFFFAOYSA-N -1 0 315.394 3.543 20 0 DHADRM CSc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001594193656 959179351 /nfs/dbraw/zinc/17/93/51/959179351.db2.gz VQSKWTBSYQTXGD-NSHDSACASA-N -1 0 315.394 3.598 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001588571350 959185480 /nfs/dbraw/zinc/18/54/80/959185480.db2.gz WTTYUCQJKDWCES-NILFDRSVSA-N -1 0 323.820 3.593 20 0 DHADRM CSc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001594195264 959190858 /nfs/dbraw/zinc/19/08/58/959190858.db2.gz WDZZVHOSKXLZHY-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM Cc1cocc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594436162 959237376 /nfs/dbraw/zinc/23/73/76/959237376.db2.gz WPAHXOVDPCAZOH-MRVPVSSYSA-N -1 0 319.382 3.725 20 0 DHADRM CC(C)[C@@H]1C[C@@H](OC(=O)[C@@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001573558851 959267831 /nfs/dbraw/zinc/26/78/31/959267831.db2.gz VDZGISZPLVITER-ARFHVFGLSA-N -1 0 302.370 3.525 20 0 DHADRM Cc1csc2ncnc(Oc3cc(C(=O)[O-])ccc3F)c12 ZINC001594441141 959270533 /nfs/dbraw/zinc/27/05/33/959270533.db2.gz PGWBGZVTTDATST-UHFFFAOYSA-N -1 0 304.302 3.629 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c2c1 ZINC001573567046 959293804 /nfs/dbraw/zinc/29/38/04/959293804.db2.gz RDCOEMVCSLYFGE-DOMZBBRYSA-N -1 0 315.369 3.539 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594212743 959304448 /nfs/dbraw/zinc/30/44/48/959304448.db2.gz WPQAJLNGWHPNGP-PIGZYNQJSA-N -1 0 319.405 3.506 20 0 DHADRM C[C@@H](CC(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001573576420 959331440 /nfs/dbraw/zinc/33/14/40/959331440.db2.gz KMZPBYIFWBGZLL-ZDUSSCGKSA-N -1 0 303.402 3.608 20 0 DHADRM C[C@H](C(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001588600263 959417567 /nfs/dbraw/zinc/41/75/67/959417567.db2.gz UVNIDQIFPRAFQC-LBPRGKRZSA-N -1 0 324.336 3.504 20 0 DHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCCCCC1 ZINC001594235296 959507220 /nfs/dbraw/zinc/50/72/20/959507220.db2.gz HSWQFJKMBDVRML-ZDUSSCGKSA-N -1 0 318.417 3.543 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2scnc2C2CC2)cc1Cl ZINC000190609992 959515024 /nfs/dbraw/zinc/51/50/24/959515024.db2.gz FDBSFCIMNQGCBM-UHFFFAOYSA-N -1 0 322.773 3.624 20 0 DHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000191136641 959542170 /nfs/dbraw/zinc/54/21/70/959542170.db2.gz 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/nfs/dbraw/zinc/77/19/63/959771963.db2.gz GEFJKFXHPMBNAW-UHFFFAOYSA-N -1 0 312.207 3.813 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001588653951 960406141 /nfs/dbraw/zinc/40/61/41/960406141.db2.gz KRQVKRXXCWKOBW-HZPDHXFCSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](SCCC(=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC001603281475 972511219 /nfs/dbraw/zinc/51/12/19/972511219.db2.gz LBFCFICXOFFJSR-QMMMGPOBSA-N -1 0 312.778 3.659 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)C1(CC(=O)[O-])CCC1 ZINC001574257385 960541948 /nfs/dbraw/zinc/54/19/48/960541948.db2.gz INPKYHUWKWMJIU-NSHDSACASA-N -1 0 308.399 3.658 20 0 DHADRM CC[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001573757763 960571632 /nfs/dbraw/zinc/57/16/32/960571632.db2.gz DUHTXCGIULFVHO-CYBMUJFWSA-N -1 0 301.317 3.656 20 0 DHADRM C[C@H]1c2sccc2CCN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573757975 960577362 /nfs/dbraw/zinc/57/73/62/960577362.db2.gz LLXCMUNWHJMRPQ-LBPRGKRZSA-N -1 0 321.442 3.619 20 0 DHADRM 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Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000237656942 960988137 /nfs/dbraw/zinc/98/81/37/960988137.db2.gz KVRYWGIMCNIANV-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM Cc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c2ccccc12 ZINC001574351413 960991173 /nfs/dbraw/zinc/99/11/73/960991173.db2.gz WLMDMSMQZVIWRU-AWEZNQCLSA-N -1 0 311.381 3.618 20 0 DHADRM CC[C@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001573829572 961002005 /nfs/dbraw/zinc/00/20/05/961002005.db2.gz BJFBPSIPWWHAQG-WPRPVWTQSA-N -1 0 313.394 3.648 20 0 DHADRM Cc1ccc([C@H](C)CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001574356831 961004900 /nfs/dbraw/zinc/00/49/00/961004900.db2.gz GCDRWKHGWPZTMQ-OAHLLOKOSA-N -1 0 317.429 3.640 20 0 DHADRM CC[C@@H]1CCc2c(sc(NC(=O)CC3CC3)c2C(=O)[O-])C1 ZINC001573830935 961019484 /nfs/dbraw/zinc/01/94/84/961019484.db2.gz WNXRAOVYBHGCAH-SECBINFHSA-N -1 0 307.415 3.700 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573836312 961055594 /nfs/dbraw/zinc/05/55/94/961055594.db2.gz PRPBNFVSVOYUBS-DNVCBOLYSA-N -1 0 319.445 3.608 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000237979239 961063593 /nfs/dbraw/zinc/06/35/93/961063593.db2.gz OZCKYTUQQHUZQR-INIZCTEOSA-N -1 0 301.386 3.570 20 0 DHADRM Cc1ccc(F)cc1[C@@H](C)OC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574368958 961063770 /nfs/dbraw/zinc/06/37/70/961063770.db2.gz LJDVLCQDOOHLBT-ABAIWWIYSA-N -1 0 308.349 3.629 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573840698 961069170 /nfs/dbraw/zinc/06/91/70/961069170.db2.gz HECGBVPNYHHODJ-JSGCOSHPSA-N -1 0 319.405 3.508 20 0 DHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048617785 1013230869 /nfs/dbraw/zinc/23/08/69/1013230869.db2.gz JAXMQIDSVNDXOH-JTQLQIEISA-N -1 0 319.373 3.826 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)s1 ZINC000238032011 961082555 /nfs/dbraw/zinc/08/25/55/961082555.db2.gz TUVJOZNXFGGIHL-LLVKDONJSA-N -1 0 321.785 3.517 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1CC1CC1 ZINC001326376169 961085307 /nfs/dbraw/zinc/08/53/07/961085307.db2.gz RJPFCRXJVCPVBQ-UHFFFAOYSA-N -1 0 318.398 3.527 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000238045084 961086110 /nfs/dbraw/zinc/08/61/10/961086110.db2.gz QZUPSJQKZQSSJK-UHFFFAOYSA-N -1 0 307.305 3.897 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCC[C@H](C)C1 ZINC001573843266 961096836 /nfs/dbraw/zinc/09/68/36/961096836.db2.gz XGMJEACXWJMLIF-JONQDZQNSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)Oc1ccncc1NCc1ccc(C(=O)[O-])s1 ZINC001588734444 961120646 /nfs/dbraw/zinc/12/06/46/961120646.db2.gz MVEPBZUMNYSKIC-UHFFFAOYSA-N -1 0 306.387 3.631 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001588734595 961124894 /nfs/dbraw/zinc/12/48/94/961124894.db2.gz HBJGYHANDPGSFB-CQSZACIVSA-N -1 0 321.417 3.687 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])cc2c1 ZINC001574384520 961128125 /nfs/dbraw/zinc/12/81/25/961128125.db2.gz NSGLKMDKQNABTH-NHYWBVRUSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)c1ocnc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001326830778 961131269 /nfs/dbraw/zinc/13/12/69/961131269.db2.gz VBDJTWLAHZIPCU-UHFFFAOYSA-N -1 0 322.792 3.538 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001574389964 961164811 /nfs/dbraw/zinc/16/48/11/961164811.db2.gz XACAQCSBNNVUMC-CQSZACIVSA-N -1 0 315.756 3.625 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001574389963 961165107 /nfs/dbraw/zinc/16/51/07/961165107.db2.gz XACAQCSBNNVUMC-AWEZNQCLSA-N -1 0 315.756 3.625 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238225151 961167097 /nfs/dbraw/zinc/16/70/97/961167097.db2.gz XEBVXACJIYHJHV-GJZGRUSLSA-N -1 0 315.756 3.780 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001588741165 961168603 /nfs/dbraw/zinc/16/86/03/961168603.db2.gz QUZLMXXCFQKLPH-UHFFFAOYSA-N -1 0 317.410 3.674 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CC(=O)[O-])CCC1 ZINC001588741449 961171829 /nfs/dbraw/zinc/17/18/29/961171829.db2.gz DQACDMOOVPURSZ-UHFFFAOYSA-N -1 0 315.413 3.518 20 0 DHADRM Cc1cccc([C@H](NC(=O)C2CC3(C2)CCCCC3)C(=O)[O-])c1 ZINC001574390543 961172569 /nfs/dbraw/zinc/17/25/69/961172569.db2.gz YDGGHJYXGWMWFK-INIZCTEOSA-N -1 0 315.413 3.597 20 0 DHADRM CSCc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000518847781 1013233089 /nfs/dbraw/zinc/23/30/89/1013233089.db2.gz CUKAFBJJBZAKHR-UHFFFAOYSA-N -1 0 324.405 3.643 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001573864358 961183841 /nfs/dbraw/zinc/18/38/41/961183841.db2.gz GRFGESRVYTYILA-IAQYHMDHSA-N -1 0 323.820 3.618 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001574401504 961233843 /nfs/dbraw/zinc/23/38/43/961233843.db2.gz LBDRHXYRHQXRFU-MRXNPFEDSA-N -1 0 315.413 3.619 20 0 DHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001574401839 961237134 /nfs/dbraw/zinc/23/71/34/961237134.db2.gz FJUZFYYOTVHARL-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM O=C([O-])c1cc(NC(=O)C2(CF)CCC2)cc2ccccc21 ZINC001329292435 961263167 /nfs/dbraw/zinc/26/31/67/961263167.db2.gz JZSVKASDSIDHHS-UHFFFAOYSA-N -1 0 301.317 3.616 20 0 DHADRM Cc1oc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC001330513012 961342387 /nfs/dbraw/zinc/34/23/87/961342387.db2.gz DAFDDEJHSAWDRL-HDJSIYSDSA-N -1 0 319.401 3.509 20 0 DHADRM CCC(CC)(CNC(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000261679116 961387124 /nfs/dbraw/zinc/38/71/24/961387124.db2.gz HVVSESXNDZDROC-UHFFFAOYSA-N -1 0 321.348 3.501 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588797559 961406072 /nfs/dbraw/zinc/40/60/72/961406072.db2.gz OVMOMXBZHMTPOA-ZDUSSCGKSA-N -1 0 304.390 3.570 20 0 DHADRM CCCc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262081685 961441205 /nfs/dbraw/zinc/44/12/05/961441205.db2.gz BMPWRXRKLCNWJX-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM O=C([O-])CC1CC(Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC001331967158 961441751 /nfs/dbraw/zinc/44/17/51/961441751.db2.gz GGQJLPIYVNXSOW-UHFFFAOYSA-N -1 0 302.399 3.839 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC001588809707 961514267 /nfs/dbraw/zinc/51/42/67/961514267.db2.gz UEAPTMOHOUDVES-INIZCTEOSA-N -1 0 312.369 3.726 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1F ZINC001573930432 961568652 /nfs/dbraw/zinc/56/86/52/961568652.db2.gz BSFHLCRHHWPSOC-MRXNPFEDSA-N -1 0 315.344 3.713 20 0 DHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001573931548 961579586 /nfs/dbraw/zinc/57/95/86/961579586.db2.gz BNUVUODDXSMURD-ZIAGYGMSSA-N -1 0 322.430 3.571 20 0 DHADRM CCC1CCC(N(C)C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262248863 961591567 /nfs/dbraw/zinc/59/15/67/961591567.db2.gz VFTJGLDEJAKTJJ-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001573942866 961621154 /nfs/dbraw/zinc/62/11/54/961621154.db2.gz GFKXKCOKEKCZOS-JYJNAYRXSA-N -1 0 317.429 3.576 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262376752 961680867 /nfs/dbraw/zinc/68/08/67/961680867.db2.gz YEGOBXGCYSJOJM-VXGBXAGGSA-N -1 0 323.355 3.506 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)cc1 ZINC001333523721 961715627 /nfs/dbraw/zinc/71/56/27/961715627.db2.gz WPIUIXYHFWVYEC-WMLDXEAASA-N -1 0 317.429 3.843 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnc(C3CC3)s2)c1 ZINC001333548912 961718032 /nfs/dbraw/zinc/71/80/32/961718032.db2.gz ONOYGZUCMMQBCG-UHFFFAOYSA-N -1 0 322.773 3.624 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC001588835193 961761583 /nfs/dbraw/zinc/76/15/83/961761583.db2.gz GLLRUIYEYZNUMY-BBWFWOEESA-N -1 0 317.429 3.732 20 0 DHADRM O=C([O-])[C@H](NC(=O)/C=C\C1CCCCCC1)c1ccc(F)cc1 ZINC001574512140 961802879 /nfs/dbraw/zinc/80/28/79/961802879.db2.gz GMIYKJDNUNICRB-UUKWBXHYSA-N -1 0 319.376 3.594 20 0 DHADRM C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262718614 961825644 /nfs/dbraw/zinc/82/56/44/961825644.db2.gz DKIPYIAZGAJDSA-KHIZAZIESA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)[C@H]1N(C(=O)NCCCCC(=O)[O-])CC12CCCCCC2 ZINC001588842659 961826032 /nfs/dbraw/zinc/82/60/32/961826032.db2.gz KQUZFIXYSNCDRR-MRXNPFEDSA-N -1 0 324.465 3.632 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1Cl ZINC001574516155 961849412 /nfs/dbraw/zinc/84/94/12/961849412.db2.gz RWOXJWSFEYPKPL-VGMNWLOBSA-N -1 0 311.740 3.552 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1)C(=O)[O-] ZINC000262763643 961855928 /nfs/dbraw/zinc/85/59/28/961855928.db2.gz KOZQTJPAPZRNPG-RYUDHWBXSA-N -1 0 317.410 3.754 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)CCc1cccc(Cl)c1 ZINC001574525821 961881131 /nfs/dbraw/zinc/88/11/31/961881131.db2.gz OLEDDUPPJCYJME-UHFFFAOYSA-N -1 0 309.774 3.671 20 0 DHADRM CC[C@H](CC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(C)cc1 ZINC000659238889 1013299039 /nfs/dbraw/zinc/29/90/39/1013299039.db2.gz QBGQXJORZHMUET-IDHHARJASA-N -1 0 317.429 3.638 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1ccc(Cl)c2occc21)C(=O)[O-] ZINC001588858962 961987827 /nfs/dbraw/zinc/98/78/27/961987827.db2.gz JZDNGXJVZFPGTJ-SNVBAGLBSA-N -1 0 323.776 3.563 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1ccc(Cl)c2occc21)C(=O)[O-] ZINC001588858961 961988811 /nfs/dbraw/zinc/98/88/11/961988811.db2.gz JZDNGXJVZFPGTJ-JTQLQIEISA-N -1 0 323.776 3.563 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001588867883 962035596 /nfs/dbraw/zinc/03/55/96/962035596.db2.gz MBUFXWMFLRWDJR-SFHVURJKSA-N -1 0 319.401 3.551 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC001574565879 962039929 /nfs/dbraw/zinc/03/99/29/962039929.db2.gz ZBTKTYRJWGJHBL-UHFFFAOYSA-N -1 0 324.380 3.529 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001340794637 962112531 /nfs/dbraw/zinc/11/25/31/962112531.db2.gz CWPXPZLWVXRSJP-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM O=C([O-])[C@]1(C(=O)NC(C2CCCC2)C2CCCC2)CC=CCC1 ZINC001574625746 962273210 /nfs/dbraw/zinc/27/32/10/962273210.db2.gz AQVDIROLGGPWLK-LJQANCHMSA-N -1 0 319.445 3.663 20 0 DHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000263152524 962304315 /nfs/dbraw/zinc/30/43/15/962304315.db2.gz JCTLFEJUPXKCBW-PPWQZUPISA-N -1 0 309.450 3.551 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263168121 962320106 /nfs/dbraw/zinc/32/01/06/962320106.db2.gz FPIDEHXNIAJZLO-VXGBXAGGSA-N -1 0 309.431 3.735 20 0 DHADRM CCCc1occc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263182550 962338283 /nfs/dbraw/zinc/33/82/83/962338283.db2.gz HLBQPOMBPIYDMW-NSHDSACASA-N -1 0 301.342 3.673 20 0 DHADRM CC[C@@H]1CN(C(=O)CCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000263293596 962434574 /nfs/dbraw/zinc/43/45/74/962434574.db2.gz LYPKOFJKDLFVKF-NVXWUHKLSA-N -1 0 317.429 3.674 20 0 DHADRM CC(C)O[C@@H]1C[C@H](Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC001588933830 962484135 /nfs/dbraw/zinc/48/41/35/962484135.db2.gz YPZNYZWMFIASFN-JKSUJKDBSA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)O[C@H]1C[C@H](Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC001588933826 962484336 /nfs/dbraw/zinc/48/43/36/962484336.db2.gz YPZNYZWMFIASFN-HOTGVXAUSA-N -1 0 305.418 3.708 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2cccs2)c1 ZINC000263337887 962488120 /nfs/dbraw/zinc/48/81/20/962488120.db2.gz RFJZJHAVGMVLAX-LLVKDONJSA-N -1 0 317.410 3.853 20 0 DHADRM COc1cc(C)sc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263351484 962506132 /nfs/dbraw/zinc/50/61/32/962506132.db2.gz VRIODLADKAOSMI-SNVBAGLBSA-N -1 0 319.382 3.506 20 0 DHADRM CC(C)[C@@H](CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263354121 962507453 /nfs/dbraw/zinc/50/74/53/962507453.db2.gz WKKXVOMBRBHVBN-APWZRJJASA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)[C@H](NC(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC001588957768 962603086 /nfs/dbraw/zinc/60/30/86/962603086.db2.gz UZZUIYSVVXYRPO-JTQLQIEISA-N -1 0 320.723 3.508 20 0 DHADRM CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000066146196 1013357356 /nfs/dbraw/zinc/35/73/56/1013357356.db2.gz DMKOCXQHNZOZQX-UHFFFAOYSA-N -1 0 313.353 3.672 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000263466352 962653490 /nfs/dbraw/zinc/65/34/90/962653490.db2.gz WROWXJHUQYPFCU-YLFCFFPRSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)C1(C(=O)[O-])CC=CC1 ZINC001588968618 962659933 /nfs/dbraw/zinc/65/99/33/962659933.db2.gz NDFBOKZSWHIZTI-UHFFFAOYSA-N -1 0 313.397 3.510 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)nc2ccccc12 ZINC001354031883 962691028 /nfs/dbraw/zinc/69/10/28/962691028.db2.gz RMWSEHMVJWENDV-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CC(C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000263545304 962722307 /nfs/dbraw/zinc/72/23/07/962722307.db2.gz TTZKIDMZNHSNKI-SMDDNHRTSA-N -1 0 323.820 3.646 20 0 DHADRM CCCN(CCc1cccs1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263583281 962750384 /nfs/dbraw/zinc/75/03/84/962750384.db2.gz ZSUCISMKXQJMNY-UHFFFAOYSA-N -1 0 317.410 3.541 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCCC12CCCCC2 ZINC000313079845 963617348 /nfs/dbraw/zinc/61/73/48/963617348.db2.gz QDKZWGVBUKGOHY-INIZCTEOSA-N -1 0 315.413 3.547 20 0 DHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1sc2ccccc2c1Cl ZINC000313966632 963694433 /nfs/dbraw/zinc/69/44/33/963694433.db2.gz MZCSHJVWFSJRTD-JTQLQIEISA-N -1 0 323.801 3.538 20 0 DHADRM Cc1nc(-c2cccc(NC(=O)C[C@H](C)CC(=O)[O-])c2)cs1 ZINC000315274048 963873160 /nfs/dbraw/zinc/87/31/60/963873160.db2.gz AUQZVTAZSZNLKC-JTQLQIEISA-N -1 0 318.398 3.558 20 0 DHADRM CC(C)Cc1nc(C(=O)Nc2cccc(Cl)c2[O-])cs1 ZINC000340321088 1013493178 /nfs/dbraw/zinc/49/31/78/1013493178.db2.gz JLSATOQFRPMHIU-UHFFFAOYSA-N -1 0 310.806 3.953 20 0 DHADRM COc1ccc(-c2cc(C)c3ccsc3n2)cc1CC(=O)[O-] ZINC000427465637 1013542981 /nfs/dbraw/zinc/54/29/81/1013542981.db2.gz IAVUQNGJQGRTHN-UHFFFAOYSA-N -1 0 313.378 3.907 20 0 DHADRM CCc1noc(C)c1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000520426225 1013737802 /nfs/dbraw/zinc/73/78/02/1013737802.db2.gz BRLJWPSBBHZDPX-UHFFFAOYSA-N -1 0 314.263 3.522 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262079940 1013741565 /nfs/dbraw/zinc/74/15/65/1013741565.db2.gz BKDMZSOKPSTCCY-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CC[C@@H](C)Oc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000263450028 967894633 /nfs/dbraw/zinc/89/46/33/967894633.db2.gz AFTDMZAVPUPQOB-GFCCVEGCSA-N -1 0 322.405 3.629 20 0 DHADRM Cc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC000315592555 967974516 /nfs/dbraw/zinc/97/45/16/967974516.db2.gz KAORVLGLWCQMOJ-AWEZNQCLSA-N -1 0 304.390 3.555 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000683623538 1013770827 /nfs/dbraw/zinc/77/08/27/1013770827.db2.gz MUNXBGBUGVAGGY-CQSZACIVSA-N -1 0 323.726 3.911 20 0 DHADRM Cc1cc(F)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC000424627760 968369207 /nfs/dbraw/zinc/36/92/07/968369207.db2.gz WGWWISXWUBYJDQ-DYVFJYSZSA-N -1 0 317.335 3.676 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)c1ccccc1F)CC(=O)[O-] ZINC000652086614 968612296 /nfs/dbraw/zinc/61/22/96/968612296.db2.gz DZCAVIGULGKQMX-KGLIPLIRSA-N -1 0 323.408 3.573 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331739 968664325 /nfs/dbraw/zinc/66/43/25/968664325.db2.gz VSRLNFICVNTQND-BQGCOEIASA-N -1 0 315.413 3.632 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000315954656 1013828325 /nfs/dbraw/zinc/82/83/25/1013828325.db2.gz VHIKTUTZKIYUIF-HNNXBMFYSA-N -1 0 304.390 3.671 20 0 DHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000049135771 1013845875 /nfs/dbraw/zinc/84/58/75/1013845875.db2.gz YXRITUNMRVHRAJ-QMMMGPOBSA-N -1 0 319.785 3.561 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000911371411 969635017 /nfs/dbraw/zinc/63/50/17/969635017.db2.gz OFAHPZWIEXFKQP-UHFFFAOYSA-N -1 0 321.707 3.525 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001342720748 969755685 /nfs/dbraw/zinc/75/56/85/969755685.db2.gz PCJBCFXYAGHEOX-LFIXQJEJSA-N -1 0 315.413 3.583 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCCc2ccccc2)ccc1Cl ZINC000315227263 1013972421 /nfs/dbraw/zinc/97/24/21/1013972421.db2.gz GHJWJELUKFBVAZ-UHFFFAOYSA-N -1 0 317.772 4.000 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)CC1 ZINC000318603875 970453140 /nfs/dbraw/zinc/45/31/40/970453140.db2.gz RVPUHPKOAZVUJM-LBDPXKHJSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)o1 ZINC000580108275 1014032284 /nfs/dbraw/zinc/03/22/84/1014032284.db2.gz IGFXQLNLKRGNGS-UHFFFAOYSA-N -1 0 321.398 3.710 20 0 DHADRM Cc1cc(NC2CCC3(CCOCC3)CC2)ccc1C(=O)[O-] ZINC000580168638 1014049295 /nfs/dbraw/zinc/04/92/95/1014049295.db2.gz YFSPASIRVKSXTQ-UHFFFAOYSA-N -1 0 303.402 3.845 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001603375595 972924075 /nfs/dbraw/zinc/92/40/75/972924075.db2.gz BVSBJZCQBZQMKX-GBJTYRQASA-N -1 0 309.450 3.693 20 0 DHADRM Cc1cc2ccccc2c(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001605200824 972927378 /nfs/dbraw/zinc/92/73/78/972927378.db2.gz OFHJUSNWCPXBLC-LBPRGKRZSA-N -1 0 312.369 3.618 20 0 DHADRM C[C@H]1CC(C(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@H](C)C1 ZINC001603376269 972936868 /nfs/dbraw/zinc/93/68/68/972936868.db2.gz WCCQVITVEHDDBB-CHWSQXEVSA-N -1 0 303.402 3.715 20 0 DHADRM Nc1cnc(Nc2cccc(O)c2Cl)c(Br)c1 ZINC001210853793 1014072878 /nfs/dbraw/zinc/07/28/78/1014072878.db2.gz JZVNEOSKVPNIKT-UHFFFAOYSA-N -1 0 314.570 3.529 20 0 DHADRM Cc1ccc(-c2nnc([C@H](C)S[C@H](C)C(=O)[O-])o2)cc1C ZINC001605238109 972996082 /nfs/dbraw/zinc/99/60/82/972996082.db2.gz ZSEDHYCCTUKYFX-WDEREUQCSA-N -1 0 306.387 3.621 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccnc3ccccc32)cc1 ZINC000325813837 1014076468 /nfs/dbraw/zinc/07/64/68/1014076468.db2.gz RSIXZNZGIIKJHN-JXMROGBWSA-N -1 0 318.332 3.585 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605277804 973071499 /nfs/dbraw/zinc/07/14/99/973071499.db2.gz SGQIOLAFJLINMI-PLNGDYQASA-N -1 0 305.717 3.592 20 0 DHADRM C[C@@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)[C@@H]1C(=O)[O-] ZINC001603414752 973096910 /nfs/dbraw/zinc/09/69/10/973096910.db2.gz GWKISMWPOIFDGC-SKDRFNHKSA-N -1 0 324.833 3.635 20 0 DHADRM C[C@H]1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001603417119 973125331 /nfs/dbraw/zinc/12/53/31/973125331.db2.gz MTUXQLCRKZRXFB-ZNZOUBGRSA-N -1 0 321.461 3.718 20 0 DHADRM O=C1NCCc2ccc(Nc3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC001210929029 1014091011 /nfs/dbraw/zinc/09/10/11/1014091011.db2.gz QXUUUNPUTQTPML-UHFFFAOYSA-N -1 0 323.179 3.729 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2)c1 ZINC001605318186 973146266 /nfs/dbraw/zinc/14/62/66/973146266.db2.gz BELOUHNYYNYODR-HXUWFJFHSA-N -1 0 323.392 3.599 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC000398470251 973146915 /nfs/dbraw/zinc/14/69/15/973146915.db2.gz PBDVJJDJCCMUOL-JTQLQIEISA-N -1 0 314.316 3.680 20 0 DHADRM Cc1cccc(-c2nsc(NCCCCCC(=O)[O-])n2)c1 ZINC001605318486 973147625 /nfs/dbraw/zinc/14/76/25/973147625.db2.gz HDTYEKRZUJZWMM-UHFFFAOYSA-N -1 0 305.403 3.570 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001605321569 973160229 /nfs/dbraw/zinc/16/02/29/973160229.db2.gz 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CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cscc2Cl)C1 ZINC001603600536 973839306 /nfs/dbraw/zinc/83/93/06/973839306.db2.gz MKVKPCQLBADURM-ZDUSSCGKSA-N -1 0 316.810 3.510 20 0 DHADRM CCC1(CC)CCc2nc(NC(=O)CCCC(=O)[O-])sc2C1 ZINC001603611304 973887030 /nfs/dbraw/zinc/88/70/30/973887030.db2.gz DIRMXENRRDIGDE-UHFFFAOYSA-N -1 0 324.446 3.632 20 0 DHADRM O=C([O-])[C@H]1CCCN(C(=O)c2csc(C3CCCCC3)c2)C1 ZINC001606449534 973892783 /nfs/dbraw/zinc/89/27/83/973892783.db2.gz LKKVRCWVMRXTHF-ZDUSSCGKSA-N -1 0 321.442 3.733 20 0 DHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001603618235 973907389 /nfs/dbraw/zinc/90/73/89/973907389.db2.gz LWUXCHVLBJEHPF-UHFFFAOYSA-N -1 0 324.380 3.580 20 0 DHADRM CCC[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603627902 973940667 /nfs/dbraw/zinc/94/06/67/973940667.db2.gz MCHXCZDYZWGAFM-DAYGRLMNSA-N -1 0 303.402 3.632 20 0 DHADRM CCCC(=CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)CCC ZINC001603628645 973950099 /nfs/dbraw/zinc/95/00/99/973950099.db2.gz SVUXYCSZIRLOGQ-INIZCTEOSA-N -1 0 307.365 3.594 20 0 DHADRM CCCCC[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1 ZINC001603640854 973985747 /nfs/dbraw/zinc/98/57/47/973985747.db2.gz HSFSLBLWEAWYSX-HOCLYGCPSA-N -1 0 320.433 3.718 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603641451 973990077 /nfs/dbraw/zinc/99/00/77/973990077.db2.gz QUGYJXWYAMPTQG-GFCCVEGCSA-N -1 0 317.389 3.578 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603641959 973996216 /nfs/dbraw/zinc/99/62/16/973996216.db2.gz UZKGRPMCZSBBHL-ZBFHGGJFSA-N -1 0 318.417 3.543 20 0 DHADRM CSc1ccc(C)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424383120 974023432 /nfs/dbraw/zinc/02/34/32/974023432.db2.gz PAOZDPZTQFLPDP-LBPRGKRZSA-N -1 0 324.446 3.585 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000425249393 974040610 /nfs/dbraw/zinc/04/06/10/974040610.db2.gz TXYPNKUNPBOUKX-INMHGKMJSA-N -1 0 317.429 3.562 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c(F)c1 ZINC001605667948 974068534 /nfs/dbraw/zinc/06/85/34/974068534.db2.gz KSVVYGCMLUMDKX-QHHAFSJGSA-N -1 0 324.311 3.657 20 0 DHADRM CCCc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603692727 974088810 /nfs/dbraw/zinc/08/88/10/974088810.db2.gz KUOMGDCICAQJSW-VBNZEHGJSA-N -1 0 317.429 3.504 20 0 DHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001603714735 974128153 /nfs/dbraw/zinc/12/81/53/974128153.db2.gz SOTUWYQXGKGXJZ-SREVYHEPSA-N -1 0 319.744 3.698 20 0 DHADRM CCC[C@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455930189 974170933 /nfs/dbraw/zinc/17/09/33/974170933.db2.gz OATMFNCIHQTXCJ-CABZTGNLSA-N -1 0 317.307 3.541 20 0 DHADRM Cc1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000486296792 974247437 /nfs/dbraw/zinc/24/74/37/974247437.db2.gz SVRKPNOZQAYRPY-LBPRGKRZSA-N -1 0 315.344 3.965 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000517390683 974317430 /nfs/dbraw/zinc/31/74/30/974317430.db2.gz IZAPOLHYQIBTOB-CQSZACIVSA-N -1 0 305.418 3.562 20 0 DHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000539675994 974398573 /nfs/dbraw/zinc/39/85/73/974398573.db2.gz AVRAJPZNMWBZQS-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603968436 974450914 /nfs/dbraw/zinc/45/09/14/974450914.db2.gz WNNCQIJYPXZVMB-LSDHHAIUSA-N -1 0 303.402 3.559 20 0 DHADRM CCc1ccc(CCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001603968796 974453549 /nfs/dbraw/zinc/45/35/49/974453549.db2.gz QRXOTDNJCNSSJS-UHFFFAOYSA-N -1 0 312.365 3.623 20 0 DHADRM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001603975285 974466090 /nfs/dbraw/zinc/46/60/90/974466090.db2.gz RGRMKRUCPJNSSG-MRXNPFEDSA-N -1 0 312.369 3.505 20 0 DHADRM COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccsc2C(=O)[O-])c1 ZINC000563279176 974524508 /nfs/dbraw/zinc/52/45/08/974524508.db2.gz YLJKBFUEEUOZCP-HNNXBMFYSA-N -1 0 317.410 3.792 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000563426211 974530654 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O=C([O-])C[C@@H]1CCCN1c1ccnc2cc(C(F)(F)F)ccc21 ZINC000567984595 974651993 /nfs/dbraw/zinc/65/19/93/974651993.db2.gz UODJCYSGFJEHDD-NSHDSACASA-N -1 0 324.302 3.697 20 0 DHADRM CCCC[N@H+](CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568061498 974657075 /nfs/dbraw/zinc/65/70/75/974657075.db2.gz IISIOFHDIVSDMM-UHFFFAOYSA-N -1 0 302.374 3.662 20 0 DHADRM Cc1oc(CN(Cc2ccc(F)cc2F)C2CC2)cc1C(=O)[O-] ZINC000568520839 974673590 /nfs/dbraw/zinc/67/35/90/974673590.db2.gz QBLLZDPJWKXCKD-UHFFFAOYSA-N -1 0 321.323 3.729 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnc(C2CC2)s1 ZINC000571774508 974736025 /nfs/dbraw/zinc/73/60/25/974736025.db2.gz RIHOCVDONBHOTI-UHFFFAOYSA-N -1 0 302.399 3.948 20 0 DHADRM Cc1ccc(C[C@@H](Sc2ccnc(C(C)C)n2)C(=O)[O-])cc1 ZINC000572781229 974754297 /nfs/dbraw/zinc/75/42/97/974754297.db2.gz GJHXVBRRAADSIB-CQSZACIVSA-N -1 0 316.426 3.696 20 0 DHADRM CSc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Cl ZINC000578453061 974854833 /nfs/dbraw/zinc/85/48/33/974854833.db2.gz DOYPVLYGAAKLHR-QMMMGPOBSA-N -1 0 301.795 3.501 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000579611120 974878940 /nfs/dbraw/zinc/87/89/40/974878940.db2.gz IUYJXMATUWSARH-AWEZNQCLSA-N -1 0 317.429 3.701 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(C2CC2)c1)c1ccccc1 ZINC000580658159 974898095 /nfs/dbraw/zinc/89/80/95/974898095.db2.gz CNSIJVGTAPIRHI-SFHVURJKSA-N -1 0 323.392 3.900 20 0 DHADRM Cc1sc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)nc1C(=O)[O-] ZINC000580894398 974902070 /nfs/dbraw/zinc/90/20/70/974902070.db2.gz CBWMTJPYMCBTAD-DTORHVGOSA-N -1 0 322.352 3.707 20 0 DHADRM O=C([O-])Cc1cccc(N[C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000583428356 974940641 /nfs/dbraw/zinc/94/06/41/974940641.db2.gz YGNGJSVNYLKSIT-YJBOKZPZSA-N -1 0 310.397 3.847 20 0 DHADRM CSCC1(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000593695022 974981977 /nfs/dbraw/zinc/98/19/77/974981977.db2.gz FUBHQMBCELNBML-UHFFFAOYSA-N -1 0 321.442 3.521 20 0 DHADRM CSCc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000595243729 974992328 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Cc1cccc2cc(C(=O)N(CC(=O)[O-])C3CCCC3)sc21 ZINC000621576387 975037974 /nfs/dbraw/zinc/03/79/74/975037974.db2.gz KNOPKSGWADAXLP-UHFFFAOYSA-N -1 0 317.410 3.679 20 0 DHADRM CCC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621587534 975044322 /nfs/dbraw/zinc/04/43/22/975044322.db2.gz DXZYICXVOVHSNO-KBMXLJTQSA-N -1 0 303.402 3.630 20 0 DHADRM CCCC[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000621706434 975063583 /nfs/dbraw/zinc/06/35/83/975063583.db2.gz UIPYKQXILBMTSS-ZDUSSCGKSA-N -1 0 322.792 3.503 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)oc1C(=O)[O-] ZINC000630107076 975103812 /nfs/dbraw/zinc/10/38/12/975103812.db2.gz AATXSNZFHINTSH-AWEZNQCLSA-N -1 0 313.353 3.572 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000630108048 975104576 /nfs/dbraw/zinc/10/45/76/975104576.db2.gz ZPRQLUHYVRWZPZ-GFCCVEGCSA-N -1 0 321.760 3.821 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000630127469 975113547 /nfs/dbraw/zinc/11/35/47/975113547.db2.gz RRFNTFBOOAZGMY-CQSZACIVSA-N -1 0 317.410 3.701 20 0 DHADRM Cc1cc(C(=O)N2CCCC3(CCCCC3)CC2)oc1C(=O)[O-] ZINC000630180253 975145416 /nfs/dbraw/zinc/14/54/16/975145416.db2.gz DCPMXJYGXZIYME-UHFFFAOYSA-N -1 0 319.401 3.863 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)C(C)(C)C ZINC000630205746 975159048 /nfs/dbraw/zinc/15/90/48/975159048.db2.gz CTOSWURHGUGGTN-LVQVYYBASA-N -1 0 323.477 3.941 20 0 DHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1C1CC1)C1CCCCC1 ZINC000630265112 975208433 /nfs/dbraw/zinc/20/84/33/975208433.db2.gz NBPFNYUMQBVQAV-AWEZNQCLSA-N -1 0 321.442 3.636 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630278562 975223058 /nfs/dbraw/zinc/22/30/58/975223058.db2.gz HTNBPXDZCIPLAJ-QZWWFDLISA-N -1 0 321.461 3.695 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630294223 975234912 /nfs/dbraw/zinc/23/49/12/975234912.db2.gz HFGFVUSHEKGIML-DLBZAZTESA-N -1 0 317.429 3.816 20 0 DHADRM 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C[C@@H](CC(=O)[O-])SCc1cccc(C(=O)C(F)(F)F)c1 ZINC001592421875 978033083 /nfs/dbraw/zinc/03/30/83/978033083.db2.gz ANNXZZBBZLGTDA-QMMMGPOBSA-N -1 0 306.305 3.528 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1ccn(-c2ccc(Cl)cc2)n1 ZINC001592422153 978035995 /nfs/dbraw/zinc/03/59/95/978035995.db2.gz MEISXSAIAVSWLR-SNVBAGLBSA-N -1 0 310.806 3.622 20 0 DHADRM C[C@@H](CC(=O)[O-])c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1 ZINC001592424827 978047836 /nfs/dbraw/zinc/04/78/36/978047836.db2.gz XUOXCARZOLVKLO-LBPRGKRZSA-N -1 0 309.365 3.817 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001592430339 978062679 /nfs/dbraw/zinc/06/26/79/978062679.db2.gz YRPUNKQTZKVGGV-BDJLRTHQSA-N -1 0 302.370 3.742 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N[C@@H](C)CCC(=O)[O-])c2c1 ZINC000909448627 1014461025 /nfs/dbraw/zinc/46/10/25/1014461025.db2.gz PPFKELLRAXHSPV-NSHDSACASA-N -1 0 303.358 3.539 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001592477327 978242791 /nfs/dbraw/zinc/24/27/91/978242791.db2.gz KSGLVSVJBBZSNV-GFCCVEGCSA-N -1 0 323.458 3.854 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592478276 978251194 /nfs/dbraw/zinc/25/11/94/978251194.db2.gz SQTBQKIFGZBRHE-MUKKUYKPSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592478961 978256474 /nfs/dbraw/zinc/25/64/74/978256474.db2.gz YVLAJYIDTZRTJR-HIFRSBDPSA-N -1 0 311.466 3.989 20 0 DHADRM CC[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000736940042 978367727 /nfs/dbraw/zinc/36/77/27/978367727.db2.gz QMAMZKXWBAMWDM-ZDUSSCGKSA-N -1 0 320.389 3.578 20 0 DHADRM CCC/C=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736973283 978370230 /nfs/dbraw/zinc/37/02/30/978370230.db2.gz IKVYSGWJLSJHRQ-PTZVLDCSSA-N -1 0 317.429 3.972 20 0 DHADRM C[C@@H](CN(C)C(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC001592573970 978467743 /nfs/dbraw/zinc/46/77/43/978467743.db2.gz DETYDNPIRWOEOX-AWEZNQCLSA-N -1 0 317.429 3.602 20 0 DHADRM Cc1cc(NC(=S)N[C@@H]2CCCC[C@H]2C)sc1C(=O)[O-] ZINC000738452148 978540353 /nfs/dbraw/zinc/54/03/53/978540353.db2.gz JSRMIBDGSZHHHL-PSASIEDQSA-N -1 0 312.460 3.620 20 0 DHADRM Cc1oc(CNc2c(C)cccc2OC(F)F)cc1C(=O)[O-] ZINC000738735653 978598074 /nfs/dbraw/zinc/59/80/74/978598074.db2.gz XPNNXLKOKSWCNN-UHFFFAOYSA-N -1 0 311.284 3.808 20 0 DHADRM O=C([O-])c1ccc2nc(SCC(=O)C3CCCCC3)oc2c1 ZINC000740202884 978672241 /nfs/dbraw/zinc/67/22/41/978672241.db2.gz MKBDFVFWRLNHCA-UHFFFAOYSA-N -1 0 319.382 3.768 20 0 DHADRM Cc1cc(C)c(/C=C\C(=O)NCCCCCCC(=O)[O-])cc1C ZINC000746368153 978684148 /nfs/dbraw/zinc/68/41/48/978684148.db2.gz XVNBRBOSSYZOIS-KTKRTIGZSA-N -1 0 317.429 3.776 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000746691320 978685638 /nfs/dbraw/zinc/68/56/38/978685638.db2.gz WCJITZVIEYRQFI-GFCCVEGCSA-N -1 0 316.401 3.617 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1cccc(Cl)c1 ZINC000761647650 978713025 /nfs/dbraw/zinc/71/30/25/978713025.db2.gz ALEOOMUXLJUQMH-JXMNSVBMSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1c(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000766897730 978728245 /nfs/dbraw/zinc/72/82/45/978728245.db2.gz GHWMDSWPKKUTLA-NSHDSACASA-N -1 0 315.344 3.650 20 0 DHADRM COCc1cc(NC(=O)CCC2CCCCC2)cc(C(=O)[O-])c1 ZINC000427712819 1014521656 /nfs/dbraw/zinc/52/16/56/1014521656.db2.gz FFWLTPHFDQSIAB-UHFFFAOYSA-N -1 0 319.401 3.830 20 0 DHADRM CC(C)(C)/C=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673758 978768750 /nfs/dbraw/zinc/76/87/50/978768750.db2.gz AZOHDPLFEPNBSR-SBDDDAINSA-N -1 0 309.793 3.574 20 0 DHADRM CC(C)(C)/C=C\C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673760 978768894 /nfs/dbraw/zinc/76/88/94/978768894.db2.gz AZOHDPLFEPNBSR-WSROAFLRSA-N -1 0 309.793 3.574 20 0 DHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000777358384 978775639 /nfs/dbraw/zinc/77/56/39/978775639.db2.gz GJVGOVVUJLNUHG-UHFFFAOYSA-N -1 0 319.360 3.744 20 0 DHADRM CCCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000777361759 978776346 /nfs/dbraw/zinc/77/63/46/978776346.db2.gz HNUSTBKWBZEQNR-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000811811939 978855852 /nfs/dbraw/zinc/85/58/52/978855852.db2.gz JEFRVMXGHPGQHE-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816322 978860156 /nfs/dbraw/zinc/86/01/56/978860156.db2.gz TXALACRAQATZFL-SECBINFHSA-N -1 0 323.801 3.933 20 0 DHADRM CC/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000823352935 978937878 /nfs/dbraw/zinc/93/78/78/978937878.db2.gz MIAZGGOCMSMVPT-LBWZGELYSA-N -1 0 311.381 3.828 20 0 DHADRM COc1ccc(OC(F)F)c(/C=C/c2cc(C(=O)[O-])ccn2)c1 ZINC000581086137 1014547849 /nfs/dbraw/zinc/54/78/49/1014547849.db2.gz SBKHJQHSLNISKL-NSCUHMNNSA-N -1 0 321.279 3.560 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000833152691 979096619 /nfs/dbraw/zinc/09/66/19/979096619.db2.gz YBASEIHCWQVXOE-DMDPSCGWSA-N -1 0 320.364 3.614 20 0 DHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001595029391 979156518 /nfs/dbraw/zinc/15/65/18/979156518.db2.gz ADMYSSJBVUWZFV-HNNXBMFYSA-N -1 0 317.429 3.816 20 0 DHADRM CC[C@H](CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595033974 979180116 /nfs/dbraw/zinc/18/01/16/979180116.db2.gz WQUBHAGZRMPMRK-DJIMGWMZSA-N -1 0 319.445 3.507 20 0 DHADRM CC[C@@H](CC(=O)Nc1cccnc1SCCC(=O)[O-])C(C)C ZINC001595036418 979195286 /nfs/dbraw/zinc/19/52/86/979195286.db2.gz DWFDZIYJCPWVAL-LBPRGKRZSA-N -1 0 324.446 3.659 20 0 DHADRM CC[C@H](CC(C)C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595036722 979199027 /nfs/dbraw/zinc/19/90/27/979199027.db2.gz XSMZVBFKQQZSBR-GDBMZVCRSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@H](CC(C)C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595036725 979200180 /nfs/dbraw/zinc/20/01/80/979200180.db2.gz XSMZVBFKQQZSBR-ZBFHGGJFSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)C ZINC001595036964 979201934 /nfs/dbraw/zinc/20/19/34/979201934.db2.gz KLWXIOQPRJODST-NSHDSACASA-N -1 0 302.374 3.877 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001595036978 979202135 /nfs/dbraw/zinc/20/21/35/979202135.db2.gz LIYWFALTJSIUCI-LBPRGKRZSA-N -1 0 313.353 3.613 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001595037965 979205946 /nfs/dbraw/zinc/20/59/46/979205946.db2.gz AVYCIUNOWHYZGM-SSDOTTSWSA-N -1 0 324.682 3.922 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595041710 979227848 /nfs/dbraw/zinc/22/78/48/979227848.db2.gz CRBCGWRLFLRESW-ZETCQYMHSA-N -1 0 305.708 3.658 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001595042925 979240654 /nfs/dbraw/zinc/24/06/54/979240654.db2.gz YEYLTZDNGXKSPO-QPUJVOFHSA-N -1 0 320.719 3.690 20 0 DHADRM C[C@@H](CNc1ncc(C(=O)[O-])cc1C(F)(F)F)CC(F)F ZINC001592729778 979245861 /nfs/dbraw/zinc/24/58/61/979245861.db2.gz RCTKGWBXILEKDR-ZCFIWIBFSA-N -1 0 312.238 3.502 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000840942833 979279807 /nfs/dbraw/zinc/27/98/07/979279807.db2.gz HBYVODBMAXINSO-NSHDSACASA-N -1 0 303.383 3.554 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C/C2CCCCC2)cc1 ZINC000840944631 979283514 /nfs/dbraw/zinc/28/35/14/979283514.db2.gz LHOACIRYYYYQDO-WHGQRRHOSA-N -1 0 301.386 3.950 20 0 DHADRM CC1CCN(c2ccc(NC3CCC(C(=O)[O-])CC3)cc2)CC1 ZINC000840994491 979292745 /nfs/dbraw/zinc/29/27/45/979292745.db2.gz QFQIPJITWAGZJO-UHFFFAOYSA-N -1 0 316.445 3.978 20 0 DHADRM C[C@@H](NC(=O)CCCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000843331369 979339970 /nfs/dbraw/zinc/33/99/70/979339970.db2.gz PNODAPXAGWWDQH-LLVKDONJSA-N -1 0 319.788 3.925 20 0 DHADRM Cc1sc(NCC[C@]2(C)CC2(Cl)Cl)nc1C(=O)[O-] ZINC000844216342 979379009 /nfs/dbraw/zinc/37/90/09/979379009.db2.gz OJGITGRCEQWVLF-SNVBAGLBSA-N -1 0 309.218 3.536 20 0 DHADRM CCC(CC)(NC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C)C(=O)[O-] ZINC001595090631 979383157 /nfs/dbraw/zinc/38/31/57/979383157.db2.gz KENDHCSKDIHNIX-ZIAGYGMSSA-N -1 0 317.429 3.736 20 0 DHADRM O=C([O-])CCCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000844245624 979390500 /nfs/dbraw/zinc/39/05/00/979390500.db2.gz NPTFLLNUCSJOSP-SFHVURJKSA-N -1 0 303.402 3.679 20 0 DHADRM C[C@](COC(=O)c1ccsc1Cl)(C(=O)[O-])c1ccccc1 ZINC001592772342 979391079 /nfs/dbraw/zinc/39/10/79/979391079.db2.gz NSWKFCBIFYNXAQ-OAHLLOKOSA-N -1 0 324.785 3.601 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ncc(-c2ccccc2)s1 ZINC000846276033 979443362 /nfs/dbraw/zinc/44/33/62/979443362.db2.gz XYKOIOLXEYLHAV-AWEZNQCLSA-N -1 0 318.442 3.741 20 0 DHADRM CCC(CC)CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595109706 979446365 /nfs/dbraw/zinc/44/63/65/979446365.db2.gz MANQLNZPDUCUSM-UHFFFAOYSA-N -1 0 303.402 3.799 20 0 DHADRM CCC(CC)CCCN(C)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595110045 979451532 /nfs/dbraw/zinc/45/15/32/979451532.db2.gz VPFRHBIYUHDNGA-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1nc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])sc1C ZINC000849349089 979500087 /nfs/dbraw/zinc/50/00/87/979500087.db2.gz PSKUTKMSBMGJME-CYBMUJFWSA-N -1 0 307.440 3.856 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 ZINC000851594222 979505583 /nfs/dbraw/zinc/50/55/83/979505583.db2.gz HZQNAQJLQGKVCC-PKNBQFBNSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])/C=C\c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 ZINC000851594221 979505676 /nfs/dbraw/zinc/50/56/76/979505676.db2.gz HZQNAQJLQGKVCC-LUAWRHEFSA-N -1 0 317.385 3.562 20 0 DHADRM CCC(CC)n1ccc(CSCc2cccc(C(=O)[O-])n2)n1 ZINC001595124532 979505620 /nfs/dbraw/zinc/50/56/20/979505620.db2.gz LOLIREYJIUENJC-UHFFFAOYSA-N -1 0 319.430 3.771 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000851598245 979515711 /nfs/dbraw/zinc/51/57/11/979515711.db2.gz PDIHMCBAVGCSTK-LLVKDONJSA-N -1 0 323.801 3.538 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001595126688 979520752 /nfs/dbraw/zinc/52/07/52/979520752.db2.gz YSDZZWUNNZVCHR-HNNXBMFYSA-N -1 0 309.450 3.887 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cscc1C(F)(F)F ZINC000856923536 979611718 /nfs/dbraw/zinc/61/17/18/979611718.db2.gz WEYJFLRMKLYIEJ-UHFFFAOYSA-N -1 0 323.336 3.532 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)/C=C/C1CCCC1 ZINC000856979743 979617223 /nfs/dbraw/zinc/61/72/23/979617223.db2.gz CNVDCZZZLMDTHS-HTSSDKKRSA-N -1 0 313.397 3.550 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])s1)CC(F)(F)F ZINC001595152885 979649518 /nfs/dbraw/zinc/64/95/18/979649518.db2.gz QLWZWXLXGAIMFW-SSDOTTSWSA-N -1 0 324.324 3.546 20 0 DHADRM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864101122 979684885 /nfs/dbraw/zinc/68/48/85/979684885.db2.gz KMJLUVMCCCHJOE-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM CCCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000864117555 979711484 /nfs/dbraw/zinc/71/14/84/979711484.db2.gz NEOIGEGRQJKKCM-HNNXBMFYSA-N -1 0 317.410 3.599 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)NCC2CC(C)(C)C2)cc1)C(=O)[O-] ZINC001592867466 979715629 /nfs/dbraw/zinc/71/56/29/979715629.db2.gz QZGKZWDQLKIMSL-GFCCVEGCSA-N -1 0 318.417 3.508 20 0 DHADRM CSCCCCCCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000864136046 979738958 /nfs/dbraw/zinc/73/89/58/979738958.db2.gz RQUKLLCRMPEHGT-UHFFFAOYSA-N -1 0 301.433 3.698 20 0 DHADRM C[C@@H](Cc1ccc(NCc2cccn2C(F)F)cc1)C(=O)[O-] ZINC001592877070 979743289 /nfs/dbraw/zinc/74/32/89/979743289.db2.gz ILLPGQDDGFMUGM-NSHDSACASA-N -1 0 308.328 3.759 20 0 DHADRM CC[C@@H](CNc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001595172564 979743583 /nfs/dbraw/zinc/74/35/83/979743583.db2.gz HYDIDKCBVWGZGY-AWEZNQCLSA-N -1 0 323.396 3.727 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000864143325 979747821 /nfs/dbraw/zinc/74/78/21/979747821.db2.gz HYINDMLZJPPBAG-CQSZACIVSA-N -1 0 315.394 3.562 20 0 DHADRM C[C@H](Cc1ccc(Nc2nc3c(cccc3F)o2)cc1)C(=O)[O-] ZINC001592883080 979756706 /nfs/dbraw/zinc/75/67/06/979756706.db2.gz KKVHDNRXTQXOFA-SNVBAGLBSA-N -1 0 314.316 3.974 20 0 DHADRM CC(C)C[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000864177584 979822314 /nfs/dbraw/zinc/82/23/14/979822314.db2.gz ILCOZRIDXWFBKT-LBPRGKRZSA-N -1 0 309.793 3.689 20 0 DHADRM CC[C@H](CSCc1coc(-c2ccc(C(=O)[O-])cc2)n1)OC ZINC001595204002 979971259 /nfs/dbraw/zinc/97/12/59/979971259.db2.gz WFEQOSCVJSWEMG-CQSZACIVSA-N -1 0 321.398 3.698 20 0 DHADRM CC[C@H](Cc1ccccc1C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595218306 980031844 /nfs/dbraw/zinc/03/18/44/980031844.db2.gz IINCGINTKMZBIM-CQSZACIVSA-N -1 0 312.365 3.868 20 0 DHADRM CC[C@@H](F)C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001595222380 980060117 /nfs/dbraw/zinc/06/01/17/980060117.db2.gz GZMSIDDEVIULJY-SNVBAGLBSA-N -1 0 307.346 3.800 20 0 DHADRM CC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC(F)(F)C1 ZINC000872742061 980136046 /nfs/dbraw/zinc/13/60/46/980136046.db2.gz QRDAAKUOVLTHBI-UHFFFAOYSA-N -1 0 319.307 3.912 20 0 DHADRM CCc1cccc2c1N(C(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000581230735 1014632661 /nfs/dbraw/zinc/63/26/61/1014632661.db2.gz UTERWMGPBAPCJZ-UHFFFAOYSA-N -1 0 319.763 3.950 20 0 DHADRM O=C([O-])CCCC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000872917367 980160873 /nfs/dbraw/zinc/16/08/73/980160873.db2.gz HFRKXDVZFHGJEW-UHFFFAOYSA-N -1 0 323.392 3.710 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)CC[C@H]2CCc3ccccc32)cc1 ZINC000887325484 980216034 /nfs/dbraw/zinc/21/60/34/980216034.db2.gz RBIPTIPYTQHXDP-MRXNPFEDSA-N -1 0 323.392 3.762 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(CC(=O)[O-])cc1)CC(F)(F)F ZINC000887325705 980216861 /nfs/dbraw/zinc/21/68/61/980216861.db2.gz XZLOBXQUZRBLAO-UHFFFAOYSA-N -1 0 317.307 3.621 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@H]1CC1(C)C ZINC001595252947 980225310 /nfs/dbraw/zinc/22/53/10/980225310.db2.gz SJZFTPKLPPDVGQ-OLZOCXBDSA-N -1 0 304.390 3.639 20 0 DHADRM CCc1[nH]nc(Cl)c1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000900036721 980239078 /nfs/dbraw/zinc/23/90/78/980239078.db2.gz BOJRYRCPEFUIEF-SNVBAGLBSA-N -1 0 321.808 3.501 20 0 DHADRM Cc1nnc([N-]c2cc(F)cc(F)c2OCc2ccccc2)o1 ZINC001211510682 1014641376 /nfs/dbraw/zinc/64/13/76/1014641376.db2.gz WFXAYFYUMNILRH-UHFFFAOYSA-N -1 0 317.295 3.979 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NCc3cnc(C4CC4)s3)ccc12 ZINC000901537771 980365463 /nfs/dbraw/zinc/36/54/63/980365463.db2.gz CBXZBFCSDLYLEJ-UHFFFAOYSA-N -1 0 313.382 3.812 20 0 DHADRM CCOC1CCC(Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC000901540548 980368387 /nfs/dbraw/zinc/36/83/87/980368387.db2.gz OSCPQCOWKQXILM-UHFFFAOYSA-N -1 0 302.374 3.626 20 0 DHADRM CN(C)c1ccc(F)cc1CNc1cccc(CCC(=O)[O-])c1 ZINC000901555286 980380571 /nfs/dbraw/zinc/38/05/71/980380571.db2.gz RVHYJHFOMMYQEI-UHFFFAOYSA-N -1 0 316.376 3.521 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1N[C@@H]1CCCC12CCOCC2 ZINC000901719290 980463009 /nfs/dbraw/zinc/46/30/09/980463009.db2.gz BFBQUNZTOMEHMI-MRXNPFEDSA-N -1 0 303.402 3.763 20 0 DHADRM Cc1ccc(NCc2ccc(N(C)C(C)C)nc2)cc1C(=O)[O-] ZINC000901718477 980463316 /nfs/dbraw/zinc/46/33/16/980463316.db2.gz SANISMXNIFJWGP-UHFFFAOYSA-N -1 0 313.401 3.545 20 0 DHADRM C[C@@H](Cc1ccc(NC2CC(OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000901733246 980469967 /nfs/dbraw/zinc/46/99/67/980469967.db2.gz KYAQAVPERVQCTJ-JQRITLKVSA-N -1 0 305.418 3.708 20 0 DHADRM CO[C@H]1C[C@H]2C[C@H](Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)C[C@H]2C1 ZINC000901737086 980471292 /nfs/dbraw/zinc/47/12/92/980471292.db2.gz XVNXIYDHLKMCRK-DNBIXMRYSA-N -1 0 317.429 3.565 20 0 DHADRM CC[C@@H](Nc1cc(CCOC)ccn1)c1ccc(C(=O)[O-])cc1 ZINC001595316860 980487045 /nfs/dbraw/zinc/48/70/45/980487045.db2.gz JHUNWMYEKYHREX-MRXNPFEDSA-N -1 0 314.385 3.532 20 0 DHADRM CC[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)C1CCCC1 ZINC001595318071 980498298 /nfs/dbraw/zinc/49/82/98/980498298.db2.gz GSCXSLAZLVFTGH-HNNXBMFYSA-N -1 0 301.390 3.502 20 0 DHADRM CC[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001595318350 980500051 /nfs/dbraw/zinc/50/00/51/980500051.db2.gz JQQDVDKBECVWTO-ZDUSSCGKSA-N -1 0 306.749 3.802 20 0 DHADRM CC[C@H](Nc1cnc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595322907 980517373 /nfs/dbraw/zinc/51/73/73/980517373.db2.gz NVKGVGGMWQIMFN-HNNXBMFYSA-N -1 0 307.353 3.891 20 0 DHADRM CC[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595343760 980625589 /nfs/dbraw/zinc/62/55/89/980625589.db2.gz FEDWSVZAINYRDG-ILXRZTDVSA-N -1 0 304.386 3.699 20 0 DHADRM Cc1cc(CN[C@H](CCc2ccccc2)C(F)F)oc1C(=O)[O-] ZINC000901938871 980641206 /nfs/dbraw/zinc/64/12/06/980641206.db2.gz QEEYBYRCYPVWCB-CQSZACIVSA-N -1 0 323.339 3.642 20 0 DHADRM CCO[C@@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C12CCC2 ZINC000901946819 980644304 /nfs/dbraw/zinc/64/43/04/980644304.db2.gz VRGSMJNYEYVHDP-VVLHAWIVSA-N -1 0 315.413 3.634 20 0 DHADRM CC[C@@H](OC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001595349145 980651850 /nfs/dbraw/zinc/65/18/50/980651850.db2.gz RFJRXTMLWMHMFL-SECBINFHSA-N -1 0 323.197 3.735 20 0 DHADRM CC[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)[C@@H](C)C(=O)[O-] ZINC001595352131 980665054 /nfs/dbraw/zinc/66/50/54/980665054.db2.gz SLCZPETXCSRFRS-YMTOWFKASA-N -1 0 321.760 3.544 20 0 DHADRM CC[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001595352739 980672468 /nfs/dbraw/zinc/67/24/68/980672468.db2.gz GCCQQJFJNGOMQZ-ZDUSSCGKSA-N -1 0 320.366 3.592 20 0 DHADRM CC[C@@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595354059 980688203 /nfs/dbraw/zinc/68/82/03/980688203.db2.gz ZIMGHFXEXCDJHN-CQSZACIVSA-N -1 0 319.744 3.741 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000902073094 980721193 /nfs/dbraw/zinc/72/11/93/980721193.db2.gz WOKVIVMWOXLVQL-CYBMUJFWSA-N -1 0 318.417 3.505 20 0 DHADRM CCOc1ccccc1[C@@H](CC)NCc1cc(C(=O)[O-])co1 ZINC000902119446 980744018 /nfs/dbraw/zinc/74/40/18/980744018.db2.gz TZUWKFRVULEJPE-OAHLLOKOSA-N -1 0 303.358 3.617 20 0 DHADRM CC[C@@H](c1ccc(Cl)cc1)n1cc(CC(C)(C)C(=O)[O-])nn1 ZINC001595359757 980744382 /nfs/dbraw/zinc/74/43/82/980744382.db2.gz JORDIMBMRHPGAV-AWEZNQCLSA-N -1 0 321.808 3.584 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CCCC1(C)C ZINC001595361396 980761920 /nfs/dbraw/zinc/76/19/20/980761920.db2.gz HHTAXDJOXHMLIW-JKSUJKDBSA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)OC1CCCC1 ZINC001595361591 980763102 /nfs/dbraw/zinc/76/31/02/980763102.db2.gz JZLNANKQDIIVBC-HNNXBMFYSA-N -1 0 305.374 3.604 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N(C)C1CCCC1 ZINC001595361799 980764895 /nfs/dbraw/zinc/76/48/95/980764895.db2.gz PDQAUQGTTDWPEM-MRXNPFEDSA-N -1 0 318.417 3.519 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1=CCCCC1 ZINC001595361810 980765897 /nfs/dbraw/zinc/76/58/97/980765897.db2.gz PHGXKNJCNMNPHD-KRWDZBQOSA-N -1 0 315.413 3.941 20 0 DHADRM CCc1oc(CN[C@@H](CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902228256 980792193 /nfs/dbraw/zinc/79/21/93/980792193.db2.gz JHAXVGWUKWXQNK-LBPRGKRZSA-N -1 0 308.403 3.546 20 0 DHADRM CCC1(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCCC1 ZINC001595368578 980828336 /nfs/dbraw/zinc/82/83/36/980828336.db2.gz GNEJDNIFJBIHFT-UHFFFAOYSA-N -1 0 304.386 3.925 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001595368748 980830493 /nfs/dbraw/zinc/83/04/93/980830493.db2.gz JFYNRPDNVMSKCD-KRWDZBQOSA-N -1 0 304.390 3.737 20 0 DHADRM CCOc1cc(Cl)ccc1CNCc1cc(C(=O)[O-])oc1C ZINC000902339324 980839102 /nfs/dbraw/zinc/83/91/02/980839102.db2.gz CTDHSGLIGZXZRF-UHFFFAOYSA-N -1 0 323.776 3.628 20 0 DHADRM O=C(Nc1cccc(O)c1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000128677064 1014687199 /nfs/dbraw/zinc/68/71/99/1014687199.db2.gz OGDNYXVQOYLASR-GXSJLCMTSA-N -1 0 307.271 3.552 20 0 DHADRM CCC1(CC)CCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001595374685 980887209 /nfs/dbraw/zinc/88/72/09/980887209.db2.gz OMRNOQXCIQGWIZ-UHFFFAOYSA-N -1 0 322.380 3.958 20 0 DHADRM CCc1oc(CN([C@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000902514641 980916364 /nfs/dbraw/zinc/91/63/64/980916364.db2.gz IHQTZLLRVTWWKS-LLVKDONJSA-N -1 0 303.358 3.859 20 0 DHADRM CCC1=C(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCCO1 ZINC001595402054 980977707 /nfs/dbraw/zinc/97/77/07/980977707.db2.gz RXSSUANZIAETDJ-UHFFFAOYSA-N -1 0 324.760 3.556 20 0 DHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595404537 980982253 /nfs/dbraw/zinc/98/22/53/980982253.db2.gz IQVSONIYXIKLKN-GZMMTYOYSA-N -1 0 310.419 3.715 20 0 DHADRM CC[C@H]1C[C@H](CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCO1 ZINC001595412055 981008944 /nfs/dbraw/zinc/00/89/44/981008944.db2.gz AJUBDUVLEBFSFH-ZENOOKHLSA-N -1 0 320.385 3.584 20 0 DHADRM CCC1CCC(N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2CC2)CC1 ZINC001595420389 981035102 /nfs/dbraw/zinc/03/51/02/981035102.db2.gz ITSSUFKMOTYGFC-YQEWQEHLSA-N -1 0 321.461 3.837 20 0 DHADRM CCC1CCC(N(C)C(=O)Nc2cc(C)c(C(=O)[O-])cn2)CC1 ZINC001595420709 981038011 /nfs/dbraw/zinc/03/80/11/981038011.db2.gz XJBKAISRGZSUOC-UHFFFAOYSA-N -1 0 319.405 3.521 20 0 DHADRM CCc1ncsc1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215696399 1014702621 /nfs/dbraw/zinc/70/26/21/1014702621.db2.gz ZENMAFPWSOKGBV-UHFFFAOYSA-N -1 0 300.742 3.940 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595434924 981060789 /nfs/dbraw/zinc/06/07/89/981060789.db2.gz CKLBCSLIBYMQOE-RDTXWAMCSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435196 981063288 /nfs/dbraw/zinc/06/32/88/981063288.db2.gz HUSRANRIPUTFHM-BMFZPTHFSA-N -1 0 317.429 3.781 20 0 DHADRM CC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435517 981065102 /nfs/dbraw/zinc/06/51/02/981065102.db2.gz KTTALOWAJIROPG-HOTGVXAUSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595439071 981074416 /nfs/dbraw/zinc/07/44/16/981074416.db2.gz BUGGJVJRXWSAAT-AAEUAGOBSA-N -1 0 323.820 3.984 20 0 DHADRM CC[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595439643 981074743 /nfs/dbraw/zinc/07/47/43/981074743.db2.gz FJDYRXNNRZVIHI-KCJUWKMLSA-N -1 0 302.296 3.789 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595442334 981082344 /nfs/dbraw/zinc/08/23/44/981082344.db2.gz ZBOJOQMUTMHBQB-SIXWZSSISA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595443949 981084772 /nfs/dbraw/zinc/08/47/72/981084772.db2.gz FYADMTZVJBWECZ-GHMZBOCLSA-N -1 0 310.419 3.845 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001595444290 981087725 /nfs/dbraw/zinc/08/77/25/981087725.db2.gz MJSPWLWLIFLUCR-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595445397 981092779 /nfs/dbraw/zinc/09/27/79/981092779.db2.gz ZJYUHXIJOBBFNS-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM Cc1ccc([C@H](NCc2ncc(C(C)(C)C)o2)C(=O)[O-])cc1C ZINC000905380120 981102014 /nfs/dbraw/zinc/10/20/14/981102014.db2.gz KAABJRPSMFDIFD-INIZCTEOSA-N -1 0 316.401 3.504 20 0 DHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595452242 981113457 /nfs/dbraw/zinc/11/34/57/981113457.db2.gz HEWYWAQLARQVBT-STQMWFEESA-N -1 0 304.390 3.641 20 0 DHADRM Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1Cl ZINC000581323356 1014707671 /nfs/dbraw/zinc/70/76/71/1014707671.db2.gz DSFXKUFXUSOJJW-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000907585487 981196944 /nfs/dbraw/zinc/19/69/44/981196944.db2.gz RJZFWTBTUHKQND-SFHVURJKSA-N -1 0 323.392 3.645 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000907718101 981210422 /nfs/dbraw/zinc/21/04/22/981210422.db2.gz HGBQXLYDHJYRDU-UHFFFAOYSA-N -1 0 303.402 3.689 20 0 DHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCC=CCCC3)(CC1)CC2 ZINC000908122113 981266530 /nfs/dbraw/zinc/26/65/30/981266530.db2.gz LEDWUZAWQDRBQT-MNNVXMFVSA-N -1 0 319.445 3.664 20 0 DHADRM CC[C@H]1Cc2ccccc2CN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595500094 981269839 /nfs/dbraw/zinc/26/98/39/981269839.db2.gz UQUQFOSXOZBTCV-RISCZKNCSA-N -1 0 316.426 3.739 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000909487815 1014721284 /nfs/dbraw/zinc/72/12/84/1014721284.db2.gz MLPDQIHDJITNTL-ZDUSSCGKSA-N -1 0 311.381 3.503 20 0 DHADRM CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408633 981313166 /nfs/dbraw/zinc/31/31/66/981313166.db2.gz PUARVZDXJUUARE-LBPRGKRZSA-N -1 0 317.307 3.528 20 0 DHADRM CC/C=C/CCN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595514377 981313442 /nfs/dbraw/zinc/31/34/42/981313442.db2.gz JWTRUPIWJUWMCK-OOPCZODUSA-N -1 0 301.308 3.934 20 0 DHADRM O=C([O-])CC1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000908677041 981337459 /nfs/dbraw/zinc/33/74/59/981337459.db2.gz BELKNVKWCRDSRU-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM CC(C)(CC(=O)N1CCC(CC(=O)[O-])CC1)C1CCCCC1 ZINC000908674465 981337796 /nfs/dbraw/zinc/33/77/96/981337796.db2.gz GBSVSUOYBPMZEI-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908686992 981339722 /nfs/dbraw/zinc/33/97/22/981339722.db2.gz AYHHREPFGNBFOJ-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM CCCC(=CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)CCC ZINC001595522036 981343849 /nfs/dbraw/zinc/34/38/49/981343849.db2.gz JORIBNSAQYFSAM-SJORKVTESA-N -1 0 315.413 3.942 20 0 DHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595536015 981379362 /nfs/dbraw/zinc/37/93/62/981379362.db2.gz MBURYVFVGMWFJG-HUUCEWRRSA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000908902780 981386678 /nfs/dbraw/zinc/38/66/78/981386678.db2.gz YJKKHOWQELSOQT-KBPBESRZSA-N -1 0 317.385 3.547 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(C)C ZINC001595537554 981387491 /nfs/dbraw/zinc/38/74/91/981387491.db2.gz MGIAAQZJWXFOFM-BBRMVZONSA-N -1 0 305.418 3.961 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)CC(F)F ZINC000909107847 981418165 /nfs/dbraw/zinc/41/81/65/981418165.db2.gz NZKWXIIURBUING-UHFFFAOYSA-N -1 0 303.280 3.534 20 0 DHADRM CC[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)C1CCC(C)CC1 ZINC000909156088 981428370 /nfs/dbraw/zinc/42/83/70/981428370.db2.gz FBHZVSWLJCRTOS-AXJCJWBSSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000262165194 1014733783 /nfs/dbraw/zinc/73/37/83/1014733783.db2.gz OAQAMAQUUPDNBT-CYBMUJFWSA-N -1 0 321.442 3.586 20 0 DHADRM C/C=C(/CC)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224990 981437204 /nfs/dbraw/zinc/43/72/04/981437204.db2.gz XSEPBKYJXGWANM-DXNYSGJVSA-N -1 0 307.415 3.689 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000909288892 981461000 /nfs/dbraw/zinc/46/10/00/981461000.db2.gz XXMCSASWMWNMEQ-CYBMUJFWSA-N -1 0 301.386 3.734 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909362195 981472753 /nfs/dbraw/zinc/47/27/53/981472753.db2.gz TYLSNEYXWATQRM-BMSUMIBZSA-N -1 0 309.793 3.718 20 0 DHADRM CCC[C@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001595571433 981478895 /nfs/dbraw/zinc/47/88/95/981478895.db2.gz JEYNNRKXELHYGG-VIFPVBQESA-N -1 0 310.419 3.874 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595571584 981480585 /nfs/dbraw/zinc/48/05/85/981480585.db2.gz KVKJYUJXARJBCA-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@H](C)N(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001595579154 981505403 /nfs/dbraw/zinc/50/54/03/981505403.db2.gz SRBJLYXWCWXILD-RYUDHWBXSA-N -1 0 309.431 3.512 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001595579152 981505637 /nfs/dbraw/zinc/50/56/37/981505637.db2.gz SRBJLYXWCWXILD-NEPJUHHUSA-N -1 0 309.431 3.512 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595579971 981512493 /nfs/dbraw/zinc/51/24/93/981512493.db2.gz WGSCTCWXRKMSKH-OAHLLOKOSA-N -1 0 317.429 3.732 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000909506238 981514805 /nfs/dbraw/zinc/51/48/05/981514805.db2.gz WRGRIXQNRRPQJC-ZWKOTPCHSA-N -1 0 323.392 3.836 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000909512186 981519641 /nfs/dbraw/zinc/51/96/41/981519641.db2.gz CDYRXNATHVALJO-UHFFFAOYSA-N -1 0 312.369 3.772 20 0 DHADRM CCC[C@@H](C)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595581222 981523238 /nfs/dbraw/zinc/52/32/38/981523238.db2.gz VCIGCKGMLROBEV-SECBINFHSA-N -1 0 306.387 3.910 20 0 DHADRM CCC[C@@H](CC)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595585794 981526634 /nfs/dbraw/zinc/52/66/34/981526634.db2.gz DGVFSGMRGBXMMI-CHOZFAJLSA-N -1 0 306.358 3.525 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595587303 981540402 /nfs/dbraw/zinc/54/04/02/981540402.db2.gz IIMRHWCXIOXNJI-OAHLLOKOSA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595587473 981542462 /nfs/dbraw/zinc/54/24/62/981542462.db2.gz NTMIMHURGYXCSR-JEWRLFTDSA-N -1 0 321.461 3.743 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001594740678 981604797 /nfs/dbraw/zinc/60/47/97/981604797.db2.gz DZBILUZSEKRQGD-WCBMZHEXSA-N -1 0 318.200 3.624 20 0 DHADRM CC[C@@H](C(=O)Nc1sccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594741404 981611443 /nfs/dbraw/zinc/61/14/43/981611443.db2.gz OPKYKODHFLBLEL-GFCCVEGCSA-N -1 0 319.382 3.587 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001594742502 981617999 /nfs/dbraw/zinc/61/79/99/981617999.db2.gz CVCMQYKFPLJCTH-YGECKUKRSA-N -1 0 315.413 3.582 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC001594743097 981620751 /nfs/dbraw/zinc/62/07/51/981620751.db2.gz KJGLTZWYQACVSO-CVEARBPZSA-N -1 0 303.402 3.550 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001594746686 981634513 /nfs/dbraw/zinc/63/45/13/981634513.db2.gz ABXOWHHJKQATDF-DLBZAZTESA-N -1 0 319.445 3.809 20 0 DHADRM CCCC1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCC1 ZINC001595616516 981645015 /nfs/dbraw/zinc/64/50/15/981645015.db2.gz YZKXZEFPHDWEDS-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909832403 981649753 /nfs/dbraw/zinc/64/97/53/981649753.db2.gz SOGXEYAGGLONAV-UONOGXRCSA-N -1 0 311.381 3.925 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595619598 981679413 /nfs/dbraw/zinc/67/94/13/981679413.db2.gz JMSAZBWXSIIZFG-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001594758025 981682732 /nfs/dbraw/zinc/68/27/32/981682732.db2.gz VJKZLKCVUFSVDY-ZDUSSCGKSA-N -1 0 317.316 3.667 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595620016 981683837 /nfs/dbraw/zinc/68/38/37/981683837.db2.gz UHJCVQJWPDGCPM-IAQYHMDHSA-N -1 0 319.405 3.521 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC001594759771 981689038 /nfs/dbraw/zinc/68/90/38/981689038.db2.gz QTMIUECTEGEABH-NSHDSACASA-N -1 0 317.307 3.576 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595621018 981695067 /nfs/dbraw/zinc/69/50/67/981695067.db2.gz ADRHNQSVFCRKFP-STQMWFEESA-N -1 0 319.405 3.508 20 0 DHADRM CCCC1CCC(N(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)C)CC1 ZINC001595620963 981695088 /nfs/dbraw/zinc/69/50/88/981695088.db2.gz YRGSJLXCENNCJL-SSHXOBKSSA-N -1 0 309.450 3.693 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595621541 981701164 /nfs/dbraw/zinc/70/11/64/981701164.db2.gz KEYMHPSFSNUUSI-QWHCGFSZSA-N -1 0 319.405 3.508 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595621971 981705099 /nfs/dbraw/zinc/70/50/99/981705099.db2.gz QTUAQXRVDUCUEW-TXCZRRACSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@H]1CC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@H](C)C1 ZINC000909943893 981705447 /nfs/dbraw/zinc/70/54/47/981705447.db2.gz RSRCGVUZBROUQI-CXTCDGGRSA-N -1 0 321.461 3.600 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595622112 981706778 /nfs/dbraw/zinc/70/67/78/981706778.db2.gz QVHMCMSAFDTTRR-TZMCWYRMSA-N -1 0 319.401 3.938 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595622167 981707554 /nfs/dbraw/zinc/70/75/54/981707554.db2.gz RSQRVIZTVXVWSP-WBVHZDCISA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(C)cs1)c1ccccc1 ZINC001594767938 981727159 /nfs/dbraw/zinc/72/71/59/981727159.db2.gz MSVYRBCZGZNXRL-CYBMUJFWSA-N -1 0 303.383 3.567 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC001594768372 981730072 /nfs/dbraw/zinc/73/00/72/981730072.db2.gz XCKLQNXGWDDUDB-SQWLQELKSA-N -1 0 303.402 3.709 20 0 DHADRM CCCC(=CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)CCC ZINC000910151761 981766878 /nfs/dbraw/zinc/76/68/78/981766878.db2.gz FPAYKELMQDFUSU-JTQLQIEISA-N -1 0 310.419 3.545 20 0 DHADRM CCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001595627664 981775069 /nfs/dbraw/zinc/77/50/69/981775069.db2.gz OTDZSLCAGYJJEI-GFCCVEGCSA-N -1 0 304.264 3.565 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595630390 981819117 /nfs/dbraw/zinc/81/91/17/981819117.db2.gz DUWBOLJSSPPVHW-HNNXBMFYSA-N -1 0 313.394 3.964 20 0 DHADRM COCCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910248056 981819801 /nfs/dbraw/zinc/81/98/01/981819801.db2.gz QSZQEZIFVPEZAI-GFCCVEGCSA-N -1 0 315.369 3.539 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(Cc1ncc(C(C)(C)C)s1)CC1CC1 ZINC001594791356 981848710 /nfs/dbraw/zinc/84/87/10/981848710.db2.gz JQVOQXARVJEXAG-QGZVFWFLSA-N -1 0 324.490 3.906 20 0 DHADRM CCCC[C@@H](CC)COC(=O)CS[C@@H](C(=O)[O-])C(C)(C)C ZINC001595632402 981854043 /nfs/dbraw/zinc/85/40/43/981854043.db2.gz GMGQGBLGAHLKGB-OCCSQVGLSA-N -1 0 318.479 3.979 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001595632847 981860853 /nfs/dbraw/zinc/86/08/53/981860853.db2.gz TUVCODVCNKMQMF-LLVKDONJSA-N -1 0 323.389 3.644 20 0 DHADRM CCCC[C@H](CC)CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595632844 981861257 /nfs/dbraw/zinc/86/12/57/981861257.db2.gz SWIQRJWYBPLTSA-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CCC(C)(C)C1CCC(Nc2ncnc(C(=O)[O-])c2OC)CC1 ZINC001594796556 981877422 /nfs/dbraw/zinc/87/74/22/981877422.db2.gz DIQAPYUUZUBYTQ-UHFFFAOYSA-N -1 0 321.421 3.590 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)NOCCCC(=O)[O-])CC1 ZINC001594797293 981886071 /nfs/dbraw/zinc/88/60/71/981886071.db2.gz XMVKEXKMWWIEOY-UHFFFAOYSA-N -1 0 313.438 3.532 20 0 DHADRM COCCC[C@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910360116 981890863 /nfs/dbraw/zinc/89/08/63/981890863.db2.gz WPGTYKOAFYLBRV-LBPRGKRZSA-N -1 0 315.369 3.539 20 0 DHADRM CCC(C)(C)CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594801084 981893860 /nfs/dbraw/zinc/89/38/60/981893860.db2.gz AASHPGIOLNBZLH-UHFFFAOYSA-N -1 0 324.446 3.562 20 0 DHADRM CCCC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634929 981895697 /nfs/dbraw/zinc/89/56/97/981895697.db2.gz QNISYWGHTQFTRQ-ISBHARSQSA-N -1 0 317.429 3.757 20 0 DHADRM CCC(C)(C)CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594801189 981895892 /nfs/dbraw/zinc/89/58/92/981895892.db2.gz GJGPAVVNYOUDQF-UHFFFAOYSA-N -1 0 310.419 3.664 20 0 DHADRM CCCC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C1CCC1 ZINC001595635029 981898130 /nfs/dbraw/zinc/89/81/30/981898130.db2.gz SPRDGMLDAPVJFH-HNNXBMFYSA-N -1 0 309.450 3.887 20 0 DHADRM CCCC[C@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001595636641 981920852 /nfs/dbraw/zinc/92/08/52/981920852.db2.gz HGJCJDBSMICPND-LBPRGKRZSA-N -1 0 305.399 3.583 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001594815636 981944329 /nfs/dbraw/zinc/94/43/29/981944329.db2.gz HIINWBSVQCPEHF-UHFFFAOYSA-N -1 0 320.433 3.997 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC001594815810 981946301 /nfs/dbraw/zinc/94/63/01/981946301.db2.gz PJICARVWBOXMSH-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC001594817683 981957696 /nfs/dbraw/zinc/95/76/96/981957696.db2.gz STJZPEAHCVDGGE-XPKAQORNSA-N -1 0 309.450 3.909 20 0 DHADRM CCCC[C@H](Nc1cc(NC(=O)C(C)C)ccc1C)C(=O)[O-] ZINC001595642328 981972291 /nfs/dbraw/zinc/97/22/91/981972291.db2.gz OLDGDGHNXMWJLI-AWEZNQCLSA-N -1 0 306.406 3.645 20 0 DHADRM CCCCN(C(=O)CCSCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000910536342 981986603 /nfs/dbraw/zinc/98/66/03/981986603.db2.gz OWSMIACPYJAMHQ-AWEZNQCLSA-N -1 0 323.458 3.584 20 0 DHADRM CCCC[C@H](Nc1cncc(C(=O)[O-])n1)c1ccc(OC)cc1 ZINC001595646709 982001416 /nfs/dbraw/zinc/00/14/16/982001416.db2.gz UCTZAYJIXJHBTL-AWEZNQCLSA-N -1 0 315.373 3.527 20 0 DHADRM CCCC[C@H](S[C@H](C)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC001595651509 982022152 /nfs/dbraw/zinc/02/21/52/982022152.db2.gz HAULEAZLLZHCAV-SKDRFNHKSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001595652720 982036383 /nfs/dbraw/zinc/03/63/83/982036383.db2.gz WPOGAHKYHPCURL-CYBMUJFWSA-N -1 0 309.362 3.523 20 0 DHADRM CCCC[C@H](SCC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-] ZINC001595654442 982040507 /nfs/dbraw/zinc/04/05/07/982040507.db2.gz CEHVIVKKJKUAKR-AWEZNQCLSA-N -1 0 309.431 3.619 20 0 DHADRM CCCCC1(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)CC1 ZINC001595656661 982054935 /nfs/dbraw/zinc/05/49/35/982054935.db2.gz CKXNDNVDPQMLIO-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC[C@](C)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001594841580 982056261 /nfs/dbraw/zinc/05/62/61/982056261.db2.gz BUGCVIGYGCZZHF-SFHVURJKSA-N -1 0 311.337 3.569 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000317534725 1014795474 /nfs/dbraw/zinc/79/54/74/1014795474.db2.gz JSUHGKQSRLBHJS-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)c1 ZINC000910697189 982067753 /nfs/dbraw/zinc/06/77/53/982067753.db2.gz OBZCHYVWBYRAQY-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCCC[C@H](SCc1nc(CCC(C)C)no1)C(=O)[O-] ZINC001595658012 982068238 /nfs/dbraw/zinc/06/82/38/982068238.db2.gz YVCDTYZJVFJPGD-NSHDSACASA-N -1 0 300.424 3.535 20 0 DHADRM Cc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910697942 982068927 /nfs/dbraw/zinc/06/89/27/982068927.db2.gz ZZOLTPTZXXWILL-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595660624 982072223 /nfs/dbraw/zinc/07/22/23/982072223.db2.gz KRUSWAIUKPHWDY-TZMCWYRMSA-N -1 0 320.433 3.672 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595660922 982073899 /nfs/dbraw/zinc/07/38/99/982073899.db2.gz OSZWMNVRVFLOPU-XJKSGUPXSA-N -1 0 303.402 3.782 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595660905 982073912 /nfs/dbraw/zinc/07/39/12/982073912.db2.gz OGGIGZMQJXJXLA-XJKSGUPXSA-N -1 0 303.402 3.782 20 0 DHADRM CCCCC[C@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C(C)C ZINC001595662367 982078650 /nfs/dbraw/zinc/07/86/50/982078650.db2.gz BEZBLLVVHQQZPB-DAYGRLMNSA-N -1 0 309.450 3.695 20 0 DHADRM CCCCCC(C)(C)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595662382 982079343 /nfs/dbraw/zinc/07/93/43/982079343.db2.gz BOYCMNHVGFGKLQ-UHFFFAOYSA-N -1 0 306.406 3.942 20 0 DHADRM CCCCC[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)C(C)C ZINC001595662647 982079950 /nfs/dbraw/zinc/07/99/50/982079950.db2.gz HVVJVTDFBJHBQR-KRWDZBQOSA-N -1 0 319.445 3.896 20 0 DHADRM CCCCCC(C)(C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001595662790 982080832 /nfs/dbraw/zinc/08/08/32/982080832.db2.gz LIEHZBRUCOQSJA-LJQANCHMSA-N -1 0 319.445 3.752 20 0 DHADRM CCCCC[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)C(C)C ZINC001595662744 982080952 /nfs/dbraw/zinc/08/09/52/982080952.db2.gz KBWIZNIHUNELDS-HNNXBMFYSA-N -1 0 323.408 3.993 20 0 DHADRM CCCCCC(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595662774 982080959 /nfs/dbraw/zinc/08/09/59/982080959.db2.gz KXEOAAXRXMEVGG-UHFFFAOYSA-N -1 0 317.429 3.876 20 0 DHADRM CCC(CC)CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910727266 982091055 /nfs/dbraw/zinc/09/10/55/982091055.db2.gz NJJOQKQLDPCZEX-LBPRGKRZSA-N -1 0 324.446 3.640 20 0 DHADRM C[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccsc1 ZINC000910732764 982094409 /nfs/dbraw/zinc/09/44/09/982094409.db2.gz MJRSOMGISQEHIW-ZETCQYMHSA-N -1 0 322.411 3.522 20 0 DHADRM CC[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)C(C)C ZINC000910733765 982095034 /nfs/dbraw/zinc/09/50/34/982095034.db2.gz RQWMRIRMEHBRJZ-SECBINFHSA-N -1 0 310.419 3.730 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595666175 982096801 /nfs/dbraw/zinc/09/68/01/982096801.db2.gz DQZCFSJQHRLDPO-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001595668577 982111061 /nfs/dbraw/zinc/11/10/61/982111061.db2.gz BNCQUEMYSKBRSH-QDIHITRGSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001595669996 982116114 /nfs/dbraw/zinc/11/61/14/982116114.db2.gz LMTHSZLZOOIERO-WMLDXEAASA-N -1 0 317.429 3.804 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001595672161 982130371 /nfs/dbraw/zinc/13/03/71/982130371.db2.gz MFDVDDOBMRHOHR-DLBZAZTESA-N -1 0 319.445 3.966 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C ZINC001595676104 982146217 /nfs/dbraw/zinc/14/62/17/982146217.db2.gz ICDXNWKFIHWLPA-RBSFLKMASA-N -1 0 311.466 3.989 20 0 DHADRM CC/C(C)=C(\C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594862158 982153004 /nfs/dbraw/zinc/15/30/04/982153004.db2.gz SRIFIUKQXHPLDV-VAWYXSNFSA-N -1 0 305.374 3.857 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001595680854 982157256 /nfs/dbraw/zinc/15/72/56/982157256.db2.gz HFXSBLPRFIRNFB-LLVKDONJSA-N -1 0 311.447 3.809 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cccc2c1CCCCC2)C(=O)[O-] ZINC001595680821 982157389 /nfs/dbraw/zinc/15/73/89/982157389.db2.gz GQUYCWKNDXSMLS-QGZVFWFLSA-N -1 0 317.429 3.719 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001594872774 982189585 /nfs/dbraw/zinc/18/95/85/982189585.db2.gz FQHPNCVHBKSGJQ-YPMHNXCESA-N -1 0 303.402 3.655 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595694435 982211708 /nfs/dbraw/zinc/21/17/08/982211708.db2.gz AGCXIKJTDJLGIQ-ZDUSSCGKSA-N -1 0 303.402 3.880 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595694881 982215028 /nfs/dbraw/zinc/21/50/28/982215028.db2.gz JYTDILKYUODIEM-LLVKDONJSA-N -1 0 306.406 3.942 20 0 DHADRM CCCCCC[C@H]1CCC[C@H]1Nc1cnn(CC(=O)[O-])c1C ZINC001595703525 982269643 /nfs/dbraw/zinc/26/96/43/982269643.db2.gz UGIZUFPXNQCKEI-LSDHHAIUSA-N -1 0 307.438 3.827 20 0 DHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)[C@@H](C)CC(=O)[O-] ZINC001595709202 982291092 /nfs/dbraw/zinc/29/10/92/982291092.db2.gz VQKYAFXPHRERGQ-ZDUSSCGKSA-N -1 0 309.406 3.608 20 0 DHADRM CCCCCN(CCCCC)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595715825 982316641 /nfs/dbraw/zinc/31/66/41/982316641.db2.gz HHFMDWBEYOMLGX-VKJFTORMSA-N -1 0 324.465 3.632 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1csc(C(=O)[O-])n1 ZINC001595715870 982317596 /nfs/dbraw/zinc/31/75/96/982317596.db2.gz JPPBCAIOIKOHGO-UHFFFAOYSA-N -1 0 312.435 3.664 20 0 DHADRM CCCCN(C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)[C@@H](C)CC ZINC001595731931 982365161 /nfs/dbraw/zinc/36/51/61/982365161.db2.gz KZVVZEOUZJGLEO-NSHDSACASA-N -1 0 308.422 3.625 20 0 DHADRM CCCCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1cccnc1 ZINC001595732422 982369905 /nfs/dbraw/zinc/36/99/05/982369905.db2.gz ZBUJREGELWDVCC-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM CCCCN(C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595734041 982372342 /nfs/dbraw/zinc/37/23/42/982372342.db2.gz JDVZASAHHNNPTL-UHFFFAOYSA-N -1 0 306.387 3.863 20 0 DHADRM CCCCN(C(=S)NCCCC(=O)[O-])[C@H](C)c1ccccc1 ZINC001595735597 982379778 /nfs/dbraw/zinc/37/97/78/982379778.db2.gz KRNDVGOAHNZQIA-CQSZACIVSA-N -1 0 322.474 3.589 20 0 DHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC001595735857 982380487 /nfs/dbraw/zinc/38/04/87/982380487.db2.gz OPPDQDZYVJASOH-CJNGLKHVSA-N -1 0 318.417 3.601 20 0 DHADRM CC(C)(CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)CC(F)F ZINC000911386401 982410143 /nfs/dbraw/zinc/41/01/43/982410143.db2.gz DJDYEFVAIQXAEA-UHFFFAOYSA-N -1 0 324.327 3.876 20 0 DHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)CCCCC(=O)[O-] ZINC000911430636 982430881 /nfs/dbraw/zinc/43/08/81/982430881.db2.gz RNDAHKJJMDYEJP-UHFFFAOYSA-N -1 0 312.369 3.641 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911453095 982437868 /nfs/dbraw/zinc/43/78/68/982437868.db2.gz ZOBLBEZSSTXBHN-IUODEOHRSA-N -1 0 323.820 3.895 20 0 DHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000341045637 1014841971 /nfs/dbraw/zinc/84/19/71/1014841971.db2.gz MRRONHWUJWJYBD-PLNGDYQASA-N -1 0 308.428 3.594 20 0 DHADRM CN(Cc1ccsc1)C(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000035718601 1014845959 /nfs/dbraw/zinc/84/59/59/1014845959.db2.gz PRMHKOQVFGUJKR-UHFFFAOYSA-N -1 0 309.431 3.522 20 0 DHADRM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001594928698 982540684 /nfs/dbraw/zinc/54/06/84/982540684.db2.gz LYVDUXHUJYWNEI-BDJLRTHQSA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC001594929066 982545592 /nfs/dbraw/zinc/54/55/92/982545592.db2.gz QMCXDQIXKDMPFO-ZYHUDNBSSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@@H](C)C[C@@H](CC)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594934430 982578636 /nfs/dbraw/zinc/57/86/36/982578636.db2.gz IFUPBAQCJGWRLF-TZMCWYRMSA-N -1 0 303.406 3.748 20 0 DHADRM CC[C@@H](C)CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594934637 982581939 /nfs/dbraw/zinc/58/19/39/982581939.db2.gz NHJUSDHIPKPVII-LLVKDONJSA-N -1 0 317.341 3.519 20 0 DHADRM CC(C)Oc1c(NC(=O)C2CCC=CCC2)cccc1C(=O)[O-] ZINC000911732701 982617020 /nfs/dbraw/zinc/61/70/20/982617020.db2.gz IDBYZDWFMLXAAJ-UHFFFAOYSA-N -1 0 317.385 3.857 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911733516 982617847 /nfs/dbraw/zinc/61/78/47/982617847.db2.gz BJYZPUOPLHUADF-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594943122 982622118 /nfs/dbraw/zinc/62/21/18/982622118.db2.gz UZPZVXRKZSVQMC-BBRMVZONSA-N -1 0 319.445 3.532 20 0 DHADRM CCCCc1noc(CNc2c(C)c(C(=O)[O-])ccc2Cl)n1 ZINC001595803122 982622950 /nfs/dbraw/zinc/62/29/50/982622950.db2.gz SWLVAORVIIDHTD-UHFFFAOYSA-N -1 0 323.780 3.684 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001594945305 982632035 /nfs/dbraw/zinc/63/20/35/982632035.db2.gz BAMVKXHWWXTEQW-GUYCJALGSA-N -1 0 317.429 3.963 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001594945335 982632814 /nfs/dbraw/zinc/63/28/14/982632814.db2.gz BFBBPGBZDWUDDL-IUODEOHRSA-N -1 0 323.458 3.806 20 0 DHADRM CC[C@H](C)CCC(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001594951999 982662641 /nfs/dbraw/zinc/66/26/41/982662641.db2.gz CYPHDYZAUWGLGQ-LBPRGKRZSA-N -1 0 303.402 3.799 20 0 DHADRM CC[C@H](C)CCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594958622 982699401 /nfs/dbraw/zinc/69/94/01/982699401.db2.gz DNSKUOALXNMJGK-JTQLQIEISA-N -1 0 310.419 3.664 20 0 DHADRM CCCN(C(=O)c1cc2cc(C)ccc2s1)[C@H](C)C(=O)[O-] ZINC001595826502 982710900 /nfs/dbraw/zinc/71/09/00/982710900.db2.gz ICDVBSDBAPYETH-LLVKDONJSA-N -1 0 305.399 3.535 20 0 DHADRM CCCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001595828067 982714740 /nfs/dbraw/zinc/71/47/40/982714740.db2.gz ZHLHIWLYQKVGEP-CYBMUJFWSA-N -1 0 301.386 3.579 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)c1ccccc1F ZINC000923089871 982716502 /nfs/dbraw/zinc/71/65/02/982716502.db2.gz JWVCROHZKIRRGG-UHFFFAOYSA-N -1 0 321.373 3.810 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1C ZINC000923091578 982717129 /nfs/dbraw/zinc/71/71/29/982717129.db2.gz DMPFOTXXDRBAHX-SNVBAGLBSA-N -1 0 303.383 3.805 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(C)nc1C1CC1 ZINC000923093438 982718008 /nfs/dbraw/zinc/71/80/08/982718008.db2.gz UEGZGHJQKBIDNN-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM CCCCC1(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000923098935 982723100 /nfs/dbraw/zinc/72/31/00/982723100.db2.gz SXVPDWOYAAAUQK-NSHDSACASA-N -1 0 323.364 3.587 20 0 DHADRM CCCCC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000923102063 982725047 /nfs/dbraw/zinc/72/50/47/982725047.db2.gz IXZIFIUETYYPND-CYBMUJFWSA-N -1 0 301.386 3.562 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001594971038 982739567 /nfs/dbraw/zinc/73/95/67/982739567.db2.gz FTBNMCDJDMUGJL-WLYUNCDWSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@H](c2cc(C)cc(C)c2)C(C(=O)[O-])=C1C ZINC001594985614 982804596 /nfs/dbraw/zinc/80/45/96/982804596.db2.gz WGBSDCVVUUEEBE-BLLLJJGKSA-N -1 0 316.401 3.527 20 0 DHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccs1 ZINC000923212395 982843155 /nfs/dbraw/zinc/84/31/55/982843155.db2.gz XCQYTMXGZLUYBH-LBPRGKRZSA-N -1 0 309.431 3.536 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)c1ccsc1CC(=O)[O-] ZINC001595870827 982857964 /nfs/dbraw/zinc/85/79/64/982857964.db2.gz YKUSLITVSLCXPT-UHFFFAOYSA-N -1 0 323.458 3.808 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001116479164 982930293 /nfs/dbraw/zinc/93/02/93/982930293.db2.gz LOHZMYRQBHTTPZ-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC001595009300 982933660 /nfs/dbraw/zinc/93/36/60/982933660.db2.gz VMMHPDNQWAISKN-LVSLPLRBSA-N -1 0 303.402 3.775 20 0 DHADRM CN(C(=O)CCCCCc1cccs1)C(C)(C)CC(=O)[O-] ZINC001118808435 982963415 /nfs/dbraw/zinc/96/34/15/982963415.db2.gz SVCQHZIAIWPNEK-UHFFFAOYSA-N -1 0 311.447 3.563 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001118972946 982971122 /nfs/dbraw/zinc/97/11/22/982971122.db2.gz NOCSAOMFKHPNNT-CQSZACIVSA-N -1 0 317.410 3.619 20 0 DHADRM CCCC[C@@H](CC)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689398 1014902686 /nfs/dbraw/zinc/90/26/86/1014902686.db2.gz SCKAOPWSSUXYPJ-GFCCVEGCSA-N -1 0 303.431 3.782 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC001595960188 983149919 /nfs/dbraw/zinc/14/99/19/983149919.db2.gz CZTMXIFWXSHYFT-UHFFFAOYSA-N -1 0 323.345 3.627 20 0 DHADRM CCCc1[nH]ccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001596026577 983289397 /nfs/dbraw/zinc/28/93/97/983289397.db2.gz IXZAFLNOOSUZHJ-UHFFFAOYSA-N -1 0 324.739 3.710 20 0 DHADRM CCCc1c(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596036488 983313752 /nfs/dbraw/zinc/31/37/52/983313752.db2.gz KYPHODSXKYVZLC-PJXYFTJBSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(C)c(C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045264 983331917 /nfs/dbraw/zinc/33/19/17/983331917.db2.gz GYZSIJXIFFQFPM-UHFFFAOYSA-N -1 0 314.385 3.843 20 0 DHADRM CCCc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1Cl ZINC001596052635 983352917 /nfs/dbraw/zinc/35/29/17/983352917.db2.gz GFEJFVYHVQTMCC-AWEZNQCLSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])ccc1Cl ZINC001596052626 983353282 /nfs/dbraw/zinc/35/32/82/983353282.db2.gz FXNHFPDQNORUJC-HNNXBMFYSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1ccc(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])s1 ZINC001596060865 983370759 /nfs/dbraw/zinc/37/07/59/983370759.db2.gz YCNHDNXIKASSFC-KRWDZBQOSA-N -1 0 323.458 3.806 20 0 DHADRM CCCc1ccccc1OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001596070569 983386065 /nfs/dbraw/zinc/38/60/65/983386065.db2.gz MMJBCHQGMWEQHG-CMDGGOBGSA-N -1 0 300.310 3.549 20 0 DHADRM CCCc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001596070686 983387163 /nfs/dbraw/zinc/38/71/63/983387163.db2.gz UNOXDELVTDSHLI-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM CCCc1nsc(Nc2cccc(CSCC(=O)[O-])c2)n1 ZINC001596102523 983427640 /nfs/dbraw/zinc/42/76/40/983427640.db2.gz DGWJJUGUWVHLON-UHFFFAOYSA-N -1 0 323.443 3.552 20 0 DHADRM CCCc1occc1C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001596102699 983428261 /nfs/dbraw/zinc/42/82/61/983428261.db2.gz PTIJHDNUJVGXIH-UHFFFAOYSA-N -1 0 307.371 3.807 20 0 DHADRM CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596138664 983489395 /nfs/dbraw/zinc/48/93/95/983489395.db2.gz VVXNHUVIULIVSS-BFHYXJOUSA-N -1 0 303.402 3.810 20 0 DHADRM CC(C)CCC[C@@H](C)Oc1n[n-]c(=O)cc1Br ZINC001226849489 1014950610 /nfs/dbraw/zinc/95/06/10/1014950610.db2.gz NEHKSTBXPGZDOL-SECBINFHSA-N -1 0 303.200 3.538 20 0 DHADRM CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1C(=O)[O-] ZINC001596156865 983516726 /nfs/dbraw/zinc/51/67/26/983516726.db2.gz ORLQXHBNACAMPO-GXTWGEPZSA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCCC1 ZINC001596159186 983523530 /nfs/dbraw/zinc/52/35/30/983523530.db2.gz ZASFWJJMYDRFGH-UHFFFAOYSA-N -1 0 315.373 3.663 20 0 DHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC001596164300 983526946 /nfs/dbraw/zinc/52/69/46/983526946.db2.gz LGIVLGVUZCSKHB-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](C)CC(=O)[O-])cc1 ZINC000262182277 1014960662 /nfs/dbraw/zinc/96/06/62/1014960662.db2.gz QVUWCDYWFDZEJH-KGLIPLIRSA-N -1 0 305.418 3.531 20 0 DHADRM CCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)c1ccccc1 ZINC001596228773 983620466 /nfs/dbraw/zinc/62/04/66/983620466.db2.gz SNTLCMXIEQYKFJ-UHFFFAOYSA-N -1 0 322.364 3.575 20 0 DHADRM CC(C)c1noc(=N[C@H](C)c2ccc(Br)s2)[n-]1 ZINC000443501998 1014971566 /nfs/dbraw/zinc/97/15/66/1014971566.db2.gz PSCHGHRGZSCFDH-SSDOTTSWSA-N -1 0 316.224 3.612 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(C)c1 ZINC001596358024 983833423 /nfs/dbraw/zinc/83/34/23/983833423.db2.gz ZGPGOSBSRSWYJX-UHFFFAOYSA-N -1 0 305.324 3.998 20 0 DHADRM CC[N@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1 ZINC001596371295 983867916 /nfs/dbraw/zinc/86/79/16/983867916.db2.gz LBQQWQXKCVNLQH-UHFFFAOYSA-N -1 0 312.413 3.545 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)ccc2s1 ZINC000262194263 1014997256 /nfs/dbraw/zinc/99/72/56/1014997256.db2.gz ZDLDJDOVGKKJNR-YABSGUDNSA-N -1 0 301.367 3.584 20 0 DHADRM CCOC(=O)/C=C/CSc1cc2ccccc2cc1C(=O)[O-] ZINC001596584450 984503964 /nfs/dbraw/zinc/50/39/64/984503964.db2.gz VPRULWGLPYUZAW-VMPITWQZSA-N -1 0 316.378 3.749 20 0 DHADRM C/C(=C(/F)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001588932975 984611054 /nfs/dbraw/zinc/61/10/54/984611054.db2.gz OBLWOPIPBFJAEK-QKXCFHHRSA-N -1 0 319.376 3.608 20 0 DHADRM C/C(=C\C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)C(C)(C)C ZINC001588937761 984619032 /nfs/dbraw/zinc/61/90/32/984619032.db2.gz RHQGAOFMFJDENV-ACCUITESSA-N -1 0 315.413 3.965 20 0 DHADRM C/C(=C\C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001588938772 984624605 /nfs/dbraw/zinc/62/46/05/984624605.db2.gz LEVSTIZHSLNEIS-BMGYJQCNSA-N -1 0 323.820 3.749 20 0 DHADRM C/C(=C/C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccs1 ZINC001588939024 984626185 /nfs/dbraw/zinc/62/61/85/984626185.db2.gz PVSQZZWKVWNOAA-SEYXRHQNSA-N -1 0 321.442 3.835 20 0 DHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001599885367 984630452 /nfs/dbraw/zinc/63/04/52/984630452.db2.gz FCMVYUHJNQAXFY-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001588951555 984681062 /nfs/dbraw/zinc/68/10/62/984681062.db2.gz CGDPXNCGYDCOGQ-DHZHZOJOSA-N -1 0 318.398 3.983 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001588951536 984681103 /nfs/dbraw/zinc/68/11/03/984681103.db2.gz BIKDHVMJQZSWEC-VURMDHGXSA-N -1 0 310.762 3.513 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nnc(Nc2cccc(C)c2)s1 ZINC001588952304 984684916 /nfs/dbraw/zinc/68/49/16/984684916.db2.gz NCGRBDSHEJXSEC-YFHOEESVSA-N -1 0 321.427 3.713 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588953467 984695972 /nfs/dbraw/zinc/69/59/72/984695972.db2.gz RNUDNGZNVRKOAP-WVUXNXBLSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588953464 984695988 /nfs/dbraw/zinc/69/59/88/984695988.db2.gz RNUDNGZNVRKOAP-NRMKIYEFSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588955869 984699598 /nfs/dbraw/zinc/69/95/98/984699598.db2.gz BDUYSSWQFHLZNM-BMOGTNHUSA-N -1 0 303.402 3.619 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588956436 984704248 /nfs/dbraw/zinc/70/42/48/984704248.db2.gz OXVFBGGJYVYLDL-LHNRBYRGSA-N -1 0 317.429 3.947 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001588956547 984705537 /nfs/dbraw/zinc/70/55/37/984705537.db2.gz SHNMOYJFZXIOKL-FLIBITNWSA-N -1 0 304.390 3.732 20 0 DHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCCCCC1 ZINC001599893169 984720231 /nfs/dbraw/zinc/72/02/31/984720231.db2.gz QEVYQKPWGSRXRN-AWEZNQCLSA-N -1 0 317.429 3.793 20 0 DHADRM C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CCCC1 ZINC001599895008 984742104 /nfs/dbraw/zinc/74/21/04/984742104.db2.gz NVBWIOSVGFHNJC-KNXALSJPSA-N -1 0 316.401 3.575 20 0 DHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1cc2ccccc2o1 ZINC001599904184 984901645 /nfs/dbraw/zinc/90/16/45/984901645.db2.gz LDRQKCJWJPEOJK-VIFPVBQESA-N -1 0 300.266 3.642 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001588995727 984927256 /nfs/dbraw/zinc/92/72/56/984927256.db2.gz QFXQPYHTIIMUGT-FYWRMAATSA-N -1 0 315.413 3.692 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001599906990 984936506 /nfs/dbraw/zinc/93/65/06/984936506.db2.gz XWSXUTGARCIOLY-DJJJIMSYSA-N -1 0 317.429 3.806 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001589003489 984953357 /nfs/dbraw/zinc/95/33/57/984953357.db2.gz BILSPJRWFOGQBX-SSCKCOOKSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001599908595 984955761 /nfs/dbraw/zinc/95/57/61/984955761.db2.gz GFUXWIGKUQMQGM-KYZUINATSA-N -1 0 302.296 3.789 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001589035347 985083321 /nfs/dbraw/zinc/08/33/21/985083321.db2.gz QBHDMIVYNDQQIW-UHFFFAOYSA-N -1 0 311.403 3.623 20 0 DHADRM CC(=O)CCCCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001589035455 985085294 /nfs/dbraw/zinc/08/52/94/985085294.db2.gz SBMGHWHJIMLTMH-UHFFFAOYSA-N -1 0 307.371 3.768 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccn2)cc1 ZINC000656738306 1015106138 /nfs/dbraw/zinc/10/61/38/1015106138.db2.gz CRMMFBLQWQCGPW-LLVKDONJSA-N -1 0 308.378 3.535 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)s1 ZINC000656738287 1015107246 /nfs/dbraw/zinc/10/72/46/1015107246.db2.gz ICVOPDLKTPDNMJ-UHFFFAOYSA-N -1 0 322.455 3.692 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000656738401 1015107288 /nfs/dbraw/zinc/10/72/88/1015107288.db2.gz UWZHHCLKDXXLAD-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM CCOC1CC(CSc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001596810809 985354282 /nfs/dbraw/zinc/35/42/82/985354282.db2.gz XAUJMIMLJWELIO-UHFFFAOYSA-N -1 0 300.807 3.945 20 0 DHADRM C[C@]1(c2nc(-c3cccc(C(=O)[O-])c3)no2)C[C@@H]1c1ccccc1 ZINC001599938662 985427768 /nfs/dbraw/zinc/42/77/68/985427768.db2.gz OJVIEFFCDTXIBO-BEFAXECRSA-N -1 0 320.348 3.880 20 0 DHADRM C[C@]1(c2ccccc2)C[C@H]1c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001599938762 985428377 /nfs/dbraw/zinc/42/83/77/985428377.db2.gz UJEUZDIGXUVULR-HNAYVOBHSA-N -1 0 320.348 3.880 20 0 DHADRM Cc1nc(=O)[nH]c(S[C@H](C)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC001599941752 985463241 /nfs/dbraw/zinc/46/32/41/985463241.db2.gz SNUXPPJVNDESPY-MRVPVSSYSA-N -1 0 324.789 3.696 20 0 DHADRM CCO[C@@H]1CCC[C@H](Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001596852507 985585313 /nfs/dbraw/zinc/58/53/13/985585313.db2.gz DUGQWJKJMVXMPD-WCQYABFASA-N -1 0 309.431 3.866 20 0 DHADRM CC(=O)c1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)ccc1C ZINC001589253508 985876297 /nfs/dbraw/zinc/87/62/97/985876297.db2.gz KETPCPOMBPQLID-UHFFFAOYSA-N -1 0 322.320 3.613 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001599966718 985920388 /nfs/dbraw/zinc/92/03/88/985920388.db2.gz WUUIRMVUWORHJX-CQSZACIVSA-N -1 0 315.350 3.521 20 0 DHADRM Cc1c(Br)cccc1CSC[C@H](C)C(=O)[O-] ZINC001599972528 986031179 /nfs/dbraw/zinc/03/11/79/986031179.db2.gz NWUAAJJSBJPHLA-QMMMGPOBSA-N -1 0 303.221 3.711 20 0 DHADRM CC(=O)c1cccc(OCc2cc(C(=O)[O-])sc2C)c1F ZINC001589314280 986106307 /nfs/dbraw/zinc/10/63/07/986106307.db2.gz VFASRUQLTKMVSB-UHFFFAOYSA-N -1 0 308.330 3.675 20 0 DHADRM C[C@H]1CN(Cc2ccsc2C(=O)[O-])c2cccc(Cl)c2O1 ZINC001594547106 986221253 /nfs/dbraw/zinc/22/12/53/986221253.db2.gz FLJDCCCXVSWTJV-VIFPVBQESA-N -1 0 323.801 3.887 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001589342683 986271547 /nfs/dbraw/zinc/27/15/47/986271547.db2.gz QGBLMBTYWJKZQX-SOUVJXGZSA-N -1 0 319.445 3.807 20 0 DHADRM CCOc1c(Cl)cccc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001596992960 986279416 /nfs/dbraw/zinc/27/94/16/986279416.db2.gz QTRAGRQAICYNLY-UHFFFAOYSA-N -1 0 323.732 3.591 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)C1CCCC1 ZINC001597008982 986338907 /nfs/dbraw/zinc/33/89/07/986338907.db2.gz HXAOOGRDDYRWKL-NSHDSACASA-N -1 0 305.374 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)CC[C@@H]1CC ZINC001597015741 986370205 /nfs/dbraw/zinc/37/02/05/986370205.db2.gz UUWXYLIAPGEXLI-YPMHNXCESA-N -1 0 320.389 3.578 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)C(F)(F)F ZINC001589385514 986476418 /nfs/dbraw/zinc/47/64/18/986476418.db2.gz IHICCHXLLXLXKX-JQWIXIFHSA-N -1 0 323.355 3.505 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000147695554 1015235914 /nfs/dbraw/zinc/23/59/14/1015235914.db2.gz GXBSREOCWMVOIX-UHFFFAOYSA-N -1 0 311.809 3.803 20 0 DHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)[C@H](C)C(C)(C)C ZINC001589422231 986662213 /nfs/dbraw/zinc/66/22/13/986662213.db2.gz FMVSDNDPTOPZLF-DZKIICNBSA-N -1 0 319.445 3.507 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)C1CCCC1 ZINC001589429280 986708940 /nfs/dbraw/zinc/70/89/40/986708940.db2.gz MREOPDDVILOOTH-MRVPVSSYSA-N -1 0 311.765 3.509 20 0 DHADRM C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])C1CC1 ZINC001589429756 986711599 /nfs/dbraw/zinc/71/15/99/986711599.db2.gz PNZBORGWOLYXRK-LURJTMIESA-N -1 0 302.157 3.676 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)[C@@H](C)C(C)(C)C ZINC001589429784 986712354 /nfs/dbraw/zinc/71/23/54/986712354.db2.gz PYBTYDXNHIGKSI-RKDXNWHRSA-N -1 0 313.344 3.920 20 0 DHADRM C[C@@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)n1cccc1 ZINC001589430901 986722271 /nfs/dbraw/zinc/72/22/71/986722271.db2.gz XZDYMGKGFZUBKT-LBPRGKRZSA-N -1 0 308.337 3.539 20 0 DHADRM CCOc1ccc(NC(=O)CC2(C)CCCC2)c(C(=O)[O-])c1F ZINC001597111172 986761486 /nfs/dbraw/zinc/76/14/86/986761486.db2.gz CDYZGZNVZDVRFM-UHFFFAOYSA-N -1 0 323.364 3.832 20 0 DHADRM CCOc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1OCC ZINC001597123019 986822546 /nfs/dbraw/zinc/82/25/46/986822546.db2.gz JUWISEOVINHIKT-UHFFFAOYSA-N -1 0 321.417 3.929 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC001597123415 986825184 /nfs/dbraw/zinc/82/51/84/986825184.db2.gz NZXPDXYGPNNYDZ-UHFFFAOYSA-N -1 0 307.296 3.674 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC001597124034 986828948 /nfs/dbraw/zinc/82/89/48/986828948.db2.gz UHAXBBWNUPILTI-UHFFFAOYSA-N -1 0 315.369 3.713 20 0 DHADRM CCOc1ccc(OC)cc1NCc1ccc(C(=O)[O-])cc1F ZINC001597130633 986851036 /nfs/dbraw/zinc/85/10/36/986851036.db2.gz RRMBIWQVHFUVBM-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM CCOc1ccc(OC)cc1N[C@@H](C)CC(C)(C)CC(=O)[O-] ZINC001597130728 986851871 /nfs/dbraw/zinc/85/18/71/986851871.db2.gz WEWWHCZYIXOEJO-LBPRGKRZSA-N -1 0 309.406 3.785 20 0 DHADRM CCOc1ccc2[nH]c(S[C@H](C(=O)[O-])[C@@H](C)CC)nc2c1 ZINC001597145594 986907299 /nfs/dbraw/zinc/90/72/99/986907299.db2.gz IRPZPAQOBKNTLH-ZANVPECISA-N -1 0 308.403 3.553 20 0 DHADRM C[C@H]1Sc2ccccc2N(Cc2nc(C(=O)[O-])cs2)[C@H]1C ZINC001594665572 986959625 /nfs/dbraw/zinc/95/96/25/986959625.db2.gz INNCFGANNGWOFX-VHSXEESVSA-N -1 0 320.439 3.731 20 0 DHADRM CCOc1cccc(NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001597161336 986967056 /nfs/dbraw/zinc/96/70/56/986967056.db2.gz CBPDUWAHTZCANR-CYBMUJFWSA-N -1 0 315.369 3.549 20 0 DHADRM C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594666748 986967591 /nfs/dbraw/zinc/96/75/91/986967591.db2.gz ZSOAPLOYDQBOJP-LLVKDONJSA-N -1 0 317.335 3.782 20 0 DHADRM C/C=C/C=C\C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594683023 987033915 /nfs/dbraw/zinc/03/39/15/987033915.db2.gz BZCAPMLKMPRXBF-IAROGAJJSA-N -1 0 300.141 3.762 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594685530 987054976 /nfs/dbraw/zinc/05/49/76/987054976.db2.gz DIFFVWFJXSXOQS-FAAWYNLUSA-N -1 0 316.401 3.524 20 0 DHADRM CC/C(=C\C(=O)N(CC(=O)[O-])[C@@H](C)CC)c1ccc(C)cc1 ZINC001594691605 987091846 /nfs/dbraw/zinc/09/18/46/987091846.db2.gz MBPQUYBSTSCCLX-AYYGCFCKSA-N -1 0 303.402 3.500 20 0 DHADRM CC/C(=C/C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(C)cc1 ZINC001594694199 987106912 /nfs/dbraw/zinc/10/69/12/987106912.db2.gz QNAXFGAIDGAMFM-UVTDQMKNSA-N -1 0 324.380 3.829 20 0 DHADRM CC/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001594694341 987107565 /nfs/dbraw/zinc/10/75/65/987107565.db2.gz VKMNDNCPJJBZKT-DMIOIOJGSA-N -1 0 316.378 3.911 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1 ZINC001589508888 987131467 /nfs/dbraw/zinc/13/14/67/987131467.db2.gz NPJKSHHNLHTQAP-OLZOCXBDSA-N -1 0 324.380 3.983 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC=CC23CCCC3)cc1 ZINC001589510550 987136562 /nfs/dbraw/zinc/13/65/62/987136562.db2.gz VSOHMBPQHXKJEX-ZDUSSCGKSA-N -1 0 314.385 3.591 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2CCC3(CC3)CC2)cc1 ZINC001589511556 987140641 /nfs/dbraw/zinc/14/06/41/987140641.db2.gz AUFDGCPAZFKHOO-LBPRGKRZSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC001589513852 987161275 /nfs/dbraw/zinc/16/12/75/987161275.db2.gz YQFCWFXKAYLLKQ-KGLIPLIRSA-N -1 0 316.401 3.743 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC001589521831 987170817 /nfs/dbraw/zinc/17/08/17/987170817.db2.gz FUYRXFPAMWYSMA-JQWIXIFHSA-N -1 0 311.328 3.639 20 0 DHADRM CCC(=O)c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])n1 ZINC001594717362 987193643 /nfs/dbraw/zinc/19/36/43/987193643.db2.gz CIVMXYSJVJVVQR-UHFFFAOYSA-N -1 0 319.744 3.605 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2c(F)cccc2F)c1 ZINC001589532096 987210908 /nfs/dbraw/zinc/21/09/08/987210908.db2.gz AURHQPLTLCMSDX-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM CC[C@H](C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-])c1ccccc1 ZINC001594730575 987251844 /nfs/dbraw/zinc/25/18/44/987251844.db2.gz WIYJIMYOFGXZTP-LPHOPBHVSA-N -1 0 317.429 3.672 20 0 DHADRM C[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001589542378 987253149 /nfs/dbraw/zinc/25/31/49/987253149.db2.gz AIRQCJUEJOPULP-XHDPSFHLSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001594735387 987268640 /nfs/dbraw/zinc/26/86/40/987268640.db2.gz MLJAXYZHXFDODO-CQSZACIVSA-N -1 0 315.344 3.965 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001589547460 987270842 /nfs/dbraw/zinc/27/08/42/987270842.db2.gz OLUNLNRWQAVNFJ-HTQZYQBOSA-N -1 0 305.157 3.503 20 0 DHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597259126 987277363 /nfs/dbraw/zinc/27/73/63/987277363.db2.gz HKWXZAJFFUCGSO-LLVKDONJSA-N -1 0 324.446 3.600 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589553599 987291204 /nfs/dbraw/zinc/29/12/04/987291204.db2.gz OSBKSDMBBKRZCB-SNVBAGLBSA-N -1 0 304.729 3.747 20 0 DHADRM CC[C@@H]1C[C@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001597299748 987404319 /nfs/dbraw/zinc/40/43/19/987404319.db2.gz JSIMOLYIUWHYGE-GGZOMVNGSA-N -1 0 316.275 3.578 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000262244609 1015304844 /nfs/dbraw/zinc/30/48/44/1015304844.db2.gz AWLUBDLCCIDPMT-ZDUSSCGKSA-N -1 0 315.394 3.732 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)OC1CCCCC1)c1ccccc1 ZINC001589598162 987418757 /nfs/dbraw/zinc/41/87/57/987418757.db2.gz HANCCLNNGOOGLX-OAHLLOKOSA-N -1 0 319.401 3.897 20 0 DHADRM CC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)[O-] ZINC001597343519 987482153 /nfs/dbraw/zinc/48/21/53/987482153.db2.gz LABUZNQNHWGNGG-HNNXBMFYSA-N -1 0 317.429 3.629 20 0 DHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\C1CCCC1 ZINC001589617037 987488773 /nfs/dbraw/zinc/48/87/73/987488773.db2.gz SQNSNVSMIHVONL-SEYXRHQNSA-N -1 0 315.413 3.625 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])CC1 ZINC001597356007 987504224 /nfs/dbraw/zinc/50/42/24/987504224.db2.gz QDULIMGQIPYLLC-CKEIUWERSA-N -1 0 315.413 3.554 20 0 DHADRM CCc1[nH]c(C(=O)NCC[C@H]2CCCC2(C)C)c(C)c1C(=O)[O-] ZINC001597368650 987549705 /nfs/dbraw/zinc/54/97/05/987549705.db2.gz YBNCLIMFXQISAR-GFCCVEGCSA-N -1 0 320.433 3.530 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccc(C)cc2Cl)c(C)c1C(=O)[O-] ZINC001597373190 987556950 /nfs/dbraw/zinc/55/69/50/987556950.db2.gz OIDCMJLXHIMWPQ-UHFFFAOYSA-N -1 0 320.776 3.798 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCCC2CC2)cc1 ZINC001589637778 987557173 /nfs/dbraw/zinc/55/71/73/987557173.db2.gz LFJNRYPAMNSKBU-UHFFFAOYSA-N -1 0 318.417 3.751 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2scnc2Cl)cc1 ZINC001589640648 987562204 /nfs/dbraw/zinc/56/22/04/987562204.db2.gz ANJYDXLVKJRUJJ-UHFFFAOYSA-N -1 0 310.806 3.771 20 0 DHADRM CCc1c(NCc2nc(C(=O)[O-])cs2)cnn1C(CC)CC ZINC001597419605 987724396 /nfs/dbraw/zinc/72/43/96/987724396.db2.gz FYUAJOJARWFWFQ-UHFFFAOYSA-N -1 0 322.434 3.573 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccco2)s1 ZINC001597440166 987797615 /nfs/dbraw/zinc/79/76/15/987797615.db2.gz AGCXBXPSJJRXBW-VIFPVBQESA-N -1 0 307.371 3.734 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccoc2C2CC2)s1 ZINC001597445634 987817922 /nfs/dbraw/zinc/81/79/22/987817922.db2.gz QUYGDMLSADWKIN-UHFFFAOYSA-N -1 0 305.355 3.731 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1CCC2(CC2)CC1 ZINC001597449604 987834526 /nfs/dbraw/zinc/83/45/26/987834526.db2.gz HCFBIKAAZQKZQP-UHFFFAOYSA-N -1 0 301.386 3.856 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC001597452318 987848385 /nfs/dbraw/zinc/84/83/85/987848385.db2.gz GDHQQPUCNZDLDA-GFCCVEGCSA-N -1 0 318.417 3.847 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCC(C)C)C1CC1 ZINC001597454138 987860293 /nfs/dbraw/zinc/86/02/93/987860293.db2.gz ZFVVBGDZXMWRQP-UHFFFAOYSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1CCC2(CC2)CC1 ZINC001597458778 987882377 /nfs/dbraw/zinc/88/23/77/987882377.db2.gz UOYHKPGLWBGFKM-UHFFFAOYSA-N -1 0 316.401 3.792 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589727899 987924491 /nfs/dbraw/zinc/92/44/91/987924491.db2.gz BPEHKRLFVMZECF-KBPBESRZSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589728398 987931733 /nfs/dbraw/zinc/93/17/33/987931733.db2.gz KNJSOCNHSZFUHV-CVEARBPZSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001589728463 987933244 /nfs/dbraw/zinc/93/32/44/987933244.db2.gz LYHBTJKKSGHISR-ZIAGYGMSSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589728895 987938427 /nfs/dbraw/zinc/93/84/27/987938427.db2.gz QKYXUTRMRRRFSE-OLZOCXBDSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001589732422 987960500 /nfs/dbraw/zinc/96/05/00/987960500.db2.gz KZXXXQTXANLSLC-SOUVJXGZSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000008191430 1015352656 /nfs/dbraw/zinc/35/26/56/1015352656.db2.gz SXVNKMDIWTZKLC-GFCCVEGCSA-N -1 0 315.394 3.645 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589741685 988014525 /nfs/dbraw/zinc/01/45/25/988014525.db2.gz CKOCWFKPDANOKA-UHFFFAOYSA-N -1 0 321.417 3.941 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001589743115 988021392 /nfs/dbraw/zinc/02/13/92/988021392.db2.gz DDLXFQLVRXZOSJ-GDBMZVCRSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-] ZINC001589746148 988045486 /nfs/dbraw/zinc/04/54/86/988045486.db2.gz YJWRBUMMWXGVBV-KKUMJFAQSA-N -1 0 309.450 3.599 20 0 DHADRM CCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1CC ZINC001597498470 988045754 /nfs/dbraw/zinc/04/57/54/988045754.db2.gz DCYPUNAWDXZKMK-AWEZNQCLSA-N -1 0 317.429 3.528 20 0 DHADRM CCc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)cc1 ZINC001597498854 988049257 /nfs/dbraw/zinc/04/92/57/988049257.db2.gz PYHNENXDVYMXGN-UHFFFAOYSA-N -1 0 323.392 3.849 20 0 DHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000581830020 1015357259 /nfs/dbraw/zinc/35/72/59/1015357259.db2.gz VMQASCJNMRAPAP-QMTHXVAHSA-N -1 0 320.389 3.564 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001589752160 988060886 /nfs/dbraw/zinc/06/08/86/988060886.db2.gz YOJPNSXNXNDYOC-AWEZNQCLSA-N -1 0 305.418 3.603 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1CC ZINC001597503363 988071083 /nfs/dbraw/zinc/07/10/83/988071083.db2.gz QPBCMBGHICPWNJ-UHFFFAOYSA-N -1 0 315.344 3.901 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)c2cccs2)c1 ZINC001597503277 988071252 /nfs/dbraw/zinc/07/12/52/988071252.db2.gz NXTYJPIQKPEPMC-SNVBAGLBSA-N -1 0 304.367 3.718 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)N2CCc3ccccc32)c1 ZINC001597506351 988075045 /nfs/dbraw/zinc/07/50/45/988075045.db2.gz ATNFMFXVWLYCFM-UHFFFAOYSA-N -1 0 311.337 3.509 20 0 DHADRM CC(C)(C)CCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001589766951 988119156 /nfs/dbraw/zinc/11/91/56/988119156.db2.gz TWOJAXWWOYDOCV-HNNXBMFYSA-N -1 0 311.466 3.990 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001589771821 988125040 /nfs/dbraw/zinc/12/50/40/988125040.db2.gz JEPGHIBEXOMYKU-UHFFFAOYSA-N -1 0 303.402 3.880 20 0 DHADRM CCc1ccc(CCN2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC001597523386 988159325 /nfs/dbraw/zinc/15/93/25/988159325.db2.gz QJBQMVIMHCVKMZ-UHFFFAOYSA-N -1 0 309.409 3.943 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589795218 988188625 /nfs/dbraw/zinc/18/86/25/988188625.db2.gz CFBMJPUWVBOWIF-UONOGXRCSA-N -1 0 323.458 3.766 20 0 DHADRM CCc1ccc(N(CC(C)(C)C)C(=O)CCCC(=O)[O-])cc1 ZINC001597531135 988190241 /nfs/dbraw/zinc/19/02/41/988190241.db2.gz XZZYTYBZKLXBPU-UHFFFAOYSA-N -1 0 305.418 3.883 20 0 DHADRM CCc1ccc(N(CC)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001597533845 988198042 /nfs/dbraw/zinc/19/80/42/988198042.db2.gz SMKSEYOBBJALNF-ZRDIBKRKSA-N -1 0 313.353 3.607 20 0 DHADRM CSCc1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001599802395 988199146 /nfs/dbraw/zinc/19/91/46/988199146.db2.gz IITNUWUYDRTDAF-UHFFFAOYSA-N -1 0 307.396 3.562 20 0 DHADRM CCc1ccc(NC(=O)[C@@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001597542922 988233744 /nfs/dbraw/zinc/23/37/44/988233744.db2.gz LVCUMNXYEPXFJF-JTQLQIEISA-N -1 0 303.383 3.751 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001597543006 988236333 /nfs/dbraw/zinc/23/63/33/988236333.db2.gz OUVNJGJGHYFSSH-NWDGAFQWSA-N -1 0 309.793 3.732 20 0 DHADRM CCc1ccc(NC(=O)c2cccc3ccncc32)c(C(=O)[O-])c1 ZINC001597550747 988269082 /nfs/dbraw/zinc/26/90/82/988269082.db2.gz LHRACDRXNAIDMZ-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1OC ZINC001597551741 988275814 /nfs/dbraw/zinc/27/58/14/988275814.db2.gz LMFXVWNLIWRXDP-LLVKDONJSA-N -1 0 300.358 3.524 20 0 DHADRM CSc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599807409 988278660 /nfs/dbraw/zinc/27/86/60/988278660.db2.gz NUUFSKZSZXUUFT-NWDGAFQWSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599810502 988326132 /nfs/dbraw/zinc/32/61/32/988326132.db2.gz ZVRHWOLZKNMPOF-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001597568825 988327824 /nfs/dbraw/zinc/32/78/24/988327824.db2.gz JDAAWGHGVUZYAA-UHFFFAOYSA-N -1 0 324.380 3.850 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)cnc1Cl ZINC001597571220 988349477 /nfs/dbraw/zinc/34/94/77/988349477.db2.gz ADOJXKFFLNSJNY-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001597575580 988360171 /nfs/dbraw/zinc/36/01/71/988360171.db2.gz AONJLMYASAYNBJ-MBNYWOFBSA-N -1 0 303.402 3.958 20 0 DHADRM CSc1ccc(C)c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001599812557 988362342 /nfs/dbraw/zinc/36/23/42/988362342.db2.gz NDVVDJCGFORJQU-UHFFFAOYSA-N -1 0 319.426 3.691 20 0 DHADRM CCc1cccc(C)c1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001597580693 988382110 /nfs/dbraw/zinc/38/21/10/988382110.db2.gz AMHLRZYHSUCCFI-UHFFFAOYSA-N -1 0 311.381 3.827 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001599814067 988389228 /nfs/dbraw/zinc/38/92/28/988389228.db2.gz FMTBCFLJXNXRLW-DTWKUNHWSA-N -1 0 313.806 3.501 20 0 DHADRM CSc1ccc(Cl)cc1NCc1cccc(C(=O)[O-])n1 ZINC001599814766 988402099 /nfs/dbraw/zinc/40/20/99/988402099.db2.gz QUNJVJKQDMPCNM-UHFFFAOYSA-N -1 0 308.790 3.767 20 0 DHADRM CSc1ccc(CSCc2ccc(C(=O)[O-])cn2)cc1 ZINC001599815040 988407763 /nfs/dbraw/zinc/40/77/63/988407763.db2.gz TZTDDYXXTOFZOO-UHFFFAOYSA-N -1 0 305.424 3.935 20 0 DHADRM CSc1ccc(NC(=O)Cc2ccccc2C)cc1C(=O)[O-] ZINC001599815268 988411533 /nfs/dbraw/zinc/41/15/33/988411533.db2.gz BXJMWZHJARMXQA-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc2nc(C)ccc2o1 ZINC001597591840 988417370 /nfs/dbraw/zinc/41/73/70/988417370.db2.gz JUAKOSBXKFELNN-UHFFFAOYSA-N -1 0 324.336 3.649 20 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0 324.336 3.576 20 0 DHADRM CCc1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597609069 988490961 /nfs/dbraw/zinc/49/09/61/988490961.db2.gz JIFOWPKYKOBFNW-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CSc1cccc(N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599822856 988544427 /nfs/dbraw/zinc/54/44/27/988544427.db2.gz ZRHNKEGBICGDEN-UHFFFAOYSA-N -1 0 315.394 3.692 20 0 DHADRM CSc1ccccc1C(=O)OCc1ccsc1C(=O)[O-] ZINC001599823198 988550003 /nfs/dbraw/zinc/55/00/03/988550003.db2.gz DKRKEOWFQBUTEH-UHFFFAOYSA-N -1 0 308.380 3.525 20 0 DHADRM CSc1ccccc1N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599823812 988561223 /nfs/dbraw/zinc/56/12/23/988561223.db2.gz FUQYNZDSLUNUAE-UHFFFAOYSA-N -1 0 315.394 3.692 20 0 DHADRM CSc1ccccc1COC(=O)c1ccc(C(=O)[O-])s1 ZINC001599823792 988561351 /nfs/dbraw/zinc/56/13/51/988561351.db2.gz DVXZOZCISAYAOM-UHFFFAOYSA-N -1 0 308.380 3.525 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599826149 988600440 /nfs/dbraw/zinc/60/04/40/988600440.db2.gz 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/nfs/dbraw/zinc/20/86/40/989208640.db2.gz CKEHOESSOGYVJB-UHFFFAOYSA-N -1 0 321.323 3.771 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2cc(F)cc(C)c2C1 ZINC001597766635 989215986 /nfs/dbraw/zinc/21/59/86/989215986.db2.gz ZGBZLRQQXUBOFO-UHFFFAOYSA-N -1 0 317.360 3.546 20 0 DHADRM CCc1sc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1C ZINC001597817941 989450456 /nfs/dbraw/zinc/45/04/56/989450456.db2.gz HYXJOFWTBDYGDH-UHFFFAOYSA-N -1 0 309.412 3.939 20 0 DHADRM CCc1sc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1C ZINC001597820075 989459302 /nfs/dbraw/zinc/45/93/02/989459302.db2.gz KDDJPTHYIBHOJD-VIFPVBQESA-N -1 0 308.355 3.828 20 0 DHADRM C[C@@H]1C[C@H](OC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC(C)(C)C1 ZINC001599879719 989467537 /nfs/dbraw/zinc/46/75/37/989467537.db2.gz DFLHZNPYALKNBP-QGSKFPASSA-N -1 0 306.358 3.749 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001590434716 989992107 /nfs/dbraw/zinc/99/21/07/989992107.db2.gz HDKKNCPPDUCJRG-HUUCEWRRSA-N -1 0 315.413 3.736 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cccc(F)n2)s1 ZINC001590463054 990035927 /nfs/dbraw/zinc/03/59/27/990035927.db2.gz CXLUBSLNXIYBJK-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(C)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2N)c1 ZINC001590499177 990112098 /nfs/dbraw/zinc/11/20/98/990112098.db2.gz RSXWRDRBQZHVSS-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2Cc1cncc(C(=O)[O-])c1 ZINC001590500104 990113976 /nfs/dbraw/zinc/11/39/76/990113976.db2.gz BMXXURDFGZVPOS-UHFFFAOYSA-N -1 0 310.397 3.640 20 0 DHADRM CC(C)(C)c1ccnc(SCc2ccsc2C(=O)[O-])n1 ZINC001590515673 990129063 /nfs/dbraw/zinc/12/90/63/990129063.db2.gz ZOVKFUDQHDNDGT-UHFFFAOYSA-N -1 0 308.428 3.826 20 0 DHADRM CC(C)(C)c1nc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)co1 ZINC001590541994 990167242 /nfs/dbraw/zinc/16/72/42/990167242.db2.gz JPYKUYCKORRELV-LSDHHAIUSA-N -1 0 314.385 3.772 20 0 DHADRM CC(C)(C)c1nc(CSCCc2ccccc2C(=O)[O-])no1 ZINC001590542562 990173743 /nfs/dbraw/zinc/17/37/43/990173743.db2.gz ZYKPGXSHSDKWKP-UHFFFAOYSA-N 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COc1ccc(Cl)cc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001599580560 998521413 /nfs/dbraw/zinc/52/14/13/998521413.db2.gz YZRCPUFHHZILQK-MRVPVSSYSA-N -1 0 324.716 3.558 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001594172679 998663186 /nfs/dbraw/zinc/66/31/86/998663186.db2.gz GECVSFPOTGQIMN-LKTVYLICSA-N -1 0 316.378 3.539 20 0 DHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001594184663 998715210 /nfs/dbraw/zinc/71/52/10/998715210.db2.gz KFXTYTTUSJDAHR-GLFJAGTFSA-N -1 0 317.429 3.748 20 0 DHADRM C[C@H]1[C@H](Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC001594186528 998721204 /nfs/dbraw/zinc/72/12/04/998721204.db2.gz WMQJMEAKEHGULA-GBIKHYSHSA-N -1 0 317.307 3.887 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc2c1OC(C)(C)C2 ZINC001594186965 998722263 /nfs/dbraw/zinc/72/22/63/998722263.db2.gz ZYWMBJPQUGKRPI-BZPMIXESSA-N -1 0 303.402 3.701 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc2c1OC(C)(C)C2 ZINC001594186968 998722416 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C[C@H]1CC(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@H](C)C1 ZINC001594223551 998862353 /nfs/dbraw/zinc/86/23/53/998862353.db2.gz XOSJBYFWKMYIPP-GHMZBOCLSA-N -1 0 314.385 3.877 20 0 DHADRM C[C@H]1CC(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C[C@H](C)C1 ZINC001594223702 998862910 /nfs/dbraw/zinc/86/29/10/998862910.db2.gz YYPASPDCKZIORR-NXEZZACHSA-N -1 0 324.446 3.516 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)NCC2(CC(=O)[O-])CCCC2)CC(C)(C)C1 ZINC001594231254 998879080 /nfs/dbraw/zinc/87/90/80/998879080.db2.gz BJDPQANOFYSNPV-HUUCEWRRSA-N -1 0 323.477 3.990 20 0 DHADRM C[C@H]1C[C@@H](CC(=O)NCc2ccc(C(=O)[O-])s2)CC(C)(C)C1 ZINC001594232450 998885138 /nfs/dbraw/zinc/88/51/38/998885138.db2.gz JYOMTSSEKMTHRT-RYUDHWBXSA-N -1 0 323.458 3.915 20 0 DHADRM C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C(=O)[O-])o2)CC(C)(C)C1 ZINC001594237410 998904415 /nfs/dbraw/zinc/90/44/15/998904415.db2.gz XWSVNECLEHUQGY-VXGBXAGGSA-N -1 0 307.390 3.560 20 0 DHADRM C[C@@H](Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000400292622 1016263612 /nfs/dbraw/zinc/26/36/12/1016263612.db2.gz PJPZXYVLXMXUTA-JIMOISOXSA-N -1 0 306.793 3.759 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594270564 999045746 /nfs/dbraw/zinc/04/57/46/999045746.db2.gz WJWFWSATOUSGGT-CXAGYDPISA-N -1 0 309.365 3.608 20 0 DHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001594274600 999060317 /nfs/dbraw/zinc/06/03/17/999060317.db2.gz AOTGXWWLQCOCOG-MEYUZBJRSA-N -1 0 313.397 3.562 20 0 DHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594275564 999065691 /nfs/dbraw/zinc/06/56/91/999065691.db2.gz UCMYVNZYIHHDTG-CHULVVDUSA-N -1 0 314.381 3.598 20 0 DHADRM Cc1cc(Nc2cc(C)nc(Br)c2)cc(C(=O)[O-])c1 ZINC001211537518 1016278914 /nfs/dbraw/zinc/27/89/14/1016278914.db2.gz NOLURKQGWTZLFM-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594286009 999107743 /nfs/dbraw/zinc/10/77/43/999107743.db2.gz QZDUKUSZBNUGFS-VWMGYNLJSA-N -1 0 307.777 3.659 20 0 DHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594287062 999110514 /nfs/dbraw/zinc/11/05/14/999110514.db2.gz SVGZVNHWZRLFAN-BRXULGCHSA-N -1 0 316.397 3.636 20 0 DHADRM CC1CCC(=CC(=O)N2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001594290020 999116460 /nfs/dbraw/zinc/11/64/60/999116460.db2.gz AOYXOAFHNVZTED-UHFFFAOYSA-N -1 0 313.397 3.801 20 0 DHADRM C[C@H]1CC=C(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594290877 999120489 /nfs/dbraw/zinc/12/04/89/999120489.db2.gz MFJPZRHAZIZKPI-NHYWBVRUSA-N -1 0 321.804 3.718 20 0 DHADRM C[C@H]1CC/C(=C/C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594291362 999123090 /nfs/dbraw/zinc/12/30/90/999123090.db2.gz UMUBAANPOHNNQL-HXOPTJOXSA-N -1 0 311.740 3.862 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)C1 ZINC001594292596 999128591 /nfs/dbraw/zinc/12/85/91/999128591.db2.gz RSAYJXUXOJOORB-CHWSQXEVSA-N -1 0 301.386 3.707 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC001594292564 999128637 /nfs/dbraw/zinc/12/86/37/999128637.db2.gz RKZWDUYOFRHRIR-XDKXFUCDSA-N -1 0 321.461 3.551 20 0 DHADRM C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594295372 999136305 /nfs/dbraw/zinc/13/63/05/999136305.db2.gz ABFWYGBNXLDKAG-SWLSCSKDSA-N -1 0 315.417 3.748 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)N(C)C(C)(C)CC(=O)[O-])C1(C)C ZINC001594295398 999136342 /nfs/dbraw/zinc/13/63/42/999136342.db2.gz AZUDFIRDQNPCDR-XXDVPVDVSA-N -1 0 309.450 3.717 20 0 DHADRM CC1CCC(C)(CNC(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001594295418 999136752 /nfs/dbraw/zinc/13/67/52/999136752.db2.gz BRPAVHHSSMVIBW-UHFFFAOYSA-N -1 0 324.465 3.537 20 0 DHADRM CC1CCC(C)(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)CC1 ZINC001594295655 999138090 /nfs/dbraw/zinc/13/80/90/999138090.db2.gz GAZUVEKPEBGUFQ-UHFFFAOYSA-N -1 0 319.401 3.573 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1(C)C ZINC001594296404 999142015 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0 DHADRM C[C@H]1CCC[C@H](C2CN(c3nc(Cl)c(C(=O)[O-])s3)C2)C1 ZINC001594345584 999308344 /nfs/dbraw/zinc/30/83/44/999308344.db2.gz WJJZUKLTKOMSEY-IUCAKERBSA-N -1 0 314.838 3.757 20 0 DHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594352427 999333785 /nfs/dbraw/zinc/33/37/85/999333785.db2.gz DWDWFOWDCBQVHD-IPOQPSJVSA-N -1 0 316.401 3.575 20 0 DHADRM C[C@@H]1CCC[C@@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1C ZINC001594352657 999335385 /nfs/dbraw/zinc/33/53/85/999335385.db2.gz LDFGMTTUTGIFBK-JVDDPLHJSA-N -1 0 308.418 3.780 20 0 DHADRM C[C@@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594352749 999335866 /nfs/dbraw/zinc/33/58/66/999335866.db2.gz PDYFBQPZWUUFCC-SCZZXKLOSA-N -1 0 302.296 3.789 20 0 DHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H]1CCC[C@@H](C)C1 ZINC001594355934 999342876 /nfs/dbraw/zinc/34/28/76/999342876.db2.gz NVWHVBNLPGGRCU-OCWVDJPHSA-N -1 0 321.461 3.743 20 0 DHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594359237 999357393 /nfs/dbraw/zinc/35/73/93/999357393.db2.gz CKIFDLLIBUEBMP-QWHCGFSZSA-N -1 0 303.402 3.814 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001594363557 999372189 /nfs/dbraw/zinc/37/21/89/999372189.db2.gz GWJIWLZXSAZPDM-OIISXLGYSA-N -1 0 323.477 3.990 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCC[C@H](C)C2)cc1 ZINC001594369787 999392658 /nfs/dbraw/zinc/39/26/58/999392658.db2.gz AYVSIFVTBPTOBB-STQMWFEESA-N -1 0 304.390 3.529 20 0 DHADRM CC[C@H](NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC000684729219 1016314093 /nfs/dbraw/zinc/31/40/93/1016314093.db2.gz PJMUGMLSFXLFBW-HOTGVXAUSA-N -1 0 320.433 3.587 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)[C@H]1C ZINC001594403067 999511421 /nfs/dbraw/zinc/51/14/21/999511421.db2.gz POGRPFXGGZIBKQ-RYUDHWBXSA-N -1 0 312.369 3.800 20 0 DHADRM C[C@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)c2ccccc2S1 ZINC001594423672 999582518 /nfs/dbraw/zinc/58/25/18/999582518.db2.gz CJIGNSBZODYVOK-LBPRGKRZSA-N -1 0 316.426 3.614 20 0 DHADRM Cc1cc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)cc(C(=O)[O-])c1 ZINC001211539001 1016333334 /nfs/dbraw/zinc/33/33/34/1016333334.db2.gz AFXWXKVTZRNEFM-UHFFFAOYSA-N -1 0 312.247 3.556 20 0 DHADRM C[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)[C@@H]1c1ccccc1 ZINC001594466557 999689673 /nfs/dbraw/zinc/68/96/73/999689673.db2.gz LFCDYZSYMUDZTM-KDOFPFPSSA-N -1 0 315.413 3.631 20 0 DHADRM CCCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000634818367 1016349777 /nfs/dbraw/zinc/34/97/77/1016349777.db2.gz JBPHYKISTUKMAQ-LSDHHAIUSA-N -1 0 319.401 3.613 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(F)c(F)cc1F ZINC000179011217 1017204847 /nfs/dbraw/zinc/20/48/47/1017204847.db2.gz RGPXRLUZCFMVJX-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(O)c1C ZINC000622518674 1016444250 /nfs/dbraw/zinc/44/42/50/1016444250.db2.gz CASRCYLMYXZILW-UHFFFAOYSA-N -1 0 309.724 3.759 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1(C)C ZINC000622617199 1016499448 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O=C(Nc1ccc2ncsc2c1)c1cc(F)c(F)c([O-])c1F ZINC000185078794 1018107746 /nfs/dbraw/zinc/10/77/46/1018107746.db2.gz PRTYOOCCUDXXQK-UHFFFAOYSA-N -1 0 324.283 3.672 20 0 DHADRM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000185188208 1018109395 /nfs/dbraw/zinc/10/93/95/1018109395.db2.gz VHGBVQLFNYIKLB-UHFFFAOYSA-N -1 0 315.354 3.829 20 0 DHADRM C[C@@H](Oc1cccc(/C=C\c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000477134736 1032743064 /nfs/dbraw/zinc/74/30/64/1032743064.db2.gz OOKIEADJOIIYDN-ZWLSGLHFSA-N -1 0 309.321 3.850 20 0 DHADRM O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000446426507 1018143045 /nfs/dbraw/zinc/14/30/45/1018143045.db2.gz QVPUZTIWLVZVTD-UHFFFAOYSA-N -1 0 320.751 3.711 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000079725596 1018149830 /nfs/dbraw/zinc/14/98/30/1018149830.db2.gz JADZWSPVOJCBRI-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM O=C([N-]Oc1ccccc1F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000874909839 1032757625 /nfs/dbraw/zinc/75/76/25/1032757625.db2.gz 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O=C([O-])CSCc1cccc(NC(=O)C[C@@H]2CC=CCC2)c1 ZINC000923057677 1019010284 /nfs/dbraw/zinc/01/02/84/1019010284.db2.gz QAIFLGRRFDIFDU-CYBMUJFWSA-N -1 0 319.426 3.689 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000923064910 1019015453 /nfs/dbraw/zinc/01/54/53/1019015453.db2.gz UXNJBJWWWCBNTJ-CYBMUJFWSA-N -1 0 301.386 3.734 20 0 DHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000075453965 1019021698 /nfs/dbraw/zinc/02/16/98/1019021698.db2.gz UYTRKUCJBWOQOL-CQSZACIVSA-N -1 0 319.351 3.764 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)n1 ZINC000923096535 1019024479 /nfs/dbraw/zinc/02/44/79/1019024479.db2.gz DPMSJFHNVASBMG-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM O=S(=O)([N-]c1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000007402293 1019025174 /nfs/dbraw/zinc/02/51/74/1019025174.db2.gz QCEBQSGXNIYBCV-UHFFFAOYSA-N -1 0 320.172 3.933 20 0 DHADRM CC[C@H](CC(=O)NCCc1ccccc1C(=O)[O-])C(C)(C)C ZINC000923123683 1019034831 /nfs/dbraw/zinc/03/48/31/1019034831.db2.gz 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O=C([O-])c1cc(/C=C/c2cc(C(F)(F)F)ccc2F)ncn1 ZINC000090072241 1019381816 /nfs/dbraw/zinc/38/18/16/1019381816.db2.gz FRJJEGJTJKHKQO-HNQUOIGGSA-N -1 0 312.222 3.503 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000013453754 1019452879 /nfs/dbraw/zinc/45/28/79/1019452879.db2.gz XHAHNHZRAABFSL-JSGCOSHPSA-N -1 0 317.410 3.574 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000013467025 1019475240 /nfs/dbraw/zinc/47/52/40/1019475240.db2.gz ZSVWMVMUVULNIX-RYUDHWBXSA-N -1 0 307.777 3.562 20 0 DHADRM O=C(c1c([O-])cccc1F)N(CC1CC1)c1cccc(F)c1 ZINC001171644419 1032840857 /nfs/dbraw/zinc/84/08/57/1032840857.db2.gz YDNQMUOVLBZGFF-UHFFFAOYSA-N -1 0 303.308 3.727 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(-c2ccccn2)nc1 ZINC001211620937 1019603327 /nfs/dbraw/zinc/60/33/27/1019603327.db2.gz OKQWJKHHKKLPSD-UHFFFAOYSA-N -1 0 305.337 3.894 20 0 DHADRM Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2cncc(C(F)F)c2)c1 ZINC000657206692 1019605872 /nfs/dbraw/zinc/60/58/72/1019605872.db2.gz 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Cc1oncc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000153323532 1022035493 /nfs/dbraw/zinc/03/54/93/1022035493.db2.gz XWXMMCAWABASSL-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000620197360 1022078126 /nfs/dbraw/zinc/07/81/26/1022078126.db2.gz LIZDHXARHLHKFE-UHFFFAOYSA-N -1 0 304.843 3.791 20 0 DHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000780419049 1022080047 /nfs/dbraw/zinc/08/00/47/1022080047.db2.gz YYQXBYRSOYZMIB-UHFFFAOYSA-N -1 0 317.410 3.615 20 0 DHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000181008717 1022180983 /nfs/dbraw/zinc/18/09/83/1022180983.db2.gz OCYFFVWOAMGIDA-VUSFMPOISA-N -1 0 323.458 3.710 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000920818773 1022181208 /nfs/dbraw/zinc/18/12/08/1022181208.db2.gz GCSHPDSTLKBBHK-JPAZDARGSA-N -1 0 301.386 3.939 20 0 DHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(F)(F)C(F)F ZINC001267743754 1022183455 /nfs/dbraw/zinc/18/34/55/1022183455.db2.gz 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/nfs/dbraw/zinc/20/34/52/1022203452.db2.gz KSEWTTLDHRGUIA-UHFFFAOYSA-N -1 0 322.393 3.914 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])C1(C(F)(F)F)CCCC1 ZINC000416252511 1022216628 /nfs/dbraw/zinc/21/66/28/1022216628.db2.gz PCSCECXLNSLUGE-UHFFFAOYSA-N -1 0 309.234 3.732 20 0 DHADRM Cc1cccn2cc(CNc3ccc4oc(=S)[n-]c4c3)nc12 ZINC001169017953 1022223729 /nfs/dbraw/zinc/22/37/29/1022223729.db2.gz UYEYPRXAIVALDS-UHFFFAOYSA-N -1 0 310.382 3.685 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000634819120 1022253861 /nfs/dbraw/zinc/25/38/61/1022253861.db2.gz IHUGCOYRNYYJFU-NXEZZACHSA-N -1 0 313.806 3.501 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634819121 1022254608 /nfs/dbraw/zinc/25/46/08/1022254608.db2.gz IHUGCOYRNYYJFU-UWVGGRQHSA-N -1 0 313.806 3.501 20 0 DHADRM Cc1cc2occ(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2cc1C ZINC000653319436 1022255574 /nfs/dbraw/zinc/25/55/74/1022255574.db2.gz PKGFGENZPMJFOV-ZDUSSCGKSA-N -1 0 315.369 3.519 20 0 DHADRM Cc1c(Cl)cc(NC(=O)N(C)C(C)(C)C(=O)[O-])cc1Cl ZINC000690284130 1022257945 /nfs/dbraw/zinc/25/79/45/1022257945.db2.gz YHMSFUSQDLNNHI-UHFFFAOYSA-N -1 0 319.188 3.629 20 0 DHADRM C[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1c(F)cccc1Cl ZINC000634823780 1022259870 /nfs/dbraw/zinc/25/98/70/1022259870.db2.gz CDQYIRCEVBTRQF-VIFPVBQESA-N -1 0 315.772 3.547 20 0 DHADRM CCCCC[C@H](NC(=O)CC/C=C\c1ccccc1)C(=O)[O-] ZINC000776661991 1022265782 /nfs/dbraw/zinc/26/57/82/1022265782.db2.gz RVGYURMUFICALR-LJEUOOAZSA-N -1 0 303.402 3.630 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000136355237 1022277954 /nfs/dbraw/zinc/27/79/54/1022277954.db2.gz JENJCZQFNHVFET-OLZOCXBDSA-N -1 0 311.447 3.987 20 0 DHADRM CCC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000858988935 1033043907 /nfs/dbraw/zinc/04/39/07/1033043907.db2.gz STDYZOKIGRCWSM-LSDHHAIUSA-N -1 0 311.809 3.798 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000263298441 1022436224 /nfs/dbraw/zinc/43/62/24/1022436224.db2.gz MYJWGEQODHKWIH-QMMMGPOBSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282386 1022443279 /nfs/dbraw/zinc/44/32/79/1022443279.db2.gz KAEXYQQOTXFAAN-GXTWGEPZSA-N -1 0 313.401 3.937 20 0 DHADRM CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccc(OC)cc1 ZINC000620964516 1022456614 /nfs/dbraw/zinc/45/66/14/1022456614.db2.gz LQQQPFCZISRRNG-CQSZACIVSA-N -1 0 321.323 3.560 20 0 DHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1cc2ccccc2o1 ZINC000620964246 1022456753 /nfs/dbraw/zinc/45/67/53/1022456753.db2.gz HXZWGMBCKHVTHA-SECBINFHSA-N -1 0 317.291 3.908 20 0 DHADRM CC1(C)CN(C(=O)c2c([O-])cc(F)cc2F)[C@H]1c1ccccc1 ZINC000620975815 1022488640 /nfs/dbraw/zinc/48/86/40/1022488640.db2.gz OYUGPHWCRVEGJB-INIZCTEOSA-N -1 0 317.335 3.894 20 0 DHADRM COc1cccc(-n2nccc2Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211652699 1022514352 /nfs/dbraw/zinc/51/43/52/1022514352.db2.gz LNZSMJFQWHCOFY-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000179861531 1022564641 /nfs/dbraw/zinc/56/46/41/1022564641.db2.gz UGLXQUARNFVLOW-UHFFFAOYSA-N -1 0 303.789 3.613 20 0 DHADRM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c(O)c1 ZINC000621173150 1022602780 /nfs/dbraw/zinc/60/27/80/1022602780.db2.gz ZDPZHCSMUYWAKF-SFHVURJKSA-N -1 0 322.408 3.717 20 0 DHADRM CC(C)CCCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000767110319 1022640463 /nfs/dbraw/zinc/64/04/63/1022640463.db2.gz LNJSEFQTRYKRDI-UHFFFAOYSA-N -1 0 305.418 3.950 20 0 DHADRM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1c([O-])cccc1F ZINC000855550478 1022651645 /nfs/dbraw/zinc/65/16/45/1022651645.db2.gz MZPVQMNLLHDLPN-HNNXBMFYSA-N -1 0 315.344 3.543 20 0 DHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 ZINC000238151481 1022704278 /nfs/dbraw/zinc/70/42/78/1022704278.db2.gz VHCMXBGZSNKCLB-FPYGCLRLSA-N -1 0 319.719 3.829 20 0 DHADRM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000071891424 1022717551 /nfs/dbraw/zinc/71/75/51/1022717551.db2.gz WSHBCEMMQQMLDY-UHFFFAOYSA-N -1 0 311.366 3.559 20 0 DHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1cccc(Cl)c1[O-] ZINC000855960649 1022731273 /nfs/dbraw/zinc/73/12/73/1022731273.db2.gz QQQBUFMQXAODBS-UHFFFAOYSA-N -1 0 315.747 3.743 20 0 DHADRM O=C([O-])c1cccc(-c2cc(C(F)(F)F)c(F)cn2)c1F ZINC001242377742 1022751386 /nfs/dbraw/zinc/75/13/86/1022751386.db2.gz FRBXNUQWTOEZQA-UHFFFAOYSA-N -1 0 303.186 3.744 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000825879985 1033079310 /nfs/dbraw/zinc/07/93/10/1033079310.db2.gz FUCBGHWQEFJOED-MBNYWOFBSA-N -1 0 304.390 3.780 20 0 DHADRM CN(C)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184225071 1022779004 /nfs/dbraw/zinc/77/90/04/1022779004.db2.gz WYCWHDBTJVHBNW-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM Cc1cc2cc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])oc2cc1C ZINC000621568203 1022786396 /nfs/dbraw/zinc/78/63/96/1022786396.db2.gz NZOVBRYUZFMJDR-CQSZACIVSA-N -1 0 315.369 3.519 20 0 DHADRM COc1cc(F)cc(CNc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000417579290 1022793780 /nfs/dbraw/zinc/79/37/80/1022793780.db2.gz AGDHYHNMHYVXPG-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM COCc1cccc(CNc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000417580547 1022795596 /nfs/dbraw/zinc/79/55/96/1022795596.db2.gz DCIZBXGYMQEBBQ-UHFFFAOYSA-N -1 0 313.397 3.852 20 0 DHADRM CC(C)(C)c1ncc(CNc2ccc(CC(=O)[O-])cc2)s1 ZINC000417590352 1022798722 /nfs/dbraw/zinc/79/87/22/1022798722.db2.gz RCTLEAFSDLIVIW-UHFFFAOYSA-N -1 0 304.415 3.680 20 0 DHADRM O=C([N-]OCC1CCC1)[C@H](OC1CCCC1)c1ccccc1 ZINC000856347302 1022800354 /nfs/dbraw/zinc/80/03/54/1022800354.db2.gz LOBXBVYVOWPWAE-QGZVFWFLSA-N -1 0 303.402 3.535 20 0 DHADRM CC1(C)C[C@H](c2noc(-c3ccc(Cl)cc3[O-])n2)CCO1 ZINC000651442153 1022821286 /nfs/dbraw/zinc/82/12/86/1022821286.db2.gz ITMSJKMPIQSTEA-SECBINFHSA-N -1 0 308.765 3.768 20 0 DHADRM O=C([N-]C1(c2ccc(C(F)(F)F)cc2)CCC1)C(F)(F)F ZINC000856719183 1022843632 /nfs/dbraw/zinc/84/36/32/1022843632.db2.gz RFWAJHPRWFVVBG-UHFFFAOYSA-N -1 0 311.225 3.763 20 0 DHADRM CC(C)CCc1nnc(NC(=O)c2cc(C(C)(C)C)on2)s1 ZINC000617096172 1022844298 /nfs/dbraw/zinc/84/42/98/1022844298.db2.gz IYCYUKRCHPCTFB-UHFFFAOYSA-N -1 0 322.434 3.665 20 0 DHADRM CC(C)Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000621808950 1022891279 /nfs/dbraw/zinc/89/12/79/1022891279.db2.gz DBXQMUJXCLXVDB-UHFFFAOYSA-N -1 0 315.142 3.542 20 0 DHADRM CC(C)N(CC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000263559041 1022908748 /nfs/dbraw/zinc/90/87/48/1022908748.db2.gz AQAMZLGDGLZMHF-UHFFFAOYSA-N -1 0 324.833 3.759 20 0 DHADRM Cc1cc(Nc2ccc(N3CCCC3=O)cc2)ccc1C(=O)[O-] ZINC001211655146 1022948063 /nfs/dbraw/zinc/94/80/63/1022948063.db2.gz OSAQIBJDUDDTAI-UHFFFAOYSA-N -1 0 310.353 3.564 20 0 DHADRM CCC1(CC)CN(C(=O)c2cccc(Cl)c2[O-])CCS1 ZINC000768539741 1022985554 /nfs/dbraw/zinc/98/55/54/1022985554.db2.gz PWJBMAWHNZBKIW-UHFFFAOYSA-N -1 0 313.850 3.793 20 0 DHADRM O=C([O-])C1(CNc2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000165678968 1022990388 /nfs/dbraw/zinc/99/03/88/1022990388.db2.gz IEWNEGVZOZZUJB-UHFFFAOYSA-N -1 0 302.296 3.547 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1nc2c(s1)CCC2 ZINC000671162564 1022991299 /nfs/dbraw/zinc/99/12/99/1022991299.db2.gz AINMGODGWAHCII-UHFFFAOYSA-N -1 0 302.399 3.559 20 0 DHADRM Cc1cc(Nc2ccnc(OC(F)(F)F)c2)ccc1C(=O)[O-] ZINC001211655466 1023008279 /nfs/dbraw/zinc/00/82/79/1023008279.db2.gz ZITLIMSWORNIRD-UHFFFAOYSA-N -1 0 312.247 3.730 20 0 DHADRM Cc1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857480351 1023018722 /nfs/dbraw/zinc/01/87/22/1023018722.db2.gz FSICAHYFZGYZLX-UHFFFAOYSA-N -1 0 321.298 3.922 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(COC)CCCCC2)c1 ZINC000622060705 1023019768 /nfs/dbraw/zinc/01/97/68/1023019768.db2.gz OXVHDOWEWQABOK-UHFFFAOYSA-N -1 0 319.401 3.520 20 0 DHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)[N-]OC1CCCCC1 ZINC000857492308 1023022926 /nfs/dbraw/zinc/02/29/26/1023022926.db2.gz HAKPYTIDFQEOLT-UHFFFAOYSA-N -1 0 311.809 3.878 20 0 DHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OCCC1CC1 ZINC000857512378 1023025757 /nfs/dbraw/zinc/02/57/57/1023025757.db2.gz NDTLHJBEIGTTKR-CYBMUJFWSA-N -1 0 305.418 3.599 20 0 DHADRM O=C([O-])[C@H]1CCN(Cc2ccc(Cl)s2)c2ccccc21 ZINC000167284397 1023035096 /nfs/dbraw/zinc/03/50/96/1023035096.db2.gz CDRLEUORYISLMH-LBPRGKRZSA-N -1 0 307.802 3.980 20 0 DHADRM Cc1ccc(C)c(C(=O)NC[C@H]2CCCC2(C)C)c1C(=O)[O-] ZINC000386757330 1023061425 /nfs/dbraw/zinc/06/14/25/1023061425.db2.gz DLRYYSLMLPRZQM-CYBMUJFWSA-N -1 0 303.402 3.558 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000622278046 1023093297 /nfs/dbraw/zinc/09/32/97/1023093297.db2.gz FLPQYQVDRMXZHL-UHFFFAOYSA-N -1 0 324.833 3.898 20 0 DHADRM CCO[C@@H](CC(=O)Nc1ccc2[n-]c(=S)oc2c1)C(C)C ZINC000769245169 1023107399 /nfs/dbraw/zinc/10/73/99/1023107399.db2.gz DDXZWHZUCFQLSI-LBPRGKRZSA-N -1 0 308.403 3.506 20 0 DHADRM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1 ZINC000769244311 1023107776 /nfs/dbraw/zinc/10/77/76/1023107776.db2.gz OTYHACBIPQAOGF-VIFPVBQESA-N -1 0 316.357 3.998 20 0 DHADRM CC(C)(C)c1nc(=NC(=O)c2cccc(C(C)(C)C)c2)s[n-]1 ZINC000622350641 1023124121 /nfs/dbraw/zinc/12/41/21/1023124121.db2.gz 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309.431 3.769 20 0 DHADRM CCC(CC)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263408907 1026549441 /nfs/dbraw/zinc/54/94/41/1026549441.db2.gz IHYNORHSJMEOAM-UHFFFAOYSA-N -1 0 311.381 3.970 20 0 DHADRM CC[C@H](C)C(=O)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001204736267 1026950174 /nfs/dbraw/zinc/95/01/74/1026950174.db2.gz BLTVDWPZRXKWIU-ZETCQYMHSA-N -1 0 319.411 3.864 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000811815675 1027101048 /nfs/dbraw/zinc/10/10/48/1027101048.db2.gz XJTDZUADKBOAQE-SNVBAGLBSA-N -1 0 315.756 3.802 20 0 DHADRM COc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc1F ZINC000572102035 1027174234 /nfs/dbraw/zinc/17/42/34/1027174234.db2.gz JKEXBBSASOHLIN-CLTKARDFSA-N -1 0 313.284 3.844 20 0 DHADRM COCc1cc(-c2cccc(CCC(=O)[O-])c2)ccc1OC ZINC000572179957 1027180539 /nfs/dbraw/zinc/18/05/39/1027180539.db2.gz JKLUMMMBHNOUIM-UHFFFAOYSA-N -1 0 300.354 3.526 20 0 DHADRM C[C@H](CC(=O)NCCCCCCCC(=O)[O-])c1ccccc1F ZINC000271968911 1027190835 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CC(C)OCCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000812805484 1027428624 /nfs/dbraw/zinc/42/86/24/1027428624.db2.gz NEBFSMFSFCFHSC-SNVBAGLBSA-N -1 0 320.216 3.570 20 0 DHADRM CCCN(C(=O)Nc1ccc2occ(C)c2c1)[C@@H](CC)C(=O)[O-] ZINC000562647098 1027549349 /nfs/dbraw/zinc/54/93/49/1027549349.db2.gz TZYOZJZCTBQLNC-AWEZNQCLSA-N -1 0 318.373 3.848 20 0 DHADRM C[C@@H](N=c1[n-]c(C2CCOCC2)no1)c1cccc2ccccc21 ZINC000562721227 1027582394 /nfs/dbraw/zinc/58/23/94/1027582394.db2.gz VYTFKHWSPAVWEQ-CYBMUJFWSA-N -1 0 323.396 3.712 20 0 DHADRM C[C@H](CCC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC000296697704 1027709524 /nfs/dbraw/zinc/70/95/24/1027709524.db2.gz DQRDQTNTVOEVBX-OAHLLOKOSA-N -1 0 305.418 3.722 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000577125477 1027711488 /nfs/dbraw/zinc/71/14/88/1027711488.db2.gz GMTOTPNDKIPNEO-BXUZGUMPSA-N -1 0 307.365 3.608 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C\C(C)(C)C ZINC000814020665 1027814319 /nfs/dbraw/zinc/81/43/19/1027814319.db2.gz 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CC(C)Sc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000236629486 201941614 /nfs/dbraw/zinc/94/16/14/201941614.db2.gz DVWRNGRLQHADEB-GFCCVEGCSA-N -1 0 321.442 3.512 20 0 DHADRM CC(C)CCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236689127 201965797 /nfs/dbraw/zinc/96/57/97/201965797.db2.gz XOFPMWKABCDLQF-UHFFFAOYSA-N -1 0 315.369 3.678 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)C(C)C ZINC000139291579 186020868 /nfs/dbraw/zinc/02/08/68/186020868.db2.gz AHKAGJQYWNWDOE-ZBFHGGJFSA-N -1 0 305.418 3.781 20 0 DHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000004201434 181084526 /nfs/dbraw/zinc/08/45/26/181084526.db2.gz XQWUGUMEFNXXDZ-CYBMUJFWSA-N -1 0 324.163 3.549 20 0 DHADRM CC(C)(CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000236804355 202019110 /nfs/dbraw/zinc/01/91/10/202019110.db2.gz OGBSOJFXGWCPIL-UHFFFAOYSA-N -1 0 309.365 3.697 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000236808733 202020381 /nfs/dbraw/zinc/02/03/81/202020381.db2.gz 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202076803 /nfs/dbraw/zinc/07/68/03/202076803.db2.gz ZKFNBYONKWYXDD-KSSFIOAISA-N -1 0 311.381 3.512 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000237005003 202117907 /nfs/dbraw/zinc/11/79/07/202117907.db2.gz NVWCUPIRWYUKIS-SWLSCSKDSA-N -1 0 323.458 3.867 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000005907379 181295210 /nfs/dbraw/zinc/29/52/10/181295210.db2.gz IQMLNTKSDKVYJE-HQJQHLMTSA-N -1 0 319.188 3.614 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c(C)o1 ZINC000187081757 200058385 /nfs/dbraw/zinc/05/83/85/200058385.db2.gz VYMAOFBAVCDVJO-UHFFFAOYSA-N -1 0 323.414 3.700 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2cnc(C3CCC3)s2)o1 ZINC000417574825 334994684 /nfs/dbraw/zinc/99/46/84/334994684.db2.gz RYLTVQPEZJVIFA-CYBMUJFWSA-N -1 0 320.414 3.618 20 0 DHADRM CC(C)(C)c1cnc(CN[C@@H](C(=O)[O-])C2(C)CCCCC2)s1 ZINC000417581905 334998088 /nfs/dbraw/zinc/99/80/88/334998088.db2.gz UIJOACPPXYNXRX-AWEZNQCLSA-N -1 0 324.490 3.954 20 0 DHADRM 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CO[C@@H](CN1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000379296514 336263613 /nfs/dbraw/zinc/26/36/13/336263613.db2.gz XODQIDKQHJPDPE-SFHVURJKSA-N -1 0 311.381 3.525 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000532846429 336273670 /nfs/dbraw/zinc/27/36/70/336273670.db2.gz DIDYZPPMSSNZIQ-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2cc(Cl)cc(F)c2F)CCCC1 ZINC000443029483 336284522 /nfs/dbraw/zinc/28/45/22/336284522.db2.gz HBSCTJBKSGMBJB-UHFFFAOYSA-N -1 0 317.719 3.592 20 0 DHADRM COc1cccc(C)c1NC(=O)Cc1ccc(O)cc1Cl ZINC000192942875 336285520 /nfs/dbraw/zinc/28/55/20/336285520.db2.gz VABQKRXDHYQKMV-UHFFFAOYSA-N -1 0 305.761 3.544 20 0 DHADRM CCCNc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000193037831 336287434 /nfs/dbraw/zinc/28/74/34/336287434.db2.gz KWKKSZIVGYGOPS-UHFFFAOYSA-N -1 0 318.804 3.798 20 0 DHADRM COc1ccc(Cn2ccc([N-]c3nc4ccccc4o3)n2)cc1 ZINC000302473028 336359451 /nfs/dbraw/zinc/35/94/51/336359451.db2.gz WGZNAYVMEOBTLG-UHFFFAOYSA-N -1 0 320.352 3.825 20 0 DHADRM Cc1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353858336 336444272 /nfs/dbraw/zinc/44/42/72/336444272.db2.gz OULBXAMGZHCIHM-UHFFFAOYSA-N -1 0 300.742 3.510 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356028160 336532743 /nfs/dbraw/zinc/53/27/43/336532743.db2.gz YUNKJLBLDYMKJJ-NSHDSACASA-N -1 0 316.405 3.578 20 0 DHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(Cl)c2[O-])c1C ZINC000358608195 336636631 /nfs/dbraw/zinc/63/66/31/336636631.db2.gz MGNUVORSWJLPSA-SECBINFHSA-N -1 0 307.781 3.774 20 0 DHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000360803235 336722679 /nfs/dbraw/zinc/72/26/79/336722679.db2.gz SFQQQERYFAMKMG-UHFFFAOYSA-N -1 0 322.864 3.530 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000362402943 336795872 /nfs/dbraw/zinc/79/58/72/336795872.db2.gz NNDDCJKGAHRUID-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000362438371 336797266 /nfs/dbraw/zinc/79/72/66/336797266.db2.gz 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337091720 /nfs/dbraw/zinc/09/17/20/337091720.db2.gz GLNUXCJGCNAFCI-VIFPVBQESA-N -1 0 310.806 3.688 20 0 DHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCCCC1)C(F)(F)F ZINC000582593452 337111075 /nfs/dbraw/zinc/11/10/75/337111075.db2.gz LMTDCOHKLWSVLA-UHFFFAOYSA-N -1 0 323.355 3.506 20 0 DHADRM Cc1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)sc1C ZINC000173996429 337140315 /nfs/dbraw/zinc/14/03/15/337140315.db2.gz AOTGHNTVPYDCQZ-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(C)c2)s1 ZINC000177879796 337161017 /nfs/dbraw/zinc/16/10/17/337161017.db2.gz NLENAGUZUQMUPL-UHFFFAOYSA-N -1 0 324.471 3.759 20 0 DHADRM C[C@@H](CNC(=O)c1cc2sc3ccccc3c2s1)C(=O)[O-] ZINC000178227435 337161472 /nfs/dbraw/zinc/16/14/72/337161472.db2.gz ILFAGISFHZZNRW-QMMMGPOBSA-N -1 0 319.407 3.567 20 0 DHADRM C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]1c1ccccc1 ZINC000180089665 337173724 /nfs/dbraw/zinc/17/37/24/337173724.db2.gz LWZKKEICNQLWOF-VFZGTOFNSA-N -1 0 321.298 3.643 20 0 DHADRM O=C(Nc1ccc(O)c(Cl)c1)c1cccnc1C(F)(F)F ZINC000182873036 337190496 /nfs/dbraw/zinc/19/04/96/337190496.db2.gz YAZGFEDVOSNLDR-UHFFFAOYSA-N -1 0 316.666 3.712 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000183760458 337193271 /nfs/dbraw/zinc/19/32/71/337193271.db2.gz DALVICPQJYWCDX-GFCCVEGCSA-N -1 0 307.733 3.512 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000583061322 337234315 /nfs/dbraw/zinc/23/43/15/337234315.db2.gz FROOOZNBOSDAOZ-OSJSJHBBSA-N -1 0 315.413 3.679 20 0 DHADRM C[C@@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000583154285 337247330 /nfs/dbraw/zinc/24/73/30/337247330.db2.gz XRTGDIRKRQGGLP-SNVBAGLBSA-N -1 0 301.308 3.816 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1ccccc1F)C1CC1 ZINC000023955273 337254457 /nfs/dbraw/zinc/25/44/57/337254457.db2.gz QMCZGXJULRMOLI-UHFFFAOYSA-N -1 0 319.763 3.990 20 0 DHADRM O=c1[n-]c(S[C@@H]2CCc3c2cc(Cl)cc3Cl)n[nH]1 ZINC000446070796 338519928 /nfs/dbraw/zinc/51/99/28/338519928.db2.gz NPUAIMCOGZRPEN-SECBINFHSA-N -1 0 302.186 3.597 20 0 DHADRM CC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(F)cc1F ZINC000583219968 337277497 /nfs/dbraw/zinc/27/74/97/337277497.db2.gz CROYFNPUJPHROK-SECBINFHSA-N -1 0 323.290 3.820 20 0 DHADRM CCc1cccc(CC)c1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000321696922 337283811 /nfs/dbraw/zinc/28/38/11/337283811.db2.gz KXEMMYNXOQCRRQ-OAHLLOKOSA-N -1 0 320.433 3.680 20 0 DHADRM CCc1cccc(CC)c1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000321708144 337284585 /nfs/dbraw/zinc/28/45/85/337284585.db2.gz COUFINYBVTUEHS-UHFFFAOYSA-N -1 0 320.433 3.824 20 0 DHADRM Cc1coc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)n1 ZINC000191625125 337297957 /nfs/dbraw/zinc/29/79/57/337297957.db2.gz DTHDLFPYZZQODH-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000013180508 337308186 /nfs/dbraw/zinc/30/81/86/337308186.db2.gz DCQUHPSAHWTODS-NSHDSACASA-N -1 0 300.314 3.509 20 0 DHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000583327514 337316594 /nfs/dbraw/zinc/31/65/94/337316594.db2.gz RCKXFTCCLALEGP-PRHODGIISA-N -1 0 320.241 3.556 20 0 DHADRM C[C@@H](CCc1n[nH]c2ccccc21)Nc1cccc(CC(=O)[O-])c1 ZINC000583799702 337334656 /nfs/dbraw/zinc/33/46/56/337334656.db2.gz DITIEWBNKISMKF-ZDUSSCGKSA-N -1 0 323.396 3.623 20 0 DHADRM O=C([O-])c1ccc(CNCc2cc3ccccc3o2)nc1C1CC1 ZINC000584580380 337366649 /nfs/dbraw/zinc/36/66/49/337366649.db2.gz PYZFFXCHEMZQQV-UHFFFAOYSA-N -1 0 322.364 3.693 20 0 DHADRM Cc1c(NCc2ccc(Br)o2)cccc1C(=O)[O-] ZINC000037122567 337395297 /nfs/dbraw/zinc/39/52/97/337395297.db2.gz MGMMTUBWGUABTH-UHFFFAOYSA-N -1 0 310.147 3.661 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000425249538 337444188 /nfs/dbraw/zinc/44/41/88/337444188.db2.gz UJSZTNJGFOIDRU-KBMXLJTQSA-N -1 0 303.402 3.535 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000236793380 337465195 /nfs/dbraw/zinc/46/51/95/337465195.db2.gz NNIDKYGAABMUNG-CXAGYDPISA-N -1 0 313.397 3.559 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000237049195 337467301 /nfs/dbraw/zinc/46/73/01/337467301.db2.gz RGOXTFVCUXFORW-HNNXBMFYSA-N -1 0 317.772 3.919 20 0 DHADRM CN(Cc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237123587 337468328 /nfs/dbraw/zinc/46/83/28/337468328.db2.gz IZUXJNQPTKMSSB-UHFFFAOYSA-N -1 0 319.360 3.810 20 0 DHADRM CSc1ccsc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237290195 337468515 /nfs/dbraw/zinc/46/85/15/337468515.db2.gz PUXIAKGAPBNHRU-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237373400 337468785 /nfs/dbraw/zinc/46/87/85/337468785.db2.gz KXNCLOPYSXIMFG-RHSMWYFYSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cc2ccccc2o1 ZINC000237525009 337468824 /nfs/dbraw/zinc/46/88/24/337468824.db2.gz MZJLRCXLCJYWRU-SECBINFHSA-N -1 0 315.350 3.684 20 0 DHADRM Cc1ccccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237564945 337468971 /nfs/dbraw/zinc/46/89/71/337468971.db2.gz RLTAQCNYHOUDLB-LBPRGKRZSA-N -1 0 315.394 3.813 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000238071789 337469954 /nfs/dbraw/zinc/46/99/54/337469954.db2.gz XZHBCMRXTUUEKZ-UHFFFAOYSA-N -1 0 317.772 3.538 20 0 DHADRM CCc1sc(C(=O)[O-])cc1-c1cccc(COCCOC)c1 ZINC000572180410 337595278 /nfs/dbraw/zinc/59/52/78/337595278.db2.gz XATGAGNMJHPKNW-UHFFFAOYSA-N -1 0 320.410 3.839 20 0 DHADRM CC(C)c1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000320916736 337606045 /nfs/dbraw/zinc/60/60/45/337606045.db2.gz BEOSHDOPZWNTHE-MRXNPFEDSA-N -1 0 312.369 3.757 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000321013991 337608855 /nfs/dbraw/zinc/60/88/55/337608855.db2.gz MZUQYVRCQSPQFY-UHFFFAOYSA-N -1 0 311.381 3.557 20 0 DHADRM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc21 ZINC000262141117 337615434 /nfs/dbraw/zinc/61/54/34/337615434.db2.gz IOTBTMGSTLDFGE-AWEZNQCLSA-N -1 0 323.392 3.858 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 ZINC000262195576 337615885 /nfs/dbraw/zinc/61/58/85/337615885.db2.gz ZJCDDUQUUQSRNY-KBPBESRZSA-N -1 0 321.804 3.552 20 0 DHADRM CCC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262220130 337615889 /nfs/dbraw/zinc/61/58/89/337615889.db2.gz QWFIDSQWGBFBOU-QGZVFWFLSA-N -1 0 311.381 3.585 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cccc(C)c2o1 ZINC000262258487 337616214 /nfs/dbraw/zinc/61/62/14/337616214.db2.gz YPVSSTGBGANHPP-UHFFFAOYSA-N -1 0 303.358 3.505 20 0 DHADRM CC(C)CCC[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262278937 337616328 /nfs/dbraw/zinc/61/63/28/337616328.db2.gz ZHEGYMZAJSQEJL-AWEZNQCLSA-N -1 0 305.418 3.648 20 0 DHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262343882 337617092 /nfs/dbraw/zinc/61/70/92/337617092.db2.gz GMTKNTJXMLCJSS-WDEREUQCSA-N -1 0 307.365 3.563 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(Cc2ccccc2)CC1 ZINC000262431461 337617706 /nfs/dbraw/zinc/61/77/06/337617706.db2.gz BSVYKDIIKBGMKN-UHFFFAOYSA-N -1 0 323.392 3.963 20 0 DHADRM O=C([O-])c1coc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 ZINC000262373356 337617802 /nfs/dbraw/zinc/61/78/02/337617802.db2.gz MKNYBAYQUZIIHZ-OAHLLOKOSA-N -1 0 313.353 3.735 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000262458921 337618341 /nfs/dbraw/zinc/61/83/41/337618341.db2.gz FOUWWSYSQAZGGF-MEDUHNTESA-N -1 0 319.401 3.535 20 0 DHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000572379316 337619152 /nfs/dbraw/zinc/61/91/52/337619152.db2.gz BTMOBNQIZVBIIB-MNOVXSKESA-N -1 0 324.808 3.600 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CCCC1CCCC1)c1ccc(F)cc1 ZINC000262575147 337619504 /nfs/dbraw/zinc/61/95/04/337619504.db2.gz DGQQZAKMNBZABW-INIZCTEOSA-N -1 0 321.392 3.818 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262743993 337620936 /nfs/dbraw/zinc/62/09/36/337620936.db2.gz HIZYSJICIUEIFZ-RYUDHWBXSA-N -1 0 309.431 3.625 20 0 DHADRM CCc1ccc2occ(C(=O)NCCCCCCC(=O)[O-])c2c1 ZINC000262939216 337622400 /nfs/dbraw/zinc/62/24/00/337622400.db2.gz CDFXIGJLBNCQCR-UHFFFAOYSA-N -1 0 317.385 3.760 20 0 DHADRM Cc1oc(CN(C)C(=O)C[C@H]2CCCCC2(C)C)cc1C(=O)[O-] ZINC000262940554 337622458 /nfs/dbraw/zinc/62/24/58/337622458.db2.gz CFDMITIOZZAFAX-CYBMUJFWSA-N -1 0 321.417 3.851 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262962937 337622635 /nfs/dbraw/zinc/62/26/35/337622635.db2.gz QLHOTSPITZBYOM-WKILWMFISA-N -1 0 309.450 3.696 20 0 DHADRM CC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263079470 337624072 /nfs/dbraw/zinc/62/40/72/337624072.db2.gz PPYKEHDVSUYBAP-DYVFJYSZSA-N -1 0 313.397 3.908 20 0 DHADRM COc1cc(NC(=O)C[C@H]2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000263081247 337624073 /nfs/dbraw/zinc/62/40/73/337624073.db2.gz ZETSQOVQPSHIGM-NEPJUHHUSA-N -1 0 305.374 3.548 20 0 DHADRM CCc1cccc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263331911 337626425 /nfs/dbraw/zinc/62/64/25/337626425.db2.gz QBKJHLPKNMDNDP-ZDUSSCGKSA-N -1 0 311.381 3.618 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000263336483 337626487 /nfs/dbraw/zinc/62/64/87/337626487.db2.gz QZORHCHZSMOVNT-HNNXBMFYSA-N -1 0 315.394 3.636 20 0 DHADRM CCSCc1ccnc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263399361 337627696 /nfs/dbraw/zinc/62/76/96/337627696.db2.gz HOABUTFTNVSNNN-UHFFFAOYSA-N -1 0 302.399 3.645 20 0 DHADRM Cc1occc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263418270 337628375 /nfs/dbraw/zinc/62/83/75/337628375.db2.gz OQNFMCIEGWGLRB-AWEZNQCLSA-N -1 0 307.390 3.522 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)NCCCC(=O)[O-])c(C)c1 ZINC000263458108 337629764 /nfs/dbraw/zinc/62/97/64/337629764.db2.gz CQHBIKYOUZCBOJ-LBPRGKRZSA-N -1 0 324.446 3.872 20 0 DHADRM CCn1nc(CNc2cccc(CCC(=O)[O-])c2)c2ccccc21 ZINC000263462676 337629778 /nfs/dbraw/zinc/62/97/78/337629778.db2.gz CDCYJYSPPFIIBX-UHFFFAOYSA-N -1 0 323.396 3.686 20 0 DHADRM O=C([O-])CCCNC(=O)Nc1ccccc1SC1CCCC1 ZINC000263482267 337630276 /nfs/dbraw/zinc/63/02/76/337630276.db2.gz LGHNVCHYUMPGJG-UHFFFAOYSA-N -1 0 322.430 3.708 20 0 DHADRM C[C@@H](CN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1)C(=O)[O-] ZINC000263486079 337630468 /nfs/dbraw/zinc/63/04/68/337630468.db2.gz MRYWSOKKLXNVMO-NSHDSACASA-N -1 0 324.446 3.762 20 0 DHADRM C[C@@H](CCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000263510529 337630882 /nfs/dbraw/zinc/63/08/82/337630882.db2.gz CGALMMYKEMJURV-WMLDXEAASA-N -1 0 323.392 3.785 20 0 DHADRM C[C@H](CCC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000263520180 337631186 /nfs/dbraw/zinc/63/11/86/337631186.db2.gz GUFWBLJIJAGSGA-HZPDHXFCSA-N -1 0 317.429 3.674 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000572438016 337649277 /nfs/dbraw/zinc/64/92/77/337649277.db2.gz LCHMLTNMFBKDSF-PXPVJAHISA-N -1 0 315.413 3.583 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000321856986 337663181 /nfs/dbraw/zinc/66/31/81/337663181.db2.gz LMYDZGDVMGJHSC-CYBMUJFWSA-N -1 0 318.417 3.703 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533196044 337834807 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CO[C@@H](C)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000339168680 523445438 /nfs/dbraw/zinc/44/54/38/523445438.db2.gz CTOCMQZNNOSTAE-ZDUSSCGKSA-N -1 0 319.401 3.758 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc([O-])c(Cl)c1)c1nccs1 ZINC000180049254 523485496 /nfs/dbraw/zinc/48/54/96/523485496.db2.gz NHFNELAGVZGDML-AWEZNQCLSA-N -1 0 310.806 3.557 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191423448 524249640 /nfs/dbraw/zinc/24/96/40/524249640.db2.gz LTEFALOMPMXTSO-AWEZNQCLSA-N -1 0 311.381 3.819 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000249377809 524697166 /nfs/dbraw/zinc/69/71/66/524697166.db2.gz UJIXSNSIGNSMQP-OEUWWYETSA-N -1 0 315.413 3.632 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(C)CCCCCC1 ZINC000190949195 525367699 /nfs/dbraw/zinc/36/76/99/525367699.db2.gz BHWCMKXJXZVRLO-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC1CCCCC1 ZINC000237644492 525421986 /nfs/dbraw/zinc/42/19/86/525421986.db2.gz HVDIMNBEJXCDHY-INIZCTEOSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C1CCCCCC1 ZINC000237643686 525422319 /nfs/dbraw/zinc/42/23/19/525422319.db2.gz YJBDWZDTEJPRDI-INIZCTEOSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263333703 525843555 /nfs/dbraw/zinc/84/35/55/525843555.db2.gz VPMGTIXYZJDTMW-JSGCOSHPSA-N -1 0 307.390 3.533 20 0 DHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000237653507 525988998 /nfs/dbraw/zinc/98/89/98/525988998.db2.gz NJDKNHIOOSCGIH-GFCCVEGCSA-N -1 0 317.341 3.637 20 0 DHADRM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC000237530626 526227203 /nfs/dbraw/zinc/22/72/03/526227203.db2.gz XAGLEHGDYBUXSL-HUUCEWRRSA-N -1 0 309.450 3.696 20 0 DHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000238057381 526364210 /nfs/dbraw/zinc/36/42/10/526364210.db2.gz WYHRJTGNEWUKTP-UHFFFAOYSA-N -1 0 323.392 3.509 20 0 DHADRM Cc1sc(/C=C\c2cn3cc(Cl)ccc3n2)nc1C(=O)[O-] ZINC000339119874 526866130 /nfs/dbraw/zinc/86/61/30/526866130.db2.gz MMOBMPBRKDZKTL-HYXAFXHYSA-N -1 0 319.773 3.621 20 0 DHADRM O=C([N-][C@H](c1cc2ccccc2o1)c1ccncc1)C(F)(F)F ZINC000363646260 527004392 /nfs/dbraw/zinc/00/43/92/527004392.db2.gz KIQBNBJLJKHXNJ-AWEZNQCLSA-N -1 0 320.270 3.596 20 0 DHADRM O=C(Nc1ccc(F)c(Cl)c1)c1s[n-]c(=O)c1Cl ZINC000339239859 527193087 /nfs/dbraw/zinc/19/30/87/527193087.db2.gz NVUFIROCZFISTO-UHFFFAOYSA-N -1 0 307.133 3.547 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000263291567 527577571 /nfs/dbraw/zinc/57/75/71/527577571.db2.gz LMATXBRMOSLNMD-MRXNPFEDSA-N -1 0 303.402 3.679 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000237924055 527595052 /nfs/dbraw/zinc/59/50/52/527595052.db2.gz ZNPYSBVWVSGCGT-HNNXBMFYSA-N -1 0 323.820 3.519 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)C=C1CCCCC1)c1ccccc1 ZINC000268907178 527597146 /nfs/dbraw/zinc/59/71/46/527597146.db2.gz ZXBPAVAWDPWLPZ-INIZCTEOSA-N -1 0 301.386 3.599 20 0 DHADRM Fc1cc(OCc2ccc3ccccc3c2)ccc1-c1nn[nH]n1 ZINC000737651334 598825238 /nfs/dbraw/zinc/82/52/38/598825238.db2.gz JUFOJABYMMOREJ-UHFFFAOYSA-N -1 0 320.327 3.738 20 0 DHADRM CCc1ccc(CCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000036977847 599804030 /nfs/dbraw/zinc/80/40/30/599804030.db2.gz WDZSPYQKRWEMOJ-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000519691184 596908538 /nfs/dbraw/zinc/90/85/38/596908538.db2.gz PGSBNAMAGITCKY-MRXNPFEDSA-N -1 0 324.380 3.600 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000383638254 597182299 /nfs/dbraw/zinc/18/22/99/597182299.db2.gz MEMLVYDKBXSWCD-ZDUSSCGKSA-N -1 0 312.369 3.539 20 0 DHADRM C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071408 597281544 /nfs/dbraw/zinc/28/15/44/597281544.db2.gz PRHMVGKAICXHMK-WSVYEEACSA-N -1 0 306.358 3.534 20 0 DHADRM Cc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC000013066174 597284531 /nfs/dbraw/zinc/28/45/31/597284531.db2.gz OOVUSNFAYHAIBA-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM CCC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000322011682 597300396 /nfs/dbraw/zinc/30/03/96/597300396.db2.gz IZDYZRUPSAPUDK-UHFFFAOYSA-N -1 0 312.369 3.654 20 0 DHADRM CC(=O)Nc1ccc(Cl)c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000817715929 597300443 /nfs/dbraw/zinc/30/04/43/597300443.db2.gz OTOUHXUKWAXLDV-UHFFFAOYSA-N -1 0 318.760 3.609 20 0 DHADRM Cc1occc1-c1nnc(SCc2ccc(C(=O)[O-])cc2)o1 ZINC000013236834 597301646 /nfs/dbraw/zinc/30/16/46/597301646.db2.gz DUULSZIUUWNDCQ-UHFFFAOYSA-N -1 0 316.338 3.629 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817842164 597317060 /nfs/dbraw/zinc/31/70/60/597317060.db2.gz YZCDIIVDLFYOFE-UHFFFAOYSA-N -1 0 311.381 3.521 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818878981 597317511 /nfs/dbraw/zinc/31/75/11/597317511.db2.gz ANTKYNKDJOPZQB-UHFFFAOYSA-N -1 0 311.381 3.538 20 0 DHADRM CC(C)[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817853298 597318570 /nfs/dbraw/zinc/31/85/70/597318570.db2.gz JIWMFSMOXMBKFC-SFHVURJKSA-N -1 0 311.381 3.692 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000819610443 597321831 /nfs/dbraw/zinc/32/18/31/597321831.db2.gz RLAJVTWJTIUYKE-SFHVURJKSA-N -1 0 324.380 3.587 20 0 DHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc3ccsc32)C1 ZINC000386292548 597380027 /nfs/dbraw/zinc/38/00/27/597380027.db2.gz IFPDRNSNLIANBJ-LLVKDONJSA-N -1 0 318.398 3.620 20 0 DHADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c(Cl)c1C ZINC000821070296 597732245 /nfs/dbraw/zinc/73/22/45/597732245.db2.gz VFUHGAAARZTGGT-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM O=C([O-])CCCCSc1nnc(-c2ccccc2Cl)o1 ZINC000738575940 597755633 /nfs/dbraw/zinc/75/56/33/597755633.db2.gz KQDGEEGVGWALPR-UHFFFAOYSA-N -1 0 312.778 3.737 20 0 DHADRM CCCCc1ccc(NC(=S)N(CC(=O)[O-])C(C)C)cc1 ZINC000820317212 598058622 /nfs/dbraw/zinc/05/86/22/598058622.db2.gz NZCCQSPTRXSPMZ-UHFFFAOYSA-N -1 0 308.447 3.521 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2cccnc2-c2ccccc2)c1 ZINC000821551017 598148901 /nfs/dbraw/zinc/14/89/01/598148901.db2.gz YIVDRJVMXVYDMQ-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM Cc1ncc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)o1 ZINC000195152666 598154344 /nfs/dbraw/zinc/15/43/44/598154344.db2.gz WPHKBLLZYCBWKN-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000821553714 598177270 /nfs/dbraw/zinc/17/72/70/598177270.db2.gz OBBVTDNCSGHWSK-ZDUSSCGKSA-N -1 0 316.382 3.815 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000736120086 599703445 /nfs/dbraw/zinc/70/34/45/599703445.db2.gz FHWMEFAOUYQWBA-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000573809351 599708868 /nfs/dbraw/zinc/70/88/68/599708868.db2.gz XUQXBCSFAPVFCQ-UKRRQHHQSA-N -1 0 305.374 3.850 20 0 DHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000582365020 599710292 /nfs/dbraw/zinc/71/02/92/599710292.db2.gz DNBSYUCNSAAYDA-CABCVRRESA-N -1 0 305.374 3.850 20 0 DHADRM CCCC[C@H](Sc1nccn1-c1ccc(OC)cc1)C(=O)[O-] ZINC000736986652 599710448 /nfs/dbraw/zinc/71/04/48/599710448.db2.gz XPEPUKYHSAKQDP-AWEZNQCLSA-N -1 0 320.414 3.616 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736427942 599715168 /nfs/dbraw/zinc/71/51/68/599715168.db2.gz HVOMCMYEFPFAPD-JTQLQIEISA-N -1 0 311.357 3.862 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000738551181 599717268 /nfs/dbraw/zinc/71/72/68/599717268.db2.gz HILNBYGMQLBLEA-SECBINFHSA-N -1 0 321.308 3.700 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736773487 599717834 /nfs/dbraw/zinc/71/78/34/599717834.db2.gz ABTGMQHLKHPAOK-GHMZBOCLSA-N -1 0 323.368 3.863 20 0 DHADRM O=C([O-])NCCCC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000739961658 599719506 /nfs/dbraw/zinc/71/95/06/599719506.db2.gz QNGJXEWJFXVKRF-UHFFFAOYSA-N -1 0 322.430 3.708 20 0 DHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000346977116 599744520 /nfs/dbraw/zinc/74/45/20/599744520.db2.gz BWWWUVYZPIOBEG-UHFFFAOYSA-N -1 0 318.398 3.601 20 0 DHADRM CN(CCCC(=O)Nc1ccc(SC(C)(C)C)cc1)C(=O)[O-] ZINC000737430533 599750478 /nfs/dbraw/zinc/75/04/78/599750478.db2.gz DZZNWHINQQDRMZ-UHFFFAOYSA-N -1 0 324.446 3.906 20 0 DHADRM CCC/C=C\C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736975102 599752711 /nfs/dbraw/zinc/75/27/11/599752711.db2.gz QSSHLROYEWSQNS-WTKPLQERSA-N -1 0 303.383 3.572 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3C)c[nH]c2c1 ZINC000738667805 599765251 /nfs/dbraw/zinc/76/52/51/599765251.db2.gz SJVFCANQILQYNS-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237705726 599768013 /nfs/dbraw/zinc/76/80/13/599768013.db2.gz NOVRVXYRBGLTNM-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000238032884 599768078 /nfs/dbraw/zinc/76/80/78/599768078.db2.gz WJNBZGKMPQTNMD-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM Cc1ccc(-c2cc(CN[C@H](C(=O)[O-])c3ccccc3)on2)cc1 ZINC000324419721 599781027 /nfs/dbraw/zinc/78/10/27/599781027.db2.gz MZVHXUPZUNSYSG-SFHVURJKSA-N -1 0 322.364 3.566 20 0 DHADRM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000736699072 599787861 /nfs/dbraw/zinc/78/78/61/599787861.db2.gz QWJGKTOEXBOKPF-SECBINFHSA-N -1 0 306.264 3.581 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000740125403 599796336 /nfs/dbraw/zinc/79/63/36/599796336.db2.gz AGOLCZUKBZMDFC-UHFFFAOYSA-N -1 0 324.355 3.564 20 0 DHADRM CCn1c2ccccc2nc1SCc1cc(C(=O)[O-])co1 ZINC000737299070 599801946 /nfs/dbraw/zinc/80/19/46/599801946.db2.gz HQRDJESKTPANRS-UHFFFAOYSA-N -1 0 302.355 3.640 20 0 DHADRM Cc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000738582977 599802055 /nfs/dbraw/zinc/80/20/55/599802055.db2.gz NSIVPQZAGKBTIS-ALCCZGGFSA-N -1 0 312.350 3.574 20 0 DHADRM CC(C)COc1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000387015527 599803586 /nfs/dbraw/zinc/80/35/86/599803586.db2.gz HNKFKXHTSCRMIA-UHFFFAOYSA-N -1 0 319.382 3.733 20 0 DHADRM CC(C)Cc1ccc(CC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000736453629 599804276 /nfs/dbraw/zinc/80/42/76/599804276.db2.gz MBXHNRUCIHHJFP-UHFFFAOYSA-N -1 0 317.410 3.826 20 0 DHADRM C[C@H](NC(=S)Nc1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000736660953 599806130 /nfs/dbraw/zinc/80/61/30/599806130.db2.gz RAGUELVWVHPXNS-VIFPVBQESA-N -1 0 321.427 3.886 20 0 DHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Oc1ccc(Cl)c2ccccc12 ZINC000736385482 599806487 /nfs/dbraw/zinc/80/64/87/599806487.db2.gz PVSINSTVCKVXBH-CQSZACIVSA-N -1 0 321.760 3.691 20 0 DHADRM CCCCCc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000736992250 599809528 /nfs/dbraw/zinc/80/95/28/599809528.db2.gz ZVSVVJSBOFJJAU-OAHLLOKOSA-N -1 0 306.406 3.650 20 0 DHADRM CC(C)c1nc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000736524319 599811056 /nfs/dbraw/zinc/81/10/56/599811056.db2.gz AMBIPVBHJNPTNX-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000013426106 599819301 /nfs/dbraw/zinc/81/93/01/599819301.db2.gz OMVVRUGLVPHSHH-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)(C)CCCCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736248170 599819851 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316.357 3.982 20 0 DHADRM CC(C)OCc1cccc(N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000827033640 600743161 /nfs/dbraw/zinc/74/31/61/600743161.db2.gz NCCWOXPMAKDXDD-QGZVFWFLSA-N -1 0 317.360 3.989 20 0 DHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000315394817 600744801 /nfs/dbraw/zinc/74/48/01/600744801.db2.gz NVGPSKUAPSCYNF-MNOVXSKESA-N -1 0 308.353 3.614 20 0 DHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000736942017 600744871 /nfs/dbraw/zinc/74/48/71/600744871.db2.gz RXEBJGLTNFGFIK-NEPJUHHUSA-N -1 0 305.378 3.867 20 0 DHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000391409973 600746143 /nfs/dbraw/zinc/74/61/43/600746143.db2.gz UCVLMKPNYZPNHK-CZUORRHYSA-N -1 0 318.417 3.794 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccncc2F)s1 ZINC000736293943 600772593 /nfs/dbraw/zinc/77/25/93/600772593.db2.gz IFFYINPHIVZQMQ-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c(C(=O)[O-])c1 ZINC000832942256 600787077 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O=C([O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)s1 ZINC000314520547 600899772 /nfs/dbraw/zinc/89/97/72/600899772.db2.gz UEKIVYIJSMXXAK-UHFFFAOYSA-N -1 0 315.394 3.506 20 0 DHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])s3)cc2C1 ZINC000035425008 600901612 /nfs/dbraw/zinc/90/16/12/600901612.db2.gz ANUZOISXARRSQR-QMMMGPOBSA-N -1 0 321.423 3.885 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(s2)CCCC3)s1 ZINC000035426310 600903601 /nfs/dbraw/zinc/90/36/01/600903601.db2.gz LPMGVDYTZDXRHA-UHFFFAOYSA-N -1 0 307.396 3.639 20 0 DHADRM CC(C)CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CCCC1 ZINC000317116628 600915188 /nfs/dbraw/zinc/91/51/88/600915188.db2.gz QHZAYCVRATYCDN-CABCVRRESA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)C(=O)[O-] ZINC000317643559 600920758 /nfs/dbraw/zinc/92/07/58/600920758.db2.gz YXVHCBHJOGHQMX-NSHDSACASA-N -1 0 323.389 3.517 20 0 DHADRM CCC(CC)(NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000342555650 600928832 /nfs/dbraw/zinc/92/88/32/600928832.db2.gz 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ZINC000832887592 600943899 /nfs/dbraw/zinc/94/38/99/600943899.db2.gz OINPDZAHBYYDDP-NSHDSACASA-N -1 0 302.301 3.750 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCC1CCCC1 ZINC000825941826 600945618 /nfs/dbraw/zinc/94/56/18/600945618.db2.gz FEKIYFTUBLHRNQ-UHFFFAOYSA-N -1 0 318.369 3.853 20 0 DHADRM CC(C)[C@@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000826677011 600946856 /nfs/dbraw/zinc/94/68/56/600946856.db2.gz NXRCKIWDTKHADA-GOSISDBHSA-N -1 0 312.365 3.659 20 0 DHADRM Cc1c2cccc(F)c2oc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000832853184 600951644 /nfs/dbraw/zinc/95/16/44/600951644.db2.gz DOAPAPLLUZUDFO-LBPRGKRZSA-N -1 0 308.305 3.536 20 0 DHADRM CC(C)C[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000826813782 600952039 /nfs/dbraw/zinc/95/20/39/600952039.db2.gz PVWAZAWQGVZIPB-LBPRGKRZSA-N -1 0 319.184 3.578 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000829311702 600955794 /nfs/dbraw/zinc/95/57/94/600955794.db2.gz IPVAPFQCDFXYEX-ZNMIVQPWSA-N -1 0 311.466 3.989 20 0 DHADRM O=C([O-])C[C@@H]1CN(Cc2cccc(Cl)c2)c2ccccc21 ZINC000134198938 600958540 /nfs/dbraw/zinc/95/85/40/600958540.db2.gz GWYHZBCKUPTHKL-CYBMUJFWSA-N -1 0 301.773 3.919 20 0 DHADRM O=C([O-])C[C@@H]1CN(Cc2cccc3cccnc32)c2ccccc21 ZINC000325198928 600960208 /nfs/dbraw/zinc/96/02/08/600960208.db2.gz HBRPRDZDDZMQSH-MRXNPFEDSA-N -1 0 318.376 3.813 20 0 DHADRM C[C@@H]1CCCC[C@@H]1OCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736782219 600962704 /nfs/dbraw/zinc/96/27/04/600962704.db2.gz BURHPIQDGXPUPL-VKJFTORMSA-N -1 0 317.429 3.660 20 0 DHADRM Cc1cc(NC(=O)c2cccc(F)c2Cl)sc1C(=O)[O-] ZINC000147220803 600965333 /nfs/dbraw/zinc/96/53/33/600965333.db2.gz KUTWHLLGPROSCD-UHFFFAOYSA-N -1 0 313.737 3.800 20 0 DHADRM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C)c(C(=O)[O-])o2)s1 ZINC000737281237 600966399 /nfs/dbraw/zinc/96/63/99/600966399.db2.gz HQFVCOVOKKFRFJ-LLVKDONJSA-N -1 0 322.430 3.807 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000829237823 600967903 /nfs/dbraw/zinc/96/79/03/600967903.db2.gz 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ZINC000832915919 600998459 /nfs/dbraw/zinc/99/84/59/600998459.db2.gz JWTWJVBOXVCMJG-CYBMUJFWSA-N -1 0 324.380 3.672 20 0 DHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)[C@H]1Cc2ccccc21 ZINC000740202203 601000700 /nfs/dbraw/zinc/00/07/00/601000700.db2.gz BSEGBBGGNASBHV-KRWDZBQOSA-N -1 0 318.328 3.783 20 0 DHADRM CCCCCC[C@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736984530 601002547 /nfs/dbraw/zinc/00/25/47/601002547.db2.gz LTZSTXCOQYTWQV-AWEZNQCLSA-N -1 0 305.418 3.950 20 0 DHADRM Cc1ccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219106 601012204 /nfs/dbraw/zinc/01/22/04/601012204.db2.gz GSJGCNMWVFQNPI-HOCLYGCPSA-N -1 0 303.333 3.690 20 0 DHADRM O=C([O-])c1cc(NC(=O)N2CCC3(CCCC3)C2)ccc1Cl ZINC000319007873 601013341 /nfs/dbraw/zinc/01/33/41/601013341.db2.gz OMZFLIUMVMIKOA-UHFFFAOYSA-N -1 0 322.792 3.836 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736985268 601018893 /nfs/dbraw/zinc/01/88/93/601018893.db2.gz VERMXMGPCZHAGE-GDBMZVCRSA-N -1 0 305.418 3.877 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000833285626 601021483 /nfs/dbraw/zinc/02/14/83/601021483.db2.gz IZLVAHLVYSCVNJ-UHFFFAOYSA-N -1 0 317.389 3.965 20 0 DHADRM CC1(C)CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000828065008 601021867 /nfs/dbraw/zinc/02/18/67/601021867.db2.gz HTJDIVLEMMPUBZ-UHFFFAOYSA-N -1 0 305.378 3.821 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000829238466 601026474 /nfs/dbraw/zinc/02/64/74/601026474.db2.gz UODWHBDSJUUURI-KRWDZBQOSA-N -1 0 322.380 3.958 20 0 DHADRM O=C([O-])CCN(C(=O)C1CCCCCCC1)c1cccc(F)c1 ZINC000739711440 601027076 /nfs/dbraw/zinc/02/70/76/601027076.db2.gz KWAOXQASBZZYIW-UHFFFAOYSA-N -1 0 321.392 3.994 20 0 DHADRM Cc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)sc1C ZINC000738327724 601027453 /nfs/dbraw/zinc/02/74/53/601027453.db2.gz NFWCNXOXLUOFJP-UHFFFAOYSA-N -1 0 321.373 3.626 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000827682075 601029979 /nfs/dbraw/zinc/02/99/79/601029979.db2.gz UHKDGDMVUXYPAB-GFCCVEGCSA-N -1 0 319.405 3.891 20 0 DHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828735834 601030201 /nfs/dbraw/zinc/03/02/01/601030201.db2.gz DHKOLYLJHGRVIW-RYUDHWBXSA-N -1 0 307.394 3.747 20 0 DHADRM Cc1cc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832895192 601041100 /nfs/dbraw/zinc/04/11/00/601041100.db2.gz UHDWFWWGRIOPND-YPMHNXCESA-N -1 0 304.390 3.736 20 0 DHADRM C[C@H](Oc1ccc(C(=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000827884514 601055034 /nfs/dbraw/zinc/05/50/34/601055034.db2.gz OHIHXBLUVQLEIM-VIFPVBQESA-N -1 0 316.338 3.636 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000676003765 601057214 /nfs/dbraw/zinc/05/72/14/601057214.db2.gz VGEYGHRJQSPCIR-UHFFFAOYSA-N -1 0 307.733 3.511 20 0 DHADRM CC(C)=CC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826647729 601060691 /nfs/dbraw/zinc/06/06/91/601060691.db2.gz LNPSXEAFAUGZFC-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000237453831 601065263 /nfs/dbraw/zinc/06/52/63/601065263.db2.gz LANQVFKEFNQKRO-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM Cc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1C(=O)[O-] ZINC000832944080 601067021 /nfs/dbraw/zinc/06/70/21/601067021.db2.gz UXFARMWPIXAJDA-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM O=C([O-])[C@H](CNC(=O)CCCC1CCCCC1)c1ccccc1 ZINC000320216218 601072455 /nfs/dbraw/zinc/07/24/55/601072455.db2.gz YNLANWMQKAAURH-QGZVFWFLSA-N -1 0 317.429 3.722 20 0 DHADRM CCc1sc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000830403069 601072575 /nfs/dbraw/zinc/07/25/75/601072575.db2.gz JOFDCMRWPKHPFR-CQSZACIVSA-N -1 0 322.357 3.741 20 0 DHADRM CC(C)(C)c1nc(NC(=O)CCC(C)(F)F)sc1C(=O)[O-] ZINC000827603158 601077087 /nfs/dbraw/zinc/07/70/87/601077087.db2.gz GQCGWSDEWNCEBE-UHFFFAOYSA-N -1 0 320.361 3.513 20 0 DHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CC1=CCCCC1 ZINC000833177418 601080525 /nfs/dbraw/zinc/08/05/25/601080525.db2.gz NJTWJIXKYRUNQH-DLBZAZTESA-N -1 0 319.445 3.759 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000740215341 601087076 /nfs/dbraw/zinc/08/70/76/601087076.db2.gz YQDILBBQUYDEAL-HNNXBMFYSA-N -1 0 315.756 3.625 20 0 DHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000321115817 601089878 /nfs/dbraw/zinc/08/98/78/601089878.db2.gz GWGGGBLGAACPJZ-CHWSQXEVSA-N -1 0 318.417 3.559 20 0 DHADRM CCC[C@H](CC)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000317114824 601095064 /nfs/dbraw/zinc/09/50/64/601095064.db2.gz QDPRYNRMHSQREC-ZDUSSCGKSA-N -1 0 306.406 3.749 20 0 DHADRM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390924116 601095662 /nfs/dbraw/zinc/09/56/62/601095662.db2.gz FJNYOFVMKMQDOI-QWHCGFSZSA-N -1 0 320.433 3.995 20 0 DHADRM CCC(CC)N(C(=O)Nc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000828859378 601128910 /nfs/dbraw/zinc/12/89/10/601128910.db2.gz ZVWLZRMBJZVWQK-UHFFFAOYSA-N -1 0 308.353 3.709 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000391077886 601131903 /nfs/dbraw/zinc/13/19/03/601131903.db2.gz RZRJHACUUNUBNI-AWEZNQCLSA-N -1 0 318.417 3.749 20 0 DHADRM Cc1ccc(NC(=O)c2cc(C)c(F)cc2F)c(C(=O)[O-])c1 ZINC000318031652 601137007 /nfs/dbraw/zinc/13/70/07/601137007.db2.gz QUPPLIJAFYRGRW-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(F)cc1F ZINC000391370119 601137395 /nfs/dbraw/zinc/13/73/95/601137395.db2.gz IVHCTTRRZMRTOM-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM Cc1ccc(N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000832934399 601153486 /nfs/dbraw/zinc/15/34/86/601153486.db2.gz DCHLLQVSRUBLJC-LSDHHAIUSA-N -1 0 303.402 3.627 20 0 DHADRM Cc1ccc(C)c(N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)c1 ZINC000832925919 601153518 /nfs/dbraw/zinc/15/35/18/601153518.db2.gz JDHPDWHDXCEDJE-JKSUJKDBSA-N -1 0 317.429 3.936 20 0 DHADRM Cc1cccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)c1 ZINC000832969526 601153520 /nfs/dbraw/zinc/15/35/20/601153520.db2.gz KUASQNKXGRGFOR-HUUCEWRRSA-N -1 0 303.402 3.627 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000237652832 601171885 /nfs/dbraw/zinc/17/18/85/601171885.db2.gz FNXNQCVNWLVOOC-CZUORRHYSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827828215 601185779 /nfs/dbraw/zinc/18/57/79/601185779.db2.gz XQZFWIUCLLUCTG-CYZMBNFOSA-N -1 0 310.777 3.835 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828747647 601191487 /nfs/dbraw/zinc/19/14/87/601191487.db2.gz RSEJGVXHRBTRLE-LBPRGKRZSA-N -1 0 307.394 3.701 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000326579449 601207852 /nfs/dbraw/zinc/20/78/52/601207852.db2.gz ARGJFWQUKNWDCO-QWHCGFSZSA-N -1 0 323.352 3.643 20 0 DHADRM Cc1ccc(C)c(OCCNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832925736 601250546 /nfs/dbraw/zinc/25/05/46/601250546.db2.gz TVVVGICDMDYDIT-UHFFFAOYSA-N -1 0 314.385 3.562 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828201694 601266916 /nfs/dbraw/zinc/26/69/16/601266916.db2.gz UYSXUAKADCKTIT-XUJVJEKNSA-N -1 0 302.374 3.570 20 0 DHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000825778249 601279041 /nfs/dbraw/zinc/27/90/41/601279041.db2.gz JYCWHTILAQDUEX-DYVFJYSZSA-N -1 0 324.380 3.795 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000827042213 601281204 /nfs/dbraw/zinc/28/12/04/601281204.db2.gz MKGHYBLPLAZRDL-LBPRGKRZSA-N -1 0 319.401 3.937 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(C)(C)C ZINC000829333458 601287911 /nfs/dbraw/zinc/28/79/11/601287911.db2.gz MRAPNFIHKOZIJJ-AWEZNQCLSA-N -1 0 306.406 3.505 20 0 DHADRM C/C=C(/C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236710293 601289679 /nfs/dbraw/zinc/28/96/79/601289679.db2.gz BBIWEFOFZAOZLI-NYXMJBRJSA-N -1 0 303.402 3.582 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000237735108 601295080 /nfs/dbraw/zinc/29/50/80/601295080.db2.gz PJWFCAMPEYQFEL-DYVFJYSZSA-N -1 0 303.402 3.535 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H]1CCCc2ccccc21 ZINC000262078368 601305592 /nfs/dbraw/zinc/30/55/92/601305592.db2.gz JTUJDISAPZHCJU-OAHLLOKOSA-N -1 0 317.429 3.646 20 0 DHADRM Cc1cccc([C@H](NC(=O)CCCN(C)C(=O)[O-])C(C)(C)C)c1 ZINC000832964109 601331336 /nfs/dbraw/zinc/33/13/36/601331336.db2.gz CXHDBHUDKOZLPE-INIZCTEOSA-N -1 0 320.433 3.588 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CCCN(C)C(=O)[O-])C(C)(C)C)c1 ZINC000832964110 601331421 /nfs/dbraw/zinc/33/14/21/601331421.db2.gz CXHDBHUDKOZLPE-MRXNPFEDSA-N -1 0 320.433 3.588 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000833286899 601333331 /nfs/dbraw/zinc/33/33/31/601333331.db2.gz YUVAMBRSLCCKIX-RISCZKNCSA-N -1 0 303.362 3.573 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828199825 601335381 /nfs/dbraw/zinc/33/53/81/601335381.db2.gz AGNLKAFJIHTUSL-UEKVPHQBSA-N -1 0 320.364 3.709 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828202005 601336424 /nfs/dbraw/zinc/33/64/24/601336424.db2.gz ZSKHZARYRZECBR-HFAKWTLXSA-N -1 0 320.364 3.709 20 0 DHADRM O=C([O-])c1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000833323788 601343954 /nfs/dbraw/zinc/34/39/54/601343954.db2.gz ICATZHTUHYBARO-UHFFFAOYSA-N -1 0 313.284 3.758 20 0 DHADRM COc1cccc(-c2nc(CS[C@H](C)C(=O)[O-])cs2)c1 ZINC000739942944 601345147 /nfs/dbraw/zinc/34/51/47/601345147.db2.gz NEAISBLJONISNQ-SECBINFHSA-N -1 0 309.412 3.525 20 0 DHADRM C[C@H](SCCCOc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000827908985 601345281 /nfs/dbraw/zinc/34/52/81/601345281.db2.gz PMQLCXYEBOCSOI-VIFPVBQESA-N -1 0 308.321 3.681 20 0 DHADRM CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000739498355 601346049 /nfs/dbraw/zinc/34/60/49/601346049.db2.gz SRILPKWBTFHQBX-JTQLQIEISA-N -1 0 323.439 3.915 20 0 DHADRM O=C([O-])Nc1ccccc1OCc1ccn(-c2ccccc2)n1 ZINC000833287098 601368166 /nfs/dbraw/zinc/36/81/66/601368166.db2.gz ABWITLXUFLNWFC-UHFFFAOYSA-N -1 0 309.325 3.541 20 0 DHADRM CCc1ccc(NC(=S)NC(CC)(CC)CC(=O)[O-])cc1 ZINC000830253741 601378669 /nfs/dbraw/zinc/37/86/69/601378669.db2.gz LRPJKFIITCSWKQ-UHFFFAOYSA-N -1 0 308.447 3.569 20 0 DHADRM C/C(=C/C(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000236642938 601388161 /nfs/dbraw/zinc/38/81/61/601388161.db2.gz IPADCNJZMJXNIS-BENRWUELSA-N -1 0 309.793 3.505 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(Br)ccc1C ZINC000235747659 601389777 /nfs/dbraw/zinc/38/97/77/601389777.db2.gz XBMQATKOSHYRCR-UHFFFAOYSA-N -1 0 324.174 3.969 20 0 DHADRM C/C(=C/COC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000825770504 601408139 /nfs/dbraw/zinc/40/81/39/601408139.db2.gz ZIVSCIFDIKUWTF-WQLSENKSSA-N -1 0 324.332 3.703 20 0 DHADRM Cc1cc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC000832870803 601410210 /nfs/dbraw/zinc/41/02/10/601410210.db2.gz MEBNYIYSNNLQTM-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1nc(C)cs1 ZINC000830368902 601416029 /nfs/dbraw/zinc/41/60/29/601416029.db2.gz DXKIQOSCZKLUKQ-LBPRGKRZSA-N -1 0 320.414 3.642 20 0 DHADRM C/C(=C/COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000825752991 601424441 /nfs/dbraw/zinc/42/44/41/601424441.db2.gz QAVRLSODGAQZPW-VHDZQUKYSA-N -1 0 310.349 3.517 20 0 DHADRM C/C(=C/COC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000825751986 601428411 /nfs/dbraw/zinc/42/84/11/601428411.db2.gz GVQJSYKKXSRELG-QBFSEMIESA-N -1 0 302.370 3.535 20 0 DHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000830157079 601430721 /nfs/dbraw/zinc/43/07/21/601430721.db2.gz FBQPPCGUHCWZDK-KBPBESRZSA-N -1 0 322.430 3.571 20 0 DHADRM CCc1nc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000567250157 601431448 /nfs/dbraw/zinc/43/14/48/601431448.db2.gz CBUYYWHPTLQWHX-UKRRQHHQSA-N -1 0 322.474 3.561 20 0 DHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829014921 601441732 /nfs/dbraw/zinc/44/17/32/601441732.db2.gz UNQYVQNTXMEUCN-LLVKDONJSA-N -1 0 319.382 3.551 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000825798695 601447675 /nfs/dbraw/zinc/44/76/75/601447675.db2.gz 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603206739 /nfs/dbraw/zinc/20/67/39/603206739.db2.gz STHYOYHNARIEBZ-NEPJUHHUSA-N -1 0 322.430 3.564 20 0 DHADRM Cc1cccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830511014 603212448 /nfs/dbraw/zinc/21/24/48/603212448.db2.gz CMLFCQHSNBGEHC-XJKSGUPXSA-N -1 0 312.369 3.579 20 0 DHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000739025023 603215097 /nfs/dbraw/zinc/21/50/97/603215097.db2.gz RUKFYDNBTBGZTE-SNVBAGLBSA-N -1 0 308.353 3.614 20 0 DHADRM Cc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000740129456 603222965 /nfs/dbraw/zinc/22/29/65/603222965.db2.gz IRHODUGZNOAOHO-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM Cc1ccccc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830587197 603244178 /nfs/dbraw/zinc/24/41/78/603244178.db2.gz TYWDPCJPQZFCOX-LBPRGKRZSA-N -1 0 313.357 3.968 20 0 DHADRM Cc1ccc(OC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830400879 603254340 /nfs/dbraw/zinc/25/43/40/603254340.db2.gz NTSMWAWPJCVWHC-BBRMVZONSA-N -1 0 313.353 3.545 20 0 DHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830203915 603272025 /nfs/dbraw/zinc/27/20/25/603272025.db2.gz BSWCKRINGFOVTL-QGZVFWFLSA-N -1 0 324.380 3.966 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738800259 603287632 /nfs/dbraw/zinc/28/76/32/603287632.db2.gz GQAQJUGCGPTOSN-CYBMUJFWSA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c(Cl)c1 ZINC000740698279 603301412 /nfs/dbraw/zinc/30/14/12/603301412.db2.gz CPWOLUIFZRSEEP-CQSZACIVSA-N -1 0 322.792 3.835 20 0 DHADRM Cc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000830316667 603301449 /nfs/dbraw/zinc/30/14/49/603301449.db2.gz BLSFYWSUYXZZCF-UHFFFAOYSA-N -1 0 312.369 3.632 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1NC(=O)[O-] ZINC000830182197 603306920 /nfs/dbraw/zinc/30/69/20/603306920.db2.gz UIWALXLVBHXTOR-FZMZJTMJSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@H](CC(=O)Nc1ccccc1SC1CCCC1)NC(=O)[O-] ZINC000824703667 603313895 /nfs/dbraw/zinc/31/38/95/603313895.db2.gz 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Cc1ccc(-c2nc(-c3ccsc3)no2)cc1NC(=O)[O-] ZINC000830154586 603409116 /nfs/dbraw/zinc/40/91/16/603409116.db2.gz IXBNYUYDQUPHMG-UHFFFAOYSA-N -1 0 301.327 3.863 20 0 DHADRM Cc1ccc(-c2nc(Cc3cccs3)no2)cc1NC(=O)[O-] ZINC000830160521 603409144 /nfs/dbraw/zinc/40/91/44/603409144.db2.gz RQLUORLUXQGECE-UHFFFAOYSA-N -1 0 315.354 3.787 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738808683 603431503 /nfs/dbraw/zinc/43/15/03/603431503.db2.gz XTJHDOYSOAWRNI-CQSZACIVSA-N -1 0 318.417 3.980 20 0 DHADRM CCC1(CC)CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000826649766 603470125 /nfs/dbraw/zinc/47/01/25/603470125.db2.gz KWIZXVNJHWGEDU-UHFFFAOYSA-N -1 0 305.378 3.821 20 0 DHADRM CN(Cc1ccccc1NC(=O)c1cccc2[nH]ccc21)C(=O)[O-] ZINC000828399758 603480313 /nfs/dbraw/zinc/48/03/13/603480313.db2.gz GBKGFKPSUFZDGE-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830709898 603480576 /nfs/dbraw/zinc/48/05/76/603480576.db2.gz VVPPWLMKQXZDFY-UHFFFAOYSA-N -1 0 320.370 3.884 20 0 DHADRM COc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)c(Cl)c1 ZINC000738093161 603482720 /nfs/dbraw/zinc/48/27/20/603482720.db2.gz VBXUWXBFFDLFAI-UHFFFAOYSA-N -1 0 321.716 3.658 20 0 DHADRM CC(C)(C)c1ncc(C(=O)Oc2cccc(NC(=O)[O-])c2)s1 ZINC000823865911 603484001 /nfs/dbraw/zinc/48/40/01/603484001.db2.gz ZVHMPTCKPCCUTD-UHFFFAOYSA-N -1 0 320.370 3.750 20 0 DHADRM Cc1nc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)sc1C ZINC000830756929 603495881 /nfs/dbraw/zinc/49/58/81/603495881.db2.gz JXBIZLDVKWRXJX-JTQLQIEISA-N -1 0 305.403 3.701 20 0 DHADRM Cc1cc(OC(C)C)ccc1NCc1ccc(NC(=O)[O-])nc1 ZINC000830129219 603539145 /nfs/dbraw/zinc/53/91/45/603539145.db2.gz OHAFMQDVNNGHFU-UHFFFAOYSA-N -1 0 315.373 3.879 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824470666 603563981 /nfs/dbraw/zinc/56/39/81/603563981.db2.gz SMSOBWFBNSAKRO-UHFFFAOYSA-N -1 0 318.417 3.872 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000825423516 603812035 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C[C@H](CC(=O)Nc1ccccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824703704 604283099 /nfs/dbraw/zinc/28/30/99/604283099.db2.gz PTTDIMVMNULAKK-VXGBXAGGSA-N -1 0 324.808 3.695 20 0 DHADRM CCc1ccccc1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827604129 604296981 /nfs/dbraw/zinc/29/69/81/604296981.db2.gz GHDRJWQOKLMIPB-HIFRSBDPSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1F ZINC000833310094 604305682 /nfs/dbraw/zinc/30/56/82/604305682.db2.gz MQULGRFNVJTHBE-UHFFFAOYSA-N -1 0 319.376 3.709 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828692244 604311023 /nfs/dbraw/zinc/31/10/23/604311023.db2.gz HJWDNSJNRGFXTP-SFHVURJKSA-N -1 0 315.344 3.579 20 0 DHADRM C[C@H](NC(=O)[O-])c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000825452287 604344584 /nfs/dbraw/zinc/34/45/84/604344584.db2.gz AAWKFMRQJREQPN-LURJTMIESA-N -1 0 300.742 3.931 20 0 DHADRM CC(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])=C1CCCC1 ZINC000825993948 604377258 /nfs/dbraw/zinc/37/72/58/604377258.db2.gz 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/nfs/dbraw/zinc/42/93/03/604429303.db2.gz GGHJIFWSILFZJY-UHFFFAOYSA-N -1 0 318.329 3.501 20 0 DHADRM CCc1oc(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1C ZINC000827679842 604429441 /nfs/dbraw/zinc/42/94/41/604429441.db2.gz FENDHROMHWQLBA-UHFFFAOYSA-N -1 0 318.329 3.501 20 0 DHADRM Cc1ccc(NC(=O)[O-])c(OCc2ncc(C(C)(C)C)o2)c1 ZINC000830390151 604440453 /nfs/dbraw/zinc/44/04/53/604440453.db2.gz IGHOZFDTVYSNOK-UHFFFAOYSA-N -1 0 304.346 3.949 20 0 DHADRM O=C([O-])c1occc1CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833345448 604454056 /nfs/dbraw/zinc/45/40/56/604454056.db2.gz BRQHCNVWDOEPLX-OAHLLOKOSA-N -1 0 321.323 3.983 20 0 DHADRM O=C([O-])c1ccoc1CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000833336788 604454628 /nfs/dbraw/zinc/45/46/28/604454628.db2.gz VANPRRDIYFQVGD-HNNXBMFYSA-N -1 0 321.323 3.983 20 0 DHADRM CC[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC000828943518 604474685 /nfs/dbraw/zinc/47/46/85/604474685.db2.gz NOYHLTDKEMQDLD-CABCVRRESA-N -1 0 320.433 3.572 20 0 DHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000826621417 604501774 /nfs/dbraw/zinc/50/17/74/604501774.db2.gz QDIYYXXFAMPVNU-UHFFFAOYSA-N -1 0 322.361 3.642 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829245870 604502366 /nfs/dbraw/zinc/50/23/66/604502366.db2.gz PHMPDBVLHPPHJP-ZYHUDNBSSA-N -1 0 310.419 3.879 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832973584 604507416 /nfs/dbraw/zinc/50/74/16/604507416.db2.gz DNQKKKRIOGIPIA-ZDUSSCGKSA-N -1 0 316.382 3.564 20 0 DHADRM CC(C)CN(C(=O)Nc1cc(C(=O)[O-])cs1)C1CCCC1 ZINC000826865098 604508593 /nfs/dbraw/zinc/50/85/93/604508593.db2.gz GOTARVMQHOKVSH-UHFFFAOYSA-N -1 0 310.419 3.879 20 0 DHADRM CC(C)(C)Oc1cccc(CNc2ccc(C(=O)[O-])cc2)n1 ZINC000833447267 604536885 /nfs/dbraw/zinc/53/68/85/604536885.db2.gz PAMHHNWQHXLJON-UHFFFAOYSA-N -1 0 300.358 3.569 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000827117695 604538281 /nfs/dbraw/zinc/53/82/81/604538281.db2.gz HOPWHWKQZDRRLE-UHFFFAOYSA-N 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NMTFBKNEYZXWLQ-ZNMIVQPWSA-N -1 0 307.434 3.591 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000621557365 605146788 /nfs/dbraw/zinc/14/67/88/605146788.db2.gz FJOWGNHLLKEYRG-HDJSIYSDSA-N -1 0 315.413 3.689 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000833606110 605147935 /nfs/dbraw/zinc/14/79/35/605147935.db2.gz NOSXJMHPELRGMM-OCCSQVGLSA-N -1 0 321.442 3.769 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000833606111 605148158 /nfs/dbraw/zinc/14/81/58/605148158.db2.gz NOSXJMHPELRGMM-TZMCWYRMSA-N -1 0 321.442 3.769 20 0 DHADRM CC(C)(C)C[C@H](Sc1ncccc1Br)C(=O)[O-] ZINC000833429565 605154251 /nfs/dbraw/zinc/15/42/51/605154251.db2.gz MMBLNSUZDMSCPE-VIFPVBQESA-N -1 0 318.236 3.826 20 0 DHADRM Cc1nc(C)c(CSCCOc2ccccc2C(=O)[O-])s1 ZINC000833754710 605159450 /nfs/dbraw/zinc/15/94/50/605159450.db2.gz DNXRCENZUIYQJF-UHFFFAOYSA-N -1 0 323.439 3.770 20 0 DHADRM CC(C)[C@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000833471463 605169068 /nfs/dbraw/zinc/16/90/68/605169068.db2.gz RMZPOSGDOFTCKC-AWEZNQCLSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833510585 605171197 /nfs/dbraw/zinc/17/11/97/605171197.db2.gz ZHGQBKXHVXZTAR-ONEGZZNKSA-N -1 0 324.380 3.945 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCC2 ZINC000833660540 605219981 /nfs/dbraw/zinc/21/99/81/605219981.db2.gz PJIVUELPJUONOE-HZPDHXFCSA-N -1 0 318.417 3.556 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]2CCCC[C@H]12 ZINC000833625947 605226349 /nfs/dbraw/zinc/22/63/49/605226349.db2.gz XZTROZVXKZJLQK-HCKVZZMMSA-N -1 0 320.364 3.566 20 0 DHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833641635 605230385 /nfs/dbraw/zinc/23/03/85/605230385.db2.gz KGHNPCZUTOKVDS-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000833429569 605238316 /nfs/dbraw/zinc/23/83/16/605238316.db2.gz MNLAYQIYUFBXGQ-LLVKDONJSA-N -1 0 302.729 3.525 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000826575350 605249468 /nfs/dbraw/zinc/24/94/68/605249468.db2.gz HLGPKXBIFFBNCY-UHFFFAOYSA-N -1 0 316.361 3.586 20 0 DHADRM CSCc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829755515 605253643 /nfs/dbraw/zinc/25/36/43/605253643.db2.gz XZRCFAUTURHTGF-UHFFFAOYSA-N -1 0 303.387 3.647 20 0 DHADRM CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000833651491 605257752 /nfs/dbraw/zinc/25/77/52/605257752.db2.gz MMWZZBFYVKBZRG-MRXNPFEDSA-N -1 0 317.429 3.804 20 0 DHADRM CCOc1cc(Cl)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237063657 605264020 /nfs/dbraw/zinc/26/40/20/605264020.db2.gz DYMFPUUIYAPLAT-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833514963 605274540 /nfs/dbraw/zinc/27/45/40/605274540.db2.gz HRYANWOVOMHLOQ-CYBMUJFWSA-N -1 0 316.353 3.680 20 0 DHADRM CC(C)(C)CCCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833429165 605280336 /nfs/dbraw/zinc/28/03/36/605280336.db2.gz BVHSJVXNLUHOFT-UHFFFAOYSA-N -1 0 311.357 3.863 20 0 DHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833609221 605281044 /nfs/dbraw/zinc/28/10/44/605281044.db2.gz RKNQLVOTKKTWNH-WDEREUQCSA-N -1 0 323.368 3.863 20 0 DHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833613311 605283191 /nfs/dbraw/zinc/28/31/91/605283191.db2.gz TZJLAHNQLUZLRF-HZMBPMFUSA-N -1 0 323.368 3.958 20 0 DHADRM COCCC[C@@H](C)C(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC000833725316 605289204 /nfs/dbraw/zinc/28/92/04/605289204.db2.gz STYSMGHRJHPPNK-GFCCVEGCSA-N -1 0 316.353 3.506 20 0 DHADRM CC(C)C[C@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000833480589 605293158 /nfs/dbraw/zinc/29/31/58/605293158.db2.gz PUCMAUWAMUHOHX-MCIGGMRASA-N -1 0 324.339 3.788 20 0 DHADRM CC[C@@H]1CN(C(=O)CCCC2CCCCC2)CC[C@@H]1NC(=O)[O-] ZINC000833847048 605343946 /nfs/dbraw/zinc/34/39/46/605343946.db2.gz GXYXKXBHAKFBHV-CVEARBPZSA-N -1 0 324.465 3.632 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000833386073 605417624 /nfs/dbraw/zinc/41/76/24/605417624.db2.gz WLFLXNALIJQIJS-WTQUMQLASA-N -1 0 323.392 3.731 20 0 DHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccnc2ccc(Cl)cc21 ZINC000825845770 605490857 /nfs/dbraw/zinc/49/08/57/605490857.db2.gz QXQUMEFCRCZGJL-ZYHUDNBSSA-N -1 0 319.792 3.513 20 0 DHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccnc2cc(Cl)ccc21 ZINC000825846181 605491303 /nfs/dbraw/zinc/49/13/03/605491303.db2.gz SVMIJSPAQSFSDB-JQWIXIFHSA-N -1 0 319.792 3.513 20 0 DHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)C1CC1 ZINC000833383478 605500233 /nfs/dbraw/zinc/50/02/33/605500233.db2.gz NXMCZEJVLDDMCF-DANTVBBOSA-N -1 0 312.724 3.504 20 0 DHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833660667 605503060 /nfs/dbraw/zinc/50/30/60/605503060.db2.gz QDBPNKIUZDSFBV-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000833431586 605524393 /nfs/dbraw/zinc/52/43/93/605524393.db2.gz RPHMYLWUAKIHJC-UHFFFAOYSA-N -1 0 311.381 3.826 20 0 DHADRM Cc1ccc(C)c(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830275504 605562700 /nfs/dbraw/zinc/56/27/00/605562700.db2.gz TWHCFNZJXHEHFU-INIZCTEOSA-N -1 0 312.369 3.641 20 0 DHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000832113569 605563716 /nfs/dbraw/zinc/56/37/16/605563716.db2.gz GLRVXZBCIGCIQO-AWEZNQCLSA-N -1 0 318.760 3.678 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000830395522 605571393 /nfs/dbraw/zinc/57/13/93/605571393.db2.gz GTSWAZHEANCLSE-UHFFFAOYSA-N -1 0 302.305 3.785 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)cc1NC(=O)[O-] ZINC000833902744 605572886 /nfs/dbraw/zinc/57/28/86/605572886.db2.gz NXRXAAJIYALGAE-LLVKDONJSA-N -1 0 304.390 3.593 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833639523 605578937 /nfs/dbraw/zinc/57/89/37/605578937.db2.gz VOZLHSSTOYWOAR-CHWSQXEVSA-N -1 0 318.417 3.606 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1NC(=O)[O-] ZINC000829970260 605585981 /nfs/dbraw/zinc/58/59/81/605585981.db2.gz DNCYFAXGZRSJAF-UHFFFAOYSA-N -1 0 319.386 3.917 20 0 DHADRM Cc1cc(C(=O)N(C2CC2)C2CCCC2)ccc1NC(=O)[O-] ZINC000829914299 605592931 /nfs/dbraw/zinc/59/29/31/605592931.db2.gz FFPANAPNCMFHGR-UHFFFAOYSA-N -1 0 302.374 3.632 20 0 DHADRM Cc1cc(C(=O)N(Cc2ccco2)C(C)C)ccc1NC(=O)[O-] ZINC000829920163 605596893 /nfs/dbraw/zinc/59/68/93/605596893.db2.gz WFTZFQMDPFYDDJ-UHFFFAOYSA-N -1 0 316.357 3.729 20 0 DHADRM Cc1cccc2c1N(C(=O)c1ccc(NC(=O)[O-])c(C)c1)CC2 ZINC000829934319 605625641 /nfs/dbraw/zinc/62/56/41/605625641.db2.gz KBEPSEFORFVHLY-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM Cc1cc(C(=O)N(C)c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829914522 605630046 /nfs/dbraw/zinc/63/00/46/605630046.db2.gz MHRDIIOVFZGJMI-UHFFFAOYSA-N -1 0 302.305 3.501 20 0 DHADRM Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1NC(=O)[O-] ZINC000829919516 605693225 /nfs/dbraw/zinc/69/32/25/605693225.db2.gz MOKNPNWFODJWON-XJKCOSOUSA-N -1 0 316.401 3.878 20 0 DHADRM CC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCCCC1 ZINC000833553179 605783233 /nfs/dbraw/zinc/78/32/33/605783233.db2.gz PLSBSYMSXXHMLZ-UHFFFAOYSA-N -1 0 311.328 3.962 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000833776671 605805030 /nfs/dbraw/zinc/80/50/30/605805030.db2.gz MSTXKMWWLZOWQR-KGLIPLIRSA-N -1 0 320.360 3.575 20 0 DHADRM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)c1ccccc1F ZINC000833409643 605815407 /nfs/dbraw/zinc/81/54/07/605815407.db2.gz PAESCOSWWWBVHP-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](c1cccc(O)c1)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833549947 605840657 /nfs/dbraw/zinc/84/06/57/605840657.db2.gz SQPWBGGPJJAJIG-NSHDSACASA-N -1 0 319.788 3.937 20 0 DHADRM Cc1scc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1C ZINC000833938149 605865478 /nfs/dbraw/zinc/86/54/78/605865478.db2.gz JHFGZUDGIXOMPR-UHFFFAOYSA-N -1 0 316.382 3.658 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833852486 605870628 /nfs/dbraw/zinc/87/06/28/605870628.db2.gz DXGCLZPGCJJXCK-OAHLLOKOSA-N -1 0 324.465 3.585 20 0 DHADRM C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000833545553 605915409 /nfs/dbraw/zinc/91/54/09/605915409.db2.gz TYHSSZBIIIMJMD-SECBINFHSA-N -1 0 316.407 3.924 20 0 DHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000833928132 605993745 /nfs/dbraw/zinc/99/37/45/605993745.db2.gz FORBKDTWQHZTPD-SECBINFHSA-N -1 0 317.345 3.514 20 0 DHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1 ZINC000833906014 606005295 /nfs/dbraw/zinc/00/52/95/606005295.db2.gz HCLIYMHYPIEAJY-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM O=C([O-])N1CCC[C@H](Nc2cccc(-c3nccs3)c2)CC1 ZINC000834107218 606014293 /nfs/dbraw/zinc/01/42/93/606014293.db2.gz OJPPIFJCUUEKOA-ZDUSSCGKSA-N -1 0 317.414 3.755 20 0 DHADRM O=C([O-])Nc1ccc(CNc2ccc(Br)cc2)cn1 ZINC000834259830 606015325 /nfs/dbraw/zinc/01/53/25/606015325.db2.gz HMZRHQGQBWJQIM-UHFFFAOYSA-N -1 0 322.162 3.546 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)CCCc1ccsc1 ZINC000834274034 606017918 /nfs/dbraw/zinc/01/79/18/606017918.db2.gz DHGUVEZZXZMNFT-UHFFFAOYSA-N -1 0 304.371 3.799 20 0 DHADRM O=C([O-])N1CCC[C@H](Nc2cccc(COCC3CC3)c2)CC1 ZINC000834109337 606037739 /nfs/dbraw/zinc/03/77/39/606037739.db2.gz YNZNKAWVVBLUFY-INIZCTEOSA-N -1 0 318.417 3.558 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)NC1(c2ccccc2)CCC1 ZINC000834272239 606044709 /nfs/dbraw/zinc/04/47/09/606044709.db2.gz OSLVVYXWIHXQHR-UHFFFAOYSA-N -1 0 324.380 3.515 20 0 DHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3)cc2)CCCCC1 ZINC000013168238 939030822 /nfs/dbraw/zinc/03/08/22/939030822.db2.gz DALPSIAWBFTYGE-UHFFFAOYSA-N -1 0 323.392 3.871 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000013168234 939030916 /nfs/dbraw/zinc/03/09/16/939030916.db2.gz JNNUSSJQQRSAGP-UHFFFAOYSA-N -1 0 316.184 3.511 20 0 DHADRM O=C([O-])[C@@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1 ZINC000191468075 939036374 /nfs/dbraw/zinc/03/63/74/939036374.db2.gz NLLGAAUURMJBHX-KRWDZBQOSA-N -1 0 311.381 3.662 20 0 DHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c(C)n1C(C)C ZINC000236707467 939044355 /nfs/dbraw/zinc/04/43/55/939044355.db2.gz 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O=C([O-])C1(NC(=O)c2ccsc2C(F)F)CCCCCC1 ZINC000923074307 939784701 /nfs/dbraw/zinc/78/47/01/939784701.db2.gz AOUMDTWJHDDGIJ-UHFFFAOYSA-N -1 0 317.357 3.593 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)s1 ZINC000648342168 939831971 /nfs/dbraw/zinc/83/19/71/939831971.db2.gz MYWIFARGWIAMQT-HNNXBMFYSA-N -1 0 317.410 3.537 20 0 DHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)sc1C ZINC000659162104 939848460 /nfs/dbraw/zinc/84/84/60/939848460.db2.gz MOPRQPAEAWZAFE-ZDUSSCGKSA-N -1 0 323.439 3.626 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cc2ccccc2o1 ZINC000663070363 939852544 /nfs/dbraw/zinc/85/25/44/939852544.db2.gz DVLOGAGDZQYABL-BZNIZROVSA-N -1 0 315.369 3.501 20 0 DHADRM Cc1cc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)ccc1C(=O)[O-] ZINC001600251771 970783518 /nfs/dbraw/zinc/78/35/18/970783518.db2.gz JZMSELZBOIBYKX-QAPCUYQASA-N -1 0 313.328 3.517 20 0 DHADRM Cc1cc(C)c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000322146464 970852565 /nfs/dbraw/zinc/85/25/65/970852565.db2.gz 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CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\C2CCCCCC2)C1 ZINC001589590815 949082099 /nfs/dbraw/zinc/08/20/99/949082099.db2.gz LBKMSHLEPSYOHS-RXQFDZFGSA-N -1 0 307.434 3.616 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001589591861 949097020 /nfs/dbraw/zinc/09/70/20/949097020.db2.gz SUAQNPCPMAOQIS-SFHVURJKSA-N -1 0 309.450 3.696 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC001602795477 971556612 /nfs/dbraw/zinc/55/66/12/971556612.db2.gz FQKHSICPQQSMHV-CHWSQXEVSA-N -1 0 311.381 3.613 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 ZINC001595221601 949258900 /nfs/dbraw/zinc/25/89/00/949258900.db2.gz UXEUQPRBPYRXKQ-UHFFFAOYSA-N -1 0 321.376 3.615 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589612598 949338364 /nfs/dbraw/zinc/33/83/64/949338364.db2.gz UNOXIEAWKVLYKE-GOSISDBHSA-N -1 0 307.434 3.616 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc3c(c2)CCC=C3)cc1 ZINC001595233626 949374535 /nfs/dbraw/zinc/37/45/35/949374535.db2.gz 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ZINC001589638054 949639511 /nfs/dbraw/zinc/63/95/11/949639511.db2.gz WTRWGHQSXRBJBV-GDBMZVCRSA-N -1 0 317.429 3.650 20 0 DHADRM CCCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C(C)C ZINC001589638837 949645910 /nfs/dbraw/zinc/64/59/10/949645910.db2.gz FTXRENMBESGECG-CVEARBPZSA-N -1 0 305.418 3.699 20 0 DHADRM CCCC[C@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CCC1 ZINC001589639704 949668814 /nfs/dbraw/zinc/66/88/14/949668814.db2.gz IWEBMHFZVWTHKL-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(C(C)(C)C)c(F)c1)C1CC1 ZINC001602814880 971611021 /nfs/dbraw/zinc/61/10/21/971611021.db2.gz HMNYSELIVOKADG-SNVBAGLBSA-N -1 0 322.380 3.593 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)c1csc(C2CCCCC2)c1 ZINC001589665441 949889107 /nfs/dbraw/zinc/88/91/07/949889107.db2.gz ZBESPQIYBRDAIM-UHFFFAOYSA-N -1 0 309.431 3.733 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237753722 949975449 /nfs/dbraw/zinc/97/54/49/949975449.db2.gz LVVSRCCNUPRAHG-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000683298865 1013098548 /nfs/dbraw/zinc/09/85/48/1013098548.db2.gz KVOKFLJXABYCGG-LLVKDONJSA-N -1 0 323.801 3.656 20 0 DHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000180520301 1013098818 /nfs/dbraw/zinc/09/88/18/1013098818.db2.gz FUIJJOZLTGPPPH-UHFFFAOYSA-N -1 0 321.373 3.528 20 0 DHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1cc(C)ccc1C ZINC001589703627 950252088 /nfs/dbraw/zinc/25/20/88/950252088.db2.gz JWTKGCXXHOVBOJ-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000263106360 950268600 /nfs/dbraw/zinc/26/86/00/950268600.db2.gz KPQVPQZMJJOGCD-CHWSQXEVSA-N -1 0 318.417 3.559 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589736830 950549932 /nfs/dbraw/zinc/54/99/32/950549932.db2.gz TYJJTMSBKCBCEM-HNNXBMFYSA-N -1 0 323.820 3.580 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001602854399 971703044 /nfs/dbraw/zinc/70/30/44/971703044.db2.gz HFQYYUABJIHEKD-CQSZACIVSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001602854428 971704227 /nfs/dbraw/zinc/70/42/27/971704227.db2.gz IAQVWGAVVIOCNC-RYUDHWBXSA-N -1 0 319.405 3.506 20 0 DHADRM O=C([O-])CC1(C(=O)OCc2ccc(Cl)cc2Cl)CCC1 ZINC001594978498 950957995 /nfs/dbraw/zinc/95/79/95/950957995.db2.gz RZPHUKPKQLXXHL-UHFFFAOYSA-N -1 0 317.168 3.682 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602854607 971705769 /nfs/dbraw/zinc/70/57/69/971705769.db2.gz PYYQXFDBQQXPIO-QPSCCSFWSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N(CC(=O)[O-])C2CCC2)CC1 ZINC001602854687 971706602 /nfs/dbraw/zinc/70/66/02/971706602.db2.gz SQVRGEVJXUMKGB-UHFFFAOYSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC001602860527 971716057 /nfs/dbraw/zinc/71/60/57/971716057.db2.gz DEZKJMQMRPRYQH-LBPRGKRZSA-N -1 0 321.348 3.581 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC001602860525 971716211 /nfs/dbraw/zinc/71/62/11/971716211.db2.gz DEZKJMQMRPRYQH-GFCCVEGCSA-N -1 0 321.348 3.581 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccccc1C(F)F)C(=O)[O-] ZINC001602860866 971716941 /nfs/dbraw/zinc/71/69/41/971716941.db2.gz GBWDRLVCUIWNGI-LBPRGKRZSA-N -1 0 313.344 3.634 20 0 DHADRM CC(C)(CCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000336838324 951130770 /nfs/dbraw/zinc/13/07/70/951130770.db2.gz MXVRLJPTYLBKHO-UHFFFAOYSA-N -1 0 319.188 3.616 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001595008500 951234122 /nfs/dbraw/zinc/23/41/22/951234122.db2.gz PGZDRJPXPFMZLL-GJZGRUSLSA-N -1 0 313.413 3.541 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC001595016243 951287322 /nfs/dbraw/zinc/28/73/22/951287322.db2.gz PXUBZYDOSADSTE-MRXNPFEDSA-N -1 0 324.465 3.633 20 0 DHADRM O=C([O-])CCCC(=O)Oc1ccc(-c2cccnc2)cc1Cl ZINC001595031155 951368865 /nfs/dbraw/zinc/36/88/65/951368865.db2.gz DGWALZQMNCYKMA-UHFFFAOYSA-N -1 0 319.744 3.562 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001592863302 951376532 /nfs/dbraw/zinc/37/65/32/951376532.db2.gz UZAWOMXBJGURTG-KDOFPFPSSA-N -1 0 320.385 3.581 20 0 DHADRM O=C([O-])CCCNc1oc(-c2ccccc2)nc1C(F)(F)F ZINC001595052275 951469621 /nfs/dbraw/zinc/46/96/21/951469621.db2.gz MEKSNDVMHYWSGI-UHFFFAOYSA-N -1 0 314.263 3.637 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@H](F)CC2CCCCC2)c1 ZINC001595130798 952033077 /nfs/dbraw/zinc/03/30/77/952033077.db2.gz PIQKYQQUPIGEQV-OAHLLOKOSA-N -1 0 307.365 3.561 20 0 DHADRM O=C([O-])Cc1cccc(NCc2cnc(-c3ccco3)s2)c1 ZINC001595138079 952066054 /nfs/dbraw/zinc/06/60/54/952066054.db2.gz INNPKUGQDREXIS-UHFFFAOYSA-N -1 0 314.366 3.642 20 0 DHADRM O=C([O-])[C@H]1C[C@@H](Nc2nc(-c3ccccc3)nc3ccccc32)C1 ZINC001595201594 952316427 /nfs/dbraw/zinc/31/64/27/952316427.db2.gz WJZVQTOUKFTSNG-OKILXGFUSA-N -1 0 319.364 3.572 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001602921291 971877728 /nfs/dbraw/zinc/87/77/28/971877728.db2.gz 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/nfs/dbraw/zinc/79/91/91/953799191.db2.gz KYBVAPWLSBVQCU-AWEZNQCLSA-N -1 0 316.382 3.719 20 0 DHADRM CCn1c2ccc(F)cc2nc1NCc1ccc(C(=O)[O-])cc1 ZINC001593662968 953808842 /nfs/dbraw/zinc/80/88/42/953808842.db2.gz FIVAOZWAHCRJHC-UHFFFAOYSA-N -1 0 313.332 3.506 20 0 DHADRM CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc(C)ccc1C ZINC000626769195 953816270 /nfs/dbraw/zinc/81/62/70/953816270.db2.gz UUSPAZOHTVYFQJ-HNNXBMFYSA-N -1 0 320.433 3.555 20 0 DHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC001589315099 953827580 /nfs/dbraw/zinc/82/75/80/953827580.db2.gz WOXKBCQFISCRPW-OLZOCXBDSA-N -1 0 316.401 3.675 20 0 DHADRM CCC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000630097771 953834837 /nfs/dbraw/zinc/83/48/37/953834837.db2.gz MCXKLMQMGVNTSX-HIFRSBDPSA-N -1 0 323.820 3.547 20 0 DHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(ccc4ccccc34)o2)C1 ZINC000630139520 953840120 /nfs/dbraw/zinc/84/01/20/953840120.db2.gz FSELWDNEYZELFC-IBGZPJMESA-N -1 0 323.348 3.523 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(C)c1Cl ZINC000630567165 953864164 /nfs/dbraw/zinc/86/41/64/953864164.db2.gz DZSHIWGXXNPGRY-WCQYABFASA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(C)c1Cl ZINC000630567167 953864734 /nfs/dbraw/zinc/86/47/34/953864734.db2.gz DZSHIWGXXNPGRY-YPMHNXCESA-N -1 0 324.808 3.531 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000630568250 953865739 /nfs/dbraw/zinc/86/57/39/953865739.db2.gz PIUNRVAUECXDIW-PWSUYJOCSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@H]1CCCN(C(=O)CC(C)(C)C2CCCCC2)[C@@H]1C(=O)[O-] ZINC001589325443 953902002 /nfs/dbraw/zinc/90/20/02/953902002.db2.gz FVCOPZHFVJELOR-BBRMVZONSA-N -1 0 309.450 3.695 20 0 DHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001593677926 953944131 /nfs/dbraw/zinc/94/41/31/953944131.db2.gz WMNFAXPAOMCYKE-JKSUJKDBSA-N -1 0 317.429 3.601 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001589347714 954061533 /nfs/dbraw/zinc/06/15/33/954061533.db2.gz HJJYLWIHKGVQSK-CXAGYDPISA-N -1 0 315.413 3.527 20 0 DHADRM CC[C@@H](C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653302398 954111776 /nfs/dbraw/zinc/11/17/76/954111776.db2.gz PZJHFVQQCPLHCF-ACJLOTCBSA-N -1 0 317.385 3.614 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC34CCC4)c2C(=O)[O-])C1 ZINC001589362837 954163031 /nfs/dbraw/zinc/16/30/31/954163031.db2.gz SFJBRVBJNODOGY-ONGXEEELSA-N -1 0 319.426 3.700 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653335795 954168013 /nfs/dbraw/zinc/16/80/13/954168013.db2.gz WZBOHOAXIVGWBZ-APHBMKBZSA-N -1 0 303.402 3.632 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000653534037 954181591 /nfs/dbraw/zinc/18/15/91/954181591.db2.gz VUACEKNBOVIRMY-HZSPNIEDSA-N -1 0 318.417 3.560 20 0 DHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC000655543969 954197126 /nfs/dbraw/zinc/19/71/26/954197126.db2.gz MKBHAYPYNZRLAL-LBPRGKRZSA-N -1 0 317.410 3.516 20 0 DHADRM CCC[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659118417 954308524 /nfs/dbraw/zinc/30/85/24/954308524.db2.gz WYULVUZNUKNSGN-DZGCQCFKSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])[C@]1(C(=O)Nc2ccc3sccc3c2)CC=CCC1 ZINC001594871179 954357502 /nfs/dbraw/zinc/35/75/02/954357502.db2.gz UPHYBJVTXKOILY-MRXNPFEDSA-N -1 0 301.367 3.651 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001593746114 954388522 /nfs/dbraw/zinc/38/85/22/954388522.db2.gz KISQYGHPXQNANT-UHFFFAOYSA-N -1 0 324.591 3.584 20 0 DHADRM C[C@H]1CCN(C(=O)c2cccc(C3CCCC3)c2)C[C@H]1C(=O)[O-] ZINC000663056812 954426776 /nfs/dbraw/zinc/42/67/76/954426776.db2.gz CRYWPPOQZIAVOS-SUMWQHHRSA-N -1 0 315.413 3.527 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663119296 954513291 /nfs/dbraw/zinc/51/32/91/954513291.db2.gz KXFWRENFOHILQJ-GFOFROLCSA-N -1 0 315.413 3.632 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000663119297 954513407 /nfs/dbraw/zinc/51/34/07/954513407.db2.gz KXFWRENFOHILQJ-OQUILHJVSA-N -1 0 315.413 3.632 20 0 DHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000663157163 954533790 /nfs/dbraw/zinc/53/37/90/954533790.db2.gz NPCKUNFTDYWCJV-INIZCTEOSA-N -1 0 309.365 3.608 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000668300168 954566882 /nfs/dbraw/zinc/56/68/82/954566882.db2.gz CQFXEFVFVLOBFM-KBXCAEBGSA-N -1 0 323.392 3.711 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669433923 954568322 /nfs/dbraw/zinc/56/83/22/954568322.db2.gz AHPMMYSUSCXHEA-WFASDCNBSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000683921631 954606882 /nfs/dbraw/zinc/60/68/82/954606882.db2.gz WSNFFHPMLBENPF-GFCCVEGCSA-N -1 0 312.797 3.741 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCC=C(C)C ZINC001589438959 954702700 /nfs/dbraw/zinc/70/27/00/954702700.db2.gz TWAAMWSDJUUTMO-AWEZNQCLSA-N -1 0 321.442 3.680 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001589451636 954804723 /nfs/dbraw/zinc/80/47/23/954804723.db2.gz JLZXUMIGWIBURX-CABCVRRESA-N -1 0 304.386 3.528 20 0 DHADRM CCC(C)(C)c1ccc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589451934 954807642 /nfs/dbraw/zinc/80/76/42/954807642.db2.gz NHDDMLDLTLNPLN-OAHLLOKOSA-N -1 0 319.445 3.737 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC001589473431 954933380 /nfs/dbraw/zinc/93/33/80/954933380.db2.gz CMWJOCTZEWIQOK-GFCCVEGCSA-N -1 0 303.402 3.632 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001589474303 954946960 /nfs/dbraw/zinc/94/69/60/954946960.db2.gz UINORFLONZYLSM-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CCC(CC)(CNC(=O)N[C@H](C)CC1CCCCC1)C(=O)[O-] ZINC001589497517 955019354 /nfs/dbraw/zinc/01/93/54/955019354.db2.gz CAYLBAQTMLLOJD-CYBMUJFWSA-N -1 0 312.454 3.536 20 0 DHADRM CC[C@@H](CNC(=O)N1CCC[C@@H]1CCC1CCCCC1)C(=O)[O-] ZINC001589525834 955114701 /nfs/dbraw/zinc/11/47/01/955114701.db2.gz FCCVRHTWJLGZTQ-JKSUJKDBSA-N -1 0 324.465 3.632 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000386825736 972083552 /nfs/dbraw/zinc/08/35/52/972083552.db2.gz SQHOUEYSXPGFHZ-SOFGYWHQSA-N -1 0 319.719 3.829 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C(F)=C/C1CCCCC1 ZINC000836716375 955559807 /nfs/dbraw/zinc/55/98/07/955559807.db2.gz UGSXQBLWJXRHBQ-UVTDQMKNSA-N -1 0 305.349 3.686 20 0 DHADRM CN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc2ccccc2c1 ZINC000846708635 955712536 /nfs/dbraw/zinc/71/25/36/955712536.db2.gz SFBYJPBMFSEUTL-IBGZPJMESA-N -1 0 309.365 3.614 20 0 DHADRM C[C@@H](Cc1ccccc1Cl)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589080688 955849860 /nfs/dbraw/zinc/84/98/60/955849860.db2.gz NCWBQFBZMZWXQP-JTQLQIEISA-N -1 0 320.776 3.576 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000852941627 955855155 /nfs/dbraw/zinc/85/51/55/955855155.db2.gz RUZDNJLWBQQBME-ROUUACIJSA-N -1 0 323.392 3.585 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000872957705 956064528 /nfs/dbraw/zinc/06/45/28/956064528.db2.gz RIQVIKDJNCUJIO-CLVCIHKQSA-N -1 0 315.413 3.726 20 0 DHADRM O=C([O-])c1ccccc1CN[C@@H](CCc1ccccc1)C(F)F ZINC000874043997 956103224 /nfs/dbraw/zinc/10/32/24/956103224.db2.gz ZXMMXIPMSSOXTN-INIZCTEOSA-N -1 0 319.351 3.741 20 0 DHADRM CC(C)[C@@H](NC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001603091770 972164724 /nfs/dbraw/zinc/16/47/24/972164724.db2.gz ADHKUEWABFAXPO-CQSZACIVSA-N -1 0 309.431 3.635 20 0 DHADRM CCCCN(C(=O)NCCCCC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000898834127 956264675 /nfs/dbraw/zinc/26/46/75/956264675.db2.gz CFGFNLARHNHMFI-AWEZNQCLSA-N -1 0 324.421 3.716 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-] ZINC000900347164 956295817 /nfs/dbraw/zinc/29/58/17/956295817.db2.gz TYQKIYPBJIKZFW-CYBMUJFWSA-N -1 0 316.357 3.548 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001589160321 956404059 /nfs/dbraw/zinc/40/40/59/956404059.db2.gz CHEAPGQCQABFRG-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM CC(C)c1nc(NCC2(C(=O)[O-])CCC2)cc(C(C)(C)C)n1 ZINC001603107106 972183909 /nfs/dbraw/zinc/18/39/09/972183909.db2.gz NOHDNMKMPSLCLI-UHFFFAOYSA-N -1 0 305.422 3.564 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(C3CC3)cc2F)o1 ZINC001594673213 956633918 /nfs/dbraw/zinc/63/39/18/956633918.db2.gz FESYPHPSHBGDAZ-YVMONPNESA-N -1 0 315.300 3.646 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc2occc2c1 ZINC001589207050 956672928 /nfs/dbraw/zinc/67/29/28/956672928.db2.gz SCLRMAWHTVYYMB-UHFFFAOYSA-N -1 0 301.342 3.508 20 0 DHADRM CC[C@H](CC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000902367294 956711016 /nfs/dbraw/zinc/71/10/16/956711016.db2.gz ZQIZREHGROSQHZ-CQSZACIVSA-N -1 0 311.381 3.585 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589225836 956792391 /nfs/dbraw/zinc/79/23/91/956792391.db2.gz KLALUXHAVRODTD-OAHLLOKOSA-N -1 0 303.402 3.608 20 0 DHADRM CC1(C)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC(C)(C)C1 ZINC001589226314 956799681 /nfs/dbraw/zinc/79/96/81/956799681.db2.gz KXRDNJJJJOIFFF-VURMDHGXSA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)OCc1cccc(C(F)F)c1 ZINC001594709812 956869471 /nfs/dbraw/zinc/86/94/71/956869471.db2.gz AJNZKVKPNSJBSG-UHFFFAOYSA-N -1 0 320.291 3.608 20 0 DHADRM CC1(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCCCC1 ZINC001589244307 956898141 /nfs/dbraw/zinc/89/81/41/956898141.db2.gz BERCDWSRLLQRKH-HNNXBMFYSA-N -1 0 324.465 3.633 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000011947778 956899169 /nfs/dbraw/zinc/89/91/69/956899169.db2.gz PPFVONMXIRQOCK-QWHCGFSZSA-N -1 0 303.402 3.814 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000013166699 956946639 /nfs/dbraw/zinc/94/66/39/956946639.db2.gz BIQMSXKPWINASE-UHFFFAOYSA-N -1 0 315.756 3.709 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000013095127 956946788 /nfs/dbraw/zinc/94/67/88/956946788.db2.gz QAOVUERAZJORDZ-UHFFFAOYSA-N -1 0 315.394 3.968 20 0 DHADRM COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000013095000 956947410 /nfs/dbraw/zinc/94/74/10/956947410.db2.gz DEYNFCTUUUCGPB-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM Cc1cccc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000904264297 956951015 /nfs/dbraw/zinc/95/10/15/956951015.db2.gz GUWWTDRUGVQQNJ-HNNXBMFYSA-N -1 0 318.442 3.665 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001594719944 956967295 /nfs/dbraw/zinc/96/72/95/956967295.db2.gz YRTHMMDCAGTDIZ-GVDBMIGSSA-N -1 0 315.413 3.535 20 0 DHADRM Cc1cccc(C)c1OCCSc1ncccc1C(=O)[O-] ZINC000013188990 956975415 /nfs/dbraw/zinc/97/54/15/956975415.db2.gz LHUAPPLQWLWDTC-UHFFFAOYSA-N -1 0 303.383 3.568 20 0 DHADRM C[C@@H](CN(C)C(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC000907585573 956976978 /nfs/dbraw/zinc/97/69/78/956976978.db2.gz FHQAHRBTFDUURX-NSHDSACASA-N -1 0 309.431 3.589 20 0 DHADRM CC1=C(C)C[C@](C)(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000907629855 956978378 /nfs/dbraw/zinc/97/83/78/956978378.db2.gz PLPGEEKZDSYMHX-MAUKXSAKSA-N -1 0 307.434 3.616 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000907618793 956979299 /nfs/dbraw/zinc/97/92/99/956979299.db2.gz WNISSOJUBXDQAL-HNNXBMFYSA-N -1 0 317.429 3.659 20 0 DHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000908946729 956996255 /nfs/dbraw/zinc/99/62/55/956996255.db2.gz PJHBIEXVSVVQCW-UHFFFAOYSA-N -1 0 322.792 3.503 20 0 DHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NCCCCCC(=O)[O-] ZINC000909086927 957003468 /nfs/dbraw/zinc/00/34/68/957003468.db2.gz QCTVXDBJXVQHDO-UHFFFAOYSA-N -1 0 322.792 3.505 20 0 DHADRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC000909480364 957021385 /nfs/dbraw/zinc/02/13/85/957021385.db2.gz BSRYGCNKKOKFIP-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSCc1cccs1 ZINC000013391344 957047550 /nfs/dbraw/zinc/04/75/50/957047550.db2.gz OXGLMLWEDPWMEJ-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM O=C([O-])c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000013413243 957055088 /nfs/dbraw/zinc/05/50/88/957055088.db2.gz BETNURNRLFZBNI-UHFFFAOYSA-N -1 0 318.197 3.659 20 0 DHADRM CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013980066 957095776 /nfs/dbraw/zinc/09/57/76/957095776.db2.gz VZWSTBKRBWNPMR-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000389728530 972243612 /nfs/dbraw/zinc/24/36/12/972243612.db2.gz IHAXUZWNILMDMQ-RBSFLKMASA-N -1 0 309.450 3.600 20 0 DHADRM Cc1sc(NC(=O)Cc2ccccc2C)c(C(=O)[O-])c1C ZINC000021037647 957147829 /nfs/dbraw/zinc/14/78/29/957147829.db2.gz WJISBNANDRFIFW-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM O=C([O-])c1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000033978144 957189330 /nfs/dbraw/zinc/18/93/30/957189330.db2.gz REAXVOZRFIGCTL-UHFFFAOYSA-N -1 0 317.213 3.692 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccc3c(c2)CCCO3)c1 ZINC001120371083 957200738 /nfs/dbraw/zinc/20/07/38/957200738.db2.gz PPONSOYCXBKCQB-UHFFFAOYSA-N -1 0 311.381 3.641 20 0 DHADRM Cc1oc(COc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000035431695 957211382 /nfs/dbraw/zinc/21/13/82/957211382.db2.gz PIHQPUWRMSYTCI-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM Cc1ccc(OCc2occc2C(=O)[O-])c(Br)c1 ZINC000035432480 957212400 /nfs/dbraw/zinc/21/24/00/957212400.db2.gz FCFDVSDAQMDDHQ-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000036137189 957226189 /nfs/dbraw/zinc/22/61/89/957226189.db2.gz UPKZWYWGNCLWIB-UHFFFAOYSA-N -1 0 321.707 3.525 20 0 DHADRM Cc1cc(COc2ccc(Br)cc2)oc1C(=O)[O-] ZINC000036810740 957236122 /nfs/dbraw/zinc/23/61/22/957236122.db2.gz LGKYFZQAYRBOER-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001122291830 957241513 /nfs/dbraw/zinc/24/15/13/957241513.db2.gz ONVODVRPXOUGES-DNVCBOLYSA-N -1 0 317.429 3.674 20 0 DHADRM Cc1cc(CNc2cccc(CCC(=O)[O-])c2)cc(Cl)n1 ZINC001261369983 957253562 /nfs/dbraw/zinc/25/35/62/957253562.db2.gz UHJRLORJBSTMOT-UHFFFAOYSA-N -1 0 304.777 3.673 20 0 DHADRM O=C([O-])c1cccc(NCc2cc(Br)ccc2F)c1 ZINC000037308096 957268592 /nfs/dbraw/zinc/26/85/92/957268592.db2.gz LOEZWBXAOITYOA-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM Cc1sc2ncnc(NCCCCCCC(=O)[O-])c2c1C ZINC000037308764 957269783 /nfs/dbraw/zinc/26/97/83/957269783.db2.gz NLQNYQONJIJPPL-UHFFFAOYSA-N -1 0 307.419 3.755 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2c(F)cccc2F)ccc1Cl ZINC000037403951 957275832 /nfs/dbraw/zinc/27/58/32/957275832.db2.gz QBPDFKOZILTNJU-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM Cc1cc(C)cc(OCCSc2ncccc2C(=O)[O-])c1 ZINC000037418691 957282354 /nfs/dbraw/zinc/28/23/54/957282354.db2.gz XFYBEZLSGVYVSB-UHFFFAOYSA-N -1 0 303.383 3.568 20 0 DHADRM COc1ccc(Cl)cc1CSc1ncccc1C(=O)[O-] ZINC000037417314 957282839 /nfs/dbraw/zinc/28/28/39/957282839.db2.gz BSMLCDVDTWXXBU-UHFFFAOYSA-N -1 0 309.774 3.734 20 0 DHADRM CSc1ccc(C)c(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000037451866 957298356 /nfs/dbraw/zinc/29/83/56/957298356.db2.gz CBUHNQWUCYGMNL-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CCc1sc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C ZINC000037454914 957300187 /nfs/dbraw/zinc/30/01/87/957300187.db2.gz PVHYMBLZWASZPC-UHFFFAOYSA-N -1 0 307.346 3.709 20 0 DHADRM Cc1cc(CSc2ncnc3ccccc32)oc1C(=O)[O-] ZINC000037715856 957320983 /nfs/dbraw/zinc/32/09/83/957320983.db2.gz GMGIJLMJQYMAGB-UHFFFAOYSA-N -1 0 300.339 3.522 20 0 DHADRM CN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040575143 957377275 /nfs/dbraw/zinc/37/72/75/957377275.db2.gz WEULDRWMXNSDKG-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM C[C@H](CCc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000044483012 957444877 /nfs/dbraw/zinc/44/48/77/957444877.db2.gz GLHFRYSBADIJKZ-LLVKDONJSA-N -1 0 304.777 3.866 20 0 DHADRM O=C([O-])c1nccnc1Sc1cc(Cl)ccc1Cl ZINC000054553849 957541623 /nfs/dbraw/zinc/54/16/23/957541623.db2.gz RFJJHMYUQCWIKD-UHFFFAOYSA-N -1 0 301.154 3.633 20 0 DHADRM Cc1ccccc1NC(=O)CSCc1cccc(C(=O)[O-])c1 ZINC000058235905 957556969 /nfs/dbraw/zinc/55/69/69/957556969.db2.gz SGEJUOOJVGNRPE-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM O=C([O-])C1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000058266146 957558446 /nfs/dbraw/zinc/55/84/46/957558446.db2.gz FXRRQONNHSDOPQ-UHFFFAOYSA-N -1 0 322.619 3.943 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000061835764 957589973 /nfs/dbraw/zinc/58/99/73/957589973.db2.gz SKZUTWJSPSEXLL-QMMMGPOBSA-N -1 0 321.320 3.738 20 0 DHADRM O=C([O-])c1ccc(F)c(CSc2nc3ccccc3[nH]2)c1 ZINC000062764989 957611676 /nfs/dbraw/zinc/61/16/76/957611676.db2.gz STGCRNWAQVEELR-UHFFFAOYSA-N -1 0 302.330 3.693 20 0 DHADRM O=C([O-])c1ccc(CNc2ccc(-c3nccs3)cc2)o1 ZINC000071396030 957723369 /nfs/dbraw/zinc/72/33/69/957723369.db2.gz XYEMUHZJYGEWCW-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)/C=C/c1ccccc1 ZINC000071725109 957729530 /nfs/dbraw/zinc/72/95/30/957729530.db2.gz DAFDJRNJIFDYIQ-VAWYXSNFSA-N -1 0 309.365 3.516 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)cc1Cl ZINC001594280836 957740342 /nfs/dbraw/zinc/74/03/42/957740342.db2.gz PQGAECFDYACENZ-UHFFFAOYSA-N -1 0 319.744 3.613 20 0 DHADRM COCc1cccc(OCC2(CS[C@H](C)C(=O)[O-])CCC2)c1 ZINC001594029289 957745204 /nfs/dbraw/zinc/74/52/04/957745204.db2.gz TXZHSHKQUHUBPK-CYBMUJFWSA-N -1 0 324.442 3.588 20 0 DHADRM Cc1c2ccccc2oc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594286142 957780306 /nfs/dbraw/zinc/78/03/06/957780306.db2.gz NSVMKJMZBNIRLD-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2c3ccccc3CC[C@H]2C)c1 ZINC001594286496 957784175 /nfs/dbraw/zinc/78/41/75/957784175.db2.gz QHCOQNLMDBAZHI-CYBMUJFWSA-N -1 0 309.365 3.675 20 0 DHADRM Cc1cc(C)c(CNC(=O)C2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC001594294009 957851560 /nfs/dbraw/zinc/85/15/60/957851560.db2.gz IRAPUJXXTROQJF-UHFFFAOYSA-N -1 0 317.429 3.653 20 0 DHADRM Cc1cc(C)c2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2n1 ZINC001594294272 957856339 /nfs/dbraw/zinc/85/63/39/957856339.db2.gz BRJXFOCQGXODME-HNNXBMFYSA-N -1 0 314.385 3.537 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001574807090 957859245 /nfs/dbraw/zinc/85/92/45/957859245.db2.gz FEJFVVOSUYLCRG-ZWKOTPCHSA-N -1 0 323.392 3.699 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000084146861 957860982 /nfs/dbraw/zinc/86/09/82/957860982.db2.gz CKNDFKHCCNYYFL-UHFFFAOYSA-N -1 0 310.781 3.639 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cccc3c2CCCC3)CCCC1 ZINC000390966495 972310347 /nfs/dbraw/zinc/31/03/47/972310347.db2.gz NENIXSIAHPSEDQ-UHFFFAOYSA-N -1 0 315.413 3.929 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2cccnc2c1C ZINC001594314796 958059620 /nfs/dbraw/zinc/05/96/20/958059620.db2.gz OXBSPNJWZISMPG-AWEZNQCLSA-N -1 0 314.385 3.537 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000339960154 1013167459 /nfs/dbraw/zinc/16/74/59/1013167459.db2.gz NFPDHQCYXBVFIS-GFCCVEGCSA-N -1 0 315.756 3.744 20 0 DHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccn1C(C)C ZINC001594324803 958152271 /nfs/dbraw/zinc/15/22/71/958152271.db2.gz HZNUNOINCQNWOB-UHFFFAOYSA-N -1 0 300.358 3.636 20 0 DHADRM Cc1ccc(-c2csc(CN([C@@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC001594335764 958263448 /nfs/dbraw/zinc/26/34/48/958263448.db2.gz JCMLBQCUYXWMNS-LBPRGKRZSA-N -1 0 316.426 3.556 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594349912 958341333 /nfs/dbraw/zinc/34/13/33/958341333.db2.gz QMBFCNFAMQHZNR-AWEZNQCLSA-N -1 0 303.402 3.597 20 0 DHADRM C[C@@](NC(=O)C[C@@H]1CCCCC1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603220642 972341872 /nfs/dbraw/zinc/34/18/72/972341872.db2.gz VGDDZCWOOTXWLC-KXBFYZLASA-N -1 0 317.429 3.709 20 0 DHADRM Cc1ccc(/C=C\CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001594353936 958392546 /nfs/dbraw/zinc/39/25/46/958392546.db2.gz VXDIFDZLPHVVFF-CHYADLBTSA-N -1 0 317.429 3.652 20 0 DHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC000037500808 1013176221 /nfs/dbraw/zinc/17/62/21/1013176221.db2.gz QRJRSIZWUILERV-SECBINFHSA-N -1 0 315.822 3.614 20 0 DHADRM Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(Cl)c1Cl ZINC001594369328 958529954 /nfs/dbraw/zinc/52/99/54/958529954.db2.gz JWRZVLZTWGULSL-AWEZNQCLSA-N -1 0 316.184 3.741 20 0 DHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCCC(=O)[O-] ZINC000655548414 1013179421 /nfs/dbraw/zinc/17/94/21/1013179421.db2.gz CPZGHNRKCRGNLZ-QGZVFWFLSA-N -1 0 319.445 3.810 20 0 DHADRM Cc1cccc(-c2nsc(NC3CCC(C(=O)[O-])CC3)n2)c1 ZINC001594386670 958681292 /nfs/dbraw/zinc/68/12/92/958681292.db2.gz URJYKYABNYWMLM-UHFFFAOYSA-N -1 0 317.414 3.569 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001573390570 958694698 /nfs/dbraw/zinc/69/46/98/958694698.db2.gz WWYILAVCTHEAFR-YVIISROCSA-N -1 0 315.413 3.701 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573391922 958708756 /nfs/dbraw/zinc/70/87/56/958708756.db2.gz ZRJJOGCZUGLSCY-LJISPDSOSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(Cl)s1 ZINC001594390875 958717936 /nfs/dbraw/zinc/71/79/36/958717936.db2.gz ITABAISJKMCAKT-UHFFFAOYSA-N -1 0 309.774 3.589 20 0 DHADRM Cc1cccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC001594398395 958801529 /nfs/dbraw/zinc/80/15/29/958801529.db2.gz WIHWLJHFAWLECV-QGZVFWFLSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1sc(N(C)Cc2ccc(Cl)s2)nc1C(=O)[O-] ZINC000137233419 958918591 /nfs/dbraw/zinc/91/85/91/958918591.db2.gz SQBCNYSMPHUAQH-UHFFFAOYSA-N -1 0 302.808 3.501 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001573463094 958926589 /nfs/dbraw/zinc/92/65/89/958926589.db2.gz YZTDOKSVRCQRBG-FLIBITNWSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cccc2sc(NC(=O)c3ccc(C(=O)[O-])cc3)nc21 ZINC001594413989 958982041 /nfs/dbraw/zinc/98/20/41/958982041.db2.gz QOQNCXIOOHJYPH-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)[C@H](C)C(=O)[O-])C1CCC(C)CC1 ZINC001594415916 959002746 /nfs/dbraw/zinc/00/27/46/959002746.db2.gz UFCLHZHOKWPGIN-ARMAHUPYSA-N -1 0 317.429 3.699 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001573509944 959089126 /nfs/dbraw/zinc/08/91/26/959089126.db2.gz XJTGRHHFZQASEN-KRWDZBQOSA-N -1 0 319.445 3.507 20 0 DHADRM CC(C)CC1(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1 ZINC001573516717 959102383 /nfs/dbraw/zinc/10/23/83/959102383.db2.gz FOFIDAFLMYNQPF-VURMDHGXSA-N -1 0 319.401 3.714 20 0 DHADRM CC(C)CCc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001573517941 959115395 /nfs/dbraw/zinc/11/53/95/959115395.db2.gz JTGTZQHOCQZNNV-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001573527808 959154756 /nfs/dbraw/zinc/15/47/56/959154756.db2.gz YQPGCYXZEWANNW-JTQLQIEISA-N -1 0 323.776 3.563 20 0 DHADRM CC(C)[C@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588570200 959179370 /nfs/dbraw/zinc/17/93/70/959179370.db2.gz OBYMDFAESGWPTC-DOMZBBRYSA-N -1 0 305.418 3.518 20 0 DHADRM CSc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594198062 959217074 /nfs/dbraw/zinc/21/70/74/959217074.db2.gz VJOHJSXHGYATOG-LBPRGKRZSA-N -1 0 321.442 3.621 20 0 DHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001594210365 959284701 /nfs/dbraw/zinc/28/47/01/959284701.db2.gz NMJBUTDWFWJUKP-BBBLOLIVSA-N -1 0 314.740 3.584 20 0 DHADRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1F ZINC001594211358 959290885 /nfs/dbraw/zinc/29/08/85/959290885.db2.gz JHOVMBTWVDQDOP-GLEZIHRCSA-N -1 0 314.740 3.584 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(C(C)(C)C)s1 ZINC001594215143 959321047 /nfs/dbraw/zinc/32/10/47/959321047.db2.gz FWNPJEHYWKFDKZ-GHMZBOCLSA-N -1 0 309.431 3.513 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573579795 959346933 /nfs/dbraw/zinc/34/69/33/959346933.db2.gz KQJWMMPXHAXYKI-BBRMVZONSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC001588596496 959374401 /nfs/dbraw/zinc/37/44/01/959374401.db2.gz HPFBEWPDZSNSCI-GFCCVEGCSA-N -1 0 301.342 3.509 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000183764427 959445454 /nfs/dbraw/zinc/44/54/54/959445454.db2.gz XWSJJFNJUIGUSS-UHFFFAOYSA-N -1 0 322.320 3.974 20 0 DHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1Cl ZINC001594234315 959496064 /nfs/dbraw/zinc/49/60/64/959496064.db2.gz FGPVJXWBYDBTCW-NSHDSACASA-N -1 0 309.793 3.552 20 0 DHADRM Cc1nc2ccccc2n1CCCCCSCCC(=O)[O-] ZINC001594464416 959496966 /nfs/dbraw/zinc/49/69/66/959496966.db2.gz FWACPAHVQZYYIA-UHFFFAOYSA-N -1 0 306.431 3.723 20 0 DHADRM CC(C)(C(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001588609814 959498893 /nfs/dbraw/zinc/49/88/93/959498893.db2.gz FUIMBMWRTPVMAV-UHFFFAOYSA-N -1 0 303.402 3.608 20 0 DHADRM C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000191137022 959541941 /nfs/dbraw/zinc/54/19/41/959541941.db2.gz UMNBOADCQMQVTO-PXAZEXFGSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1cc(Cl)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000191207477 959545241 /nfs/dbraw/zinc/54/52/41/959545241.db2.gz UATYUHBEJYPMMN-ZDUSSCGKSA-N -1 0 323.820 3.674 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C ZINC000191393383 959556326 /nfs/dbraw/zinc/55/63/26/959556326.db2.gz HODNRXONWDNHSK-NSHDSACASA-N -1 0 317.410 3.880 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccccc2CC(=O)[O-])C1(C)C ZINC001594245333 959560123 /nfs/dbraw/zinc/56/01/23/959560123.db2.gz KRVITKBZAVFEDW-SGTLLEGYSA-N -1 0 303.402 3.715 20 0 DHADRM CCC1(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCCC1 ZINC000191435721 959568500 /nfs/dbraw/zinc/56/85/00/959568500.db2.gz ONSJLCFBKCNBFP-ZDUSSCGKSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)C1CCCCCC1 ZINC000191526258 959577649 /nfs/dbraw/zinc/57/76/49/959577649.db2.gz BYRACZRJQPWRAV-QGZVFWFLSA-N -1 0 317.429 3.549 20 0 DHADRM Cc1ncoc1-c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001594475787 959596625 /nfs/dbraw/zinc/59/66/25/959596625.db2.gz WEYUZRVLXGBZEF-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1ncsc1CNc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594476502 959600418 /nfs/dbraw/zinc/60/04/18/959600418.db2.gz FZFHFCNWASPIET-UHFFFAOYSA-N -1 0 300.742 3.554 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001588639332 959674548 /nfs/dbraw/zinc/67/45/48/959674548.db2.gz NHJVZIFZFIREJJ-UHFFFAOYSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)onc1C1CCCCC1 ZINC001594259677 959685778 /nfs/dbraw/zinc/68/57/78/959685778.db2.gz UBQIMSWEYIERKZ-GFCCVEGCSA-N -1 0 322.405 3.716 20 0 DHADRM CC1(C)CC(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001573665372 959690916 /nfs/dbraw/zinc/69/09/16/959690916.db2.gz WUJGVPWRKMLXPU-UHFFFAOYSA-N -1 0 307.415 3.700 20 0 DHADRM CC1(C)[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001573678446 959732784 /nfs/dbraw/zinc/73/27/84/959732784.db2.gz MTGLOBXSFLJQLU-IRXDYDNUSA-N -1 0 323.392 3.554 20 0 DHADRM C[C@@H]1CC(C)(C)c2cccc(NCc3cc(C(=O)[O-])nn3C)c21 ZINC001573698419 959804960 /nfs/dbraw/zinc/80/49/60/959804960.db2.gz MBPCYWXJTLPTMG-LLVKDONJSA-N -1 0 313.401 3.515 20 0 DHADRM C[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573700319 959826894 /nfs/dbraw/zinc/82/68/94/959826894.db2.gz DKNHDEJGCUZKJP-SCZZXKLOSA-N -1 0 307.415 3.556 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573700321 959827078 /nfs/dbraw/zinc/82/70/78/959827078.db2.gz DKNHDEJGCUZKJP-WPRPVWTQSA-N -1 0 307.415 3.556 20 0 DHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000223859256 959843150 /nfs/dbraw/zinc/84/31/50/959843150.db2.gz HJLNETDZEBLIBU-SSDOTTSWSA-N -1 0 322.213 3.524 20 0 DHADRM Fc1ccc([S-])c(NCc2ccc(-c3ncon3)cc2)c1 ZINC001167117300 1013193605 /nfs/dbraw/zinc/19/36/05/1013193605.db2.gz GNJTWLBYEFDZCM-UHFFFAOYSA-N -1 0 301.346 3.777 20 0 DHADRM CC(C)(C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC000319876544 1013194792 /nfs/dbraw/zinc/19/47/92/1013194792.db2.gz TZYXVKZNRHWQTD-RAXLEYEMSA-N -1 0 309.365 3.701 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)n1 ZINC001588657916 960418974 /nfs/dbraw/zinc/41/89/74/960418974.db2.gz AHWADXUPIDMKGD-GFCCVEGCSA-N -1 0 324.446 3.561 20 0 DHADRM CSCc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001574257608 960544710 /nfs/dbraw/zinc/54/47/10/960544710.db2.gz RPVFVIASQRYEMY-UHFFFAOYSA-N -1 0 321.442 3.625 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001574286708 960663534 /nfs/dbraw/zinc/66/35/34/960663534.db2.gz ZQYAMSPIVKQANQ-CYBMUJFWSA-N -1 0 318.417 3.543 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236588265 960713947 /nfs/dbraw/zinc/71/39/47/960713947.db2.gz VNWLNGRYMJTUBF-CYBMUJFWSA-N -1 0 317.410 3.964 20 0 DHADRM CCC(CC)(CNC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573783762 960721403 /nfs/dbraw/zinc/72/14/03/960721403.db2.gz ZJYCYXRHIQEMMU-UHFFFAOYSA-N -1 0 319.445 3.534 20 0 DHADRM CCCCC[C@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-] ZINC000236641733 960721759 /nfs/dbraw/zinc/72/17/59/960721759.db2.gz LUIBNTNLJWVZRD-AWEZNQCLSA-N -1 0 311.447 3.529 20 0 DHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001573783871 960722298 /nfs/dbraw/zinc/72/22/98/960722298.db2.gz KQPKZLRSOIQAMY-OAHLLOKOSA-N -1 0 320.433 3.574 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H](C)CCc1ccccc1F)C(=O)[O-] ZINC000236654900 960725990 /nfs/dbraw/zinc/72/59/90/960725990.db2.gz FEGKEHVDMACMQC-BBRMVZONSA-N -1 0 323.408 3.544 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000236668624 960727145 /nfs/dbraw/zinc/72/71/45/960727145.db2.gz SFHWIYRYRSCWEP-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)c(F)c(C)c1 ZINC001574316597 960795193 /nfs/dbraw/zinc/79/51/93/960795193.db2.gz VHEMGTPVMOOHKP-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM Cc1cccc(C2(C(=O)N(C)CCCC(=O)[O-])CCCCC2)c1 ZINC000237253526 960893749 /nfs/dbraw/zinc/89/37/49/960893749.db2.gz SKLFQVJOMMJOPE-UHFFFAOYSA-N -1 0 317.429 3.520 20 0 DHADRM Cc1cc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(C)c1Cl ZINC001574338126 960919690 /nfs/dbraw/zinc/91/96/90/960919690.db2.gz AXLKKIQKWZCVLI-LBPRGKRZSA-N -1 0 312.797 3.578 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000237411975 960929637 /nfs/dbraw/zinc/92/96/37/960929637.db2.gz FTCDMQVUXYYKEQ-ZDUSSCGKSA-N -1 0 303.402 3.527 20 0 DHADRM Cc1cn(CC(=O)Nc2ccc(C(=O)[O-])cc2C)c2ccccc12 ZINC001319416583 960947942 /nfs/dbraw/zinc/94/79/42/960947942.db2.gz JEFDVHXLNPDJHU-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000237601026 960972607 /nfs/dbraw/zinc/97/26/07/960972607.db2.gz LHCYAJHDOHKEJB-IBGZPJMESA-N -1 0 309.365 3.618 20 0 DHADRM Cc1ccc([C@H](NCc2cccc(C(=O)[O-])c2)C(F)(F)F)o1 ZINC001574359740 961021950 /nfs/dbraw/zinc/02/19/50/961021950.db2.gz ZBTWCIQFRHDCEZ-ZDUSSCGKSA-N -1 0 313.275 3.679 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)C)cc1 ZINC001324012248 961024437 /nfs/dbraw/zinc/02/44/37/961024437.db2.gz UHWQKEOACQRGER-HOCLYGCPSA-N -1 0 305.418 3.699 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573836313 961055314 /nfs/dbraw/zinc/05/53/14/961055314.db2.gz PRPBNFVSVOYUBS-HNAYVOBHSA-N -1 0 319.445 3.608 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573841355 961080281 /nfs/dbraw/zinc/08/02/81/961080281.db2.gz QQYHNWLBOXWHBW-PAZCZOEESA-N -1 0 319.401 3.714 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCC[C@H](C)C1 ZINC001573843265 961097195 /nfs/dbraw/zinc/09/71/95/961097195.db2.gz XGMJEACXWJMLIF-CAOSSQGBSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238123758 961111625 /nfs/dbraw/zinc/11/16/25/961111625.db2.gz NMAZESJDEQHGLO-CABCVRRESA-N -1 0 323.820 3.595 20 0 DHADRM Cc1ccc2sc(N3C[C@@H](C(=O)[O-])CC[C@@H]3C)nc2c1C ZINC001574383714 961126046 /nfs/dbraw/zinc/12/60/46/961126046.db2.gz ITADXRSNHIFRGA-JQWIXIFHSA-N -1 0 304.415 3.603 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001588734744 961127908 /nfs/dbraw/zinc/12/79/08/961127908.db2.gz XKFOUGHUMQHSFI-SFHVURJKSA-N -1 0 317.385 3.614 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])cc2c1 ZINC001574384522 961128369 /nfs/dbraw/zinc/12/83/69/961128369.db2.gz NSGLKMDKQNABTH-XHDPSFHLSA-N -1 0 317.410 3.535 20 0 DHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CC=C(C(F)(F)F)CC1 ZINC001326813714 961129668 /nfs/dbraw/zinc/12/96/68/961129668.db2.gz YIWXENXVIBJNKT-LBPRGKRZSA-N -1 0 319.710 3.660 20 0 DHADRM Cc1ccc2sc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2c1 ZINC001574385112 961129790 /nfs/dbraw/zinc/12/97/90/961129790.db2.gz XHUGONFZDVZSHJ-UHFFFAOYSA-N -1 0 317.410 3.727 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1Cl ZINC001588739724 961158102 /nfs/dbraw/zinc/15/81/02/961158102.db2.gz OYFOKKFJGPVBDG-UHFFFAOYSA-N -1 0 323.820 3.574 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001588741077 961166668 /nfs/dbraw/zinc/16/66/68/961166668.db2.gz LCXXVBIVXCMBOX-SFHVURJKSA-N -1 0 302.370 3.701 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC001574390954 961179144 /nfs/dbraw/zinc/17/91/44/961179144.db2.gz GMBVDGJHUSNRGN-KRWDZBQOSA-N -1 0 311.381 3.674 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2cccc3ccccc32)C(=O)[O-])c1 ZINC001574391146 961180906 /nfs/dbraw/zinc/18/09/06/961180906.db2.gz ITBYRFYAPOALEU-GOSISDBHSA-N -1 0 319.360 3.704 20 0 DHADRM CCCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001573862660 961182113 /nfs/dbraw/zinc/18/21/13/961182113.db2.gz ZYYHRCOYFRRTMY-SFHVURJKSA-N -1 0 317.385 3.533 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1Cl ZINC001573864357 961183479 /nfs/dbraw/zinc/18/34/79/961183479.db2.gz GRFGESRVYTYILA-ABAIWWIYSA-N -1 0 323.820 3.618 20 0 DHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)C1CC(C)(C)C1 ZINC001573871859 961210455 /nfs/dbraw/zinc/21/04/55/961210455.db2.gz LIJIXOWVBYLTRX-UHFFFAOYSA-N -1 0 308.353 3.566 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CC(C2CC2)C2CC2)c1 ZINC001328659262 961219465 /nfs/dbraw/zinc/21/94/65/961219465.db2.gz HXVHPKMDRAXHCJ-NSHDSACASA-N -1 0 301.386 3.640 20 0 DHADRM Cc1nc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)c(C)s1 ZINC001328754387 961225196 /nfs/dbraw/zinc/22/51/96/961225196.db2.gz OMYYMMJYZMQIMS-UHFFFAOYSA-N -1 0 324.833 3.500 20 0 DHADRM CC(C)(CC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC001588758143 961233329 /nfs/dbraw/zinc/23/33/29/961233329.db2.gz UCRPGGHRYHDFEP-UHFFFAOYSA-N -1 0 311.337 3.569 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001574401503 961233791 /nfs/dbraw/zinc/23/37/91/961233791.db2.gz LBDRHXYRHQXRFU-INIZCTEOSA-N -1 0 315.413 3.619 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC3(CC3)CC2)cc1 ZINC001329808311 961309265 /nfs/dbraw/zinc/30/92/65/961309265.db2.gz BXKYOTWLIHCNNC-MRXNPFEDSA-N -1 0 315.413 3.597 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)s1 ZINC000683331947 1013250563 /nfs/dbraw/zinc/25/05/63/1013250563.db2.gz VXANCPZFUZMFRH-SNVBAGLBSA-N -1 0 317.410 3.880 20 0 DHADRM CCc1ccc([C@H](NC(=O)CCCCC(=O)[O-])C(C)C)cc1 ZINC000261975896 961402820 /nfs/dbraw/zinc/40/28/20/961402820.db2.gz QTLGSCVPBRHSRZ-GOSISDBHSA-N -1 0 305.418 3.707 20 0 DHADRM CC(C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)=C1CCCC1 ZINC001332104787 961460212 /nfs/dbraw/zinc/46/02/12/961460212.db2.gz UVZPAHDYLHVLGI-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC001588808336 961496791 /nfs/dbraw/zinc/49/67/91/961496791.db2.gz PIURYVFERDBYRB-SNVBAGLBSA-N -1 0 305.708 3.573 20 0 DHADRM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262221775 961567589 /nfs/dbraw/zinc/56/75/89/961567589.db2.gz ZEQBYVVDNBJQOF-QWHCGFSZSA-N -1 0 323.820 3.547 20 0 DHADRM CC(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001588815353 961567773 /nfs/dbraw/zinc/56/77/73/961567773.db2.gz NMMLEBFXYHDLDV-HNNXBMFYSA-N -1 0 312.369 3.548 20 0 DHADRM C[C@@]1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCCc2ccccc21 ZINC000262249358 961590973 /nfs/dbraw/zinc/59/09/73/961590973.db2.gz CYWMTRZFLCSAPA-HXUWFJFHSA-N -1 0 323.392 3.546 20 0 DHADRM Cc1cc(CN[C@@H](C)c2nc(C(C)(C)C)cs2)oc1C(=O)[O-] ZINC001333137646 961655597 /nfs/dbraw/zinc/65/55/97/961655597.db2.gz WIYFKPIHMNSGFA-JTQLQIEISA-N -1 0 322.430 3.891 20 0 DHADRM CCc1ccc(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1CC ZINC001573953689 961658200 /nfs/dbraw/zinc/65/82/00/961658200.db2.gz FAFWTTLHLGRCTQ-LJQANCHMSA-N -1 0 317.429 3.528 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262376751 961680928 /nfs/dbraw/zinc/68/09/28/961680928.db2.gz YEGOBXGCYSJOJM-RYUDHWBXSA-N -1 0 323.355 3.506 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c(F)c1 ZINC000262389313 961690815 /nfs/dbraw/zinc/69/08/15/961690815.db2.gz MNRIVUQGWPUHKX-MRXNPFEDSA-N -1 0 319.376 3.709 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCC[C@H](F)C2)cccc1C(=O)[O-] ZINC001333383608 961710261 /nfs/dbraw/zinc/71/02/61/961710261.db2.gz PDXHOMQPCBIOLK-NEPJUHHUSA-N -1 0 323.364 3.639 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262507018 961755117 /nfs/dbraw/zinc/75/51/17/961755117.db2.gz LMFYPYRCYYVKBN-LBPRGKRZSA-N -1 0 309.431 3.862 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1csc(C(C)C)n1 ZINC000262530517 961761315 /nfs/dbraw/zinc/76/13/15/961761315.db2.gz PMADBHOZNXEZDG-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000089986265 1013283835 /nfs/dbraw/zinc/28/38/35/1013283835.db2.gz LBAOGVAMNXWETF-TWGQIWQCSA-N -1 0 301.433 3.657 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC001588839061 961782188 /nfs/dbraw/zinc/78/21/88/961782188.db2.gz QUYJQEXILSVAPG-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)C1CCC(NC(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC001588840569 961790690 /nfs/dbraw/zinc/79/06/90/961790690.db2.gz AWGZBMXMDSLZJP-UHFFFAOYSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)[C@H]1CCC[C@@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001588842288 961816490 /nfs/dbraw/zinc/81/64/90/961816490.db2.gz XPIFGQRUEHILEW-FZMZJTMJSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262710386 961818686 /nfs/dbraw/zinc/81/86/86/961818686.db2.gz LMILGMUBEVXYMO-TUVASFSCSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1cc(Cl)c(C(=O)NCCCCCCC(=O)[O-])cc1C ZINC000262789937 961867659 /nfs/dbraw/zinc/86/76/59/961867659.db2.gz PNPYHQAXWXERTJ-UHFFFAOYSA-N -1 0 311.809 3.722 20 0 DHADRM CC(C)C[C@@H](C)N(C(=O)[C@H](C)C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001588846662 961884123 /nfs/dbraw/zinc/88/41/23/961884123.db2.gz XUCAAMSFNRXSNU-OLZOCXBDSA-N -1 0 316.401 3.656 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC000262817562 961884290 /nfs/dbraw/zinc/88/42/90/961884290.db2.gz AOHVUBAEWUHIBR-LBPRGKRZSA-N -1 0 313.353 3.652 20 0 DHADRM CN(Cc1ccc(Cl)cc1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574015985 961947820 /nfs/dbraw/zinc/94/78/20/961947820.db2.gz SARGYVDCMACWMQ-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)(C)CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262894608 961967204 /nfs/dbraw/zinc/96/72/04/961967204.db2.gz DEXFQOIPWSXGIB-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM Cc1ccc(CCCCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000262920593 962002992 /nfs/dbraw/zinc/00/29/92/962002992.db2.gz NYIDVJPSKOVDEW-UHFFFAOYSA-N -1 0 317.429 3.612 20 0 DHADRM COc1c(Cl)cc(NC2CC(CC(=O)[O-])C2)cc1Cl ZINC001339168692 962015095 /nfs/dbraw/zinc/01/50/95/962015095.db2.gz FVTIEDNYGBQEAW-UHFFFAOYSA-N -1 0 304.173 3.667 20 0 DHADRM CC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCCC1 ZINC000262965636 962050944 /nfs/dbraw/zinc/05/09/44/962050944.db2.gz OWHNZAOEGWXCFV-MRXNPFEDSA-N -1 0 315.413 3.558 20 0 DHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCCC1 ZINC000263029307 962142658 /nfs/dbraw/zinc/14/26/58/962142658.db2.gz UTPQHBHSPFAXRP-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)cc1 ZINC001343707723 962167604 /nfs/dbraw/zinc/16/76/04/962167604.db2.gz ZZHUHDHTYCUBPI-QGZVFWFLSA-N -1 0 317.429 3.988 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(C(F)F)c(F)c1 ZINC001574607580 962173954 /nfs/dbraw/zinc/17/39/54/962173954.db2.gz GYVNIHNFACCAQB-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000263113303 962264949 /nfs/dbraw/zinc/26/49/49/962264949.db2.gz JUQKIOPHXUEUQE-CABCVRRESA-N -1 0 309.381 3.530 20 0 DHADRM CCc1ccsc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263172620 962325291 /nfs/dbraw/zinc/32/52/91/962325291.db2.gz GEWIWUULYLNWHM-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001588917650 962347197 /nfs/dbraw/zinc/34/71/97/962347197.db2.gz HLMYQKLEWKRNMD-UHFFFAOYSA-N -1 0 311.337 3.521 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000263196143 962352067 /nfs/dbraw/zinc/35/20/67/962352067.db2.gz UGARNVWELIAYNV-CYBMUJFWSA-N -1 0 319.401 3.613 20 0 DHADRM CC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263211154 962365999 /nfs/dbraw/zinc/36/59/99/962365999.db2.gz ZRNICCIMOPJDMW-CXAGYDPISA-N -1 0 313.397 3.908 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C2CCC2)cc1 ZINC000263225870 962377467 /nfs/dbraw/zinc/37/74/67/962377467.db2.gz APBOGLGHCZYHOI-UHFFFAOYSA-N -1 0 303.402 3.717 20 0 DHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCCCC(=O)[O-] ZINC000263272850 962412084 /nfs/dbraw/zinc/41/20/84/962412084.db2.gz IGZXECIEVDDOII-INIZCTEOSA-N -1 0 305.418 3.501 20 0 DHADRM Cc1c(C(=O)N(C)C(C)(C)CC(=O)[O-])sc2cccc(F)c12 ZINC001347928711 962433060 /nfs/dbraw/zinc/43/30/60/962433060.db2.gz LMYCHHRMIKPGTC-UHFFFAOYSA-N -1 0 323.389 3.674 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263340788 962490265 /nfs/dbraw/zinc/49/02/65/962490265.db2.gz RWVAZFXYFQLKOI-WBMJQRKESA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)Sc1ccccc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588943061 962549468 /nfs/dbraw/zinc/54/94/68/962549468.db2.gz MHLYYNPFTPFZPQ-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM O=C([O-])CC1(C(=O)Oc2ccc(Cl)cc2Cl)CCC1 ZINC001574675634 962560669 /nfs/dbraw/zinc/56/06/69/962560669.db2.gz PFIHWOSUKWIOQB-UHFFFAOYSA-N -1 0 303.141 3.544 20 0 DHADRM CC(C)c1ccc(SCc2nc([C@@H](C)C(=O)[O-])no2)cc1 ZINC001588968505 962657211 /nfs/dbraw/zinc/65/72/11/962657211.db2.gz KAZXEPVIVXCYJA-SNVBAGLBSA-N -1 0 306.387 3.673 20 0 DHADRM O=C([O-])CCCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001574697638 962670053 /nfs/dbraw/zinc/67/00/53/962670053.db2.gz WABKGLQRPSBSJD-GFCCVEGCSA-N -1 0 324.682 3.742 20 0 DHADRM C[C@@H](CCc1ccc(O)cc1)Nc1cccc(CCC(=O)[O-])c1 ZINC000263495063 962678016 /nfs/dbraw/zinc/67/80/16/962678016.db2.gz JLYBZEOIJPGUBW-AWEZNQCLSA-N -1 0 313.397 3.843 20 0 DHADRM CCCC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCC1 ZINC000263516909 962699292 /nfs/dbraw/zinc/69/92/92/962699292.db2.gz FBTRQPILJNGWRI-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM CC/C(C)=C(\C)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001517445655 962800420 /nfs/dbraw/zinc/80/04/20/962800420.db2.gz AWKVPYAICLLTPO-RDRICISKSA-N -1 0 318.417 3.523 20 0 DHADRM C[C@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1F ZINC000340156907 1013374348 /nfs/dbraw/zinc/37/43/48/1013374348.db2.gz QWTDUOQXAKGRMG-QMMMGPOBSA-N -1 0 321.352 3.526 20 0 DHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000280981128 962864443 /nfs/dbraw/zinc/86/44/43/962864443.db2.gz DAJKOQHOPSPCPB-SHTZXODSSA-N -1 0 311.381 3.694 20 0 DHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001550353879 962998342 /nfs/dbraw/zinc/99/83/42/962998342.db2.gz DTDVGLXWXNOKTJ-AFAVFJNCSA-N -1 0 315.413 3.632 20 0 DHADRM O=C([O-])Cn1ccc2cc(NC(=O)C3CCCCCC3)ccc21 ZINC000262071577 1013537409 /nfs/dbraw/zinc/53/74/09/1013537409.db2.gz IVRSHHGYAHCKED-UHFFFAOYSA-N -1 0 314.385 3.635 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262077784 1013573808 /nfs/dbraw/zinc/57/38/08/1013573808.db2.gz DRJDDVHWRPFXIU-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@H]1[C@@H](C)N(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@H]1C ZINC000519640714 1013585600 /nfs/dbraw/zinc/58/56/00/1013585600.db2.gz DVIMDLCLZWVACC-OPRDCNLKSA-N -1 0 301.308 3.528 20 0 DHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCCCC(=O)[O-] ZINC000261824277 967806700 /nfs/dbraw/zinc/80/67/00/967806700.db2.gz AZDVUYDRSCBOPJ-GFCCVEGCSA-N -1 0 303.358 3.597 20 0 DHADRM C[C@@H](CCC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262939193 967832443 /nfs/dbraw/zinc/83/24/43/967832443.db2.gz CCTXYKCPPHLDJB-AWEZNQCLSA-N -1 0 311.381 3.585 20 0 DHADRM Cc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(C)o1 ZINC001210282290 1013756405 /nfs/dbraw/zinc/75/64/05/1013756405.db2.gz GXIFBXWWKAHXFV-UHFFFAOYSA-N -1 0 301.751 3.540 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1nc(C(C)(C)C)cs1 ZINC000416404929 968342000 /nfs/dbraw/zinc/34/20/00/968342000.db2.gz AXOPYVBTZRAGNE-VIFPVBQESA-N -1 0 305.403 3.707 20 0 DHADRM Cc1cccc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)oc21 ZINC000147064903 1013815935 /nfs/dbraw/zinc/81/59/35/1013815935.db2.gz NPGSMDFVZUJWEX-HNNXBMFYSA-N -1 0 324.380 3.513 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655582693 968687906 /nfs/dbraw/zinc/68/79/06/968687906.db2.gz OYPSJJWZNZEKSQ-VBNZEHGJSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1cc(C)cc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000663026133 968760795 /nfs/dbraw/zinc/76/07/95/968760795.db2.gz MDACRMBLCFLKRJ-UHFFFAOYSA-N -1 0 311.381 3.502 20 0 DHADRM O=C([O-])CN(Cc1sc2ccccc2c1Cl)C1CCC1 ZINC000655934664 1013831413 /nfs/dbraw/zinc/83/14/13/1013831413.db2.gz NQACWDGYXGTHEQ-UHFFFAOYSA-N -1 0 309.818 3.994 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000078880309 1013869466 /nfs/dbraw/zinc/86/94/66/1013869466.db2.gz GDBGZCCMXOBISZ-QMMMGPOBSA-N -1 0 318.200 3.672 20 0 DHADRM CCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@H](C)C(=O)[O-] ZINC000923253672 969647585 /nfs/dbraw/zinc/64/75/85/969647585.db2.gz NUTHUJFUHUANBE-LLVKDONJSA-N -1 0 324.490 3.688 20 0 DHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1Cl ZINC000655588148 1013895691 /nfs/dbraw/zinc/89/56/91/1013895691.db2.gz VCHIEGUBJOXWPU-UHFFFAOYSA-N -1 0 309.793 3.543 20 0 DHADRM CCCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC001341448218 969753328 /nfs/dbraw/zinc/75/33/28/969753328.db2.gz DLMBCGWACYXONZ-UONOGXRCSA-N -1 0 324.421 3.572 20 0 DHADRM C[C@@H](Nc1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091461 1013992667 /nfs/dbraw/zinc/99/26/67/1013992667.db2.gz DLYYGBBQEPWMFV-OUAUKWLOSA-N -1 0 304.415 3.844 20 0 DHADRM C[C@@H](C(=O)[O-])c1noc(-c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC001609717780 970493176 /nfs/dbraw/zinc/49/31/76/970493176.db2.gz FDLNAKXZCPXCFZ-RXMQYKEDSA-N -1 0 320.654 3.597 20 0 DHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])CC(C)(C)C1 ZINC001610047812 970646111 /nfs/dbraw/zinc/64/61/11/970646111.db2.gz ZFMBAINNVQIPRE-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(C2CCCC2)CC1 ZINC001603310241 972601023 /nfs/dbraw/zinc/60/10/23/972601023.db2.gz MVFKMKKOTWPBAN-UHFFFAOYSA-N -1 0 321.461 3.552 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001605863076 972617953 /nfs/dbraw/zinc/61/79/53/972617953.db2.gz HRBHOWSAZLEMBM-MRXNPFEDSA-N -1 0 310.353 3.658 20 0 DHADRM CC1(C)CC(C(=O)Nc2ncccc2C(=O)[O-])CC(C)(C)C1 ZINC001603315807 972626462 /nfs/dbraw/zinc/62/64/62/972626462.db2.gz JDHOPEORCCKWTI-UHFFFAOYSA-N -1 0 304.390 3.571 20 0 DHADRM C[C@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1Cl ZINC001605041837 972655245 /nfs/dbraw/zinc/65/52/45/972655245.db2.gz FQQOMTDCTLFZLU-LURJTMIESA-N -1 0 324.591 3.689 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC001605900508 972723252 /nfs/dbraw/zinc/72/32/52/972723252.db2.gz DFXHWTXYGPIJPK-MRXNPFEDSA-N -1 0 309.321 3.635 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@]2(C)CC(C)C)c1 ZINC001605132439 972797472 /nfs/dbraw/zinc/79/74/72/972797472.db2.gz MXZDKAQWVPAVHX-SFHVURJKSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(F)cc2Cl)c1 ZINC001605140397 972809997 /nfs/dbraw/zinc/80/99/97/972809997.db2.gz AJQUPJNUFOIOGQ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([N-]OCC1CCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC001167368554 1014064057 /nfs/dbraw/zinc/06/40/57/1014064057.db2.gz DLYYIAJWWNMUKF-UHFFFAOYSA-N -1 0 307.821 4.000 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001605173775 972886238 /nfs/dbraw/zinc/88/62/38/972886238.db2.gz RSFWTFYPLXBBIA-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001605187283 972904699 /nfs/dbraw/zinc/90/46/99/972904699.db2.gz SCJGECYPJAQVOL-SJKOYZFVSA-N -1 0 306.333 3.549 20 0 DHADRM O=C([O-])[C@]1(C(=O)O[C@@H]2CCc3c2cccc3Cl)CC=CCC1 ZINC001605951817 972917319 /nfs/dbraw/zinc/91/73/19/972917319.db2.gz LBHJTYXSZSUUCF-PBHICJAKSA-N -1 0 320.772 3.682 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2cncc(C(=O)[O-])c2)C1(C)C ZINC001603394760 973027300 /nfs/dbraw/zinc/02/73/00/973027300.db2.gz MPTNNKBXJXXNMH-AJFWZDNWSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)[C@H]1C(=O)[O-] ZINC001603414751 973097043 /nfs/dbraw/zinc/09/70/43/973097043.db2.gz GWKISMWPOIFDGC-JOYOIKCWSA-N -1 0 324.833 3.635 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)c1 ZINC001605289162 973099401 /nfs/dbraw/zinc/09/94/01/973099401.db2.gz REJFMVJFRTZUHC-AWEZNQCLSA-N -1 0 306.406 3.704 20 0 DHADRM C[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC12CCCCC2 ZINC001603416568 973116279 /nfs/dbraw/zinc/11/62/79/973116279.db2.gz TVVQOZVMWNLUHD-GOEBONIOSA-N -1 0 321.461 3.696 20 0 DHADRM O=C1NCc2c1cccc2Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210928034 1014089661 /nfs/dbraw/zinc/08/96/61/1014089661.db2.gz XVEVGQNDWKPILW-UHFFFAOYSA-N -1 0 309.152 3.686 20 0 DHADRM [S-]c1cccc(Nc2ccc(OC3CCOCC3)nc2)c1 ZINC001210945399 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CC(C)c1ccc(NC(=O)[C@H]2CCOC(C)(C)C2)c(C(=O)[O-])c1 ZINC001591963156 976553128 /nfs/dbraw/zinc/55/31/28/976553128.db2.gz WYRYTYOGSDHBJE-ZDUSSCGKSA-N -1 0 319.401 3.652 20 0 DHADRM CC(C)c1ccc(NCc2ncc(C3CC3)o2)c(C(=O)[O-])c1 ZINC001591969097 976568132 /nfs/dbraw/zinc/56/81/32/976568132.db2.gz XOOXFARVTSTOII-UHFFFAOYSA-N -1 0 300.358 3.986 20 0 DHADRM CC(C)c1ccc2c(c1)CN(Cc1nc(C(=O)[O-])cs1)CC2 ZINC001591981136 976595945 /nfs/dbraw/zinc/59/59/45/976595945.db2.gz OHIYRNICWJHPQF-UHFFFAOYSA-N -1 0 316.426 3.523 20 0 DHADRM CC(C)c1cccc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001591986315 976606764 /nfs/dbraw/zinc/60/67/64/976606764.db2.gz BGWYFRBJYQNVMG-UHFFFAOYSA-N -1 0 319.744 3.776 20 0 DHADRM CC(C)c1cccc(COC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001591992081 976622956 /nfs/dbraw/zinc/62/29/56/976622956.db2.gz QAWNXSMSYPWQEK-UHFFFAOYSA-N -1 0 319.401 3.673 20 0 DHADRM CC(C)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001591993943 976625407 /nfs/dbraw/zinc/62/54/07/976625407.db2.gz 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C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592180409 977092135 /nfs/dbraw/zinc/09/21/35/977092135.db2.gz AXSYPWLBUWIJHJ-NSHDSACASA-N -1 0 322.380 3.956 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592181826 977112670 /nfs/dbraw/zinc/11/26/70/977112670.db2.gz SDGIZLHPNJUCNG-JTQLQIEISA-N -1 0 310.419 3.879 20 0 DHADRM C[C@@H](C1CC1)n1nccc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592181800 977112788 /nfs/dbraw/zinc/11/27/88/977112788.db2.gz RLCICRANYNWAAE-JTQLQIEISA-N -1 0 319.792 3.818 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592181796 977112904 /nfs/dbraw/zinc/11/29/04/977112904.db2.gz RIVLVXPQJRNCDM-GFCCVEGCSA-N -1 0 304.390 3.817 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592182368 977117724 /nfs/dbraw/zinc/11/77/24/977117724.db2.gz ZNSABUPPEIKNFB-LLVKDONJSA-N -1 0 322.380 3.956 20 0 DHADRM C[C@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C1CCCCC1 ZINC001592255132 977494323 /nfs/dbraw/zinc/49/43/23/977494323.db2.gz 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ZINC001592385152 977925139 /nfs/dbraw/zinc/92/51/39/977925139.db2.gz HBTIQKYJVYSUKX-RFUYNDQBSA-N -1 0 317.429 3.563 20 0 DHADRM CC(C)[C@H](OC(=O)C[C@H](C)CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001592394262 977943739 /nfs/dbraw/zinc/94/37/39/977943739.db2.gz AWYKFNPUIGOPHR-HWPZZCPQSA-N -1 0 314.328 3.706 20 0 DHADRM CC(C)Sc1ccc(COC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC001592403045 977971770 /nfs/dbraw/zinc/97/17/70/977971770.db2.gz STCLDWQQJVWQFE-GFCCVEGCSA-N -1 0 310.415 3.731 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H]1CCCc2ccc(Cl)cc21 ZINC001592403059 977971867 /nfs/dbraw/zinc/97/18/67/977971867.db2.gz SWKBYRUOXBODCR-QMTHXVAHSA-N -1 0 310.777 3.762 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000684110305 1014448066 /nfs/dbraw/zinc/44/80/66/1014448066.db2.gz VZZQJDHNULGPDJ-CJNGLKHVSA-N -1 0 321.417 3.544 20 0 DHADRM C[C@H](CC(=O)[O-])SCCc1ccccc1Br ZINC001592422382 978035811 /nfs/dbraw/zinc/03/58/11/978035811.db2.gz NIDATLVUBWYPAF-SECBINFHSA-N -1 0 303.221 3.588 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC001592424831 978047619 /nfs/dbraw/zinc/04/76/19/978047619.db2.gz XZPALOKWWFQHKF-ZETCQYMHSA-N -1 0 315.156 3.545 20 0 DHADRM C[C@H](CC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001592430340 978063744 /nfs/dbraw/zinc/06/37/44/978063744.db2.gz YRPUNKQTZKVGGV-BZNIZROVSA-N -1 0 302.370 3.742 20 0 DHADRM C[C@H](CC(=O)OCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC001592430382 978063935 /nfs/dbraw/zinc/06/39/35/978063935.db2.gz ZMUIPDXWIALENH-SNVBAGLBSA-N -1 0 318.291 3.607 20 0 DHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC001592433273 978065196 /nfs/dbraw/zinc/06/51/96/978065196.db2.gz FWWLPJZLMSPZQS-ZETCQYMHSA-N -1 0 324.682 3.670 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592465241 978205058 /nfs/dbraw/zinc/20/50/58/978205058.db2.gz BCHVEYYXIMZTRN-DEYYWGMASA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](CCC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001592471349 978231468 /nfs/dbraw/zinc/23/14/68/978231468.db2.gz XZBWYOVLSGGEBR-JEYLPNPQSA-N -1 0 304.386 3.757 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001592476793 978238040 /nfs/dbraw/zinc/23/80/40/978238040.db2.gz AZWGIPPONYLRMK-JTQLQIEISA-N -1 0 317.389 3.662 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592477053 978240207 /nfs/dbraw/zinc/24/02/07/978240207.db2.gz DGWPMBHSYVXKLB-PMUMKWKESA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001592477249 978241980 /nfs/dbraw/zinc/24/19/80/978241980.db2.gz IQBHIJZDJUQBHJ-IMJJTQAJSA-N -1 0 324.465 3.678 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001592477881 978247017 /nfs/dbraw/zinc/24/70/17/978247017.db2.gz NGQCBKCMSCWLJA-ZDUSSCGKSA-N -1 0 321.417 3.941 20 0 DHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592478129 978249459 /nfs/dbraw/zinc/24/94/59/978249459.db2.gz RRXHPHMDHVRYII-SECBINFHSA-N -1 0 318.295 3.627 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592478218 978250535 /nfs/dbraw/zinc/25/05/35/978250535.db2.gz QWCRFUNJCHPIKP-LBPRGKRZSA-N -1 0 303.402 3.736 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001592478270 978251628 /nfs/dbraw/zinc/25/16/28/978251628.db2.gz SHNKXTLWCIPJFO-LBPRGKRZSA-N -1 0 320.433 3.852 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592478896 978255554 /nfs/dbraw/zinc/25/55/54/978255554.db2.gz WYYASXYQLPBVGP-SECBINFHSA-N -1 0 312.797 3.834 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccsc1)c1ccccc1 ZINC000736850550 978362981 /nfs/dbraw/zinc/36/29/81/978362981.db2.gz WYTDHXOUKJBRGS-DOMZBBRYSA-N -1 0 317.410 3.748 20 0 DHADRM CC[C@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccc(C)cc1 ZINC000736891843 978364324 /nfs/dbraw/zinc/36/43/24/978364324.db2.gz GOPKZKMXXLBGJI-CYBMUJFWSA-N -1 0 314.385 3.852 20 0 DHADRM CCS[C@@H](C(=O)Oc1ccc(Cl)cc1C(=O)[O-])C(C)C ZINC000737229450 978389801 /nfs/dbraw/zinc/38/98/01/978389801.db2.gz KXIMJOPPVMPSPB-GFCCVEGCSA-N -1 0 316.806 3.721 20 0 DHADRM CCn1c(C)cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000737293681 978395576 /nfs/dbraw/zinc/39/55/76/978395576.db2.gz HMAPUEPAJWFSLW-UHFFFAOYSA-N -1 0 320.776 3.729 20 0 DHADRM C[C@@H](CCc1ccc(O)cc1)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592538760 978415916 /nfs/dbraw/zinc/41/59/16/978415916.db2.gz ASNCQYUBXDFHCH-AWEZNQCLSA-N -1 0 313.397 3.843 20 0 DHADRM C[C@@H](CCc1ccco1)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592552359 978439042 /nfs/dbraw/zinc/43/90/42/978439042.db2.gz WTYRLCUOFSAPGB-KBPBESRZSA-N -1 0 301.386 3.976 20 0 DHADRM Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738637437 978578747 /nfs/dbraw/zinc/57/87/47/978578747.db2.gz DGVBKRGHBQYELU-KBPBESRZSA-N -1 0 314.312 3.541 20 0 DHADRM Cc1cc(NC(=S)Nc2ccccc2C)sc1C(=O)[O-] ZINC000738776801 978601220 /nfs/dbraw/zinc/60/12/20/978601220.db2.gz AORMAZZAPGHSPM-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM COCc1cc(NC(=O)C[C@H](C)C(C)(C)C)cc(C(=O)[O-])c1 ZINC000427662734 1014507932 /nfs/dbraw/zinc/50/79/32/1014507932.db2.gz LOJVQGPMSZHRGP-NSHDSACASA-N -1 0 307.390 3.542 20 0 DHADRM Cc1cccc(-c2cccc(CNC(=O)CCCC(=O)[O-])c2)c1 ZINC000753975869 978695405 /nfs/dbraw/zinc/69/54/05/978695405.db2.gz HDWPVKLMGLYVHL-UHFFFAOYSA-N -1 0 311.381 3.533 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000761647652 978712978 /nfs/dbraw/zinc/71/29/78/978712978.db2.gz ALEOOMUXLJUQMH-YCABEKBOSA-N -1 0 309.793 3.503 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1cccc(Cl)c1 ZINC000761647649 978713047 /nfs/dbraw/zinc/71/30/47/978713047.db2.gz ALEOOMUXLJUQMH-CLOOOTJHSA-N -1 0 309.793 3.503 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)C1CC1 ZINC000766940638 978730164 /nfs/dbraw/zinc/73/01/64/978730164.db2.gz BNLQZNBAOLCERZ-NSHDSACASA-N -1 0 305.374 3.547 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000777363947 978776303 /nfs/dbraw/zinc/77/63/03/978776303.db2.gz PNZQJXAMVZOWOX-GFCCVEGCSA-N -1 0 317.410 3.565 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000799247548 978838645 /nfs/dbraw/zinc/83/86/45/978838645.db2.gz UUQDBPITHAGSFC-UKRRQHHQSA-N -1 0 303.402 3.808 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCC2=CCCCC2)c1 ZINC000811811475 978855976 /nfs/dbraw/zinc/85/59/76/978855976.db2.gz CJRXLQBZJMQXNA-UHFFFAOYSA-N -1 0 307.777 3.659 20 0 DHADRM Cc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811814079 978856588 /nfs/dbraw/zinc/85/65/88/978856588.db2.gz CFXGYPPUGXOJJD-UHFFFAOYSA-N -1 0 317.772 3.585 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811813793 978856598 /nfs/dbraw/zinc/85/65/98/978856598.db2.gz HFTCMSFKPJGERM-UHFFFAOYSA-N -1 0 317.772 3.619 20 0 DHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814090 978856606 /nfs/dbraw/zinc/85/66/06/978856606.db2.gz CSKWAUJLGKKKTO-MSRIBSCDSA-N -1 0 309.793 3.593 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000811819296 978863005 /nfs/dbraw/zinc/86/30/05/978863005.db2.gz NCYVYNMZOUKXFT-IUODEOHRSA-N -1 0 321.804 3.737 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(F)c2F)c1 ZINC000811819941 978863857 /nfs/dbraw/zinc/86/38/57/978863857.db2.gz KIYYMSVYIJTPSY-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC[C@@H]1CCCCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821450 978865693 /nfs/dbraw/zinc/86/56/93/978865693.db2.gz GACRTCOXFBFAHF-GFCCVEGCSA-N -1 0 309.793 3.833 20 0 DHADRM CCc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000811823092 978867754 /nfs/dbraw/zinc/86/77/54/978867754.db2.gz NZBJKSCBVKSEHN-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CC(C)Oc1c(NCc2ccc(Cl)nc2)cccc1C(=O)[O-] ZINC000813355642 978871033 /nfs/dbraw/zinc/87/10/33/978871033.db2.gz CKORDHRFDFDQRD-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM C/C(=C\C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)C(C)(C)C ZINC000823340967 978931976 /nfs/dbraw/zinc/93/19/76/978931976.db2.gz GHCPSOIIBVROME-PEKVBPLLSA-N -1 0 321.392 3.624 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C=C1CCCC1)c1ccc2ccccc2c1 ZINC000823352050 978937366 /nfs/dbraw/zinc/93/73/66/978937366.db2.gz DAFBGPIVEGPIKF-SFHVURJKSA-N -1 0 323.392 3.972 20 0 DHADRM CC/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000823352936 978937909 /nfs/dbraw/zinc/93/79/09/978937909.db2.gz MIAZGGOCMSMVPT-SDTVSMOJSA-N -1 0 311.381 3.828 20 0 DHADRM CC[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000829004313 978991241 /nfs/dbraw/zinc/99/12/41/978991241.db2.gz FIRRJBFSVGJXBK-CYBMUJFWSA-N -1 0 313.781 3.724 20 0 DHADRM CCc1ccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830254296 979015746 /nfs/dbraw/zinc/01/57/46/979015746.db2.gz XZROOCQWQMGBPD-QGZVFWFLSA-N -1 0 315.369 3.504 20 0 DHADRM Cc1[nH]c(C(=O)N2CCC(CCC(C)C)CC2)c(C)c1C(=O)[O-] ZINC000832842856 979049229 /nfs/dbraw/zinc/04/92/29/979049229.db2.gz FAYWCLRACLXMDZ-UHFFFAOYSA-N -1 0 320.433 3.618 20 0 DHADRM CC[C@H](C)n1c(SCCCC(=O)[O-])nnc1-c1ccccc1 ZINC001595023758 979118181 /nfs/dbraw/zinc/11/81/81/979118181.db2.gz UYGXMJYXBNTOBX-LBPRGKRZSA-N -1 0 319.430 3.873 20 0 DHADRM CC[C@@H](C)n1ncc(NCc2ccc(C(=O)[O-])cc2F)c1C ZINC001595027334 979142796 /nfs/dbraw/zinc/14/27/96/979142796.db2.gz SMJOEBPZCGIODI-SNVBAGLBSA-N -1 0 305.353 3.612 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001595033023 979172052 /nfs/dbraw/zinc/17/20/52/979172052.db2.gz AMFOICMTRTYHDH-PBHICJAKSA-N -1 0 317.429 3.720 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595035313 979183171 /nfs/dbraw/zinc/18/31/71/979183171.db2.gz CGENMMOPQSNIHU-ZBFHGGJFSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595037282 979205034 /nfs/dbraw/zinc/20/50/34/979205034.db2.gz XEXXJZBUQRVOSB-GFCCVEGCSA-N -1 0 308.374 3.761 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccc(OC)cc1C(=O)[O-])C(C)(C)C ZINC001595037261 979205091 /nfs/dbraw/zinc/20/50/91/979205091.db2.gz WHUHGTBFDTYSMQ-NSHDSACASA-N -1 0 307.390 3.794 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001595039276 979213760 /nfs/dbraw/zinc/21/37/60/979213760.db2.gz PZKCEWGRNPHETB-JGVFFNPUSA-N -1 0 308.252 3.561 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C(F)F)cc1 ZINC001595050701 979279945 /nfs/dbraw/zinc/27/99/45/979279945.db2.gz XHVWLEZQLHUHDU-UHFFFAOYSA-N -1 0 314.332 3.779 20 0 DHADRM CC[C@](CNC(=O)/C=C(/C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000840946969 979286132 /nfs/dbraw/zinc/28/61/32/979286132.db2.gz IGAFVXRBYBLQEP-LUQQZNFBSA-N -1 0 317.429 3.528 20 0 DHADRM C[C@@H]1CCc2ccccc2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000647142050 1014564306 /nfs/dbraw/zinc/56/43/06/1014564306.db2.gz PKHZXUVVWXWFLH-CYBMUJFWSA-N -1 0 318.376 3.510 20 0 DHADRM CCC(CC)(CC)NC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595060620 979318290 /nfs/dbraw/zinc/31/82/90/979318290.db2.gz WVQAQABCAWZAPT-UHFFFAOYSA-N -1 0 322.405 3.622 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001595073178 979345976 /nfs/dbraw/zinc/34/59/76/979345976.db2.gz GHHKTPKNMVSEFU-UHFFFAOYSA-N -1 0 319.426 3.831 20 0 DHADRM C[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC001592765372 979371439 /nfs/dbraw/zinc/37/14/39/979371439.db2.gz SCZXKBAJTQKOQK-YCMKEVRSSA-N -1 0 316.397 3.759 20 0 DHADRM CCC(CC)(NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001595097901 979397528 /nfs/dbraw/zinc/39/75/28/979397528.db2.gz XHKYKNMQWDZQJN-UHFFFAOYSA-N -1 0 303.402 3.717 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)/C=C/C2CCCC2)cc1)C(=O)[O-] ZINC000846119255 979406697 /nfs/dbraw/zinc/40/66/97/979406697.db2.gz ZEAWBORJVAYXOO-RUNBWSAHSA-N -1 0 301.386 3.635 20 0 DHADRM CCC(CC)CN(CC)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595111733 979459706 /nfs/dbraw/zinc/45/97/06/979459706.db2.gz RVUPTYIRXGQSOJ-APWZRJJASA-N -1 0 317.429 3.530 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001595125687 979509242 /nfs/dbraw/zinc/50/92/42/979509242.db2.gz GDHFTVPVGLTXAL-ZDUSSCGKSA-N -1 0 318.417 3.902 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595126233 979516234 /nfs/dbraw/zinc/51/62/34/979516234.db2.gz SPPBSBABPXBEHH-AWEZNQCLSA-N -1 0 321.392 3.850 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595126435 979518355 /nfs/dbraw/zinc/51/83/55/979518355.db2.gz UCVUOIBPIWPORZ-AWEZNQCLSA-N -1 0 315.413 3.880 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)cc1 ZINC000851606412 979531200 /nfs/dbraw/zinc/53/12/00/979531200.db2.gz OWIBMZFADFJKSV-CQDKDKBSSA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@@H](CN1C[C@H](C(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001595130259 979541146 /nfs/dbraw/zinc/54/11/46/979541146.db2.gz WFSSYLPNAHEZNX-MAUKXSAKSA-N -1 0 309.409 3.944 20 0 DHADRM Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c(Cl)n1 ZINC000852729027 979581947 /nfs/dbraw/zinc/58/19/47/979581947.db2.gz KDBHVKNVHNFVLU-AWEZNQCLSA-N -1 0 316.788 3.622 20 0 DHADRM Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)n1 ZINC000852729028 979582008 /nfs/dbraw/zinc/58/20/08/979582008.db2.gz KDBHVKNVHNFVLU-CQSZACIVSA-N -1 0 316.788 3.622 20 0 DHADRM C[C@H](CC1CCOCC1)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810049 979639568 /nfs/dbraw/zinc/63/95/68/979639568.db2.gz DNOUJRBBWLZIQA-CYBMUJFWSA-N -1 0 305.418 3.666 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@H](F)c2ccccc2)cc1)C(=O)[O-] ZINC001592858859 979677767 /nfs/dbraw/zinc/67/77/67/979677767.db2.gz WIUOMYCHWZKZEJ-BLLLJJGKSA-N -1 0 315.344 3.599 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592861536 979698888 /nfs/dbraw/zinc/69/88/88/979698888.db2.gz SXKQWLXILAZCOR-XJKSGUPXSA-N -1 0 318.417 3.602 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)NC(C)(C)C2CCC2)cc1)C(=O)[O-] ZINC001592867790 979716284 /nfs/dbraw/zinc/71/62/84/979716284.db2.gz SCHRAENZVNEZOT-GFCCVEGCSA-N -1 0 318.417 3.650 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC[C@H]2CC2CCC2)c1 ZINC000864153669 979764297 /nfs/dbraw/zinc/76/42/97/979764297.db2.gz FXXIPKTYNIMOKO-LZNQSLFOSA-N -1 0 317.385 3.562 20 0 DHADRM C[C@@H](Cc1ccco1)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592900347 979820423 /nfs/dbraw/zinc/82/04/23/979820423.db2.gz UBRHVOXLBLKTPO-JTQLQIEISA-N -1 0 322.744 3.553 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000864179252 979825874 /nfs/dbraw/zinc/82/58/74/979825874.db2.gz SBXIEIMFFWLMOE-UONOGXRCSA-N -1 0 319.401 3.613 20 0 DHADRM C/C(=C/C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1Cl ZINC000864200235 979876160 /nfs/dbraw/zinc/87/61/60/979876160.db2.gz UHNRZSJEFSDAJS-CCCPALQASA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000864202168 979880945 /nfs/dbraw/zinc/88/09/45/979880945.db2.gz OIQYGIFSAJIEER-RKDXNWHRSA-N -1 0 315.291 3.593 20 0 DHADRM C[C@H](Cc1nc(-c2cc(C(=O)[O-])co2)no1)c1cccc(F)c1 ZINC001592912735 979881277 /nfs/dbraw/zinc/88/12/77/979881277.db2.gz MHUNGOBCIASLRZ-SECBINFHSA-N -1 0 316.288 3.513 20 0 DHADRM CCCSCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225918 979910619 /nfs/dbraw/zinc/91/06/19/979910619.db2.gz PAQSQDAYHXELOD-UHFFFAOYSA-N -1 0 303.383 3.620 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccc(C3(O)CCC3)cc2)s1 ZINC000864612535 979950163 /nfs/dbraw/zinc/95/01/63/979950163.db2.gz QUECODKJVIUFPR-NSHDSACASA-N -1 0 302.395 3.975 20 0 DHADRM CC[C@@H](CSCc1coc(-c2ccc(C(=O)[O-])cc2)n1)OC ZINC001595203999 979971185 /nfs/dbraw/zinc/97/11/85/979971185.db2.gz WFEQOSCVJSWEMG-AWEZNQCLSA-N -1 0 321.398 3.698 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595210897 979985966 /nfs/dbraw/zinc/98/59/66/979985966.db2.gz LDLOQYSHWSBXLO-CYBMUJFWSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595211109 979988099 /nfs/dbraw/zinc/98/80/99/979988099.db2.gz PBUWQGMBXFFQBA-INIZCTEOSA-N -1 0 319.445 3.603 20 0 DHADRM CC(F)(F)CCC(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001592938801 980003095 /nfs/dbraw/zinc/00/30/95/980003095.db2.gz GZYBUYVCPBQPHM-UHFFFAOYSA-N -1 0 306.692 3.517 20 0 DHADRM CC(F)(F)CCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592939714 980009030 /nfs/dbraw/zinc/00/90/30/980009030.db2.gz MGIMCOQPWPBODL-UHFFFAOYSA-N -1 0 322.311 3.705 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001592943764 980016481 /nfs/dbraw/zinc/01/64/81/980016481.db2.gz CTDNGPNQMULIRE-STQMWFEESA-N -1 0 312.312 3.599 20 0 DHADRM CCCCN(Cc1ccc(C)c(C(=O)[O-])c1)CC(F)(F)F ZINC000872157555 980040581 /nfs/dbraw/zinc/04/05/81/980040581.db2.gz RIJDDTDONWYPRW-UHFFFAOYSA-N -1 0 303.324 3.858 20 0 DHADRM CC[C@@H](F)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001595223651 980064896 /nfs/dbraw/zinc/06/48/96/980064896.db2.gz UCSDTAPFHMTYGM-CYBMUJFWSA-N -1 0 319.332 3.636 20 0 DHADRM CCC(F)(F)c1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001595226340 980076595 /nfs/dbraw/zinc/07/65/95/980076595.db2.gz SOHSCSLJTTYUDN-UHFFFAOYSA-N -1 0 320.295 3.534 20 0 DHADRM CC[C@](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595237044 980140634 /nfs/dbraw/zinc/14/06/34/980140634.db2.gz VDIGIIWNZCRQHX-NRTGNBEESA-N -1 0 317.429 3.565 20 0 DHADRM CC[C@](NC(=O)C1C[C@H](C)C[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595236884 980140926 /nfs/dbraw/zinc/14/09/26/980140926.db2.gz RFWPDOVOTLIVAO-PJIJBLCYSA-N -1 0 317.429 3.565 20 0 DHADRM 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/nfs/dbraw/zinc/40/25/28/980402528.db2.gz MDQDQOAHVLLSKS-IMRBUKKESA-N -1 0 307.390 3.540 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H]1CCOC2(CCC2)C1 ZINC000901607230 980402537 /nfs/dbraw/zinc/40/25/37/980402537.db2.gz NXWSYCAUZACATO-AWEZNQCLSA-N -1 0 319.401 3.686 20 0 DHADRM CC[C@](NCc1csc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC000901649857 980427860 /nfs/dbraw/zinc/42/78/60/980427860.db2.gz GLMIIRZJYCEAGJ-QGZVFWFLSA-N -1 0 316.426 3.500 20 0 DHADRM CC[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595301068 980436989 /nfs/dbraw/zinc/43/69/89/980436989.db2.gz WBTGOMZQTNBQQA-IOBAAEILSA-N -1 0 321.323 3.897 20 0 DHADRM CC(C)(C)c1nc(CNCc2ccc(C(=O)[O-])cc2F)cs1 ZINC000901760636 980491257 /nfs/dbraw/zinc/49/12/57/980491257.db2.gz XSBMAOYVNFOARF-UHFFFAOYSA-N -1 0 322.405 3.568 20 0 DHADRM CC[C@@H](Nc1ccc(Oc2ccccc2OC)cc1)C(=O)[O-] ZINC001595318432 980500782 /nfs/dbraw/zinc/50/07/82/980500782.db2.gz LFSZFPNQUUOSCG-CQSZACIVSA-N -1 0 301.342 3.763 20 0 DHADRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001595322913 980518146 /nfs/dbraw/zinc/51/81/46/980518146.db2.gz OAXUTXZXVIYJLL-GFCCVEGCSA-N -1 0 305.765 3.700 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000901816081 980536659 /nfs/dbraw/zinc/53/66/59/980536659.db2.gz SRGMEZURPIDMQG-STECZYCISA-N -1 0 315.413 3.634 20 0 DHADRM CC[C@@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595339067 980611672 /nfs/dbraw/zinc/61/16/72/980611672.db2.gz ZTHVFOUEUPLLBV-BXKDBHETSA-N -1 0 318.291 3.605 20 0 DHADRM CC[C@H](OC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC001595343731 980624845 /nfs/dbraw/zinc/62/48/45/980624845.db2.gz DPEKABHHKYGPDS-HNNXBMFYSA-N -1 0 317.316 3.535 20 0 DHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595344584 980627679 /nfs/dbraw/zinc/62/76/79/980627679.db2.gz MHANOEGCBRXRPG-HNNXBMFYSA-N -1 0 316.353 3.891 20 0 DHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC001595344918 980630163 /nfs/dbraw/zinc/63/01/63/980630163.db2.gz PHIMQLWQJIOFGR-LBPRGKRZSA-N -1 0 310.252 3.564 20 0 DHADRM CC[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C)cc1 ZINC001595352084 980664944 /nfs/dbraw/zinc/66/49/44/980664944.db2.gz RMOFSNVXSILBHR-KRWDZBQOSA-N -1 0 312.365 3.930 20 0 DHADRM CC[C@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595354058 980688396 /nfs/dbraw/zinc/68/83/96/980688396.db2.gz ZIMGHFXEXCDJHN-AWEZNQCLSA-N -1 0 319.744 3.741 20 0 DHADRM C[C@@H]1CCN(Cc2cnc(-c3cccs3)s2)[C@@H](C(=O)[O-])C1 ZINC000902011300 980689638 /nfs/dbraw/zinc/68/96/38/980689638.db2.gz ILTDCJFSHCLOOW-ZYHUDNBSSA-N -1 0 322.455 3.557 20 0 DHADRM O=C([O-])/C=C/c1ccc(CNc2ccccc2N2CCCC2)o1 ZINC000902065261 980718051 /nfs/dbraw/zinc/71/80/51/980718051.db2.gz KIRUCYQLPMIYLN-MDZDMXLPSA-N -1 0 312.369 3.590 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC001595359035 980737649 /nfs/dbraw/zinc/73/76/49/980737649.db2.gz OMLKCQCXGMUALE-AWEZNQCLSA-N -1 0 320.366 3.592 20 0 DHADRM CC[C@@H](Sc1nnc(Nc2ccc(C)cc2)s1)C(=O)[O-] ZINC001595359252 980739641 /nfs/dbraw/zinc/73/96/41/980739641.db2.gz UWUMHEXANIPYGD-SNVBAGLBSA-N -1 0 309.416 3.545 20 0 DHADRM Cc1cc(CNc2ccc3oc(C4CC4)nc3c2)oc1C(=O)[O-] ZINC000902124908 980746199 /nfs/dbraw/zinc/74/61/99/980746199.db2.gz HSKOXHYIMZYJDL-UHFFFAOYSA-N -1 0 312.325 3.917 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1oc(C)cc1C ZINC001595360092 980748293 /nfs/dbraw/zinc/74/82/93/980748293.db2.gz CIAXRTXTUWXHSN-OAHLLOKOSA-N -1 0 315.369 3.575 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1occ(C)c1C ZINC001595360246 980750121 /nfs/dbraw/zinc/75/01/21/980750121.db2.gz DQNDKPFLGVCWHB-OAHLLOKOSA-N -1 0 315.369 3.575 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)OC1CCCC1 ZINC001595361592 980763086 /nfs/dbraw/zinc/76/30/86/980763086.db2.gz JZLNANKQDIIVBC-OAHLLOKOSA-N -1 0 305.374 3.604 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C(F)=C1CCCC1 ZINC001595361796 980765217 /nfs/dbraw/zinc/76/52/17/980765217.db2.gz PCHNZBQGELKLTE-HNNXBMFYSA-N -1 0 319.376 3.849 20 0 DHADRM CSCCc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000902215493 980786609 /nfs/dbraw/zinc/78/66/09/980786609.db2.gz PUXJVNYFRJLRFE-UHFFFAOYSA-N -1 0 305.399 3.804 20 0 DHADRM CCC1(C(=O)N2CCc3c2cccc3C(=O)[O-])CCCCC1 ZINC001595365311 980803861 /nfs/dbraw/zinc/80/38/61/980803861.db2.gz QBCGRTSJONSFBG-UHFFFAOYSA-N -1 0 301.386 3.634 20 0 DHADRM CCC1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCCC1 ZINC001595365673 980807761 /nfs/dbraw/zinc/80/77/61/980807761.db2.gz CVIZDBRZAVTWOD-HNNXBMFYSA-N -1 0 309.450 3.887 20 0 DHADRM Cc1c(CSC(C)C)cccc1NCc1cc(C(=O)[O-])no1 ZINC000902296901 980823355 /nfs/dbraw/zinc/82/33/55/980823355.db2.gz LWTPFALCTSAYJG-UHFFFAOYSA-N -1 0 320.414 3.935 20 0 DHADRM COc1cc(OC)c(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1F ZINC000902323030 980831862 /nfs/dbraw/zinc/83/18/62/980831862.db2.gz QHDOZXFMNLECMH-JTQLQIEISA-N -1 0 313.369 3.534 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1O[C@@H]1CCOC1 ZINC000902334760 980837380 /nfs/dbraw/zinc/83/73/80/980837380.db2.gz AGHVHQGJKGDHCE-ZIAGYGMSSA-N -1 0 321.417 3.546 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000902339717 980838626 /nfs/dbraw/zinc/83/86/26/980838626.db2.gz CRDXRSJLADYLQO-CQSZACIVSA-N -1 0 323.295 3.685 20 0 DHADRM Cc1oc(CNc2ccc(O[C@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000902342863 980841904 /nfs/dbraw/zinc/84/19/04/980841904.db2.gz WJEDASOXPQLYCR-AWEZNQCLSA-N -1 0 323.295 3.685 20 0 DHADRM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)c(OC(C)(C)C)c1 ZINC000902347670 980843791 /nfs/dbraw/zinc/84/37/91/980843791.db2.gz HAVZKRUFQIHUCM-UHFFFAOYSA-N -1 0 317.385 3.753 20 0 DHADRM CC[C@]1(C)CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595371239 980849674 /nfs/dbraw/zinc/84/96/74/980849674.db2.gz SQZGLMXTXPOYQB-QGZVFWFLSA-N -1 0 315.373 3.520 20 0 DHADRM C[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)CC1(c2ccccc2)CC1 ZINC000902359944 980852260 /nfs/dbraw/zinc/85/22/60/980852260.db2.gz QGIHUKFUEGLCMC-MDZDMXLPSA-N -1 0 311.381 3.541 20 0 DHADRM CSCc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000521339902 1014688963 /nfs/dbraw/zinc/68/89/63/1014688963.db2.gz GNDVIJYFEZBNNW-UHFFFAOYSA-N -1 0 321.467 3.967 20 0 DHADRM CCC1(CC)Oc2ccc(NCCC(C)(C)C(=O)[O-])cc2O1 ZINC001595376758 980908117 /nfs/dbraw/zinc/90/81/17/980908117.db2.gz LRIUBMRDRJHWDI-UHFFFAOYSA-N -1 0 307.390 3.887 20 0 DHADRM CCC1(CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCC1 ZINC001595378871 980915451 /nfs/dbraw/zinc/91/54/51/980915451.db2.gz MPNLJZKWNCGNHM-UHFFFAOYSA-N -1 0 315.373 3.568 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC001595379149 980917407 /nfs/dbraw/zinc/91/74/07/980917407.db2.gz XIHQNDOBPJMDFI-UHFFFAOYSA-N -1 0 318.417 3.796 20 0 DHADRM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CCO1 ZINC001595409265 981006857 /nfs/dbraw/zinc/00/68/57/981006857.db2.gz VCRJGNAALQSNAW-UONOGXRCSA-N -1 0 319.401 3.652 20 0 DHADRM CC[C@H]1C[C@@H](CNc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC001595412641 981010780 /nfs/dbraw/zinc/01/07/80/981010780.db2.gz FEFBDLBWMUQDTB-BBRMVZONSA-N -1 0 305.418 3.666 20 0 DHADRM CC[C@H]1C[C@H](CNc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC001595412642 981011037 /nfs/dbraw/zinc/01/10/37/981011037.db2.gz FEFBDLBWMUQDTB-CJNGLKHVSA-N -1 0 305.418 3.666 20 0 DHADRM Cc1nc(CN(CC(=O)[O-])C2CCCC2)sc1C(C)(C)C ZINC000903907116 981031984 /nfs/dbraw/zinc/03/19/84/981031984.db2.gz RFRJETZEKAVYOV-UHFFFAOYSA-N -1 0 310.463 3.578 20 0 DHADRM Nc1ccc(Cl)nc1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695247 1014701292 /nfs/dbraw/zinc/70/12/92/1014701292.db2.gz JDPFTNLGLXPRNS-UHFFFAOYSA-N -1 0 316.119 3.552 20 0 DHADRM CCC1CCC(NC(=O)C[C@H]2CCCC[C@@H]2C)(C(=O)[O-])CC1 ZINC001595420962 981039598 /nfs/dbraw/zinc/03/95/98/981039598.db2.gz SMXOIFGIUIUPRQ-YOFIQYCBSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595435249 981063724 /nfs/dbraw/zinc/06/37/24/981063724.db2.gz IOANXJCGQSBOJR-FZKQIMNGSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595435949 981067499 /nfs/dbraw/zinc/06/74/99/981067499.db2.gz OGYOESMDTZXCMN-RHSMWYFYSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595436446 981069009 /nfs/dbraw/zinc/06/90/09/981069009.db2.gz RBPYGZMONLPKFU-RDTXWAMCSA-N -1 0 319.401 3.686 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595439725 981075257 /nfs/dbraw/zinc/07/52/57/981075257.db2.gz GFAMFXDUJMQZNK-OWCLPIDISA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595440373 981076615 /nfs/dbraw/zinc/07/66/15/981076615.db2.gz IURFXPRYPBKJEF-LSDHHAIUSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595440820 981077638 /nfs/dbraw/zinc/07/76/38/981077638.db2.gz LKWHXXSWNGNVCJ-HOCLYGCPSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595441058 981078193 /nfs/dbraw/zinc/07/81/93/981078193.db2.gz MTPLGDSFGDPTCN-PWSUYJOCSA-N -1 0 322.430 3.553 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595441305 981079292 /nfs/dbraw/zinc/07/92/92/981079292.db2.gz PPPOSBMODPTRDW-WFASDCNBSA-N -1 0 322.426 3.985 20 0 DHADRM C[C@@H](Cc1ccc(NCc2nc(C(C)(C)C)co2)cc1)C(=O)[O-] ZINC000904015347 981080820 /nfs/dbraw/zinc/08/08/20/981080820.db2.gz LXBKXINTJSKSIN-LBPRGKRZSA-N -1 0 316.401 3.847 20 0 DHADRM Cc1coc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000904026009 981081549 /nfs/dbraw/zinc/08/15/49/981081549.db2.gz NJWAMIRKQMUUFG-ZDUSSCGKSA-N -1 0 313.275 3.522 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595441954 981081609 /nfs/dbraw/zinc/08/16/09/981081609.db2.gz WMRUNBBMDHHWDV-WINGESFGSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595443857 981083807 /nfs/dbraw/zinc/08/38/07/981083807.db2.gz CUPRQLKDAYSGLO-CABCVRRESA-N -1 0 324.465 3.680 20 0 DHADRM CC[C@H]1CCCC[C@H]1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595443860 981083818 /nfs/dbraw/zinc/08/38/18/981083818.db2.gz CUPRQLKDAYSGLO-LSDHHAIUSA-N -1 0 324.465 3.680 20 0 DHADRM CSc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000905043087 981086594 /nfs/dbraw/zinc/08/65/94/981086594.db2.gz CINDTULSTZUIEZ-ZETCQYMHSA-N -1 0 321.320 3.634 20 0 DHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595448230 981097606 /nfs/dbraw/zinc/09/76/06/981097606.db2.gz NCUBJTYRAYDABA-XJKSGUPXSA-N -1 0 319.401 3.617 20 0 DHADRM CSCc1cnc(CNc2cc(C)cc(C(=O)[O-])c2)s1 ZINC000905757271 981144471 /nfs/dbraw/zinc/14/44/71/981144471.db2.gz ZEMBMXWLBHJLBP-UHFFFAOYSA-N -1 0 308.428 3.625 20 0 DHADRM CCOC1CCC(Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC000905758817 981145144 /nfs/dbraw/zinc/14/51/44/981145144.db2.gz HEHIRXDKUGSKHY-UHFFFAOYSA-N -1 0 314.385 3.693 20 0 DHADRM CC[C@H]1CCN1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595468341 981161763 /nfs/dbraw/zinc/16/17/63/981161763.db2.gz SWHNSOMVDINGCS-JTQLQIEISA-N -1 0 322.430 3.731 20 0 DHADRM CC[C@H]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)[C@H]1C ZINC001595468568 981164236 /nfs/dbraw/zinc/16/42/36/981164236.db2.gz ZBPUWNVIGVKXEJ-ONGXEEELSA-N -1 0 319.430 3.631 20 0 DHADRM Cc1ccc(C)c(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907554488 981187607 /nfs/dbraw/zinc/18/76/07/981187607.db2.gz MHHUBOYVOGEWLU-HNAYVOBHSA-N -1 0 309.365 3.500 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000907576425 981195101 /nfs/dbraw/zinc/19/51/01/981195101.db2.gz FUSKPJSYKBDQSY-MWDXBVQZSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2ccccc2C2CCC2)cc1 ZINC000907625828 981201384 /nfs/dbraw/zinc/20/13/84/981201384.db2.gz BIKKGCLZYOPVJM-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM COC1(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCCCCC1 ZINC000907680971 981207074 /nfs/dbraw/zinc/20/70/74/981207074.db2.gz FVWWZBBLOHTZLQ-ZDUSSCGKSA-N -1 0 319.401 3.553 20 0 DHADRM CC[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)c2cccc(Cl)c2O1 ZINC001595486549 981229369 /nfs/dbraw/zinc/22/93/69/981229369.db2.gz FDSPZJSJMHVYSW-NSHDSACASA-N -1 0 320.776 3.544 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1F ZINC000656487742 1014719685 /nfs/dbraw/zinc/71/96/85/1014719685.db2.gz YTVOJNVWHDJXQZ-KRWDZBQOSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000908182862 981280974 /nfs/dbraw/zinc/28/09/74/981280974.db2.gz ZLRLDIADZORWGM-GOSISDBHSA-N -1 0 323.392 3.811 20 0 DHADRM CC/C=C(\C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595507284 981288698 /nfs/dbraw/zinc/28/86/98/981288698.db2.gz CADDDWXNZOJCDF-OXFRDRNISA-N -1 0 316.275 3.888 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338626 981303670 /nfs/dbraw/zinc/30/36/70/981303670.db2.gz LQMIBXKNUPSGOK-CQSZACIVSA-N -1 0 309.450 3.744 20 0 DHADRM CCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908693960 981340136 /nfs/dbraw/zinc/34/01/36/981340136.db2.gz QTWYTQWRLYXMCW-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1c(C)cccc1C(C)C ZINC000908694032 981340380 /nfs/dbraw/zinc/34/03/80/981340380.db2.gz WXUHOTZNOUQDDB-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM COc1cc(C)ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000048382513 1014729828 /nfs/dbraw/zinc/72/98/28/1014729828.db2.gz XVESWHJQCNYRFE-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM CCC[C@H](NC(=O)[C@@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC001595536408 981382994 /nfs/dbraw/zinc/38/29/94/981382994.db2.gz ZBQKQGXFQXLDMJ-KBPBESRZSA-N -1 0 311.809 3.593 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)c1csc(C2CCCCC2)n1 ZINC000908962760 981392249 /nfs/dbraw/zinc/39/22/49/981392249.db2.gz ODXCQXJEZUJDLU-UHFFFAOYSA-N -1 0 324.446 3.516 20 0 DHADRM CCCC(C)(C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595538562 981393011 /nfs/dbraw/zinc/39/30/11/981393011.db2.gz OICFGNUKTGBLSS-OAHLLOKOSA-N -1 0 317.429 3.747 20 0 DHADRM CCCC(C)(C)N(Cc1cccs1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595538780 981393944 /nfs/dbraw/zinc/39/39/44/981393944.db2.gz QVJLYDTXEDRQRM-UONOGXRCSA-N -1 0 323.458 3.766 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595541220 981400205 /nfs/dbraw/zinc/40/02/05/981400205.db2.gz JTHOGGTVWWMUHT-QGZVFWFLSA-N -1 0 307.390 3.695 20 0 DHADRM O=C([O-])CCCCNC(=O)C1(Cc2cccs2)CCCCC1 ZINC000909182466 981433219 /nfs/dbraw/zinc/43/32/19/981433219.db2.gz RHXUEZDTGPHBIV-UHFFFAOYSA-N -1 0 323.458 3.612 20 0 DHADRM C[C@@]1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC=CCC1 ZINC000909224610 981436377 /nfs/dbraw/zinc/43/63/77/981436377.db2.gz DUCVYDRWOZMIBT-QGZVFWFLSA-N -1 0 319.426 3.689 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001595570949 981476868 /nfs/dbraw/zinc/47/68/68/981476868.db2.gz MDWRFDPAYCWALQ-QMMMGPOBSA-N -1 0 301.745 3.942 20 0 DHADRM CCC[C@H](C)CCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595575072 981494478 /nfs/dbraw/zinc/49/44/78/981494478.db2.gz VZCSREYSINQQDB-VBNZEHGJSA-N -1 0 318.417 3.823 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595575171 981495348 /nfs/dbraw/zinc/49/53/48/981495348.db2.gz YNWHDVSBBLMYCE-WMLDXEAASA-N -1 0 317.429 3.745 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595578098 981498135 /nfs/dbraw/zinc/49/81/35/981498135.db2.gz GFMARRYKRNSXJT-LBPRGKRZSA-N -1 0 322.405 3.824 20 0 DHADRM CCC[C@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001595579815 981511131 /nfs/dbraw/zinc/51/11/31/981511131.db2.gz TXYFEDUHBSTTMC-JTQLQIEISA-N -1 0 316.361 3.656 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000909510332 981518372 /nfs/dbraw/zinc/51/83/72/981518372.db2.gz HEASUQXTVWGOOP-CQSZACIVSA-N -1 0 311.381 3.754 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595585693 981525292 /nfs/dbraw/zinc/52/52/92/981525292.db2.gz ADYLTRIRLKPQFW-HOCLYGCPSA-N -1 0 323.408 3.920 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1)C(=O)[O-] ZINC000909520822 981526959 /nfs/dbraw/zinc/52/69/59/981526959.db2.gz UCUVPZNIOOVCON-UGSOOPFHSA-N -1 0 301.386 3.635 20 0 DHADRM CCCC(CCC)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595586480 981532767 /nfs/dbraw/zinc/53/27/67/981532767.db2.gz ASOFJVRODNQYSU-MRXNPFEDSA-N -1 0 305.418 3.762 20 0 DHADRM CCCC(CCC)S[C@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC001595586942 981537488 /nfs/dbraw/zinc/53/74/88/981537488.db2.gz VVCRTCLTHODAKD-OAHLLOKOSA-N -1 0 323.458 3.572 20 0 DHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H](C)CC(=O)[O-] ZINC001595593795 981558961 /nfs/dbraw/zinc/55/89/61/981558961.db2.gz HATIRWGGHFCSMA-NVXWUHKLSA-N -1 0 319.445 3.747 20 0 DHADRM C[C@](CC(=O)[O-])(NC(=O)C1=CCCCCC1)c1cccc(F)c1 ZINC000909684706 981571215 /nfs/dbraw/zinc/57/12/15/981571215.db2.gz ZFLJDFMKINQWLL-GOSISDBHSA-N -1 0 319.376 3.522 20 0 DHADRM CCC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001595599409 981572032 /nfs/dbraw/zinc/57/20/32/981572032.db2.gz AFWFCVYCHACVQI-AWEZNQCLSA-N -1 0 314.385 3.601 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC001594742470 981617323 /nfs/dbraw/zinc/61/73/23/981617323.db2.gz CPDMDPSBZJODEN-WMLDXEAASA-N -1 0 311.381 3.614 20 0 DHADRM CCc1cccc(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442840451 1014748942 /nfs/dbraw/zinc/74/89/42/1014748942.db2.gz WVFFNJKXDXZIGM-UHFFFAOYSA-N -1 0 301.367 3.796 20 0 DHADRM CCC[C@@H](OCC)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001595615171 981634532 /nfs/dbraw/zinc/63/45/32/981634532.db2.gz JVFSQGJEONQMKM-OAHLLOKOSA-N -1 0 307.390 3.652 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001595619760 981681536 /nfs/dbraw/zinc/68/15/36/981681536.db2.gz NTYIPNHAOPIAHX-DTWKUNHWSA-N -1 0 302.827 3.900 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595620451 981689195 /nfs/dbraw/zinc/68/91/95/981689195.db2.gz IKDANNPPLDJEGS-CJNGLKHVSA-N -1 0 321.392 3.850 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595621090 981696540 /nfs/dbraw/zinc/69/65/40/981696540.db2.gz BRTLGNFQFOEKBC-DOMZBBRYSA-N -1 0 304.390 3.865 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595621466 981700035 /nfs/dbraw/zinc/70/00/35/981700035.db2.gz ISMAWSUNVCXMNN-IVYWBBSESA-N -1 0 319.401 3.714 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)OCc1ccc(-c2ccsc2)cc1 ZINC001594763724 981701386 /nfs/dbraw/zinc/70/13/86/981701386.db2.gz DMSNWAZJHYUCLI-CQSZACIVSA-N -1 0 304.367 3.569 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595621658 981702456 /nfs/dbraw/zinc/70/24/56/981702456.db2.gz MIJITNYMWLDJPJ-TZMCWYRMSA-N -1 0 321.392 3.860 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595621770 981703171 /nfs/dbraw/zinc/70/31/71/981703171.db2.gz OHSJQTRONGHPDQ-CJNGLKHVSA-N -1 0 304.386 3.953 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595622193 981707548 /nfs/dbraw/zinc/70/75/48/981707548.db2.gz SABYOSUJQJXURE-LVQVYYBASA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622456 981710386 /nfs/dbraw/zinc/71/03/86/981710386.db2.gz TYRMIXJCJRCMHF-BBRMVZONSA-N -1 0 319.401 3.686 20 0 DHADRM CCC/C=C/C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595624220 981729667 /nfs/dbraw/zinc/72/96/67/981729667.db2.gz PPSXUBTZTYXFGM-FYCOFBDGSA-N -1 0 309.793 3.502 20 0 DHADRM C[C@H]1CCC[C@@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910243645 981812357 /nfs/dbraw/zinc/81/23/57/981812357.db2.gz OKTATGBOHOGNPC-GKVPXEHWSA-N -1 0 321.461 3.744 20 0 DHADRM CCCC[C@@H](CC)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595632091 981849565 /nfs/dbraw/zinc/84/95/65/981849565.db2.gz RICJALLNHVKQHI-RBJHHQRMSA-N -1 0 320.385 3.915 20 0 DHADRM CCCC[C@H](CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595632504 981856683 /nfs/dbraw/zinc/85/66/83/981856683.db2.gz ZZBITSXJJAABMI-HOCLYGCPSA-N -1 0 311.466 3.990 20 0 DHADRM CCCC[C@H](CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595632503 981856984 /nfs/dbraw/zinc/85/69/84/981856984.db2.gz ZZBITSXJJAABMI-GOEBONIOSA-N -1 0 311.466 3.990 20 0 DHADRM CCCC[C@H](CC)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC001595632887 981862102 /nfs/dbraw/zinc/86/21/02/981862102.db2.gz UXVOMFUIAUUBIK-AWEZNQCLSA-N -1 0 305.418 3.650 20 0 DHADRM CCCC[C@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c(OC)c1 ZINC001595633021 981864382 /nfs/dbraw/zinc/86/43/82/981864382.db2.gz ZRHLYKIPRYRART-LBPRGKRZSA-N -1 0 308.374 3.905 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595633295 981869427 /nfs/dbraw/zinc/86/94/27/981869427.db2.gz GVFAREPVHNBGEY-RVKKMQEKSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@H](CCC)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001595633795 981877237 /nfs/dbraw/zinc/87/72/37/981877237.db2.gz WUAVXQRHBUYMMF-HNNXBMFYSA-N -1 0 305.418 3.793 20 0 DHADRM CCCC[C@@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001595635430 981903292 /nfs/dbraw/zinc/90/32/92/981903292.db2.gz UATRQSGGAVRQDE-YMAMQOFZSA-N -1 0 311.466 3.989 20 0 DHADRM CCC(C)(C)CC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001594808274 981915404 /nfs/dbraw/zinc/91/54/04/981915404.db2.gz LRVLDSXQWSCFTF-ORAYPTAESA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@H](NC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC001595637907 981938037 /nfs/dbraw/zinc/93/80/37/981938037.db2.gz YOLRGZCGCNGANW-ZDUSSCGKSA-N -1 0 305.399 3.583 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001594815535 981942410 /nfs/dbraw/zinc/94/24/10/981942410.db2.gz CUHUAFCOSOECRN-IBGZPJMESA-N -1 0 317.429 3.701 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC001594815997 981948611 /nfs/dbraw/zinc/94/86/11/981948611.db2.gz YISZZZKLCYARSH-UHFFFAOYSA-N -1 0 304.390 3.503 20 0 DHADRM CCCC[C@H](N[C@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638770 981950274 /nfs/dbraw/zinc/95/02/74/981950274.db2.gz DYXVPHFDZSRAFX-YOEHRIQHSA-N -1 0 317.385 3.611 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC001595651280 982019275 /nfs/dbraw/zinc/01/92/75/982019275.db2.gz DSMGHLGFWFFLQR-GXTWGEPZSA-N -1 0 309.431 3.699 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)sc1C ZINC000910621430 982028418 /nfs/dbraw/zinc/02/84/18/982028418.db2.gz LDZCBPYBWLEROO-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000910623331 982031872 /nfs/dbraw/zinc/03/18/72/982031872.db2.gz CIZNQEVTDPUSFJ-UHFFFAOYSA-N -1 0 315.369 3.598 20 0 DHADRM CC[C@H](C)n1ncc(NC(=O)CC(C)(C)CC(=O)[O-])c1C1CC1 ZINC000910648643 982040408 /nfs/dbraw/zinc/04/04/08/982040408.db2.gz LXMHJMPYFJSSCT-NSHDSACASA-N -1 0 321.421 3.561 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(C2CCC2)cn1 ZINC000910664114 982047543 /nfs/dbraw/zinc/04/75/43/982047543.db2.gz UUOZOIPBUIHBCI-UHFFFAOYSA-N -1 0 324.380 3.619 20 0 DHADRM CCC(CC)(CC(=O)Nc1cc(Cl)cc(F)c1F)C(=O)[O-] ZINC000443028456 1014794118 /nfs/dbraw/zinc/79/41/18/1014794118.db2.gz DYWWDQJPPHBHPG-UHFFFAOYSA-N -1 0 319.735 3.838 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nccc(C)c2C2CC2)c1 ZINC000910683116 982059579 /nfs/dbraw/zinc/05/95/79/982059579.db2.gz OMLAUGFVQSAKHF-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1F ZINC000313230057 1014795370 /nfs/dbraw/zinc/79/53/70/1014795370.db2.gz VNRGTJBYEYHCNQ-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001594842509 982062697 /nfs/dbraw/zinc/06/26/97/982062697.db2.gz UVRAULHNNYAWIK-MRXNPFEDSA-N -1 0 318.398 3.893 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910696836 982068205 /nfs/dbraw/zinc/06/82/05/982068205.db2.gz IVEBMSXVKKGCJX-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM CC[C@](C)(NCc1cc(C(=O)[O-])ccc1F)c1nc(C)cs1 ZINC001594852128 982091402 /nfs/dbraw/zinc/09/14/02/982091402.db2.gz CSEQBDFSLKKREU-INIZCTEOSA-N -1 0 322.405 3.704 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595666353 982101750 /nfs/dbraw/zinc/10/17/50/982101750.db2.gz JJPNHJWZYKDMKX-NSHDSACASA-N -1 0 317.389 3.806 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910741457 982103975 /nfs/dbraw/zinc/10/39/75/982103975.db2.gz JCFJVYHPLFNDMB-UHFFFAOYSA-N -1 0 322.411 3.649 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595668548 982109930 /nfs/dbraw/zinc/10/99/30/982109930.db2.gz AUDZKFKHMFMYQU-RHSMWYFYSA-N -1 0 317.429 3.631 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595668550 982110045 /nfs/dbraw/zinc/11/00/45/982110045.db2.gz AUDZKFKHMFMYQU-YOEHRIQHSA-N -1 0 317.429 3.631 20 0 DHADRM CCCCC[C@@H](CC)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595670514 982119288 /nfs/dbraw/zinc/11/92/88/982119288.db2.gz RANGTSWLDJNAFX-CQSZACIVSA-N -1 0 321.417 3.616 20 0 DHADRM CCCCC[C@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)[O-] ZINC001595670526 982119410 /nfs/dbraw/zinc/11/94/10/982119410.db2.gz RBPOKFDCEUTNNV-RUMSDORHSA-N -1 0 323.820 3.893 20 0 DHADRM CCC[C@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910807753 982129043 /nfs/dbraw/zinc/12/90/43/982129043.db2.gz QENTXXCILRPPAN-KWCHVYNWSA-N -1 0 323.820 3.593 20 0 DHADRM CCCCC[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C(C)(C)C ZINC001595672252 982132448 /nfs/dbraw/zinc/13/24/48/982132448.db2.gz HJRWOWFQHNREMH-COJSNBRMSA-N -1 0 324.465 3.534 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-] ZINC001595676566 982148291 /nfs/dbraw/zinc/14/82/91/982148291.db2.gz MZRMMAUMGFTTDR-CYBMUJFWSA-N -1 0 303.358 3.505 20 0 DHADRM CC[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594865328 982165827 /nfs/dbraw/zinc/16/58/27/982165827.db2.gz TYPPABQRNLJZDW-QPUJVOFHSA-N -1 0 318.200 3.624 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(O[C@@H](C)CC)cc1)C(=O)[O-] ZINC001595681996 982166190 /nfs/dbraw/zinc/16/61/90/982166190.db2.gz ZLDLCPHIPLUIPK-XJKSGUPXSA-N -1 0 321.417 3.627 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595691087 982205208 /nfs/dbraw/zinc/20/52/08/982205208.db2.gz ZHMGYEWFEGNFCB-AWEZNQCLSA-N -1 0 320.433 3.905 20 0 DHADRM CCCCCC[C@](C)(CCC)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001595694917 982215537 /nfs/dbraw/zinc/21/55/37/982215537.db2.gz KYRLHMABJZQTCN-DLBZAZTESA-N -1 0 315.429 3.788 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595695335 982217878 /nfs/dbraw/zinc/21/78/78/982217878.db2.gz SRTRMMKYHKFLNN-GMKVZWAMSA-N -1 0 323.477 3.989 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835235 1014817397 /nfs/dbraw/zinc/81/73/97/1014817397.db2.gz FRBGRWBSIRJYOL-MNOVXSKESA-N -1 0 321.471 3.843 20 0 DHADRM Cc1cc(NC(=O)C2(c3cccnc3)CCCC2)cc(C(=O)[O-])c1 ZINC000911067144 982224022 /nfs/dbraw/zinc/22/40/22/982224022.db2.gz KULBIWCUEFGGQR-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[O-])N1CC[C@@H](CCOC)c2ccccc21 ZINC001594878852 982226764 /nfs/dbraw/zinc/22/67/64/982226764.db2.gz YQKMEUOIGIBYRH-GRDNDAEWSA-N -1 0 305.418 3.516 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000911083542 982230585 /nfs/dbraw/zinc/23/05/85/982230585.db2.gz VPCKHUUPUXOAPT-UHFFFAOYSA-N -1 0 321.417 3.831 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001594881168 982236378 /nfs/dbraw/zinc/23/63/78/982236378.db2.gz AVEKEHDZNZTVNS-YNEHKIRRSA-N -1 0 306.406 3.506 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC001595697455 982241412 /nfs/dbraw/zinc/24/14/12/982241412.db2.gz KDOKHDRLHYUZMP-AWEZNQCLSA-N -1 0 320.433 3.848 20 0 DHADRM CCCCCC[C@H](CC)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595698820 982254948 /nfs/dbraw/zinc/25/49/48/982254948.db2.gz VGQASOSZVXFKPS-ZDUSSCGKSA-N -1 0 306.406 3.644 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001595699161 982256384 /nfs/dbraw/zinc/25/63/84/982256384.db2.gz WXZUWMMSMMYHSM-ZDUSSCGKSA-N -1 0 308.422 3.782 20 0 DHADRM CCCCCC[C@@H](O)CCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595703509 982269828 /nfs/dbraw/zinc/26/98/28/982269828.db2.gz UDSKFEDSYMPDNL-OAHLLOKOSA-N -1 0 321.417 3.743 20 0 DHADRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)c1cccc(C)c1C ZINC000911221184 982291047 /nfs/dbraw/zinc/29/10/47/982291047.db2.gz RBGPTQGRENZBPH-UHFFFAOYSA-N -1 0 301.342 3.570 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001595710877 982297065 /nfs/dbraw/zinc/29/70/65/982297065.db2.gz MYHDEHCBZNJOLT-KBPBESRZSA-N -1 0 321.417 3.799 20 0 DHADRM CCCCCCOc1ccc(Br)nc1C(=O)[O-] ZINC001595710876 982296947 /nfs/dbraw/zinc/29/69/47/982296947.db2.gz MVHWEUONOMQLQL-UHFFFAOYSA-N -1 0 302.168 3.501 20 0 DHADRM CCCCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595721395 982334659 /nfs/dbraw/zinc/33/46/59/982334659.db2.gz IDVMETLFJCGLBO-UHFFFAOYSA-N -1 0 306.387 3.911 20 0 DHADRM CCCCCc1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC001595728078 982358192 /nfs/dbraw/zinc/35/81/92/982358192.db2.gz QQTUWQVELRMJEO-UHFFFAOYSA-N -1 0 304.390 3.548 20 0 DHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1 ZINC001595735832 982379962 /nfs/dbraw/zinc/37/99/62/982379962.db2.gz MRFTZYIIFTTYQW-ZIAGYGMSSA-N -1 0 318.417 3.601 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001594911789 982418241 /nfs/dbraw/zinc/41/82/41/982418241.db2.gz JVCCYELZIVOWSI-IAQYHMDHSA-N -1 0 317.410 3.644 20 0 DHADRM CCCCN(Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1F ZINC001595749040 982419193 /nfs/dbraw/zinc/41/91/93/982419193.db2.gz BACHDOQRPHMVIB-UHFFFAOYSA-N -1 0 316.376 3.721 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594927991 982530567 /nfs/dbraw/zinc/53/05/67/982530567.db2.gz BGIAOPIRCQWUBB-CABCVRRESA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc(C)n1C1CCCCC1)C(=O)[O-] ZINC001594930144 982551258 /nfs/dbraw/zinc/55/12/58/982551258.db2.gz VSDPYGZLPOYMCQ-ZWNOBZJWSA-N -1 0 311.451 3.683 20 0 DHADRM CC(C)Oc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000322144859 1014858725 /nfs/dbraw/zinc/85/87/25/1014858725.db2.gz XKWWTHVZBMKKQJ-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911668933 982595500 /nfs/dbraw/zinc/59/55/00/982595500.db2.gz VIWPLAAFPPKUTM-LLVKDONJSA-N -1 0 323.355 3.505 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-] ZINC001594937624 982601472 /nfs/dbraw/zinc/60/14/72/982601472.db2.gz XGBQFEMJCFEJGH-AEGPPILISA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001594940150 982612768 /nfs/dbraw/zinc/61/27/68/982612768.db2.gz XXKKGHCTKYWOOA-JLJPHGGASA-N -1 0 317.429 3.502 20 0 DHADRM CCCCc1nc(CSc2ncccc2C(=O)[O-])cs1 ZINC001595799445 982613026 /nfs/dbraw/zinc/61/30/26/982613026.db2.gz QRCITJUICNJFNI-UHFFFAOYSA-N -1 0 308.428 3.871 20 0 DHADRM CCCCc1noc([C@@H](C)Oc2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001595802234 982617800 /nfs/dbraw/zinc/61/78/00/982617800.db2.gz HJWXZFVXMZLLFG-SNVBAGLBSA-N -1 0 322.336 3.698 20 0 DHADRM CC(C)C[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737725 982619888 /nfs/dbraw/zinc/61/98/88/982619888.db2.gz IAKFAIZJWQBHBV-GFCCVEGCSA-N -1 0 307.390 3.793 20 0 DHADRM CCCCc1noc(CSCc2cc(C(=O)[O-])ccc2F)n1 ZINC001595802606 982619961 /nfs/dbraw/zinc/61/99/61/982619961.db2.gz NDOBBRSBPCLGEN-UHFFFAOYSA-N -1 0 324.377 3.683 20 0 DHADRM CC[C@@H](C)C[C@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594952794 982673860 /nfs/dbraw/zinc/67/38/60/982673860.db2.gz MTKCLJXEWKUSIV-RNCFNFMXSA-N -1 0 307.781 3.585 20 0 DHADRM CC[C@H](C)CCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594956897 982690847 /nfs/dbraw/zinc/69/08/47/982690847.db2.gz IDJCEPAHNAGLAR-NSHDSACASA-N -1 0 300.358 3.698 20 0 DHADRM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001594958012 982693704 /nfs/dbraw/zinc/69/37/04/982693704.db2.gz OTCQMUNQFZSWNT-BXUZGUMPSA-N -1 0 321.417 3.517 20 0 DHADRM CC[C@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594958144 982695345 /nfs/dbraw/zinc/69/53/45/982695345.db2.gz RRNMCJBPMDERMQ-LKFCYVNXSA-N -1 0 315.772 3.547 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001594959040 982702863 /nfs/dbraw/zinc/70/28/63/982702863.db2.gz JHGUZISIQYTNRG-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CC[C@H](C)CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594959439 982707235 /nfs/dbraw/zinc/70/72/35/982707235.db2.gz UGJNGCXQIDOSJJ-XJKSGUPXSA-N -1 0 323.408 3.717 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001594959528 982707736 /nfs/dbraw/zinc/70/77/36/982707736.db2.gz XIEUBTJBKOWFQE-NSHDSACASA-N -1 0 317.389 3.806 20 0 DHADRM CCCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001595828069 982714688 /nfs/dbraw/zinc/71/46/88/982714688.db2.gz ZHLHIWLYQKVGEP-ZDUSSCGKSA-N -1 0 301.386 3.579 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000923089157 982715525 /nfs/dbraw/zinc/71/55/25/982715525.db2.gz CKMZXIFCUJCBIQ-UHFFFAOYSA-N -1 0 321.373 3.810 20 0 DHADRM CCc1cc(=O)n(-c2cc(Cl)ccc2Br)[n-]1 ZINC000723470149 1014874941 /nfs/dbraw/zinc/87/49/41/1014874941.db2.gz ZQMBNMMCQQZHCE-UHFFFAOYSA-N -1 0 301.571 3.605 20 0 DHADRM CC(C)c1cnc(CN[C@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000656569742 1014880111 /nfs/dbraw/zinc/88/01/11/1014880111.db2.gz SEGQWAVNGFCFSZ-WBMJQRKESA-N -1 0 318.442 3.613 20 0 DHADRM CCCN(CCC)c1ccc(Nc2ccc(C(=O)[O-])nn2)cc1 ZINC001595880066 982885921 /nfs/dbraw/zinc/88/59/21/982885921.db2.gz VVHHLSXOTUALDL-UHFFFAOYSA-N -1 0 314.389 3.545 20 0 DHADRM CC[C@@H](C)Oc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001595008002 982926987 /nfs/dbraw/zinc/92/69/87/982926987.db2.gz KBEBIGGRHPZSFI-GFCCVEGCSA-N -1 0 302.374 3.513 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1csc(C(C)(C)C)n1 ZINC001116325310 982928486 /nfs/dbraw/zinc/92/84/86/982928486.db2.gz ACSHAXLXFWRBHP-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\C2CCCCC2)cc1 ZINC001116491167 982931047 /nfs/dbraw/zinc/93/10/47/982931047.db2.gz HDEGUPJDZPPKJS-QJWNTBNXSA-N -1 0 315.413 3.764 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001595010095 982938633 /nfs/dbraw/zinc/93/86/33/982938633.db2.gz MZDMQXHADYTIKK-XEZPLFJOSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595010551 982941635 /nfs/dbraw/zinc/94/16/35/982941635.db2.gz TVWBNPKHTXCLLO-AWEZNQCLSA-N -1 0 317.429 3.965 20 0 DHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000443420961 1014909620 /nfs/dbraw/zinc/90/96/20/1014909620.db2.gz AVEPVVWAOSVJGN-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCCNc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC001595936620 983076640 /nfs/dbraw/zinc/07/66/40/983076640.db2.gz JEYXIFQUCUGCHX-UHFFFAOYSA-N -1 0 322.748 3.705 20 0 DHADRM CCCOc1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595967018 983176734 /nfs/dbraw/zinc/17/67/34/983176734.db2.gz ZWRGENYHRIJGAP-UHFFFAOYSA-N -1 0 303.333 3.925 20 0 DHADRM CCCc1c(C(=O)N2CCC(CC)(CC)C2)[nH]c(C)c1C(=O)[O-] ZINC001596029569 983296061 /nfs/dbraw/zinc/29/60/61/983296061.db2.gz AGXUJBYGVZKWEF-UHFFFAOYSA-N -1 0 320.433 3.626 20 0 DHADRM CCCc1c(C(=O)NCCCCC(C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037617 983321657 /nfs/dbraw/zinc/32/16/57/983321657.db2.gz KAOUQUBKGYOGDY-UHFFFAOYSA-N -1 0 322.449 3.920 20 0 DHADRM CCCc1ccc([C@@H](NC(=O)[C@H](CC)C(=O)[O-])C(C)C)cc1 ZINC001596062183 983370805 /nfs/dbraw/zinc/37/08/05/983370805.db2.gz ATFBKHVHKKPMSE-HOTGVXAUSA-N -1 0 305.418 3.563 20 0 DHADRM CCCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001596063165 983374508 /nfs/dbraw/zinc/37/45/08/983374508.db2.gz TXTNTCAFIQLODO-UHFFFAOYSA-N -1 0 314.337 3.565 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)NC1(C(=O)[O-])CC1 ZINC001596069338 983384222 /nfs/dbraw/zinc/38/42/22/983384222.db2.gz XEHJCJRRJPEMJE-UHFFFAOYSA-N -1 0 304.390 3.501 20 0 DHADRM CCN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596138669 983489564 /nfs/dbraw/zinc/48/95/64/983489564.db2.gz VVXNHUVIULIVSS-MGPQQGTHSA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc2[nH]ccc2c1 ZINC001596138642 983489582 /nfs/dbraw/zinc/48/95/82/983489582.db2.gz VKMRXAFZWANVMP-XQRVVYSFSA-N -1 0 324.336 3.525 20 0 DHADRM CC(C)[C@H]1CC[C@H](Oc2n[n-]c(=O)cc2Br)CC1 ZINC001226850318 1014951700 /nfs/dbraw/zinc/95/17/00/1014951700.db2.gz USKMNDCERASZIJ-MGCOHNPYSA-N -1 0 315.211 3.538 20 0 DHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001596150804 983511058 /nfs/dbraw/zinc/51/10/58/983511058.db2.gz PGONPVHUWKBOJR-UHFFFAOYSA-N -1 0 320.370 3.513 20 0 DHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596156967 983517128 /nfs/dbraw/zinc/51/71/28/983517128.db2.gz RJPWIUPDEFRMPD-JKSUJKDBSA-N -1 0 309.365 3.541 20 0 DHADRM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cc(C)cc(C)c1 ZINC001596156939 983517202 /nfs/dbraw/zinc/51/72/02/983517202.db2.gz QNKZMMBGCFJNCC-JKSUJKDBSA-N -1 0 303.402 3.547 20 0 DHADRM C=Cc1ccccc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588478738 983517826 /nfs/dbraw/zinc/51/78/26/983517826.db2.gz KDNKTFYHWMSJGM-MRXNPFEDSA-N -1 0 322.364 3.546 20 0 DHADRM CCN(C(=O)c1ccccc1CCC(=O)[O-])c1cccc(C)c1 ZINC001596170322 983535099 /nfs/dbraw/zinc/53/50/99/983535099.db2.gz AITNELYLDLKDGV-UHFFFAOYSA-N -1 0 311.381 3.679 20 0 DHADRM CCN(CC(C)C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001596230895 983624929 /nfs/dbraw/zinc/62/49/29/983624929.db2.gz AVNLXGKIEFQBHP-UHFFFAOYSA-N -1 0 310.419 3.617 20 0 DHADRM O=C([O-])CN(C(=O)Nc1ccc(C2CCC2)cc1)C1CCCC1 ZINC000581532948 1014971482 /nfs/dbraw/zinc/97/14/82/1014971482.db2.gz VALICNWLNWMPAH-UHFFFAOYSA-N -1 0 316.401 3.815 20 0 DHADRM CCN(CCCSc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC001596328833 983765449 /nfs/dbraw/zinc/76/54/49/983765449.db2.gz BYLXFENIAQERKU-UHFFFAOYSA-N -1 0 321.364 3.751 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1F)c1cccc(OC)c1 ZINC001596355780 983821972 /nfs/dbraw/zinc/82/19/72/983821972.db2.gz DNUOYKABCLFWKS-UHFFFAOYSA-N -1 0 303.333 3.559 20 0 DHADRM CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001596371598 983871122 /nfs/dbraw/zinc/87/11/22/983871122.db2.gz QNDMJCJXWILJEE-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001596371704 983872313 /nfs/dbraw/zinc/87/23/13/983872313.db2.gz IDJSBVIUVZEHQC-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM CCN(Cc1occc1C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001596380551 983902724 /nfs/dbraw/zinc/90/27/24/983902724.db2.gz NIMVIXNJZJHDNH-UHFFFAOYSA-N -1 0 316.357 3.649 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])Cc1ncc(-c2ccccc2)s1 ZINC000665351304 1015009626 /nfs/dbraw/zinc/00/96/26/1015009626.db2.gz ZEGGVSNWVSJLQS-UHFFFAOYSA-N -1 0 318.442 3.743 20 0 DHADRM CC1(F)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000684327043 1015034864 /nfs/dbraw/zinc/03/48/64/1015034864.db2.gz WUNVRMOFHHBOPD-UHFFFAOYSA-N -1 0 319.763 3.897 20 0 DHADRM C=COc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001588913623 984555661 /nfs/dbraw/zinc/55/56/61/984555661.db2.gz HCRHBVJOYKNNDX-UHFFFAOYSA-N -1 0 316.288 3.690 20 0 DHADRM C=Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001588919390 984571493 /nfs/dbraw/zinc/57/14/93/984571493.db2.gz JZKLQWRYVHGNPK-UHFFFAOYSA-N -1 0 317.728 3.639 20 0 DHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001588938542 984622378 /nfs/dbraw/zinc/62/23/78/984622378.db2.gz HDRBDJILBXQABM-XFXZXTDPSA-N -1 0 321.804 3.647 20 0 DHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)C(C)(C)C ZINC001588939882 984632077 /nfs/dbraw/zinc/63/20/77/984632077.db2.gz UTTLKEYKMRGSGH-DDKJEQMHSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001588943921 984642681 /nfs/dbraw/zinc/64/26/81/984642681.db2.gz JAGKOTLJQBTFPB-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C\C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccco1 ZINC001588945593 984653536 /nfs/dbraw/zinc/65/35/36/984653536.db2.gz KQBLJHGCOZHPMA-PKNBQFBNSA-N -1 0 322.320 3.568 20 0 DHADRM C/C(=C\C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1)c1ccco1 ZINC001588947033 984658006 /nfs/dbraw/zinc/65/80/06/984658006.db2.gz UVWRBBBLKUXWSR-VQHVLOKHSA-N -1 0 320.370 3.600 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001588955832 984699652 /nfs/dbraw/zinc/69/96/52/984699652.db2.gz AIHVLSAXOXNWIB-LUBWCMHZSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001588956559 984705481 /nfs/dbraw/zinc/70/54/81/984705481.db2.gz SZPIJHNKKUFKGG-PKNBQFBNSA-N -1 0 308.399 3.761 20 0 DHADRM C[C@H](OC(=O)Cc1ccc(F)c(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001599904448 984904998 /nfs/dbraw/zinc/90/49/98/984904998.db2.gz KIOWATDTLXQTNB-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904935 984909995 /nfs/dbraw/zinc/90/99/95/984909995.db2.gz LINMKQBQOWBJCE-LRDDRELGSA-N -1 0 316.328 3.570 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588996128 984931806 /nfs/dbraw/zinc/93/18/06/984931806.db2.gz ZXSNIFSGYMMLNP-WKOYGUFESA-N -1 0 321.376 3.613 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588997671 984931933 /nfs/dbraw/zinc/93/19/33/984931933.db2.gz AAIAVTBDBQTMMP-CLFYSBASSA-N -1 0 319.357 3.936 20 0 DHADRM CC(/C=C1/C(=O)Nc2cc(F)c(C(=O)[O-])cc21)=C/c1ccccc1 ZINC001589001488 984945516 /nfs/dbraw/zinc/94/55/16/984945516.db2.gz KRYURPHUGVCZOO-WIFBXHMDSA-N -1 0 323.323 3.963 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001589004155 984962101 /nfs/dbraw/zinc/96/21/01/984962101.db2.gz YZXJCFNVPQESJR-MARXPDLDSA-N -1 0 323.820 3.749 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001589010471 984978574 /nfs/dbraw/zinc/97/85/74/984978574.db2.gz MYFWWQDWGSWQJM-HHQWOOOKSA-N -1 0 313.353 3.585 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001589010694 984982318 /nfs/dbraw/zinc/98/23/18/984982318.db2.gz PJBBEZNSYHZFNA-BENRWUELSA-N -1 0 314.337 3.651 20 0 DHADRM CCOC(=O)c1ccc(S[C@@H](C(=O)[O-])[C@@H](C)CC)c(F)c1 ZINC001596728090 984985321 /nfs/dbraw/zinc/98/53/21/984985321.db2.gz BRWVZWKOQKGOEM-TVQRCGJNSA-N -1 0 314.378 3.594 20 0 DHADRM C[C@H]1CN(C(=O)C=C2CCC(C(C)(C)C)CC2)C[C@]1(C)C(=O)[O-] ZINC001599915929 985056236 /nfs/dbraw/zinc/05/62/36/985056236.db2.gz YTMDYYSQCPTIKL-SHZHJNINSA-N -1 0 321.461 3.718 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccn2)cc1 ZINC000656738308 1015106825 /nfs/dbraw/zinc/10/68/25/1015106825.db2.gz CRMMFBLQWQCGPW-NSHDSACASA-N -1 0 308.378 3.535 20 0 DHADRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000033804099 1015113884 /nfs/dbraw/zinc/11/38/84/1015113884.db2.gz GOGNYKGYXBYJKW-UHFFFAOYSA-N -1 0 319.279 3.645 20 0 DHADRM CC(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656765260 1015137436 /nfs/dbraw/zinc/13/74/36/1015137436.db2.gz NFDFTOVPEGRZDV-ILXRZTDVSA-N -1 0 322.474 3.732 20 0 DHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ccccc2F)c(C)c1C(=O)[O-] ZINC001599948699 985572452 /nfs/dbraw/zinc/57/24/52/985572452.db2.gz REKHVCKNMPGICO-SNVBAGLBSA-N -1 0 321.373 3.832 20 0 DHADRM Cc1[nH]c(C(=O)CSCC(C)(C)C(C)C)c(C)c1C(=O)[O-] ZINC001599949482 985584164 /nfs/dbraw/zinc/58/41/64/985584164.db2.gz GOATYJMVGRTCGZ-UHFFFAOYSA-N -1 0 311.447 3.928 20 0 DHADRM Cc1[nH]c(C(=O)N(CCC(C)C)CCC(C)C)c(C)c1C(=O)[O-] ZINC001599950227 985595017 /nfs/dbraw/zinc/59/50/17/985595017.db2.gz FOWQNKFSYVXBAP-UHFFFAOYSA-N -1 0 322.449 3.864 20 0 DHADRM Cc1[nH]c(C(=O)Nc2ccc(F)c(C3CC3)c2)c(C)c1C(=O)[O-] ZINC001599954626 985667379 /nfs/dbraw/zinc/66/73/79/985667379.db2.gz LHWIYUIZBCZNRO-UHFFFAOYSA-N -1 0 316.332 3.599 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@@H](C)CC(C)(C)C ZINC001599955936 985688855 /nfs/dbraw/zinc/68/88/55/985688855.db2.gz XTZFZWNBMYXWOF-SNVBAGLBSA-N -1 0 308.422 3.522 20 0 DHADRM Cc1[nH]c(CN2CCc3cc(C(C)(C)C)ccc32)cc1C(=O)[O-] ZINC001599964819 985882582 /nfs/dbraw/zinc/88/25/82/985882582.db2.gz WSQHDUQPFCBANG-UHFFFAOYSA-N -1 0 312.413 3.882 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC001589262491 985930326 /nfs/dbraw/zinc/93/03/26/985930326.db2.gz ZOCFQPCXNSWEIH-UHFFFAOYSA-N -1 0 323.757 3.555 20 0 DHADRM CC(=O)c1ccc(Cl)cc1OCc1cccc(C(=O)[O-])c1 ZINC001589283537 986011107 /nfs/dbraw/zinc/01/11/07/986011107.db2.gz FMPQYHNTYDBDPI-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CC(=O)c1ccc2ccccc2c1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001589306190 986072000 /nfs/dbraw/zinc/07/20/00/986072000.db2.gz ROTQCXHVKQSHAN-UHFFFAOYSA-N -1 0 323.304 3.586 20 0 DHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C=C3CCCC3)ccc2n1C ZINC001599985611 986222648 /nfs/dbraw/zinc/22/26/48/986222648.db2.gz GXRXBCANTLCDPR-UHFFFAOYSA-N -1 0 313.353 3.591 20 0 DHADRM CCOc1c(Cl)cc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC001596993220 986281845 /nfs/dbraw/zinc/28/18/45/986281845.db2.gz ZDSQKVKPCBGPHE-JEZHCXPESA-N -1 0 318.200 3.913 20 0 DHADRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001594583816 986452097 /nfs/dbraw/zinc/45/20/97/986452097.db2.gz PVOWAZFKEYYPHU-IINYFYTJSA-N -1 0 302.761 3.631 20 0 DHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccccc1F ZINC001589391667 986509762 /nfs/dbraw/zinc/50/97/62/986509762.db2.gz QJBJMFBUADHTGS-ZDUSSCGKSA-N -1 0 321.392 3.613 20 0 DHADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001589407548 986599878 /nfs/dbraw/zinc/59/98/78/986599878.db2.gz VCIKNRSJNMQDBC-LBPRGKRZSA-N -1 0 323.820 3.595 20 0 DHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001594614938 986629694 /nfs/dbraw/zinc/62/96/94/986629694.db2.gz JEVMVZCAZLRJMB-JTQLQIEISA-N -1 0 315.756 3.630 20 0 DHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000390897026 1015235892 /nfs/dbraw/zinc/23/58/92/1015235892.db2.gz QOCOTXYCCYHEKG-UHFFFAOYSA-N -1 0 312.369 3.558 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@@H](C)Cc2ccccc21 ZINC001594623342 986674689 /nfs/dbraw/zinc/67/46/89/986674689.db2.gz ZSVVEZWWHPTXGG-WDEREUQCSA-N -1 0 302.399 3.601 20 0 DHADRM C[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(C)(F)F ZINC001589438797 986766426 /nfs/dbraw/zinc/76/64/26/986766426.db2.gz BEVBEZSVHSXPTD-SSDOTTSWSA-N -1 0 313.325 3.829 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)c(C(=O)[O-])c1F ZINC001597112830 986782017 /nfs/dbraw/zinc/78/20/17/986782017.db2.gz OKJFAEUTSLJVKT-GHMZBOCLSA-N -1 0 323.364 3.687 20 0 DHADRM C[C@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(F)cc1F ZINC001589445968 986817770 /nfs/dbraw/zinc/81/77/70/986817770.db2.gz ZVVZPPMFJKYMJM-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C1CC1 ZINC001589448923 986832468 /nfs/dbraw/zinc/83/24/68/986832468.db2.gz WLSTXPROZAYXJO-VIFPVBQESA-N -1 0 307.415 3.700 20 0 DHADRM CCOc1cccc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC001597154874 986944361 /nfs/dbraw/zinc/94/43/61/986944361.db2.gz BWRFHYQXKXVKJG-UHFFFAOYSA-N -1 0 324.739 3.583 20 0 DHADRM CCOc1cccc(CSCc2cccc(C(=O)[O-])c2)n1 ZINC001597155246 986948313 /nfs/dbraw/zinc/94/83/13/986948313.db2.gz JLDLRFBCBUAMFH-UHFFFAOYSA-N -1 0 303.383 3.612 20 0 DHADRM CCOc1cccc(CSCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001597155603 986951927 /nfs/dbraw/zinc/95/19/27/986951927.db2.gz PIVNNXSJXIFJCA-UHFFFAOYSA-N -1 0 321.373 3.751 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)C1CCC1 ZINC001589470689 986955523 /nfs/dbraw/zinc/95/55/23/986955523.db2.gz BGRGPNBBSRPWSO-GYODFTTFSA-N -1 0 321.461 3.859 20 0 DHADRM C[C@@H]1Sc2ccccc2N(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1C ZINC001594665257 986957588 /nfs/dbraw/zinc/95/75/88/986957588.db2.gz CLIUBKGHCKJGMC-RYUDHWBXSA-N -1 0 321.442 3.793 20 0 DHADRM C[C@H]1Sc2ccccc2N(Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001594665417 986958875 /nfs/dbraw/zinc/95/88/75/986958875.db2.gz FQZGEQHJTSCSBC-NWDGAFQWSA-N -1 0 314.410 3.669 20 0 DHADRM C[C@@H]1c2sccc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594674460 986996587 /nfs/dbraw/zinc/99/65/87/986996587.db2.gz QVBXNJNSOMYMFP-MRVPVSSYSA-N -1 0 322.411 3.659 20 0 DHADRM C/C=C(\C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594676740 987008756 /nfs/dbraw/zinc/00/87/56/987008756.db2.gz DJSHBROXJPPYLD-KTROKBFUSA-N -1 0 303.141 3.629 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)CC ZINC001594678021 987018888 /nfs/dbraw/zinc/01/88/88/987018888.db2.gz ZYCWJIOOHQEPIQ-JSAGYHNASA-N -1 0 322.430 3.990 20 0 DHADRM CCOc1ccccc1N(C)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001597178196 987024757 /nfs/dbraw/zinc/02/47/57/987024757.db2.gz DLOLPHACNCTJIG-UHFFFAOYSA-N -1 0 316.401 3.871 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594685880 987059064 /nfs/dbraw/zinc/05/90/64/987059064.db2.gz HZOILLMVLGJSTM-JDGPPOGSSA-N -1 0 321.804 3.857 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001594686464 987066582 /nfs/dbraw/zinc/06/65/82/987066582.db2.gz WGQIOWHPXZDXHE-QUCGXOGASA-N -1 0 308.403 3.656 20 0 DHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581728589 1015275135 /nfs/dbraw/zinc/27/51/35/1015275135.db2.gz OKGDBJDVAIBPQO-CKUJCDMFSA-N -1 0 309.450 3.599 20 0 DHADRM CC/C(=C/C(=O)NC(CC)(CC)C(=O)[O-])c1ccc(C)cc1 ZINC001594690565 987081122 /nfs/dbraw/zinc/08/11/22/987081122.db2.gz BPUOLSRQYHZFMP-OWBHPGMISA-N -1 0 303.402 3.548 20 0 DHADRM CCC(=CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)CC ZINC001594691406 987090681 /nfs/dbraw/zinc/09/06/81/987090681.db2.gz ULWQBPVMKBKOBL-HOTGVXAUSA-N -1 0 301.386 3.550 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC001589504830 987116302 /nfs/dbraw/zinc/11/63/02/987116302.db2.gz NNDZOXGLMNJMHL-VXGBXAGGSA-N -1 0 316.357 3.693 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCC[Si](C)(C)C)cc1 ZINC001589504835 987116424 /nfs/dbraw/zinc/11/64/24/987116424.db2.gz NUAWNFHGGPUPSN-GFCCVEGCSA-N -1 0 307.466 3.932 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC001589508467 987129017 /nfs/dbraw/zinc/12/90/17/987129017.db2.gz KGLWLQDYHRCQET-YEWDVWPNSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)cc1 ZINC001589513964 987161363 /nfs/dbraw/zinc/16/13/63/987161363.db2.gz YVRNEKQXGCPFMO-IUODEOHRSA-N -1 0 316.401 3.719 20 0 DHADRM CCC(=O)c1ccc(OCc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001594721013 987201987 /nfs/dbraw/zinc/20/19/87/987201987.db2.gz HVXXGSOPTQLNLE-UHFFFAOYSA-N -1 0 324.376 3.975 20 0 DHADRM CC[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)C1CCC(C)CC1 ZINC001594729193 987240832 /nfs/dbraw/zinc/24/08/32/987240832.db2.gz GAIJRLKJABPKQY-PREGVCBESA-N -1 0 323.477 3.942 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)C(C)C ZINC001597251476 987241844 /nfs/dbraw/zinc/24/18/44/987241844.db2.gz NNIKMIZJBWBDRB-ZDUSSCGKSA-N -1 0 313.394 3.549 20 0 DHADRM CC[C@H](C(=O)N1CCCCC[C@@H]1C(=O)[O-])C1CCC(C)CC1 ZINC001594729793 987245978 /nfs/dbraw/zinc/24/59/78/987245978.db2.gz LDISOSVKIQAHAD-SSHXOBKSSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589540683 987246565 /nfs/dbraw/zinc/24/65/65/987246565.db2.gz OVRSFIPVDCMXKJ-NOZJJQNGSA-N -1 0 314.328 3.501 20 0 DHADRM CC[C@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001594730777 987252923 /nfs/dbraw/zinc/25/29/23/987252923.db2.gz YCBJPZFUSHKFBW-HNNXBMFYSA-N -1 0 323.408 3.667 20 0 DHADRM CC[C@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)C1CCC(C)CC1 ZINC001594735609 987269899 /nfs/dbraw/zinc/26/98/99/987269899.db2.gz NOQMKJATTRKWAS-NHNAUAITSA-N -1 0 324.446 3.941 20 0 DHADRM CC[C@@H](C(=O)NCc1ccccc1C(=O)[O-])C1CCC(C)CC1 ZINC001594735713 987270885 /nfs/dbraw/zinc/27/08/85/987270885.db2.gz DTZHYWIXKOZRMR-ZBCRRDGASA-N -1 0 317.429 3.854 20 0 DHADRM C[C@H](C(=O)Oc1cccc2c(CC(=O)[O-])cccc12)C1CCC1 ZINC001589552493 987286653 /nfs/dbraw/zinc/28/66/53/987286653.db2.gz GBMAPPXFPXSSHL-LBPRGKRZSA-N -1 0 312.365 3.809 20 0 DHADRM CCSCc1ccccc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001597267483 987302406 /nfs/dbraw/zinc/30/24/06/987302406.db2.gz KPZUVGPXHURTKL-UHFFFAOYSA-N -1 0 316.378 3.857 20 0 DHADRM CCSc1ccc(CC(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597272327 987319922 /nfs/dbraw/zinc/31/99/22/987319922.db2.gz DVOCOFPZGSWGES-KBPBESRZSA-N -1 0 322.426 3.528 20 0 DHADRM CCSc1ccc([C@H](C)Nc2cc(CC(=O)[O-])ccn2)cc1 ZINC001597273495 987329948 /nfs/dbraw/zinc/32/99/48/987329948.db2.gz YAYGGMTXTRWUKB-LBPRGKRZSA-N -1 0 316.426 3.994 20 0 DHADRM CCSc1ccc([C@@H](C)Nc2cc(CC(=O)[O-])ccn2)cc1 ZINC001597273494 987329991 /nfs/dbraw/zinc/32/99/91/987329991.db2.gz YAYGGMTXTRWUKB-GFCCVEGCSA-N -1 0 316.426 3.994 20 0 DHADRM CCSc1cccc(F)c1NCc1nc(C(=O)[O-])cs1 ZINC001597277242 987334172 /nfs/dbraw/zinc/33/41/72/987334172.db2.gz KOLFBAZIIPANPE-UHFFFAOYSA-N -1 0 312.391 3.705 20 0 DHADRM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1F ZINC001597349254 987483648 /nfs/dbraw/zinc/48/36/48/987483648.db2.gz AFAXXDHXDSIAOL-INIZCTEOSA-N -1 0 305.324 3.904 20 0 DHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C1C(C)(C)C1(C)C ZINC001589617249 987491559 /nfs/dbraw/zinc/49/15/59/987491559.db2.gz XZQHYUXNXWMTLY-UHFFFAOYSA-N -1 0 317.429 3.561 20 0 DHADRM CC[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC001597354740 987498130 /nfs/dbraw/zinc/49/81/30/987498130.db2.gz MNLPYUMTNATAOO-UMSPYCQHSA-N -1 0 308.353 3.614 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccccc2Cl)c1 ZINC001589650600 987598370 /nfs/dbraw/zinc/59/83/70/987598370.db2.gz LPSKSUUYPWRDFI-UHFFFAOYSA-N -1 0 318.756 3.921 20 0 DHADRM CCc1c(-c2csc(CCCC(=O)[O-])n2)[nH]c(C)c1C(C)=O ZINC001597400699 987664675 /nfs/dbraw/zinc/66/46/75/987664675.db2.gz IMVXSQRTAOLKRS-UHFFFAOYSA-N -1 0 320.414 3.619 20 0 DHADRM CC(C)(C)C(C)(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589698759 987782507 /nfs/dbraw/zinc/78/25/07/987782507.db2.gz ACMRKLNFNIUBMW-UHFFFAOYSA-N -1 0 318.373 3.671 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](C)c1ccco1 ZINC001597451746 987842856 /nfs/dbraw/zinc/84/28/56/987842856.db2.gz GHCQJBKMIMCQHX-LLVKDONJSA-N -1 0 316.357 3.765 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C)(C)C1(C)C ZINC001597453047 987853278 /nfs/dbraw/zinc/85/32/78/987853278.db2.gz KDKHFHDYCXGVLX-UHFFFAOYSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@@H]1C ZINC001597453861 987857475 /nfs/dbraw/zinc/85/74/75/987857475.db2.gz UGKGCPUINLSRGW-LBPRGKRZSA-N -1 0 304.390 3.744 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001597457622 987875914 /nfs/dbraw/zinc/87/59/14/987875914.db2.gz MTWUUVQSDWNAID-JYAVWHMHSA-N -1 0 318.417 3.893 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC001597457659 987876469 /nfs/dbraw/zinc/87/64/69/987876469.db2.gz NGTBGZQWRWKXFZ-ATCWAGBWSA-N -1 0 318.417 3.893 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCC[C@H]1C=CCC1 ZINC001597457936 987878323 /nfs/dbraw/zinc/87/83/23/987878323.db2.gz POKXRAYUYRJQPK-ZDUSSCGKSA-N -1 0 316.401 3.815 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001589726882 987915485 /nfs/dbraw/zinc/91/54/85/987915485.db2.gz TVAZPZFKVBSRHB-UHFFFAOYSA-N -1 0 318.417 3.961 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001589728172 987927576 /nfs/dbraw/zinc/92/75/76/987927576.db2.gz FQJRKRZVPLHEQJ-QWRGUYRKSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001589728209 987929169 /nfs/dbraw/zinc/92/91/69/987929169.db2.gz GDTYFASRTWCFFM-CHWSQXEVSA-N -1 0 307.390 3.703 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597471543 987935712 /nfs/dbraw/zinc/93/57/12/987935712.db2.gz SEQZGSRAVGZJAJ-JKSUJKDBSA-N -1 0 317.429 3.949 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001589729153 987941156 /nfs/dbraw/zinc/94/11/56/987941156.db2.gz UKYGBEIKLYSZMW-GBJTYRQASA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589729178 987941373 /nfs/dbraw/zinc/94/13/73/987941373.db2.gz VMPRXPXUEHRDGQ-DZGCQCFKSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589729312 987942701 /nfs/dbraw/zinc/94/27/01/987942701.db2.gz WVUUGUXHQAPSRC-ZIAGYGMSSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001589729391 987943806 /nfs/dbraw/zinc/94/38/06/987943806.db2.gz YBTMMUIUGUJOJP-JKSUJKDBSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001589732110 987955154 /nfs/dbraw/zinc/95/51/54/987955154.db2.gz FTYCZPJUCNJCFE-CYBMUJFWSA-N -1 0 321.392 3.812 20 0 DHADRM CCc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1 ZINC001597492826 988032587 /nfs/dbraw/zinc/03/25/87/988032587.db2.gz XUVFFPORQGOMQJ-HDJSIYSDSA-N -1 0 300.358 3.657 20 0 DHADRM CCc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001597502881 988069501 /nfs/dbraw/zinc/06/95/01/988069501.db2.gz KTCBXVGSRKJXIG-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM Cc1oc([C@H](C)N2CCc3c([nH]c4ccccc43)C2)cc1C(=O)[O-] ZINC000581830069 1015358029 /nfs/dbraw/zinc/35/80/29/1015358029.db2.gz XYJCYEJXIJYIQB-NSHDSACASA-N -1 0 324.380 3.887 20 0 DHADRM O=C(Cc1ccc(F)c(F)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435481 1015360168 /nfs/dbraw/zinc/36/01/68/1015360168.db2.gz AYQMCVOKWCMWFR-UHFFFAOYSA-N -1 0 315.678 3.644 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474436169 1015360413 /nfs/dbraw/zinc/36/04/13/1015360413.db2.gz DPPDPSXSKINUME-CYBMUJFWSA-N -1 0 315.772 3.861 20 0 DHADRM CSCCCSCCOc1ccc(C(=O)[O-])cc1Cl ZINC001599799496 988152380 /nfs/dbraw/zinc/15/23/80/988152380.db2.gz CJVQNJCVXHSXSJ-UHFFFAOYSA-N -1 0 320.863 3.903 20 0 DHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC001597530078 988180455 /nfs/dbraw/zinc/18/04/55/988180455.db2.gz DDVUUFPBXAJKHH-SFHVURJKSA-N -1 0 309.365 3.911 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001597530454 988183982 /nfs/dbraw/zinc/18/39/82/988183982.db2.gz AVOWDDGIYHINLS-NSHDSACASA-N -1 0 315.344 3.829 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597530731 988188037 /nfs/dbraw/zinc/18/80/37/988188037.db2.gz LNHOYLISBIMPOK-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CSCc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1 ZINC001599802584 988200768 /nfs/dbraw/zinc/20/07/68/988200768.db2.gz NFSPMUWESIJZDG-UHFFFAOYSA-N -1 0 324.446 3.706 20 0 DHADRM CCc1ccc(NC(=O)c2cccc3cnccc32)c(C(=O)[O-])c1 ZINC001597550887 988270401 /nfs/dbraw/zinc/27/04/01/988270401.db2.gz PCNPYLHESSKSDI-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1ccc(N[C@H](C(=O)[O-])c2cccc(OC)c2)cc1OC ZINC001597551354 988273776 /nfs/dbraw/zinc/27/37/76/988273776.db2.gz GDHIRPZYLOIVDD-KRWDZBQOSA-N -1 0 315.369 3.504 20 0 DHADRM CSc1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(C)o1 ZINC001599807141 988274077 /nfs/dbraw/zinc/27/40/77/988274077.db2.gz IIQZXRGVBSCHKE-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC001597552097 988279720 /nfs/dbraw/zinc/27/97/20/988279720.db2.gz RYYXJGIPVQRVKD-UHFFFAOYSA-N -1 0 303.333 3.707 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599807625 988281358 /nfs/dbraw/zinc/28/13/58/988281358.db2.gz QHBYBDBZVBYJPS-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1cc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)ccc1F ZINC001599807798 988283952 /nfs/dbraw/zinc/28/39/52/988283952.db2.gz XBXDMLPXROENAQ-QMMMGPOBSA-N -1 0 324.329 3.757 20 0 DHADRM CSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599809612 988310551 /nfs/dbraw/zinc/31/05/51/988310551.db2.gz LTKFZHMSXJNPQF-QGZVFWFLSA-N -1 0 321.442 3.562 20 0 DHADRM CCc1ccc2c(CNc3ccc(C(=O)[O-])cc3)cc(=O)oc2c1 ZINC001597569834 988341013 /nfs/dbraw/zinc/34/10/13/988341013.db2.gz YUHMVJBMJUMYKD-UHFFFAOYSA-N -1 0 323.348 3.666 20 0 DHADRM CSc1ccc(/C=C/C(=O)Oc2ccc(C(=O)[O-])cc2)s1 ZINC001599813570 988380818 /nfs/dbraw/zinc/38/08/18/988380818.db2.gz XQQOLFBCFZIURN-SOFGYWHQSA-N -1 0 320.391 3.787 20 0 DHADRM CCc1cccc(CC(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001597584480 988390400 /nfs/dbraw/zinc/39/04/00/988390400.db2.gz CGTOSHBKTNDLMW-UHFFFAOYSA-N -1 0 316.328 3.543 20 0 DHADRM CSc1ccc(CSCc2cncc(C(=O)[O-])c2)cc1 ZINC001599814319 988394242 /nfs/dbraw/zinc/39/42/42/988394242.db2.gz GPPBBHSONZZXTD-UHFFFAOYSA-N -1 0 305.424 3.935 20 0 DHADRM CCc1cccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001597586834 988405971 /nfs/dbraw/zinc/40/59/71/988405971.db2.gz LRHNFMFKDVAUEM-UHFFFAOYSA-N -1 0 312.369 3.577 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)sc1C ZINC001597590615 988412590 /nfs/dbraw/zinc/41/25/90/988412590.db2.gz BBZXPXDSPNEGOS-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM CSc1ccc(NC(=O)CCc2cccs2)cc1C(=O)[O-] ZINC001599815323 988412933 /nfs/dbraw/zinc/41/29/33/988412933.db2.gz GDODJGWVKUCPPR-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccsc1Cl ZINC001597591806 988417422 /nfs/dbraw/zinc/41/74/22/988417422.db2.gz JEJGDFHVHYVIIT-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM CCc1cccc(F)c1CNCc1ccc(C(=O)[O-])cc1F ZINC001597592657 988421955 /nfs/dbraw/zinc/42/19/55/988421955.db2.gz KLOZWJDCNIUSOP-UHFFFAOYSA-N -1 0 305.324 3.515 20 0 DHADRM CCc1cccc(N(C)C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001597593656 988429560 /nfs/dbraw/zinc/42/95/60/988429560.db2.gz YAVJBCDJVNEZPW-UHFFFAOYSA-N -1 0 304.371 3.677 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1C(=O)[O-] ZINC001599816573 988436829 /nfs/dbraw/zinc/43/68/29/988436829.db2.gz HTUASZAPJCIRKF-SNVBAGLBSA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)N(C)C2CC(C)(C)C2)cc1C(=O)[O-] ZINC001599817065 988445600 /nfs/dbraw/zinc/44/56/00/988445600.db2.gz QBQDFIQMGOXJTM-UHFFFAOYSA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001599818098 988462869 /nfs/dbraw/zinc/46/28/69/988462869.db2.gz NAOZEJCOLINGMO-CQSZACIVSA-N -1 0 322.430 3.564 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(C)s2)cc1C(=O)[O-] ZINC001599818091 988462955 /nfs/dbraw/zinc/46/29/55/988462955.db2.gz ZDCGNZDFPMGANH-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1ccc(NC(=O)NC[C@@H]2CCC[C@H]2C)cc1C(=O)[O-] ZINC001599818420 988468923 /nfs/dbraw/zinc/46/89/23/988468923.db2.gz GFECUYDPHKTNJU-MNOVXSKESA-N -1 0 322.430 3.664 20 0 DHADRM CSc1cccc(C)c1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599823947 988564086 /nfs/dbraw/zinc/56/40/86/988564086.db2.gz KILAAALQRZNQKP-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1cccc(NC(=O)c2ccsc2C(=O)[O-])c1C ZINC001599824735 988577970 /nfs/dbraw/zinc/57/79/70/988577970.db2.gz NGJUQULGZDZLDW-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2c(CC)cccc2C(=O)[O-])s1 ZINC001597657292 988717045 /nfs/dbraw/zinc/71/70/45/988717045.db2.gz IPSXQCCOTYSLSE-UHFFFAOYSA-N -1 0 318.398 3.527 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])s1 ZINC001597658365 988724256 /nfs/dbraw/zinc/72/42/56/988724256.db2.gz XNXLBIOCLPBTIO-UHFFFAOYSA-N -1 0 324.427 3.643 20 0 DHADRM C[C@@](CC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000013250213 1015415711 /nfs/dbraw/zinc/41/57/11/1015415711.db2.gz JODADIWPFBQMCB-KRWDZBQOSA-N -1 0 317.772 3.711 20 0 DHADRM CCc1nc(NC(=O)/C=C(\C)c2cccs2)sc1C(=O)[O-] ZINC001597678759 988800784 /nfs/dbraw/zinc/80/07/84/988800784.db2.gz WMNAAQDJLQJUSX-BQYQJAHWSA-N -1 0 322.411 3.507 20 0 DHADRM CCc1nc2ccc(NCc3ccoc3C(=O)[O-])cc2s1 ZINC001597690323 988868367 /nfs/dbraw/zinc/86/83/67/988868367.db2.gz DABJCNLDRTYXDC-UHFFFAOYSA-N -1 0 302.355 3.762 20 0 DHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(Cl)ccc1O)CO2 ZINC000474533137 1015435742 /nfs/dbraw/zinc/43/57/42/1015435742.db2.gz HTGJPNWMJMHGEJ-CYBMUJFWSA-N -1 0 317.772 3.777 20 0 DHADRM CCc1nocc1CNc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001597756601 989175607 /nfs/dbraw/zinc/17/56/07/989175607.db2.gz NPTZCLJAHDZRCP-UHFFFAOYSA-N -1 0 315.156 3.854 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(CC)c1ccccc1OC ZINC001597761516 989188011 /nfs/dbraw/zinc/18/80/11/989188011.db2.gz IVUTZVAXHDOUFQ-UHFFFAOYSA-N -1 0 303.358 3.575 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2c(Cl)cccc2C1 ZINC001597766525 989214925 /nfs/dbraw/zinc/21/49/25/989214925.db2.gz UGLIPEAGVNQZBP-UHFFFAOYSA-N -1 0 319.788 3.752 20 0 DHADRM CCc1oc(CN(C)c2cccc(SC)c2)cc1C(=O)[O-] ZINC001597792666 989332685 /nfs/dbraw/zinc/33/26/85/989332685.db2.gz DENHIGSAYIWFGE-UHFFFAOYSA-N -1 0 305.399 3.899 20 0 DHADRM 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1022740714 /nfs/dbraw/zinc/74/07/14/1022740714.db2.gz NGLFYNAAVUDCBS-AWEZNQCLSA-N -1 0 305.418 3.720 20 0 DHADRM CC[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccc(C)c(F)c1 ZINC001127604444 1022757216 /nfs/dbraw/zinc/75/72/16/1022757216.db2.gz GFIUZXXXEJOKFJ-OAHLLOKOSA-N -1 0 305.324 3.860 20 0 DHADRM Cc1ccc(C(C)(C)CNC(=O)c2cccc(F)c2[O-])cc1 ZINC001125905657 1022757126 /nfs/dbraw/zinc/75/71/26/1022757126.db2.gz UALVJFHERQFMKO-UHFFFAOYSA-N -1 0 301.361 3.547 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](C2CCC2)C1 ZINC000856171624 1022762193 /nfs/dbraw/zinc/76/21/93/1022762193.db2.gz MIZIRNFGWBFUFJ-CYBMUJFWSA-N -1 0 316.426 3.769 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000856170048 1022762578 /nfs/dbraw/zinc/76/25/78/1022762578.db2.gz ZFNICFCBCKHSFQ-UHFFFAOYSA-N -1 0 315.417 3.624 20 0 DHADRM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000417531136 1022768503 /nfs/dbraw/zinc/76/85/03/1022768503.db2.gz IWBAAVHJRBQVMG-CQSZACIVSA-N -1 0 307.440 3.694 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000263540243 1022773763 /nfs/dbraw/zinc/77/37/63/1022773763.db2.gz QLEUFYCQZVUYAU-UHFFFAOYSA-N -1 0 301.342 3.591 20 0 DHADRM CC(C)CC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621545066 1022789062 /nfs/dbraw/zinc/78/90/62/1022789062.db2.gz JOJCVNKPRYRJLK-KRWDZBQOSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1 ZINC000621589170 1022795421 /nfs/dbraw/zinc/79/54/21/1022795421.db2.gz POFKQWNWPNUADU-JCGIZDLHSA-N -1 0 323.392 3.607 20 0 DHADRM CCCc1csc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)n1 ZINC000417583640 1022796324 /nfs/dbraw/zinc/79/63/24/1022796324.db2.gz MGDDRQQFPLJUOS-MRXNPFEDSA-N -1 0 318.442 3.574 20 0 DHADRM CCc1ccc(-c2ccc(CN[C@H](CC(F)F)C(=O)[O-])o2)cc1 ZINC000417589076 1022798837 /nfs/dbraw/zinc/79/88/37/1022798837.db2.gz GJUZYEGOQBRSDY-CQSZACIVSA-N -1 0 323.339 3.707 20 0 DHADRM Cc1ccc(C)c(C(=O)NC(C)(C)c2ccccc2)c1C(=O)[O-] ZINC000391924862 1022799548 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O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccc1 ZINC000652055729 1023101208 /nfs/dbraw/zinc/10/12/08/1023101208.db2.gz LIDOFIYPNPFYNB-ULQDDVLXSA-N -1 0 315.413 3.535 20 0 DHADRM Cc1ccc(C2=CCN(C(=O)c3ccc(C)cc3O)CC2)cc1 ZINC000053643132 1023106836 /nfs/dbraw/zinc/10/68/36/1023106836.db2.gz DYBOCRTUAABVFM-UHFFFAOYSA-N -1 0 307.393 3.939 20 0 DHADRM C[C@H](CC(=O)Nc1ccc2[n-]c(=S)oc2c1)n1cccc1 ZINC000769245644 1023107094 /nfs/dbraw/zinc/10/70/94/1023107094.db2.gz KJKQRBHEPCUPMY-SNVBAGLBSA-N -1 0 301.371 3.508 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1 ZINC000769244307 1023107514 /nfs/dbraw/zinc/10/75/14/1023107514.db2.gz OTYHACBIPQAOGF-SECBINFHSA-N -1 0 316.357 3.998 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000769244947 1023107837 /nfs/dbraw/zinc/10/78/37/1023107837.db2.gz UYVMTRQGDFIYGG-UHFFFAOYSA-N -1 0 313.382 3.887 20 0 DHADRM COc1cc2cccnc2c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211657484 1023117729 /nfs/dbraw/zinc/11/77/29/1023117729.db2.gz PKUPIDMHFRDZAL-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000622337408 1023118758 /nfs/dbraw/zinc/11/87/58/1023118758.db2.gz XVPZAKPGUUVLHN-QMMMGPOBSA-N -1 0 302.827 3.543 20 0 DHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1Cc2ccccc2C1 ZINC000622358712 1023120324 /nfs/dbraw/zinc/12/03/24/1023120324.db2.gz XXHRMEVHVRMKAE-UHFFFAOYSA-N -1 0 307.271 3.567 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000236699294 1023167477 /nfs/dbraw/zinc/16/74/77/1023167477.db2.gz UTGXKRQJGIWFPF-MRXNPFEDSA-N -1 0 313.344 3.508 20 0 DHADRM O=C([N-]CC/C=C\c1ccc(Br)cc1)C(F)(F)F ZINC000859255575 1033114063 /nfs/dbraw/zinc/11/40/63/1033114063.db2.gz OPFLGDCARGVCKY-IWQZZHSRSA-N -1 0 322.124 3.531 20 0 DHADRM O=C(Nc1cc(F)c(F)c(F)c1)c1c([O-])cccc1Cl ZINC000769907209 1023230778 /nfs/dbraw/zinc/23/07/78/1023230778.db2.gz IXSPEOUDPGKGGI-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(C)c2)c(F)cc1F ZINC001211658339 1023255583 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1034412463 /nfs/dbraw/zinc/41/24/63/1034412463.db2.gz LSJMKYURWQMQGV-VOTSOKGWSA-N -1 0 317.366 3.685 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cnccc2Br)c1 ZINC001174495788 1034413598 /nfs/dbraw/zinc/41/35/98/1034413598.db2.gz XIFWKTXQWAFALE-SNAWJCMRSA-N -1 0 319.158 3.686 20 0 DHADRM COc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(OC)c1F ZINC001174497480 1034414515 /nfs/dbraw/zinc/41/45/15/1034414515.db2.gz UPKPRSIYVHVNBN-RMKNXTFCSA-N -1 0 317.316 3.684 20 0 DHADRM CCS(=O)(=O)c1ccc(Nc2ccc([S-])c(OC)c2)cc1 ZINC001174466016 1034427268 /nfs/dbraw/zinc/42/72/68/1034427268.db2.gz PAJUQBQXRABLAO-UHFFFAOYSA-N -1 0 323.439 3.521 20 0 DHADRM Cc1cccc(OCCCNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000024239810 1034464125 /nfs/dbraw/zinc/46/41/25/1034464125.db2.gz LWIICLPLVISVGO-UHFFFAOYSA-N -1 0 319.788 3.553 20 0 DHADRM COCCn1cc(Nc2cc(C(F)(F)F)ccc2[S-])cn1 ZINC001174551890 1034503997 /nfs/dbraw/zinc/50/39/97/1034503997.db2.gz RGLGRIGGJAOLKO-UHFFFAOYSA-N -1 0 317.336 3.581 20 0 DHADRM CCCN(C(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC000899237803 1034535581 /nfs/dbraw/zinc/53/55/81/1034535581.db2.gz BDWAOOZUTUTNRN-QMMMGPOBSA-N -1 0 319.188 3.710 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(Cl)cc(Cl)n1 ZINC001174671519 1034540734 /nfs/dbraw/zinc/54/07/34/1034540734.db2.gz XWFDRYOQLVXBFU-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(F)(F)F)nc1 ZINC001174671503 1034541154 /nfs/dbraw/zinc/54/11/54/1034541154.db2.gz XBJXYTGFUBHFMQ-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(C)=O)cc1Cl ZINC001174675749 1034542341 /nfs/dbraw/zinc/54/23/41/1034542341.db2.gz SQAMVEGEKYXHOC-UHFFFAOYSA-N -1 0 319.744 3.993 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(C)=O)c(Cl)c1 ZINC001174675740 1034542753 /nfs/dbraw/zinc/54/27/53/1034542753.db2.gz SLTHPZWBLMDPCR-UHFFFAOYSA-N -1 0 319.744 3.993 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(SC)c(OC)c1 ZINC001174676827 1034543310 /nfs/dbraw/zinc/54/33/10/1034543310.db2.gz ITWAQKYPWOQWGN-UHFFFAOYSA-N -1 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305.280 3.819 20 0 DHADRM O=c1cc(Nc2cc(C(F)(F)F)ccc2F)nc(Cl)[n-]1 ZINC001175076366 1034798277 /nfs/dbraw/zinc/79/82/77/1034798277.db2.gz VOWGQJKSZOPUDZ-UHFFFAOYSA-N -1 0 307.634 3.737 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(OC(F)(F)F)nc2)cc1F ZINC001175161729 1034817805 /nfs/dbraw/zinc/81/78/05/1034817805.db2.gz RNAKGDDMNMOFSI-UHFFFAOYSA-N -1 0 316.210 3.561 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)cc1F ZINC001175154908 1034817951 /nfs/dbraw/zinc/81/79/51/1034817951.db2.gz XXECEPKYXBGEJE-UHFFFAOYSA-N -1 0 315.348 3.653 20 0 DHADRM O=C([O-])c1ccc(Nc2c3nsnc3ccc2Cl)cc1F ZINC001175158715 1034819304 /nfs/dbraw/zinc/81/93/04/1034819304.db2.gz VEPCMKMJEZAFQF-UHFFFAOYSA-N -1 0 323.736 3.926 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)[C@@H](O)CCC3)cc1F ZINC001175160648 1034821958 /nfs/dbraw/zinc/82/19/58/1034821958.db2.gz LGLSZOAYKAGZPU-INIZCTEOSA-N -1 0 301.317 3.637 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(CC2CCC2)n1 ZINC001175159102 1034822187 /nfs/dbraw/zinc/82/21/87/1034822187.db2.gz 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CCOc1ccc(F)c(F)c1[N-]c1nnc(-c2ccco2)o1 ZINC001175279653 1034895634 /nfs/dbraw/zinc/89/56/34/1034895634.db2.gz COVZMSKGGIBLKN-UHFFFAOYSA-N -1 0 307.256 3.750 20 0 DHADRM CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899800971 1034898900 /nfs/dbraw/zinc/89/89/00/1034898900.db2.gz IYTJRMSQAWVKST-OCCSQVGLSA-N -1 0 323.458 3.721 20 0 DHADRM Cc1ccc([C@H](CC(=O)N(C)c2cccc(C)c2)C(=O)[O-])cc1 ZINC000899798065 1034898912 /nfs/dbraw/zinc/89/89/12/1034898912.db2.gz GROLPQWNFIRRKS-KRWDZBQOSA-N -1 0 311.381 3.525 20 0 DHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000899796092 1034901968 /nfs/dbraw/zinc/90/19/68/1034901968.db2.gz HRIXHUWXGHPBFC-GDBMZVCRSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cs1 ZINC000899835005 1034912413 /nfs/dbraw/zinc/91/24/13/1034912413.db2.gz VWJUHZARVRZNIT-CQSZACIVSA-N -1 0 303.383 3.562 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1CN1CCc2sccc2C1 ZINC001142647494 1034916551 /nfs/dbraw/zinc/91/65/51/1034916551.db2.gz 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1034936418 /nfs/dbraw/zinc/93/64/18/1034936418.db2.gz XWPZWYZWLDZNLX-UHFFFAOYSA-N -1 0 321.174 3.782 20 0 DHADRM O=C([O-])c1cccc(Nc2ccc(O)cc2Br)c1 ZINC001175330647 1034936837 /nfs/dbraw/zinc/93/68/37/1034936837.db2.gz IIBFJXRRFIUOCC-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM COC(=O)c1ccc(Cl)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175329943 1034936855 /nfs/dbraw/zinc/93/68/55/1034936855.db2.gz DGPRIQUDOICBCC-UHFFFAOYSA-N -1 0 305.717 3.568 20 0 DHADRM Cc1cccc(Nc2cccc(C(=O)[O-])c2)c1N1CCCCC1=O ZINC001175334268 1034938327 /nfs/dbraw/zinc/93/83/27/1034938327.db2.gz BXULHWVOMKADHT-UHFFFAOYSA-N -1 0 324.380 3.954 20 0 DHADRM O=S(=O)([O-])c1ccc(Nc2cccc3ccsc32)cc1 ZINC001175385793 1034964779 /nfs/dbraw/zinc/96/47/79/1034964779.db2.gz JWRNPENYJOGBAL-UHFFFAOYSA-N -1 0 305.380 3.892 20 0 DHADRM CCCn1nc(C)cc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001175798355 1035108082 /nfs/dbraw/zinc/10/80/82/1035108082.db2.gz JEHSTZMQTCCVPD-UHFFFAOYSA-N -1 0 319.167 3.892 20 0 DHADRM COc1ccc(Nc2cccc(C(C)C)c2)c(S(=O)(=O)[O-])c1 ZINC001175778532 1035117705 /nfs/dbraw/zinc/11/77/05/1035117705.db2.gz GSIUMRGUQMWARH-UHFFFAOYSA-N -1 0 321.398 3.809 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC001175843057 1035130830 /nfs/dbraw/zinc/13/08/30/1035130830.db2.gz HQNCRVQAMXGZDJ-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM CC(=O)c1ccc(Nc2cncc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001175842677 1035130953 /nfs/dbraw/zinc/13/09/53/1035130953.db2.gz ACQSEUBZGPYNBY-UHFFFAOYSA-N -1 0 324.258 3.745 20 0 DHADRM O=C([O-])c1cncc(Nc2c(F)cccc2OC2CCCC2)c1 ZINC001175843789 1035131902 /nfs/dbraw/zinc/13/19/02/1035131902.db2.gz ZNXGVHSWPSUPTH-UHFFFAOYSA-N -1 0 316.332 3.984 20 0 DHADRM O=C([O-])Cn1cc(Nc2cc(Cl)c(Cl)c(Cl)c2)cn1 ZINC001176271673 1035240528 /nfs/dbraw/zinc/24/05/28/1035240528.db2.gz ZCUVWXWCPLRONK-UHFFFAOYSA-N -1 0 320.563 3.672 20 0 DHADRM S=c1[n-]c2ccc(Nc3ccc4nonc4c3)cc2s1 ZINC001176325685 1035240556 /nfs/dbraw/zinc/24/05/56/1035240556.db2.gz IYMFOMZDVVNKIX-UHFFFAOYSA-N -1 0 300.368 3.865 20 0 DHADRM CC(C)OC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176438811 1035263863 /nfs/dbraw/zinc/26/38/63/1035263863.db2.gz BFZJMYBQYZJQDG-UHFFFAOYSA-N -1 0 305.355 3.755 20 0 DHADRM COC(=O)c1c(C)c(C)sc1Nc1csc(C(=O)[O-])c1 ZINC001176437560 1035264126 /nfs/dbraw/zinc/26/41/26/1035264126.db2.gz YIYWPQNGICPZBU-UHFFFAOYSA-N -1 0 311.384 3.655 20 0 DHADRM CC(=O)Nc1ccc(Nc2csc(C(=O)[O-])c2)cc1Cl ZINC001176439087 1035264194 /nfs/dbraw/zinc/26/41/94/1035264194.db2.gz JPWBKKUESNDDTF-UHFFFAOYSA-N -1 0 310.762 3.802 20 0 DHADRM O=C([O-])c1cc(Nc2c(F)c(F)nc(F)c2Cl)cs1 ZINC001176436854 1035264212 /nfs/dbraw/zinc/26/42/12/1035264212.db2.gz PIJWRFXZAHJJDA-UHFFFAOYSA-N -1 0 308.668 3.656 20 0 DHADRM O=C([O-])c1cc(Nc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC001176439563 1035265156 /nfs/dbraw/zinc/26/51/56/1035265156.db2.gz SCRHDCGYRMGJRA-UHFFFAOYSA-N -1 0 309.215 3.885 20 0 DHADRM Nc1cccc(C(F)(F)F)c1Nc1csc(C(=O)[O-])c1 ZINC001176440792 1035265226 /nfs/dbraw/zinc/26/52/26/1035265226.db2.gz 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CC[C@@H](C)Sc1ccc(-c2nc(=O)c3nscc3[n-]2)cc1 ZINC000905031645 1035477802 /nfs/dbraw/zinc/47/78/02/1035477802.db2.gz LMVPGACQJLCTBO-SECBINFHSA-N -1 0 317.439 3.937 20 0 DHADRM O=C([N-]Cc1cccc(C(F)F)c1)C(F)(F)C(F)(F)Cl ZINC001179780105 1035499551 /nfs/dbraw/zinc/49/95/51/1035499551.db2.gz PBPRTEYMOSKUFD-UHFFFAOYSA-N -1 0 319.632 3.707 20 0 DHADRM CCOc1nc(C(=O)[N-]c2c(F)cccc2SCC)co1 ZINC000905712393 1035619332 /nfs/dbraw/zinc/61/93/32/1035619332.db2.gz IBPIIDJSCWOXCE-UHFFFAOYSA-N -1 0 310.350 3.577 20 0 DHADRM CC(C)[C@H]1C[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC000905758811 1035645221 /nfs/dbraw/zinc/64/52/21/1035645221.db2.gz HDIHLVNOPTXYGS-GOEBONIOSA-N -1 0 314.385 3.549 20 0 DHADRM CC(C)OC(=O)Nc1c(Cl)ccc(Br)c1[O-] ZINC001193497025 1035645461 /nfs/dbraw/zinc/64/54/61/1035645461.db2.gz WQZCQHYWBBMCPB-UHFFFAOYSA-N -1 0 308.559 3.765 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1)N(Cc1nc(C(=O)[O-])co1)C1CC1 ZINC000568992003 1035674011 /nfs/dbraw/zinc/67/40/11/1035674011.db2.gz 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CC[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccc(Cl)c1 ZINC000261616046 332397362 /nfs/dbraw/zinc/39/73/62/332397362.db2.gz FTBCYOYMTPTGKS-CYBMUJFWSA-N -1 0 309.793 3.552 20 0 DHADRM CCOc1cccc(-c2cc(C)ccc2OCCC(=O)[O-])c1 ZINC000569623758 332436958 /nfs/dbraw/zinc/43/69/58/332436958.db2.gz SRRZIJPWCPBGLO-UHFFFAOYSA-N -1 0 300.354 3.914 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000261849768 332552349 /nfs/dbraw/zinc/55/23/49/332552349.db2.gz JJRCOCKYFPVWHJ-ARFHVFGLSA-N -1 0 315.413 3.859 20 0 DHADRM Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC000168568290 332578680 /nfs/dbraw/zinc/57/86/80/332578680.db2.gz YPIMKMLJKXBRHQ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCc1cncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000562495441 332598757 /nfs/dbraw/zinc/59/87/57/332598757.db2.gz MQIIWLAMQLSRQC-UHFFFAOYSA-N -1 0 311.168 3.909 20 0 DHADRM Cc1c2ccccc2oc1C(=O)NCCCCCCCC(=O)[O-] ZINC000262264060 332610373 /nfs/dbraw/zinc/61/03/73/332610373.db2.gz XBPVQCJWHJSBSI-UHFFFAOYSA-N -1 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3.554 20 0 DHADRM CCc1ncc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)s1 ZINC000460784494 333141091 /nfs/dbraw/zinc/14/10/91/333141091.db2.gz PBOWWBNXWTVYLH-UHFFFAOYSA-N -1 0 310.444 3.630 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000499189113 333320208 /nfs/dbraw/zinc/32/02/08/333320208.db2.gz OFLSQSBIAOLHGS-CYBMUJFWSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1ccc(O)c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531230795 333336694 /nfs/dbraw/zinc/33/66/94/333336694.db2.gz DPHGTGWUGKFYTH-RYUDHWBXSA-N -1 0 315.335 3.799 20 0 DHADRM C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184170766 333343222 /nfs/dbraw/zinc/34/32/22/333343222.db2.gz HWGUIBLTKKEJBZ-NSHDSACASA-N -1 0 321.779 3.936 20 0 DHADRM Cc1cc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000184210007 333347501 /nfs/dbraw/zinc/34/75/01/333347501.db2.gz VAJLJDVMXZPFQD-UHFFFAOYSA-N -1 0 311.715 3.562 20 0 DHADRM CCc1sc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000063008975 333351226 /nfs/dbraw/zinc/35/12/26/333351226.db2.gz 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ZINC000414110479 333894854 /nfs/dbraw/zinc/89/48/54/333894854.db2.gz WAKROJLINLRRRX-UHFFFAOYSA-N -1 0 307.415 3.691 20 0 DHADRM O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc(Cl)c1[O-] ZINC000436859192 334009635 /nfs/dbraw/zinc/00/96/35/334009635.db2.gz RPVLSFLYWICSHH-UHFFFAOYSA-N -1 0 318.735 3.596 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)NCCCCCC(=O)[O-])s1 ZINC000414605958 334039711 /nfs/dbraw/zinc/03/97/11/334039711.db2.gz DLDQFKPRLURTLG-CYBMUJFWSA-N -1 0 324.446 3.548 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000414619022 334043077 /nfs/dbraw/zinc/04/30/77/334043077.db2.gz SKCYEBJUGDNJIF-HNNXBMFYSA-N -1 0 320.433 3.670 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414628339 334046690 /nfs/dbraw/zinc/04/66/90/334046690.db2.gz OTOUXOHXGBPQFP-UHFFFAOYSA-N -1 0 320.433 3.596 20 0 DHADRM O=C([O-])C1CCC(N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000414634681 334048800 /nfs/dbraw/zinc/04/88/00/334048800.db2.gz CWWHDGALSSINBG-GDKBPFBDSA-N -1 0 319.298 3.662 20 0 DHADRM Cc1sc(CNCc2cccc(C(=O)[O-])c2)nc1C(C)C ZINC000414637038 334049682 /nfs/dbraw/zinc/04/96/82/334049682.db2.gz LJILNFBYLDMVLX-UHFFFAOYSA-N -1 0 304.415 3.563 20 0 DHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000170972483 334123043 /nfs/dbraw/zinc/12/30/43/334123043.db2.gz SSJCICXLNJJAGB-ICSGCJEQSA-N -1 0 321.486 3.613 20 0 DHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000170972481 334123084 /nfs/dbraw/zinc/12/30/84/334123084.db2.gz SSJCICXLNJJAGB-AOSWFRPUSA-N -1 0 321.486 3.613 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283018018 334138664 /nfs/dbraw/zinc/13/86/64/334138664.db2.gz JNZZDNPXGCUAOO-RKDXNWHRSA-N -1 0 302.827 3.591 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2ccccc2Cl)cc1Cl ZINC000048806943 334298607 /nfs/dbraw/zinc/29/86/07/334298607.db2.gz MOXGDFHFKGVXPL-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM CCc1ccc2[nH]c(-c3ccc(OCCC(=O)[O-])cc3)nc2c1 ZINC000534628690 334304881 /nfs/dbraw/zinc/30/48/81/334304881.db2.gz NLKKICUTBHWWAT-UHFFFAOYSA-N -1 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ZINC000347264241 335484578 /nfs/dbraw/zinc/48/45/78/335484578.db2.gz RSWDEICKHOTVNB-HNNXBMFYSA-N -1 0 305.418 3.504 20 0 DHADRM [O-]c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1Cl ZINC000191176789 335630385 /nfs/dbraw/zinc/63/03/85/335630385.db2.gz BNHOIALEKGOVBW-UHFFFAOYSA-N -1 0 320.707 3.814 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000349111732 335631547 /nfs/dbraw/zinc/63/15/47/335631547.db2.gz UJGSBTBBXZJSFZ-CABZTGNLSA-N -1 0 315.335 3.850 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1 ZINC000349494298 335676216 /nfs/dbraw/zinc/67/62/16/335676216.db2.gz QUMBVRQLFVIVFP-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM COc1cccc(Cl)c1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000349727512 335694689 /nfs/dbraw/zinc/69/46/89/335694689.db2.gz SHCFYPCFNUYAAG-UHFFFAOYSA-N -1 0 319.744 3.509 20 0 DHADRM O=S(=O)([N-]c1ccccc1-c1cccs1)c1ccoc1 ZINC000349947886 335712251 /nfs/dbraw/zinc/71/22/51/335712251.db2.gz NUXKFEGBJPZIDN-UHFFFAOYSA-N -1 0 305.380 3.809 20 0 DHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000191468055 335749027 /nfs/dbraw/zinc/74/90/27/335749027.db2.gz FLEFCGZWZMWDMQ-QGZVFWFLSA-N -1 0 323.323 3.535 20 0 DHADRM Cc1nc2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccc2o1 ZINC000351227243 336023381 /nfs/dbraw/zinc/02/33/81/336023381.db2.gz NMIZJDJZSFQRLK-UHFFFAOYSA-N -1 0 320.707 3.887 20 0 DHADRM O=S(=O)([N-]c1scnc1-c1ccccc1)c1ccsc1 ZINC000351397465 336032117 /nfs/dbraw/zinc/03/21/17/336032117.db2.gz MGNGVDGIZZNHRC-UHFFFAOYSA-N -1 0 322.436 3.672 20 0 DHADRM CCc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1C ZINC000351593984 336048112 /nfs/dbraw/zinc/04/81/12/336048112.db2.gz KSRQPMZHEDBJRL-UHFFFAOYSA-N -1 0 306.365 3.651 20 0 DHADRM CC(C)(C)C(C)(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000324227204 336113403 /nfs/dbraw/zinc/11/34/03/336113403.db2.gz XCKXVQDIGZRBQM-IBGZPJMESA-N -1 0 319.445 3.608 20 0 DHADRM Cc1sc(/C=C\c2coc(-c3ccccc3)n2)nc1C(=O)[O-] ZINC000352034568 336190643 /nfs/dbraw/zinc/19/06/43/336190643.db2.gz DQWAFTKUQDOGMQ-FPLPWBNLSA-N -1 0 312.350 3.975 20 0 DHADRM CSc1nc(=NC(=O)c2ccc(C3=CCCC3)cc2)s[n-]1 ZINC000352167324 336198537 /nfs/dbraw/zinc/19/85/37/336198537.db2.gz LJBZYAYXPDPIQP-UHFFFAOYSA-N -1 0 317.439 3.502 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000352236608 336205549 /nfs/dbraw/zinc/20/55/49/336205549.db2.gz FNPXLPAOSNKEQO-INIZCTEOSA-N -1 0 317.429 3.843 20 0 DHADRM CC1(C)CN(C(=O)CC2(C(=O)[O-])CCC2)c2cccc(Cl)c21 ZINC000352244577 336206322 /nfs/dbraw/zinc/20/63/22/336206322.db2.gz UNQOSPUIWQBJEV-UHFFFAOYSA-N -1 0 321.804 3.609 20 0 DHADRM CCC(CC)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccs1 ZINC000352417164 336217085 /nfs/dbraw/zinc/21/70/85/336217085.db2.gz XWAODXSYJWBFEI-CQSZACIVSA-N -1 0 321.398 3.947 20 0 DHADRM O=C([O-])c1cccc(NCc2csc(Br)c2)c1 ZINC000037412307 336238574 /nfs/dbraw/zinc/23/85/74/336238574.db2.gz NQUSDPHEUPTAHD-UHFFFAOYSA-N -1 0 312.188 3.821 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000532612008 336257659 /nfs/dbraw/zinc/25/76/59/336257659.db2.gz 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CC(C)[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000262977220 337622752 /nfs/dbraw/zinc/62/27/52/337622752.db2.gz PCDZUVAKTTZKAT-HOCLYGCPSA-N -1 0 323.820 3.545 20 0 DHADRM CCC1(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CCCC1 ZINC000263166330 337625015 /nfs/dbraw/zinc/62/50/15/337625015.db2.gz PLJRMTPHNBEEKK-MRXNPFEDSA-N -1 0 317.429 3.549 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000263207781 337625441 /nfs/dbraw/zinc/62/54/41/337625441.db2.gz WCGJSCZHAJALID-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263218652 337625525 /nfs/dbraw/zinc/62/55/25/337625525.db2.gz YGWMIMQNWHJFPI-HZPDHXFCSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000263238684 337625732 /nfs/dbraw/zinc/62/57/32/337625732.db2.gz FROOOZNBOSDAOZ-RTRPANQVSA-N -1 0 315.413 3.679 20 0 DHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000263274109 337625969 /nfs/dbraw/zinc/62/59/69/337625969.db2.gz 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337629036 /nfs/dbraw/zinc/62/90/36/337629036.db2.gz DDTTYMFZNYREQQ-UHFFFAOYSA-N -1 0 310.397 3.987 20 0 DHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)Cc1ccsc1 ZINC000263436689 337629169 /nfs/dbraw/zinc/62/91/69/337629169.db2.gz VOTDXLDWOOKJQT-OAHLLOKOSA-N -1 0 323.458 3.611 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263498988 337630595 /nfs/dbraw/zinc/63/05/95/337630595.db2.gz UUQFKGVZSMSJGU-GPANFISMSA-N -1 0 324.465 3.630 20 0 DHADRM CCCCCc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263510347 337630827 /nfs/dbraw/zinc/63/08/27/337630827.db2.gz XJUUTXJCBQYOJR-SFHVURJKSA-N -1 0 318.417 3.748 20 0 DHADRM CCC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCC1 ZINC000263530375 337631299 /nfs/dbraw/zinc/63/12/99/337631299.db2.gz MCZJZCBCYJMYGJ-MRXNPFEDSA-N -1 0 315.413 3.558 20 0 DHADRM COc1ccc(C[C@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000263535168 337631353 /nfs/dbraw/zinc/63/13/53/337631353.db2.gz YTXYVKRPZMOSDE-AWEZNQCLSA-N -1 0 313.397 3.756 20 0 DHADRM 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CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(C)s2)c1 ZINC000436651988 338281765 /nfs/dbraw/zinc/28/17/65/338281765.db2.gz JPSUGYWELSKDDH-UHFFFAOYSA-N -1 0 303.383 3.916 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2cc(Cl)cs2)c1 ZINC000436677199 338282520 /nfs/dbraw/zinc/28/25/20/338282520.db2.gz BVGNPBCRMVTEGJ-UHFFFAOYSA-N -1 0 323.801 3.881 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2cc3ccccc3o2)c1 ZINC000436681570 338282573 /nfs/dbraw/zinc/28/25/73/338282573.db2.gz RTJZFZYECPPYQV-UHFFFAOYSA-N -1 0 323.348 3.912 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000436681986 338282665 /nfs/dbraw/zinc/28/26/65/338282665.db2.gz TYVUBPHUNKCOHB-UHFFFAOYSA-N -1 0 322.320 3.502 20 0 DHADRM COc1c(Cl)cccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436709955 338283685 /nfs/dbraw/zinc/28/36/85/338283685.db2.gz PXSUNZMGRRAFSG-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM O=C(Nc1nc(C2CC2)c[nH]1)c1c([O-])cc(Cl)cc1Cl ZINC000436710769 338283769 /nfs/dbraw/zinc/28/37/69/338283769.db2.gz YNOOPGYINBWFBA-UHFFFAOYSA-N -1 0 312.156 3.552 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC12CCC2 ZINC000436715156 338283789 /nfs/dbraw/zinc/28/37/89/338283789.db2.gz IDCIDADBTZBSST-SNVBAGLBSA-N -1 0 311.784 3.837 20 0 DHADRM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c(O)cccc1F ZINC000436727559 338284546 /nfs/dbraw/zinc/28/45/46/338284546.db2.gz ZVDFOHCSCVWSGC-NXEZZACHSA-N -1 0 319.298 3.630 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1[O-] ZINC000436747663 338285117 /nfs/dbraw/zinc/28/51/17/338285117.db2.gz MJEYIAVYDZJHAC-UHFFFAOYSA-N -1 0 307.752 3.847 20 0 DHADRM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000436756463 338285773 /nfs/dbraw/zinc/28/57/73/338285773.db2.gz QKNBQZDIUXABMG-CYBMUJFWSA-N -1 0 321.348 3.637 20 0 DHADRM CSc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436781191 338287198 /nfs/dbraw/zinc/28/71/98/338287198.db2.gz IZMZQJMXIJHNLB-SECBINFHSA-N -1 0 323.364 3.883 20 0 DHADRM CS[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000436828393 338288785 /nfs/dbraw/zinc/28/87/85/338288785.db2.gz 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20 0 DHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463792596 339126038 /nfs/dbraw/zinc/12/60/38/339126038.db2.gz YXJQKYXEQAVHIT-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM COc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1OC(F)F ZINC000470262271 339315480 /nfs/dbraw/zinc/31/54/80/339315480.db2.gz CNHKHOHTXZOLNT-DUXPYHPUSA-N -1 0 321.279 3.560 20 0 DHADRM COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)cc(Cl)c1OC ZINC000470265368 339315585 /nfs/dbraw/zinc/31/55/85/339315585.db2.gz FIKBNCGXQPAYNX-ONEGZZNKSA-N -1 0 319.744 3.621 20 0 DHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000470459559 339320279 /nfs/dbraw/zinc/32/02/79/339320279.db2.gz QUDPSDMWKHYSHP-UHFFFAOYSA-N -1 0 323.389 3.724 20 0 DHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c21 ZINC000471581428 339348060 /nfs/dbraw/zinc/34/80/60/339348060.db2.gz OPTFKUJWMZYNBP-UHFFFAOYSA-N -1 0 320.801 3.633 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)c1cccc(F)c1 ZINC000471977913 339358666 /nfs/dbraw/zinc/35/86/66/339358666.db2.gz 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Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000498576658 339822511 /nfs/dbraw/zinc/82/25/11/339822511.db2.gz TWEHZICGQNZGFM-LBPRGKRZSA-N -1 0 317.410 3.896 20 0 DHADRM Cc1ncc(C=CC(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000492182114 339893654 /nfs/dbraw/zinc/89/36/54/339893654.db2.gz NRIPPDSWUSUGGO-HYXAFXHYSA-N -1 0 317.395 3.533 20 0 DHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000500614134 340063611 /nfs/dbraw/zinc/06/36/11/340063611.db2.gz CNJOMFCNMGBKEM-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000500618835 340063813 /nfs/dbraw/zinc/06/38/13/340063813.db2.gz QRNXQJXXZWOQSC-LSDHHAIUSA-N -1 0 315.756 3.780 20 0 DHADRM COc1cccc([C@H](C)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000504036073 340139882 /nfs/dbraw/zinc/13/98/82/340139882.db2.gz QWRASOXWONTHCS-LBPRGKRZSA-N -1 0 311.410 3.809 20 0 DHADRM C[C@H](Oc1ccc(/C=C\c2nc3ccccc3o2)cc1)C(=O)[O-] ZINC000504733480 340151811 /nfs/dbraw/zinc/15/18/11/340151811.db2.gz 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597130081 /nfs/dbraw/zinc/13/00/81/597130081.db2.gz HFYSWDWDKDWEQY-UHFFFAOYSA-N -1 0 307.296 3.527 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817871973 597263445 /nfs/dbraw/zinc/26/34/45/597263445.db2.gz ANXNMXVTXNBXCA-HNNXBMFYSA-N -1 0 318.417 3.746 20 0 DHADRM CCSc1nnc(SCc2ccc(C(=O)[O-])cc2)s1 ZINC000818261393 597297439 /nfs/dbraw/zinc/29/74/39/597297439.db2.gz JTERFNNATSEALV-UHFFFAOYSA-N -1 0 312.441 3.641 20 0 DHADRM O=C([O-])CCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000819442998 597306976 /nfs/dbraw/zinc/30/69/76/597306976.db2.gz FMMIDBWBHPSBGF-UHFFFAOYSA-N -1 0 312.325 3.572 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccccc3CC(=O)[O-])CCC2)c1 ZINC000324478564 597316523 /nfs/dbraw/zinc/31/65/23/597316523.db2.gz GOPBQWSOAZYROM-UHFFFAOYSA-N -1 0 323.392 3.683 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000324323313 597317744 /nfs/dbraw/zinc/31/77/44/597317744.db2.gz IJNSCIMOSQLUFP-UHFFFAOYSA-N -1 0 323.392 3.764 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818132329 597325756 /nfs/dbraw/zinc/32/57/56/597325756.db2.gz SUZWSPMZBSRURY-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000320203130 597336225 /nfs/dbraw/zinc/33/62/25/597336225.db2.gz WMKCMWTWTFTGRX-ZDUSSCGKSA-N -1 0 312.369 3.505 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000383711357 597336233 /nfs/dbraw/zinc/33/62/33/597336233.db2.gz CCCMFXFSMOAKCZ-UHFFFAOYSA-N -1 0 324.380 3.510 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000323592728 597451689 /nfs/dbraw/zinc/45/16/89/597451689.db2.gz XOTRZWGFFOKBFK-UHFFFAOYSA-N -1 0 316.401 3.524 20 0 DHADRM O=C([O-])c1cccc(CNc2cccc(Oc3cnccn3)c2)c1 ZINC000821552813 598203062 /nfs/dbraw/zinc/20/30/62/598203062.db2.gz VRNGLBLHRAYPDN-UHFFFAOYSA-N -1 0 321.336 3.579 20 0 DHADRM CCCc1c(C(=O)N(C)c2ccc(C)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737040458 599703456 /nfs/dbraw/zinc/70/34/56/599703456.db2.gz 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CC1(C)CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000070269613 600546855 /nfs/dbraw/zinc/54/68/55/600546855.db2.gz OSEIHEZTIRJUGB-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432286 600553404 /nfs/dbraw/zinc/55/34/04/600553404.db2.gz HTIFKNUTLNRCRF-QMMMGPOBSA-N -1 0 303.280 3.634 20 0 DHADRM CCC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432247 600553440 /nfs/dbraw/zinc/55/34/40/600553440.db2.gz OWFYRYAZGVCDLE-QMMMGPOBSA-N -1 0 303.280 3.778 20 0 DHADRM CC(C)[C@@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019156 600578040 /nfs/dbraw/zinc/57/80/40/600578040.db2.gz URULNDSXCPCYAD-SNVBAGLBSA-N -1 0 305.399 3.508 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=S)Nc2ccccc2F)c1 ZINC000740072923 600583363 /nfs/dbraw/zinc/58/33/63/600583363.db2.gz WGEIKQSMCWXKIU-UHFFFAOYSA-N -1 0 324.764 3.986 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000740043248 600585132 /nfs/dbraw/zinc/58/51/32/600585132.db2.gz RQYOCYRIWYEWIT-UHFFFAOYSA-N -1 0 314.316 3.586 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000738230184 600587212 /nfs/dbraw/zinc/58/72/12/600587212.db2.gz PWCPGFISGWYPJC-NXEZZACHSA-N -1 0 315.822 3.572 20 0 DHADRM CCCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737044956 600591488 /nfs/dbraw/zinc/59/14/88/600591488.db2.gz MRYZLRYKJPNJDK-KRWDZBQOSA-N -1 0 311.381 3.537 20 0 DHADRM Cc1cc(-c2noc([C@@H](C)SC[C@@H](C)C(=O)[O-])n2)ccc1F ZINC000738314901 600595675 /nfs/dbraw/zinc/59/56/75/600595675.db2.gz VRNWCBHPFPYKOY-NXEZZACHSA-N -1 0 324.377 3.699 20 0 DHADRM C[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)CC(C)(C)C ZINC000736544658 600596128 /nfs/dbraw/zinc/59/61/28/600596128.db2.gz HTUQNCSJMYRFAQ-XJKSGUPXSA-N -1 0 305.418 3.733 20 0 DHADRM C[C@@H](CSCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736612762 600597489 /nfs/dbraw/zinc/59/74/89/600597489.db2.gz DRDYKDHIWYLKOG-VIFPVBQESA-N -1 0 311.790 3.949 20 0 DHADRM Cc1cccc(-c2nnc([C@@H](C)SC[C@@H](C)C(=O)[O-])o2)c1 ZINC000738681363 600597995 /nfs/dbraw/zinc/59/79/95/600597995.db2.gz UWUGRHIIHBRMAH-GHMZBOCLSA-N -1 0 306.387 3.560 20 0 DHADRM Cc1ccc(-c2noc([C@H](C)SC[C@@H](C)C(=O)[O-])n2)cc1F ZINC000738494506 600602327 /nfs/dbraw/zinc/60/23/27/600602327.db2.gz MYIZRHZTAMDARQ-ZJUUUORDSA-N -1 0 324.377 3.699 20 0 DHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000736545987 600604159 /nfs/dbraw/zinc/60/41/59/600604159.db2.gz UZVCDDAODPHGBJ-AWEZNQCLSA-N -1 0 303.402 3.711 20 0 DHADRM O=C([O-])CN(C(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000336876044 600604983 /nfs/dbraw/zinc/60/49/83/600604983.db2.gz PHDGQBMXZBVHSE-UHFFFAOYSA-N -1 0 319.360 3.500 20 0 DHADRM O=C([O-])CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000037584459 600606419 /nfs/dbraw/zinc/60/64/19/600606419.db2.gz ZOAQTKWSSHJUJT-UHFFFAOYSA-N -1 0 324.163 3.725 20 0 DHADRM C[C@@H](Oc1ccccc1NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000561705554 600610194 /nfs/dbraw/zinc/61/01/94/600610194.db2.gz IDNLBOYMLGKYEK-CYBMUJFWSA-N -1 0 313.353 3.630 20 0 DHADRM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736776719 600610593 /nfs/dbraw/zinc/61/05/93/600610593.db2.gz XIUPOAYXHXOABO-CHWSQXEVSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1c2ccccc2oc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000738289398 600620471 /nfs/dbraw/zinc/62/04/71/600620471.db2.gz PTYTYAWPDGRTGD-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000736760849 600625322 /nfs/dbraw/zinc/62/53/22/600625322.db2.gz NMBUJSXQEPDOEV-MWLCHTKSSA-N -1 0 322.817 3.877 20 0 DHADRM C[C@H]1CC(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)C1 ZINC000736749185 600625397 /nfs/dbraw/zinc/62/53/97/600625397.db2.gz IILJJXPFGDZPTJ-NXEZZACHSA-N -1 0 323.368 3.862 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736940218 600625445 /nfs/dbraw/zinc/62/54/45/600625445.db2.gz FHRKPHDDPCMYRG-AWEZNQCLSA-N -1 0 319.405 3.987 20 0 DHADRM C[C@H]1CC(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@H](C)C1 ZINC000736748888 600625573 /nfs/dbraw/zinc/62/55/73/600625573.db2.gz FPAVZFXGJKUWHF-VXGBXAGGSA-N -1 0 319.405 3.747 20 0 DHADRM CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccccc1C(=O)[O-] ZINC000737050778 600646748 /nfs/dbraw/zinc/64/67/48/600646748.db2.gz NJZRLRAFFWYDCT-GOEBONIOSA-N -1 0 315.413 3.976 20 0 DHADRM CCN(C(=O)Cc1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737060230 600647101 /nfs/dbraw/zinc/64/71/01/600647101.db2.gz ORGWFXZVRGBOTL-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM O=C([O-])c1ccc(NCc2csc(Br)c2)cc1 ZINC000037507087 600674840 /nfs/dbraw/zinc/67/48/40/600674840.db2.gz BEKCZKYKEFZXMZ-UHFFFAOYSA-N -1 0 312.188 3.821 20 0 DHADRM Cc1c(NCc2ccccc2OC(F)F)cccc1C(=O)[O-] ZINC000315739156 600675739 /nfs/dbraw/zinc/67/57/39/600675739.db2.gz NNGHRPLDYJKEML-UHFFFAOYSA-N -1 0 307.296 3.907 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)/C=C/c1ccccc1Cl ZINC000739892344 600677026 /nfs/dbraw/zinc/67/70/26/600677026.db2.gz OTBPBOAATBZYRL-MDZDMXLPSA-N -1 0 316.740 3.586 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1coc2ccccc12)c1ccccc1F ZINC000833352577 600677218 /nfs/dbraw/zinc/67/72/18/600677218.db2.gz XSGQENLPAXJMIA-OAHLLOKOSA-N -1 0 314.268 3.555 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCCOc2ccccc2F)cc1 ZINC000736232903 600679455 /nfs/dbraw/zinc/67/94/55/600679455.db2.gz RQGIFCLSRDAOEC-UHFFFAOYSA-N -1 0 317.360 3.679 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@H]2CC2(Cl)Cl)cc1 ZINC000736232055 600679470 /nfs/dbraw/zinc/67/94/70/600679470.db2.gz BGLOHEPICGAZLL-SNVBAGLBSA-N -1 0 302.201 3.655 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCCOc2cccc(F)c2)cc1 ZINC000736232806 600680467 /nfs/dbraw/zinc/68/04/67/600680467.db2.gz OPZGPODDNMBKFA-UHFFFAOYSA-N -1 0 317.360 3.679 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)CCc1cccc(Cl)c1 ZINC000739893281 600686493 /nfs/dbraw/zinc/68/64/93/600686493.db2.gz XYANAXKUPWHAKE-UHFFFAOYSA-N -1 0 318.756 3.505 20 0 DHADRM C[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccc(F)c1 ZINC000827940030 600692575 /nfs/dbraw/zinc/69/25/75/600692575.db2.gz CDSXQEUIFJUYJQ-SNVBAGLBSA-N -1 0 312.300 3.726 20 0 DHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827817371 600696934 /nfs/dbraw/zinc/69/69/34/600696934.db2.gz MJHFOMQMQGDLGO-CYZMBNFOSA-N -1 0 306.358 3.798 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000833025772 600697409 /nfs/dbraw/zinc/69/74/09/600697409.db2.gz QKMBKSIZCRIDOD-KGLIPLIRSA-N -1 0 306.358 3.546 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@@H]3CCc4ccccc43)n2)c1 ZINC000833327885 600698456 /nfs/dbraw/zinc/69/84/56/600698456.db2.gz KEYVROFFTXRAGY-OAHLLOKOSA-N -1 0 306.321 3.513 20 0 DHADRM Cc1ccc(CCCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832931350 600699233 /nfs/dbraw/zinc/69/92/33/600699233.db2.gz XLCQLXAWMGGPQF-UHFFFAOYSA-N -1 0 322.364 3.919 20 0 DHADRM C/C(=C\CSc1nnc(CCC2CCCCC2)o1)C(=O)[O-] ZINC000825793722 600728432 /nfs/dbraw/zinc/72/84/32/600728432.db2.gz YPYYQRVBTKGKQL-PKNBQFBNSA-N -1 0 310.419 3.706 20 0 DHADRM CC(C)C[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC000736401826 600738910 /nfs/dbraw/zinc/73/89/10/600738910.db2.gz MIEHLOAQTNWPLR-OAHLLOKOSA-N -1 0 316.353 3.851 20 0 DHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000736312343 600780005 /nfs/dbraw/zinc/78/00/05/600780005.db2.gz KTLLFBXLDWQMQN-UHFFFAOYSA-N -1 0 321.373 3.537 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000832917696 600813777 /nfs/dbraw/zinc/81/37/77/600813777.db2.gz YIDLCKQACIBEEC-CXAGYDPISA-N -1 0 324.380 3.918 20 0 DHADRM O=C([O-])c1sc(N[C@H]2C[C@@H]2C2CCCCC2)nc1Cl ZINC000833346105 600819528 /nfs/dbraw/zinc/81/95/28/600819528.db2.gz IUKVJTSIJFHUJV-BDAKNGLRSA-N -1 0 300.811 3.875 20 0 DHADRM Cc1cccc(F)c1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000832969031 600822228 /nfs/dbraw/zinc/82/22/28/600822228.db2.gz GFAAUNZMEZMJPG-UHFFFAOYSA-N -1 0 300.742 3.554 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000383095821 600823104 /nfs/dbraw/zinc/82/31/04/600823104.db2.gz AGMHVRKQBCJXQM-NXEZZACHSA-N -1 0 307.415 3.700 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)ccc1F ZINC000740081927 600829670 /nfs/dbraw/zinc/82/96/70/600829670.db2.gz RFEBRVUTDREBAV-OLZOCXBDSA-N -1 0 305.349 3.679 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1F ZINC000740081930 600829848 /nfs/dbraw/zinc/82/98/48/600829848.db2.gz RFEBRVUTDREBAV-QWHCGFSZSA-N -1 0 305.349 3.679 20 0 DHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cccc1C(=O)[O-] ZINC000675966608 600830449 /nfs/dbraw/zinc/83/04/49/600830449.db2.gz SEQDXBWPTOFOJT-HUUCEWRRSA-N -1 0 301.386 3.848 20 0 DHADRM CCC[C@@](C)(NC(=O)/C=C(\CC)c1ccc(C)cc1)C(=O)[O-] ZINC000736954599 600831462 /nfs/dbraw/zinc/83/14/62/600831462.db2.gz OXHOUMYZCWZAGD-QIXNEVBVSA-N -1 0 303.402 3.548 20 0 DHADRM CC/C(=C\C(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000736837427 600832006 /nfs/dbraw/zinc/83/20/06/600832006.db2.gz WLYNNIWHPKTRHX-JLHYYAGUSA-N -1 0 314.337 3.823 20 0 DHADRM Cc1ccc2[nH]c(S[C@@H](C(=O)[O-])c3ccccc3F)nc2c1 ZINC000832958807 600832655 /nfs/dbraw/zinc/83/26/55/600832655.db2.gz KLCWBGBLRUAERF-CQSZACIVSA-N -1 0 316.357 3.928 20 0 DHADRM O=C([O-])c1ccc(OCCSc2ccccn2)c(Cl)c1 ZINC000833321990 600833225 /nfs/dbraw/zinc/83/32/25/600833225.db2.gz CAHXZBRFANKDRR-UHFFFAOYSA-N -1 0 309.774 3.604 20 0 DHADRM O=C([O-])[C@H](Sc1nncs1)c1ccc(Cl)cc1Cl ZINC000833170858 600834537 /nfs/dbraw/zinc/83/45/37/600834537.db2.gz UJGNOYCQQLUEKN-MRVPVSSYSA-N -1 0 321.210 3.763 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000389581197 600835227 /nfs/dbraw/zinc/83/52/27/600835227.db2.gz FBVDABJBZPPISX-HZPDHXFCSA-N -1 0 311.466 3.798 20 0 DHADRM CCCC[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000829296685 600836300 /nfs/dbraw/zinc/83/63/00/600836300.db2.gz XCOPHQRXGPHOOO-OCHBPSSRSA-N -1 0 317.414 3.711 20 0 DHADRM CC/C(=C/C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)c1ccc(C)cc1 ZINC000236891677 600836983 /nfs/dbraw/zinc/83/69/83/600836983.db2.gz KYIBNQBNSKEAER-ADVGAGMGSA-N -1 0 315.413 3.500 20 0 DHADRM CCc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737260716 600838503 /nfs/dbraw/zinc/83/85/03/600838503.db2.gz 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600843138 /nfs/dbraw/zinc/84/31/38/600843138.db2.gz IJFHVFPFIRDVCJ-NXEZZACHSA-N -1 0 323.439 3.511 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000399720610 600843976 /nfs/dbraw/zinc/84/39/76/600843976.db2.gz HPNIXWUNVQGRNL-RNCFNFMXSA-N -1 0 310.781 3.691 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000767088425 600851785 /nfs/dbraw/zinc/85/17/85/600851785.db2.gz KZXAMHNBXCJKKO-GFCCVEGCSA-N -1 0 309.406 3.851 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000736711956 600865768 /nfs/dbraw/zinc/86/57/68/600865768.db2.gz IMDGITRRXBKHDO-AGIUHOORSA-N -1 0 321.442 3.512 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630294398 600872188 /nfs/dbraw/zinc/87/21/88/600872188.db2.gz IWIOJLVZPGQBQI-LBTNJELSSA-N -1 0 323.392 3.792 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC000236675119 600883351 /nfs/dbraw/zinc/88/33/51/600883351.db2.gz HRIYTMLYCZTEMK-SEYXRHQNSA-N -1 0 319.401 3.861 20 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309.431 3.883 20 0 DHADRM COC[C@H](C)SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000831651231 600969809 /nfs/dbraw/zinc/96/98/09/600969809.db2.gz TYPIEYHRDKWFBG-JTQLQIEISA-N -1 0 323.439 3.776 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CCC[C@H]1c1ccsc1 ZINC000570403742 600987902 /nfs/dbraw/zinc/98/79/02/600987902.db2.gz SUFCIMMIRGFUJU-GJZGRUSLSA-N -1 0 305.374 3.850 20 0 DHADRM Cc1csc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000832989288 600993670 /nfs/dbraw/zinc/99/36/70/600993670.db2.gz JBBHABBLZBIUFL-UONOGXRCSA-N -1 0 320.389 3.553 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736224052 600995129 /nfs/dbraw/zinc/99/51/29/600995129.db2.gz NWZXTRRXVHYLEW-LLVKDONJSA-N -1 0 318.756 3.676 20 0 DHADRM CCCc1ncc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000737047150 601008535 /nfs/dbraw/zinc/00/85/35/601008535.db2.gz PUEPNUIHMOKAOC-UHFFFAOYSA-N -1 0 323.349 3.577 20 0 DHADRM CC(C)(C)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000736293225 601019886 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O=C([O-])[C@@H](OC(=O)c1ccco1)c1ccc(Cl)cc1Cl ZINC000833349364 601063295 /nfs/dbraw/zinc/06/32/95/601063295.db2.gz CHBLYVSSEFIQSP-NSHDSACASA-N -1 0 315.108 3.569 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000833350011 601064507 /nfs/dbraw/zinc/06/45/07/601064507.db2.gz HPCVDMSLGZMACO-CYBMUJFWSA-N -1 0 324.254 3.688 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316738773 601088208 /nfs/dbraw/zinc/08/82/08/601088208.db2.gz OSRCCDMDLTUDIN-GFCCVEGCSA-N -1 0 306.406 3.701 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000321792685 601094206 /nfs/dbraw/zinc/09/42/06/601094206.db2.gz UVEHAVJIWGEBGL-UHFFFAOYSA-N -1 0 318.417 3.701 20 0 DHADRM C/C(=C/CSc1nccn1-c1cc(C)ccc1C)C(=O)[O-] ZINC000736120839 601097640 /nfs/dbraw/zinc/09/76/40/601097640.db2.gz FCFHYAPBNFIPAT-MLPAPPSSSA-N -1 0 302.399 3.612 20 0 DHADRM C/C(=C/CSc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)[O-] ZINC000736120645 601097851 /nfs/dbraw/zinc/09/78/51/601097851.db2.gz 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ZINC000315212789 601185532 /nfs/dbraw/zinc/18/55/32/601185532.db2.gz DBWWMCYIPCTLKG-UHFFFAOYSA-N -1 0 317.410 3.809 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828161867 601191418 /nfs/dbraw/zinc/19/14/18/601191418.db2.gz PWQGKUHMLMYKLS-DOMZBBRYSA-N -1 0 318.417 3.650 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000827826474 601191921 /nfs/dbraw/zinc/19/19/21/601191921.db2.gz OBMMAZIMHBWKQL-UHTWSYAYSA-N -1 0 310.777 3.835 20 0 DHADRM CCc1ccc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000390382160 601207514 /nfs/dbraw/zinc/20/75/14/601207514.db2.gz VPIKNNJOTKEMRX-UONOGXRCSA-N -1 0 300.358 3.657 20 0 DHADRM C[C@H](CSCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000721940419 601208023 /nfs/dbraw/zinc/20/80/23/601208023.db2.gz HWTCJZPNQQXRBX-SSDOTTSWSA-N -1 0 307.184 3.542 20 0 DHADRM Cc1ccc([C@@H](CNc2ncnc3cccc(C)c32)C(=O)[O-])cc1 ZINC000832924206 601209020 /nfs/dbraw/zinc/20/90/20/601209020.db2.gz ZATVNBNXPVEAGA-OAHLLOKOSA-N -1 0 321.380 3.527 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ZINC000122707672 601629119 /nfs/dbraw/zinc/62/91/19/601629119.db2.gz KQUJQCKLMJUCPP-UHFFFAOYSA-N -1 0 300.383 3.770 20 0 DHADRM CCOc1cc(C#N)ccc1OCc1cc(C(=O)[O-])sc1C ZINC000316358653 601629430 /nfs/dbraw/zinc/62/94/30/601629430.db2.gz SSUNPDDLAPRWET-UHFFFAOYSA-N -1 0 317.366 3.604 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1ccccc1OC(F)F ZINC000833031946 601635503 /nfs/dbraw/zinc/63/55/03/601635503.db2.gz XAJWWIUANRVHHB-UHFFFAOYSA-N -1 0 314.309 3.935 20 0 DHADRM COC(=O)c1cc(COc2cccc(NC(=O)[O-])c2)c(C)s1 ZINC000831248986 601639487 /nfs/dbraw/zinc/63/94/87/601639487.db2.gz SYLCPYVSROTIIR-UHFFFAOYSA-N -1 0 321.354 3.512 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000236658623 601642383 /nfs/dbraw/zinc/64/23/83/601642383.db2.gz IKYXVFYSSVKHCT-KFWWJZLASA-N -1 0 323.820 3.593 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000776663850 601642815 /nfs/dbraw/zinc/64/28/15/601642815.db2.gz IVNOKSQOZRCGEG-RISCZKNCSA-N -1 0 311.809 3.593 20 0 DHADRM Cc1cc(NC(=O)CCO[C@@H](C)CC(C)C)sc1C(=O)[O-] ZINC000832892464 601654022 /nfs/dbraw/zinc/65/40/22/601654022.db2.gz AJQSWMVHWXVJPB-NSHDSACASA-N -1 0 313.419 3.535 20 0 DHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC000832998927 601655052 /nfs/dbraw/zinc/65/50/52/601655052.db2.gz QWBGXLRMXUFWFF-UHFFFAOYSA-N -1 0 324.427 3.662 20 0 DHADRM CC(C)CC1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCCC1 ZINC000321174010 601660844 /nfs/dbraw/zinc/66/08/44/601660844.db2.gz POHBGRGWRUSJHL-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000830514277 601666084 /nfs/dbraw/zinc/66/60/84/601666084.db2.gz QBXUUOKMRGPIIG-UHFFFAOYSA-N -1 0 322.723 3.846 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833285941 601668147 /nfs/dbraw/zinc/66/81/47/601668147.db2.gz MASOTLZLESWRGU-CZUORRHYSA-N -1 0 310.353 3.594 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826763495 601668525 /nfs/dbraw/zinc/66/85/25/601668525.db2.gz 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O=C([O-])Nc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000740709357 602500443 /nfs/dbraw/zinc/50/04/43/602500443.db2.gz ZDWHVBBMLJWJJG-UHFFFAOYSA-N -1 0 304.371 3.799 20 0 DHADRM CC(=CC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738505835 602503976 /nfs/dbraw/zinc/50/39/76/602503976.db2.gz UMRXDZSQSRVJOW-ZHACJKMWSA-N -1 0 314.316 3.958 20 0 DHADRM CC(=CC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738505834 602504068 /nfs/dbraw/zinc/50/40/68/602504068.db2.gz UMRXDZSQSRVJOW-KHPPLWFESA-N -1 0 314.316 3.958 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1C ZINC000740161976 602506271 /nfs/dbraw/zinc/50/62/71/602506271.db2.gz HPZVACWHOJWUOV-UHFFFAOYSA-N -1 0 324.380 3.986 20 0 DHADRM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738825515 602509197 /nfs/dbraw/zinc/50/91/97/602509197.db2.gz WZNJBFJRSCHLPG-LBPRGKRZSA-N -1 0 308.353 3.566 20 0 DHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739060126 602600753 /nfs/dbraw/zinc/60/07/53/602600753.db2.gz MXBJHYFNXMTGCU-JTQLQIEISA-N 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CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736879256 602809745 /nfs/dbraw/zinc/80/97/45/602809745.db2.gz CGQYVUGOGJZTIF-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM CCCn1c(C)cc(-c2csc(CN(C)C(=O)[O-])n2)c1C ZINC000739378765 602810029 /nfs/dbraw/zinc/81/00/29/602810029.db2.gz VZZORNKWCARGPG-UHFFFAOYSA-N -1 0 307.419 3.748 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000830138697 602812514 /nfs/dbraw/zinc/81/25/14/602812514.db2.gz XUTSIAYMLDTELZ-NSHDSACASA-N -1 0 324.446 3.870 20 0 DHADRM COc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000829475004 602824072 /nfs/dbraw/zinc/82/40/72/602824072.db2.gz ZHODRXMSIFZSJK-UHFFFAOYSA-N -1 0 314.341 3.654 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)CC2 ZINC000830447012 602875087 /nfs/dbraw/zinc/87/50/87/602875087.db2.gz YLVPNUBYBOKETQ-MRXNPFEDSA-N -1 0 324.380 3.811 20 0 DHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(CNC(=O)[O-])c2)C1 ZINC000739264882 602922579 /nfs/dbraw/zinc/92/25/79/602922579.db2.gz 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CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CCC1 ZINC000833576098 604875681 /nfs/dbraw/zinc/87/56/81/604875681.db2.gz VGCLKBKOXFGUJJ-UHFFFAOYSA-N -1 0 313.275 3.843 20 0 DHADRM C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679106461 604880839 /nfs/dbraw/zinc/88/08/39/604880839.db2.gz RROYHINUUGEWOM-GOEBONIOSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)(C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1CCCC1 ZINC000683323834 604885353 /nfs/dbraw/zinc/88/53/53/604885353.db2.gz DHNSZVUIEKTFGG-CQSZACIVSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(F)cc(F)c1 ZINC000827853411 604886696 /nfs/dbraw/zinc/88/66/96/604886696.db2.gz KOSZZVCPSRYPIK-MRVPVSSYSA-N -1 0 324.254 3.720 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1F ZINC000318210931 604888252 /nfs/dbraw/zinc/88/82/52/604888252.db2.gz SBSAXGJBDXAGKP-NSHDSACASA-N -1 0 319.357 3.644 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccccc1Cl ZINC000826805941 604890248 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CCc1noc(C)c1CN(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000580904100 604969201 /nfs/dbraw/zinc/96/92/01/604969201.db2.gz BYNBFVCLPXNUSA-KRWDZBQOSA-N -1 0 316.401 3.583 20 0 DHADRM Cc1cccc(C)c1NC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000830487491 604970469 /nfs/dbraw/zinc/97/04/69/604970469.db2.gz BLDOASJIHZIWAZ-AWEZNQCLSA-N -1 0 318.417 3.658 20 0 DHADRM CCCCN(C)c1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000829381385 605000544 /nfs/dbraw/zinc/00/05/44/605000544.db2.gz RNMSNTZQQYOEDQ-QGZVFWFLSA-N -1 0 313.401 3.556 20 0 DHADRM CC(C)c1cc(N2CCCC[C@H]2CC(=O)[O-])nc(C(C)C)n1 ZINC000833509418 605006236 /nfs/dbraw/zinc/00/62/36/605006236.db2.gz MGUZLZWHCPSJTJ-ZDUSSCGKSA-N -1 0 305.422 3.557 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000391947857 605010846 /nfs/dbraw/zinc/01/08/46/605010846.db2.gz AQJLBOHACFQZMI-QGZVFWFLSA-N -1 0 324.380 3.825 20 0 DHADRM Cc1scc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1C ZINC000399837044 605024514 /nfs/dbraw/zinc/02/45/14/605024514.db2.gz QYLSXBBSPGXJPL-UHFFFAOYSA-N -1 0 309.412 3.994 20 0 DHADRM Cc1scc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1C ZINC000399830220 605025531 /nfs/dbraw/zinc/02/55/31/605025531.db2.gz NAYLLMCDYQBIBB-UHFFFAOYSA-N -1 0 309.774 3.969 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000261857379 605044207 /nfs/dbraw/zinc/04/42/07/605044207.db2.gz QUCSCEWHQBXJJF-NJELEJDNSA-N -1 0 315.413 3.537 20 0 DHADRM CC1(C)CCC(=CC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000761375235 605051818 /nfs/dbraw/zinc/05/18/18/605051818.db2.gz FRRYYMUYNUHFCZ-UHFFFAOYSA-N -1 0 301.386 3.528 20 0 DHADRM CCC[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1C(C)=O)C(C)C ZINC000833648848 605055269 /nfs/dbraw/zinc/05/52/69/605055269.db2.gz YJQAJDBMEZQMPA-CYBMUJFWSA-N -1 0 306.358 3.565 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558345 605060488 /nfs/dbraw/zinc/06/04/88/605060488.db2.gz CRBWODJCKWUVLJ-INIZCTEOSA-N -1 0 315.413 3.834 20 0 DHADRM C/C(=C/COC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000833385640 605077997 /nfs/dbraw/zinc/07/79/97/605077997.db2.gz TXVILKGZANCWFG-DAXSKMNVSA-N -1 0 322.666 3.547 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC000762231620 605084591 /nfs/dbraw/zinc/08/45/91/605084591.db2.gz UCYIQHNKDRBRMS-HECSCLNYSA-N -1 0 317.429 3.571 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833561924 605090584 /nfs/dbraw/zinc/09/05/84/605090584.db2.gz ZSRQTYWTJHXENQ-LLVKDONJSA-N -1 0 324.446 3.705 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044830957 605100843 /nfs/dbraw/zinc/10/08/43/605100843.db2.gz IQVJCGLYVRUPLY-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000190626501 605101921 /nfs/dbraw/zinc/10/19/21/605101921.db2.gz NHCMNTCCUFGHPO-CQSZACIVSA-N -1 0 323.820 3.895 20 0 DHADRM C[C@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000190659055 605112660 /nfs/dbraw/zinc/11/26/60/605112660.db2.gz CZBGQWMBMUMALR-HOCLYGCPSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](OC(=O)CCCNC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000833531308 605116726 /nfs/dbraw/zinc/11/67/26/605116726.db2.gz WZJHJAKMKNGREG-QMMMGPOBSA-N -1 0 320.172 3.645 20 0 DHADRM CC(C)C[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833474111 605125117 /nfs/dbraw/zinc/12/51/17/605125117.db2.gz LNPWIZQTGHCHEQ-DZGCQCFKSA-N -1 0 320.433 3.572 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833603988 605130216 /nfs/dbraw/zinc/13/02/16/605130216.db2.gz XUZYZRLWQYJQAB-TYNCELHUSA-N -1 0 302.374 3.570 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CC1 ZINC000042560288 605130261 /nfs/dbraw/zinc/13/02/61/605130261.db2.gz DDAHYWMDVGREMC-UHFFFAOYSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1cc(F)ccc1F ZINC000833643674 605145374 /nfs/dbraw/zinc/14/53/74/605145374.db2.gz DQBWILTWUFJUKD-CQSZACIVSA-N -1 0 309.312 3.805 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000833606108 605147780 /nfs/dbraw/zinc/14/77/80/605147780.db2.gz NOSXJMHPELRGMM-GXTWGEPZSA-N -1 0 321.442 3.769 20 0 DHADRM CC(C)(C)CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833422909 605177387 /nfs/dbraw/zinc/17/73/87/605177387.db2.gz PSVSJIMRFQIQDJ-UHFFFAOYSA-N -1 0 317.341 3.519 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2c2cncc(C(=O)[O-])n2)cc1 ZINC000833510241 605194681 /nfs/dbraw/zinc/19/46/81/605194681.db2.gz PFQLTGJNVFCGEM-INIZCTEOSA-N -1 0 311.385 3.640 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000833662239 605207823 /nfs/dbraw/zinc/20/78/23/605207823.db2.gz ZBRMAKNBSGPNQK-HUUCEWRRSA-N -1 0 304.390 3.926 20 0 DHADRM CC(C)CCCSCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000833480697 605208752 /nfs/dbraw/zinc/20/87/52/605208752.db2.gz MJPZRICIDLROFK-UHFFFAOYSA-N -1 0 324.446 3.562 20 0 DHADRM CCO[C@H]1C[C@H](Nc2ccc(CNC(=O)[O-])cc2)C1(CC)CC ZINC000833659689 605219928 /nfs/dbraw/zinc/21/99/28/605219928.db2.gz FJMMRSMOXLYYRV-HOTGVXAUSA-N -1 0 320.433 3.850 20 0 DHADRM C[C@@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1c(F)cccc1F ZINC000833406271 605228990 /nfs/dbraw/zinc/22/89/90/605228990.db2.gz MILICHSTYQQLOQ-BXKDBHETSA-N -1 0 314.328 3.501 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000833428238 605236620 /nfs/dbraw/zinc/23/66/20/605236620.db2.gz PWNDOWWTWAGGHH-DCAQKATOSA-N -1 0 324.339 3.788 20 0 DHADRM C[C@H](Oc1ccc(CNc2cccc3ccncc32)cc1)C(=O)[O-] ZINC000833539598 605237154 /nfs/dbraw/zinc/23/71/54/605237154.db2.gz MTIKPUSUEJZADQ-ZDUSSCGKSA-N -1 0 322.364 3.699 20 0 DHADRM CC1=C(C(=O)[O-])C[C@H](CSc2ncc(C(C)C)n2C(C)C)O1 ZINC000833581089 605237278 /nfs/dbraw/zinc/23/72/78/605237278.db2.gz KZNHXPVKVPTGKP-GFCCVEGCSA-N -1 0 324.446 3.827 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000833430282 605238425 /nfs/dbraw/zinc/23/84/25/605238425.db2.gz UXRNZLFUKRQDLM-SNVBAGLBSA-N -1 0 302.729 3.525 20 0 DHADRM CN(Cc1cccc(NCc2cccc3cc[nH]c32)c1)C(=O)[O-] ZINC000828383277 605246518 /nfs/dbraw/zinc/24/65/18/605246518.db2.gz WWHFAVHSNCQSAS-UHFFFAOYSA-N -1 0 309.369 3.890 20 0 DHADRM O=C([O-])N1CCC[C@@H](CNc2cccc(-c3nccs3)c2)C1 ZINC000831986119 605249126 /nfs/dbraw/zinc/24/91/26/605249126.db2.gz NVHFYDQWHBCPAP-LBPRGKRZSA-N -1 0 317.414 3.612 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])nc3)CCCC2)c1 ZINC000833752819 605249374 /nfs/dbraw/zinc/24/93/74/605249374.db2.gz ZGEWSWNIOUGEDM-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826940 605254456 /nfs/dbraw/zinc/25/44/56/605254456.db2.gz XBVFBQYFEQXYDC-NSHDSACASA-N -1 0 311.809 3.750 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1c(Cl)cccc1Cl ZINC000521778960 605257492 /nfs/dbraw/zinc/25/74/92/605257492.db2.gz IBABXQZEMHPTGL-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000683302347 605258399 /nfs/dbraw/zinc/25/83/99/605258399.db2.gz QFESNGJMHRDOLR-INIZCTEOSA-N -1 0 317.429 3.501 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000630141419 605273502 /nfs/dbraw/zinc/27/35/02/605273502.db2.gz GDCQQSXESQSSQG-UHFFFAOYSA-N -1 0 324.380 3.574 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833613038 605280881 /nfs/dbraw/zinc/28/08/81/605280881.db2.gz WRPOGRSHSVLHBG-QWRGUYRKSA-N -1 0 323.368 3.958 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)C1CC1 ZINC000833485676 605281500 /nfs/dbraw/zinc/28/15/00/605281500.db2.gz ZXELNBXJWIYFRW-UHFFFAOYSA-N -1 0 309.341 3.568 20 0 DHADRM CC1CCC(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CC1 ZINC000833601771 605281978 /nfs/dbraw/zinc/28/19/78/605281978.db2.gz FRGZHUVPDYDNHZ-UHFFFAOYSA-N -1 0 323.368 3.863 20 0 DHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833549364 605282625 /nfs/dbraw/zinc/28/26/25/605282625.db2.gz LRXZLMKYSAMWOG-SECBINFHSA-N -1 0 321.308 3.734 20 0 DHADRM C/C(=C\C(=O)OCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833385809 605284750 /nfs/dbraw/zinc/28/47/50/605284750.db2.gz XPISMDIBUYNCMV-CSKARUKUSA-N -1 0 316.275 3.517 20 0 DHADRM CC(C)C[C@@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000833480587 605293464 /nfs/dbraw/zinc/29/34/64/605293464.db2.gz PUCMAUWAMUHOHX-HTAVTVPLSA-N -1 0 324.339 3.788 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000833600035 605303270 /nfs/dbraw/zinc/30/32/70/605303270.db2.gz AYSPQKCGERNBFA-JLZZUVOBSA-N -1 0 311.381 3.518 20 0 DHADRM Cc1ccc(C(=O)OCc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000833748167 605304188 /nfs/dbraw/zinc/30/41/88/605304188.db2.gz VQMFFMFSGPWMRH-UHFFFAOYSA-N -1 0 303.289 3.581 20 0 DHADRM CC(C)c1nc(C(=O)OCc2ccc(NC(=O)[O-])cc2)cs1 ZINC000833512825 605305106 /nfs/dbraw/zinc/30/51/06/605305106.db2.gz VMKGZDORXZMMPG-UHFFFAOYSA-N -1 0 320.370 3.713 20 0 DHADRM O=C([O-])c1ccc(OC(=O)c2cccnc2C2CC2)c(Cl)c1 ZINC000833781497 605325080 /nfs/dbraw/zinc/32/50/80/605325080.db2.gz DAHQALVSENNPKT-UHFFFAOYSA-N -1 0 317.728 3.530 20 0 DHADRM CC(C)C(=O)Nc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000833467504 605352545 /nfs/dbraw/zinc/35/25/45/605352545.db2.gz WTLMZWABPKDVBI-UHFFFAOYSA-N -1 0 313.353 3.558 20 0 DHADRM CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)O1 ZINC000833585755 605353588 /nfs/dbraw/zinc/35/35/88/605353588.db2.gz UWZHWYIHIUVKKB-WBVHZDCISA-N -1 0 319.376 3.500 20 0 DHADRM C[C@@H]1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000833610689 605370288 /nfs/dbraw/zinc/37/02/88/605370288.db2.gz XUHQXGOIJUDJRF-CSMYWGQOSA-N -1 0 311.381 3.518 20 0 DHADRM Cc1cc(C(=O)O[C@@H](C2CC2)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829971468 605424489 /nfs/dbraw/zinc/42/44/89/605424489.db2.gz MXIUVCWFDVVLTM-NSHDSACASA-N -1 0 317.263 3.583 20 0 DHADRM Cc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833748099 605462238 /nfs/dbraw/zinc/46/22/38/605462238.db2.gz DDVGWPKBLLHMDQ-STQMWFEESA-N -1 0 316.353 3.769 20 0 DHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccnc2cc(Cl)ccc21 ZINC000825846183 605491188 /nfs/dbraw/zinc/49/11/88/605491188.db2.gz SVMIJSPAQSFSDB-ZYHUDNBSSA-N -1 0 319.792 3.513 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000833532473 605526809 /nfs/dbraw/zinc/52/68/09/605526809.db2.gz RFUCXFWFXPJLSO-SNVBAGLBSA-N -1 0 304.729 3.956 20 0 DHADRM COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829321093 605570345 /nfs/dbraw/zinc/57/03/45/605570345.db2.gz GTIWLDFEMCDSHX-UHFFFAOYSA-N -1 0 314.341 3.654 20 0 DHADRM Cc1cccc(CN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000830497135 605597515 /nfs/dbraw/zinc/59/75/15/605597515.db2.gz BKYJBYCUXIINOE-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)C1 ZINC000833594575 605603504 /nfs/dbraw/zinc/60/35/04/605603504.db2.gz OLDVAMZEQOAPDM-URLYPYJESA-N -1 0 308.353 3.926 20 0 DHADRM Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1C ZINC000829914792 605629984 /nfs/dbraw/zinc/62/99/84/605629984.db2.gz XUVFHQDMBBPQCO-UHFFFAOYSA-N -1 0 312.369 3.978 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000834275402 605648386 /nfs/dbraw/zinc/64/83/86/605648386.db2.gz GBXRSIZPFHKDCN-UHFFFAOYSA-N -1 0 313.288 3.649 20 0 DHADRM CCc1cccc(C)c1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000827596710 605655397 /nfs/dbraw/zinc/65/53/97/605655397.db2.gz YAZGGTKKUDGUDP-UHFFFAOYSA-N -1 0 312.369 3.681 20 0 DHADRM Cc1nc(C)c(COC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830727704 605669786 /nfs/dbraw/zinc/66/97/86/605669786.db2.gz MRBATDYLFSYSCX-UHFFFAOYSA-N -1 0 320.370 3.515 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000833454787 605677447 /nfs/dbraw/zinc/67/74/47/605677447.db2.gz QEUHDVLPXWAULK-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1NC(=O)[O-] ZINC000829962207 605678953 /nfs/dbraw/zinc/67/89/53/605678953.db2.gz WWMZHHFKCYZGFP-UHFFFAOYSA-N -1 0 324.258 3.755 20 0 DHADRM CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1 ZINC000826675828 605694515 /nfs/dbraw/zinc/69/45/15/605694515.db2.gz RSZOIPZHPCGOIT-CYBMUJFWSA-N -1 0 304.390 3.737 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CC23CCCCC3)c(Cl)c1 ZINC000834258528 605711317 /nfs/dbraw/zinc/71/13/17/605711317.db2.gz XTDKEQQZYOEBHK-ZDUSSCGKSA-N -1 0 322.792 3.883 20 0 DHADRM CC(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833474279 605712755 /nfs/dbraw/zinc/71/27/55/605712755.db2.gz OVCDLBWLQYKPMQ-LBPRGKRZSA-N -1 0 305.157 3.708 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000834263295 605752441 /nfs/dbraw/zinc/75/24/41/605752441.db2.gz SPKDOUKENLNDBU-CYBMUJFWSA-N -1 0 303.362 3.621 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000833776673 605804770 /nfs/dbraw/zinc/80/47/70/605804770.db2.gz MSTXKMWWLZOWQR-ZIAGYGMSSA-N -1 0 320.360 3.575 20 0 DHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000833739277 605844963 /nfs/dbraw/zinc/84/49/63/605844963.db2.gz YBTWPZMYXSCMNR-SECBINFHSA-N -1 0 309.287 3.653 20 0 DHADRM CC(C)c1cnc(SCc2cc(C(=O)[O-])ccc2F)n1C ZINC000833511583 605861620 /nfs/dbraw/zinc/86/16/20/605861620.db2.gz YZCPCCHQWZCRIB-UHFFFAOYSA-N -1 0 308.378 3.673 20 0 DHADRM Cc1scc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1C ZINC000833938769 605866899 /nfs/dbraw/zinc/86/68/99/605866899.db2.gz PVCQVQVPHYFYBM-UHFFFAOYSA-N -1 0 308.334 3.846 20 0 DHADRM Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1NC(=O)[O-] ZINC000829924891 605883059 /nfs/dbraw/zinc/88/30/59/605883059.db2.gz LKCIMPNCOXHHJB-INIZCTEOSA-N -1 0 310.353 3.672 20 0 DHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000829716630 605888607 /nfs/dbraw/zinc/88/86/07/605888607.db2.gz LQSBNBSCBVBFHD-CYBMUJFWSA-N -1 0 323.418 3.526 20 0 DHADRM O=C([O-])NCc1cccc(Oc2ncncc2-c2ccccc2)c1 ZINC000834246777 605951604 /nfs/dbraw/zinc/95/16/04/605951604.db2.gz JOILCJCTGQDKIA-UHFFFAOYSA-N -1 0 321.336 3.704 20 0 DHADRM O=C([O-])Nc1ccc(OCc2nc(C(F)(F)F)cs2)cc1 ZINC000834262785 605955820 /nfs/dbraw/zinc/95/58/20/605955820.db2.gz UBXOUTAOEQJBRQ-UHFFFAOYSA-N -1 0 318.276 3.831 20 0 DHADRM O=C([O-])Nc1cccc(COc2ccc(Br)nc2)c1 ZINC000834269722 605993914 /nfs/dbraw/zinc/99/39/14/605993914.db2.gz OKXLYFNRVGXYQO-UHFFFAOYSA-N -1 0 323.146 3.513 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000834264851 606004918 /nfs/dbraw/zinc/00/49/18/606004918.db2.gz OBDBVYHFKPUCEU-UHFFFAOYSA-N -1 0 323.308 3.684 20 0 DHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1ccc(F)cc1 ZINC000833906841 606010977 /nfs/dbraw/zinc/01/09/77/606010977.db2.gz OBOXMIMPVDSCKF-UHFFFAOYSA-N -1 0 317.320 3.546 20 0 DHADRM CC(C)(C)C1CCN(C(=O)Cc2ccccc2NC(=O)[O-])CC1 ZINC000833791077 606061768 /nfs/dbraw/zinc/06/17/68/606061768.db2.gz VJLVVDIUOZSTLN-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC001600109765 970765903 /nfs/dbraw/zinc/76/59/03/970765903.db2.gz DAQVWKXXLDUYCJ-UHFFFAOYSA-N -1 0 321.376 3.623 20 0 DHADRM Cc1cc(C)c(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000728155815 939055463 /nfs/dbraw/zinc/05/54/63/939055463.db2.gz CAISMVAAWRVJAN-ZBTAVZRMSA-N -1 0 323.392 3.567 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000761391756 939065689 /nfs/dbraw/zinc/06/56/89/939065689.db2.gz ORWRKZHMSSDZDT-VAWYXSNFSA-N -1 0 321.804 3.647 20 0 DHADRM CC[C@@](NC(=O)/C=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000776618786 939089269 /nfs/dbraw/zinc/08/92/69/939089269.db2.gz ACIKBDDSAMKWJD-QQBSYFJQSA-N -1 0 315.413 3.629 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000314970256 939120410 /nfs/dbraw/zinc/12/04/10/939120410.db2.gz WAXRROBRJGJQEV-CQSZACIVSA-N -1 0 318.760 3.596 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000317319641 939121995 /nfs/dbraw/zinc/12/19/95/939121995.db2.gz VWVREEJINWCPGP-CQSZACIVSA-N -1 0 317.410 3.601 20 0 DHADRM CC(C)c1ccccc1NC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000320303809 939123380 /nfs/dbraw/zinc/12/33/80/939123380.db2.gz BNXYYUGJVYJVQH-INIZCTEOSA-N -1 0 318.417 3.965 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2cccc3ccccc32)CCCCC1 ZINC000390273155 939134957 /nfs/dbraw/zinc/13/49/57/939134957.db2.gz KGIRKIFRBUJKGN-UHFFFAOYSA-N -1 0 312.369 3.749 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001320663500 939830216 /nfs/dbraw/zinc/83/02/16/939830216.db2.gz KFUHEJWTMWFVPM-LRDDRELGSA-N -1 0 321.392 3.674 20 0 DHADRM C[C@@](NC(=O)CC/C=C\c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000675981739 939865914 /nfs/dbraw/zinc/86/59/14/939865914.db2.gz LZCAAMNOGRRHOS-CRLZUZNUSA-N -1 0 323.392 3.596 20 0 DHADRM C[C@](NC(=O)CC/C=C/c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000675981740 939865931 /nfs/dbraw/zinc/86/59/31/939865931.db2.gz LZCAAMNOGRRHOS-GPVYEGESSA-N -1 0 323.392 3.596 20 0 DHADRM Cc1ccc(/C=C\CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000678977873 939868309 /nfs/dbraw/zinc/86/83/09/939868309.db2.gz PHINZAXLHJGUNA-HCZHMGAMSA-N -1 0 323.392 3.515 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000683921665 939871265 /nfs/dbraw/zinc/87/12/65/939871265.db2.gz ZSYUUEIHCOTVEA-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM CC1(C)CC(NC(=O)Cc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC000322096165 970847247 /nfs/dbraw/zinc/84/72/47/970847247.db2.gz GESUFZKRCNJQSP-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1nc(C2CCCCC2)sc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001611232683 970948170 /nfs/dbraw/zinc/94/81/70/970948170.db2.gz ZGOKKXCMYJYWCD-MRVPVSSYSA-N -1 0 321.402 3.737 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000328207300 971454261 /nfs/dbraw/zinc/45/42/61/971454261.db2.gz IPCVXQNREOUTIG-WBVHZDCISA-N -1 0 324.380 3.728 20 0 DHADRM CC[C@@H](CNC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001589553145 948770039 /nfs/dbraw/zinc/77/00/39/948770039.db2.gz WKYABUHVFAZUBE-NSHDSACASA-N -1 0 309.431 3.636 20 0 DHADRM CC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC001589563851 948834984 /nfs/dbraw/zinc/83/49/84/948834984.db2.gz CSVSUWJTBOXARI-KLQCNHIUSA-N -1 0 313.353 3.567 20 0 DHADRM CCCC[C@H](NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000342564125 971519123 /nfs/dbraw/zinc/51/91/23/971519123.db2.gz JDOITFPOEWZMHL-LBPRGKRZSA-N -1 0 323.389 3.722 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000050922907 948922371 /nfs/dbraw/zinc/92/23/71/948922371.db2.gz WCWUNYIGMUMXRK-CYBMUJFWSA-N -1 0 310.781 3.591 20 0 DHADRM Cc1cc(NC(=O)N[C@H](C)c2ccsc2)ccc1C(=O)[O-] ZINC000061370694 948947099 /nfs/dbraw/zinc/94/70/99/948947099.db2.gz PAISUGVXYWVJRV-SNVBAGLBSA-N -1 0 304.371 3.637 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001589578829 948993911 /nfs/dbraw/zinc/99/39/11/948993911.db2.gz PGJJHDQFRPVXNK-NRUUGDAUSA-N -1 0 314.740 3.584 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358581115 971531497 /nfs/dbraw/zinc/53/14/97/971531497.db2.gz AELDZSAWVROZMD-LBPRGKRZSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(C)cc1 ZINC000358611970 971532790 /nfs/dbraw/zinc/53/27/90/971532790.db2.gz UMBHCKKTCUKRBR-MRXNPFEDSA-N -1 0 315.344 3.713 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001589585090 949038755 /nfs/dbraw/zinc/03/87/55/949038755.db2.gz ZFQWSERUJMVQJU-KSSFIOAISA-N -1 0 309.450 3.696 20 0 DHADRM Cc1oc(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)cc1C(=O)[O-] ZINC000362582368 971535906 /nfs/dbraw/zinc/53/59/06/971535906.db2.gz XXLVQSHIUKPXBE-DGCLKSJQSA-N -1 0 321.417 3.755 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001589591341 949088146 /nfs/dbraw/zinc/08/81/46/949088146.db2.gz OUAXIRPQMGCLCV-DNVCBOLYSA-N -1 0 317.429 3.592 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 ZINC001589591967 949096915 /nfs/dbraw/zinc/09/69/15/949096915.db2.gz ULSGRJNXKFFBMP-WKOYGUFESA-N -1 0 311.397 3.524 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 ZINC001589591966 949097486 /nfs/dbraw/zinc/09/74/86/949097486.db2.gz ULSGRJNXKFFBMP-VWILAXROSA-N -1 0 311.397 3.524 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001595227597 949325848 /nfs/dbraw/zinc/32/58/48/949325848.db2.gz FJUFHJITTLWBBA-UHFFFAOYSA-N -1 0 319.763 3.736 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589621251 949414089 /nfs/dbraw/zinc/41/40/89/949414089.db2.gz HXPQNGFVIWCPHF-CJNGLKHVSA-N -1 0 303.402 3.734 20 0 DHADRM O=C([O-])c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2)c1 ZINC001595241354 949464078 /nfs/dbraw/zinc/46/40/78/949464078.db2.gz TUYUXEBXEARSGI-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cscc2C(F)(F)F)c1 ZINC001595249325 949538942 /nfs/dbraw/zinc/53/89/42/949538942.db2.gz ZLXJBNTWMSNNRY-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM O=C([O-])c1ccccc1CNc1nccc(Oc2ccccc2)n1 ZINC001595255143 949588971 /nfs/dbraw/zinc/58/89/71/949588971.db2.gz HWBGVZILFDUQKZ-UHFFFAOYSA-N -1 0 321.336 3.579 20 0 DHADRM O=C([O-])c1ccccc1CNc1nc(-c2ccccc2)ns1 ZINC001595255284 949593156 /nfs/dbraw/zinc/59/31/56/949593156.db2.gz LXCGTBATXHRPGF-UHFFFAOYSA-N -1 0 311.366 3.515 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589637485 949628655 /nfs/dbraw/zinc/62/86/55/949628655.db2.gz IXUNDMSIVWAXQN-FVQBIDKESA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589637605 949631105 /nfs/dbraw/zinc/63/11/05/949631105.db2.gz LWIXAKAETOMNID-LSDHHAIUSA-N -1 0 312.454 3.537 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001589641779 949697730 /nfs/dbraw/zinc/69/77/30/949697730.db2.gz ARODBEUKIKEYLD-HNNXBMFYSA-N -1 0 318.417 3.639 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(F)c2occc21 ZINC001595264898 949731862 /nfs/dbraw/zinc/73/18/62/949731862.db2.gz CMLRNSMSVCMKHA-UHFFFAOYSA-N -1 0 305.286 3.584 20 0 DHADRM Cc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(Cl)c1 ZINC000232603617 949779587 /nfs/dbraw/zinc/77/95/87/949779587.db2.gz XUZAEGOWXLILGR-LBPRGKRZSA-N -1 0 311.809 3.515 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236943129 949943993 /nfs/dbraw/zinc/94/39/93/949943993.db2.gz MLKIPXZGMNTQSN-RHSMWYFYSA-N -1 0 317.429 3.598 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237639659 949971589 /nfs/dbraw/zinc/97/15/89/949971589.db2.gz WOAVLQFBIVKUFK-LLVKDONJSA-N -1 0 317.772 3.600 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 ZINC001602820325 971625112 /nfs/dbraw/zinc/62/51/12/971625112.db2.gz RDMZQVKCPJSFLO-SNVBAGLBSA-N -1 0 321.323 3.662 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000261975805 950053235 /nfs/dbraw/zinc/05/32/35/950053235.db2.gz QRQXZFSQGFZOGD-UHFFFAOYSA-N -1 0 306.406 3.883 20 0 DHADRM CCCSc1ccc(COC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001589686617 950082667 /nfs/dbraw/zinc/08/26/67/950082667.db2.gz QRBPCRKYQJISAG-UHFFFAOYSA-N -1 0 320.410 3.653 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001589691266 950112355 /nfs/dbraw/zinc/11/23/55/950112355.db2.gz HHYDUDLYJSPSLC-OAHLLOKOSA-N -1 0 305.418 3.648 20 0 DHADRM CC(C)(CCNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000262900984 950183048 /nfs/dbraw/zinc/18/30/48/950183048.db2.gz DRCQWLIZYBZECN-UHFFFAOYSA-N -1 0 323.458 3.567 20 0 DHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000263013991 950215037 /nfs/dbraw/zinc/21/50/37/950215037.db2.gz CPHMBWIJTAWLEU-WCBMZHEXSA-N -1 0 320.191 3.675 20 0 DHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263035877 950224893 /nfs/dbraw/zinc/22/48/93/950224893.db2.gz LBKDEISIOBQRPG-INIZCTEOSA-N -1 0 324.380 3.682 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000263106361 950267821 /nfs/dbraw/zinc/26/78/21/950267821.db2.gz KPQVPQZMJJOGCD-OLZOCXBDSA-N -1 0 318.417 3.559 20 0 DHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccsc1Cl ZINC000308356969 950638185 /nfs/dbraw/zinc/63/81/85/950638185.db2.gz NTPGSBVPWPLBFR-ZDUSSCGKSA-N -1 0 307.802 3.586 20 0 DHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000316451829 950882971 /nfs/dbraw/zinc/88/29/71/950882971.db2.gz JWXNCAYYPKFJQD-LBPRGKRZSA-N -1 0 321.373 3.510 20 0 DHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)sc1C ZINC000317192746 950900370 /nfs/dbraw/zinc/90/03/70/950900370.db2.gz KLQYAPXJJSJWIB-CYBMUJFWSA-N -1 0 315.394 3.584 20 0 DHADRM Cc1cccc(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000325360050 951082866 /nfs/dbraw/zinc/08/28/66/951082866.db2.gz 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ZINC001589420916 954604309 /nfs/dbraw/zinc/60/43/09/954604309.db2.gz VONQPYJASOTBLS-SGFLJFKBSA-N -1 0 324.465 3.511 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001589447360 954777041 /nfs/dbraw/zinc/77/70/41/954777041.db2.gz JDBMXDXLJKJLDR-RQMAVPSVSA-N -1 0 321.461 3.552 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCCCC(=O)[O-])CC1 ZINC001589448223 954784523 /nfs/dbraw/zinc/78/45/23/954784523.db2.gz YROVTQWSOZXUCO-FVRSWCFKSA-N -1 0 309.450 3.600 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001589451123 954799453 /nfs/dbraw/zinc/79/94/53/954799453.db2.gz CAJIGLONYZQECM-KBPBESRZSA-N -1 0 317.429 3.557 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589451146 954800020 /nfs/dbraw/zinc/80/00/20/954800020.db2.gz CBJDQMQUWGBRLY-HIFRSBDPSA-N -1 0 317.429 3.557 20 0 DHADRM CC[C@@H](C)N(CCc1ccccc1F)C(=O)CCCCC(=O)[O-] ZINC001589459066 954857717 /nfs/dbraw/zinc/85/77/17/954857717.db2.gz UKWXMPWGEYGAOW-CQSZACIVSA-N -1 0 323.408 3.640 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)C(C)(C)C ZINC001589464761 954893316 /nfs/dbraw/zinc/89/33/16/954893316.db2.gz XGYWPOLUFZIIAV-GDBMZVCRSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C(C)(C)C ZINC001589464764 954893942 /nfs/dbraw/zinc/89/39/42/954893942.db2.gz XGYWPOLUFZIIAV-ZBFHGGJFSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@@H](C)Oc1cc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc(C)n1 ZINC001589465227 954898493 /nfs/dbraw/zinc/89/84/93/954898493.db2.gz ZIYWYPGRSBYDTH-DGCLKSJQSA-N -1 0 323.437 3.654 20 0 DHADRM CC[C@H](C)Oc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc(C)n1 ZINC001589465225 954899122 /nfs/dbraw/zinc/89/91/22/954899122.db2.gz ZIYWYPGRSBYDTH-AAEUAGOBSA-N -1 0 323.437 3.654 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@H]1CCSc2ccccc21 ZINC001589483139 954987278 /nfs/dbraw/zinc/98/72/78/954987278.db2.gz JCPFUPWNPNHKOG-LBPRGKRZSA-N -1 0 308.399 3.658 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc3ccsc32)C1 ZINC000386672399 972072807 /nfs/dbraw/zinc/07/28/07/972072807.db2.gz VOCNWFJURQVKIU-NEPJUHHUSA-N -1 0 303.383 3.731 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc3ccsc32)C1 ZINC000386672433 972073070 /nfs/dbraw/zinc/07/30/70/972073070.db2.gz VOCNWFJURQVKIU-VXGBXAGGSA-N -1 0 303.383 3.731 20 0 DHADRM CC(C)CCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603021438 972080810 /nfs/dbraw/zinc/08/08/10/972080810.db2.gz HQQWMYGPXSXWFP-HZPDHXFCSA-N -1 0 303.402 3.632 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000761723705 955312803 /nfs/dbraw/zinc/31/28/03/955312803.db2.gz GAUGSTGCWJTNBZ-FWLQQBITSA-N -1 0 323.820 3.606 20 0 DHADRM O=C([O-])CCCC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000814184468 955355765 /nfs/dbraw/zinc/35/57/65/955355765.db2.gz OPNCVFAGCXOJAK-UHFFFAOYSA-N -1 0 303.402 3.605 20 0 DHADRM Cc1sc2ncnc(NCc3ccccc3C(=O)[O-])c2c1C ZINC001594511503 955394078 /nfs/dbraw/zinc/39/40/78/955394078.db2.gz YIJDPFBBGHZICY-UHFFFAOYSA-N -1 0 313.382 3.618 20 0 DHADRM Cc1sc(NC(=O)CCCC(=O)[O-])nc1C1CCCCC1 ZINC001594511859 955397645 /nfs/dbraw/zinc/39/76/45/955397645.db2.gz GXXNUYNKONVUQR-UHFFFAOYSA-N -1 0 310.419 3.693 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589013972 955413634 /nfs/dbraw/zinc/41/36/34/955413634.db2.gz GAAPEPIFPJEFFQ-XJKSGUPXSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589014027 955413722 /nfs/dbraw/zinc/41/37/22/955413722.db2.gz IPNXBGXUKFJZPA-GFCCVEGCSA-N -1 0 319.405 3.650 20 0 DHADRM CC(C)C[C@H](CNC(=O)[C@H](F)CC1CCCCC1)CC(=O)[O-] ZINC001603042014 972103757 /nfs/dbraw/zinc/10/37/57/972103757.db2.gz CAPFPHXHBOGPAE-LSDHHAIUSA-N -1 0 315.429 3.548 20 0 DHADRM O=C(/C=C\C1CCCCC1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000846717111 955727561 /nfs/dbraw/zinc/72/75/61/955727561.db2.gz PUXDEXBVZNYCMX-SCEITDHKSA-N -1 0 313.397 3.552 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C)s1 ZINC000864102826 955932433 /nfs/dbraw/zinc/93/24/33/955932433.db2.gz ADIZGNLDCRLEQR-BREXMAIKSA-N -1 0 319.382 3.547 20 0 DHADRM C[C@](NC(=O)/C=C\C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589094358 955969756 /nfs/dbraw/zinc/96/97/56/955969756.db2.gz OPRJXKRZQHNYKB-FNDLEWIFSA-N -1 0 315.413 3.629 20 0 DHADRM CC(C)(CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])CC(F)(F)F ZINC000901578194 956350565 /nfs/dbraw/zinc/35/05/65/956350565.db2.gz PUENMMWYXHVTTJ-LLVKDONJSA-N -1 0 323.355 3.601 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001589160320 956404406 /nfs/dbraw/zinc/40/44/06/956404406.db2.gz CHEAPGQCQABFRG-SECBINFHSA-N -1 0 306.264 3.581 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901742679 956448239 /nfs/dbraw/zinc/44/82/39/956448239.db2.gz BFXOZJYEQZJLTN-BQYQJAHWSA-N -1 0 307.390 3.664 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001589200771 956633381 /nfs/dbraw/zinc/63/33/81/956633381.db2.gz BFVYDMNBWPXGFK-CQSZACIVSA-N -1 0 321.461 3.552 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)O[C@H](c2ccccc2)C(F)F)o1 ZINC001594674657 956648362 /nfs/dbraw/zinc/64/83/62/956648362.db2.gz RBFDJDNFVUYYIV-RCQQVGEISA-N -1 0 322.263 3.541 20 0 DHADRM CC1(C)C[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001589211998 956698162 /nfs/dbraw/zinc/69/81/62/956698162.db2.gz QRPIQSZQCFGJGX-MRXNPFEDSA-N -1 0 309.365 3.537 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000902377683 956713681 /nfs/dbraw/zinc/71/36/81/956713681.db2.gz WWMDYRCLFPCOKI-HZPDHXFCSA-N -1 0 323.392 3.585 20 0 DHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000902731284 956782458 /nfs/dbraw/zinc/78/24/58/956782458.db2.gz JBGCFRGDEFSDHX-LIRRHRJNSA-N -1 0 323.392 3.537 20 0 DHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000902731282 956782591 /nfs/dbraw/zinc/78/25/91/956782591.db2.gz JBGCFRGDEFSDHX-IFXJQAMLSA-N -1 0 323.392 3.537 20 0 DHADRM C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000902731281 956783198 /nfs/dbraw/zinc/78/31/98/956783198.db2.gz JBGCFRGDEFSDHX-AUUYWEPGSA-N -1 0 323.392 3.537 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC001589226883 956807164 /nfs/dbraw/zinc/80/71/64/956807164.db2.gz LVLCMRJAIGPLKB-ZDUSSCGKSA-N -1 0 323.820 3.711 20 0 DHADRM CCOc1ccc(-c2nc(CC)c(C(=O)[O-])s2)cc1OCC ZINC000011826890 956893840 /nfs/dbraw/zinc/89/38/40/956893840.db2.gz VCIGETAORCBMPJ-UHFFFAOYSA-N -1 0 321.398 3.868 20 0 DHADRM Cc1ccc(C)c(SCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013094470 956945026 /nfs/dbraw/zinc/94/50/26/956945026.db2.gz MWLXQXPOPTVYBU-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000013095002 956946620 /nfs/dbraw/zinc/94/66/20/956946620.db2.gz AWQIOABFDRLIGF-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM Cc1cccc([C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000904264298 956951465 /nfs/dbraw/zinc/95/14/65/956951465.db2.gz GUWWTDRUGVQQNJ-OAHLLOKOSA-N -1 0 318.442 3.665 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1c(F)cccc1Cl ZINC000013169625 956952627 /nfs/dbraw/zinc/95/26/27/956952627.db2.gz OORAPZMUYUXHRP-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013178484 956958876 /nfs/dbraw/zinc/95/88/76/956958876.db2.gz AXIRHLNVQJNQFY-HNNXBMFYSA-N -1 0 317.772 3.594 20 0 DHADRM Cc1ccc(C)c(C2CCN(C(=O)CCCCC(=O)[O-])CC2)c1 ZINC000908355803 956985295 /nfs/dbraw/zinc/98/52/95/956985295.db2.gz UEXNYYSMMZPQGF-UHFFFAOYSA-N -1 0 317.429 3.654 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC2CCCCC2)cc1 ZINC000013258079 956994499 /nfs/dbraw/zinc/99/44/99/956994499.db2.gz ZVUFAGDIRHIILF-QGZVFWFLSA-N -1 0 317.429 3.988 20 0 DHADRM CCc1sc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C ZINC000013390812 957046242 /nfs/dbraw/zinc/04/62/42/957046242.db2.gz IBHIQFZEFSBJTD-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000911759281 957092826 /nfs/dbraw/zinc/09/28/26/957092826.db2.gz KPWYNXYSSZNNKE-HIFRSBDPSA-N -1 0 323.820 3.737 20 0 DHADRM C[C@H](CN(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001603149964 972246744 /nfs/dbraw/zinc/24/67/44/972246744.db2.gz PXYFQWADGAESRP-PRWOLLLXSA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])CN(Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000032208305 957176484 /nfs/dbraw/zinc/17/64/84/957176484.db2.gz NQNOZMYAKRTGKF-UHFFFAOYSA-N -1 0 307.752 3.566 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000033462077 957185346 /nfs/dbraw/zinc/18/53/46/957185346.db2.gz KBQHVPQMUSQMFK-BLLLJJGKSA-N -1 0 323.458 3.518 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000035185507 957200075 /nfs/dbraw/zinc/20/00/75/957200075.db2.gz OMTCAUSBCAASPN-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM Cc1ccc(C)c(SCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000036977750 957256157 /nfs/dbraw/zinc/25/61/57/957256157.db2.gz DMPABIRYCHMDSV-UHFFFAOYSA-N -1 0 321.423 3.794 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cc(F)ccc2F)ccc1Cl ZINC000037403766 957276372 /nfs/dbraw/zinc/27/63/72/957276372.db2.gz XEUJXEJGCTVKRQ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1ccc(SCc2noc(-c3cccs3)n2)cc1 ZINC000037429598 957283804 /nfs/dbraw/zinc/28/38/04/957283804.db2.gz XJCZZUUCMMASJD-UHFFFAOYSA-N -1 0 318.379 3.789 20 0 DHADRM CCCC[C@H](C)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001263073090 957296535 /nfs/dbraw/zinc/29/65/35/957296535.db2.gz RPGWNRYBPCDPRB-RCBQFDQVSA-N -1 0 318.417 3.520 20 0 DHADRM Cc1ccc(N[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000037953262 957338323 /nfs/dbraw/zinc/33/83/23/957338323.db2.gz LXVRPOPYNMCLAH-AWEZNQCLSA-N -1 0 320.186 3.995 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)cc2F)CCCC1 ZINC000040215618 957359984 /nfs/dbraw/zinc/35/99/84/957359984.db2.gz YAAHRUHSALCQMJ-UHFFFAOYSA-N -1 0 313.756 3.843 20 0 DHADRM O=C([O-])c1cc(NC(=O)NCCC2CCCC2)ccc1Cl ZINC000040602664 957379227 /nfs/dbraw/zinc/37/92/27/957379227.db2.gz FASUCBVRZMLFDH-UHFFFAOYSA-N -1 0 310.781 3.740 20 0 DHADRM Cc1c(NC(=O)CCCc2cccs2)cccc1C(=O)[O-] ZINC000057351760 957551118 /nfs/dbraw/zinc/55/11/18/957551118.db2.gz FDIWSUQBNWKPGJ-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM O=C([O-])COc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 ZINC000058464620 957558422 /nfs/dbraw/zinc/55/84/22/957558422.db2.gz VXVGPIWRKWUULM-KBXRYBNXSA-N -1 0 308.333 3.602 20 0 DHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000061836370 957591044 /nfs/dbraw/zinc/59/10/44/957591044.db2.gz RJXJHOCOOUINGH-GFCCVEGCSA-N -1 0 311.809 3.578 20 0 DHADRM O=C(CC1CCCCC1)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000062469519 957603860 /nfs/dbraw/zinc/60/38/60/957603860.db2.gz AKPGSZVRYOZCMK-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM O=C([O-])c1ccc(CN(Cc2cccs2)C2CC2)c(F)c1 ZINC000062756034 957609844 /nfs/dbraw/zinc/60/98/44/957609844.db2.gz DNUGVSPBYZFWAL-UHFFFAOYSA-N -1 0 305.374 3.750 20 0 DHADRM O=C([O-])c1cnc(Sc2cc(Cl)ccc2Cl)cn1 ZINC000071182509 957707722 /nfs/dbraw/zinc/70/77/22/957707722.db2.gz PJHPGFHVWYMBMB-UHFFFAOYSA-N -1 0 301.154 3.633 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 ZINC001594282291 957758072 /nfs/dbraw/zinc/75/80/72/957758072.db2.gz PZBAZDIZQAXCJU-INIZCTEOSA-N -1 0 313.397 3.510 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)c1 ZINC001594282559 957759005 /nfs/dbraw/zinc/75/90/05/957759005.db2.gz TYEOUNZXXLHPMO-HNNXBMFYSA-N -1 0 313.353 3.510 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H](CC(C)C)C2)c1 ZINC001594285748 957777794 /nfs/dbraw/zinc/77/77/94/957777794.db2.gz XEEBNHICRPTNPI-AWEZNQCLSA-N -1 0 303.402 3.592 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1Cl ZINC001574787906 957793227 /nfs/dbraw/zinc/79/32/27/957793227.db2.gz JTADTMPOYYWITH-YIZRAAEISA-N -1 0 311.740 3.552 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(F)cc2C)c1 ZINC001594288349 957796172 /nfs/dbraw/zinc/79/61/72/957796172.db2.gz LIXYOWFVKCQJFG-LBPRGKRZSA-N -1 0 315.344 3.632 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC001594288916 957804397 /nfs/dbraw/zinc/80/43/97/957804397.db2.gz KPJRJOVAMLLGQW-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2cccc(Cl)c2F)c1 ZINC001594289146 957808293 /nfs/dbraw/zinc/80/82/93/957808293.db2.gz LUGICIPUBAWISH-UHFFFAOYSA-N -1 0 308.692 3.705 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2OC(F)F)c1 ZINC001594289251 957809717 /nfs/dbraw/zinc/80/97/17/957809717.db2.gz RUEZIMMNKIDXGW-UHFFFAOYSA-N -1 0 321.279 3.547 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001574804419 957849132 /nfs/dbraw/zinc/84/91/32/957849132.db2.gz GRVRALPSSMTCJW-OAHLLOKOSA-N -1 0 313.397 3.634 20 0 DHADRM Cc1cc(C)c(CSCC(=O)[O-])c(OCc2ccccc2)n1 ZINC001594294234 957857637 /nfs/dbraw/zinc/85/76/37/957857637.db2.gz ZMESBDKDIAQUMH-UHFFFAOYSA-N -1 0 317.410 3.595 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1Cc2ccc(Cl)cc2C1 ZINC001574815238 957885632 /nfs/dbraw/zinc/88/56/32/957885632.db2.gz MQEQWMMNJKRIKC-UHFFFAOYSA-N -1 0 316.744 3.586 20 0 DHADRM COc1cc(C)cc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1C ZINC001594054488 958017851 /nfs/dbraw/zinc/01/78/51/958017851.db2.gz NSYRLCOXGNXQNR-UHFFFAOYSA-N -1 0 319.401 3.676 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000088129441 958045370 /nfs/dbraw/zinc/04/53/70/958045370.db2.gz HRUSPOPJWSOSFK-NEPJUHHUSA-N -1 0 303.383 3.731 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000088848187 958071385 /nfs/dbraw/zinc/07/13/85/958071385.db2.gz QPMRAGLVFUMJPT-ZDUSSCGKSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cc(NC(=O)N[C@H]2CCCC3(CC3)C2)ccc1C(=O)[O-] ZINC001594319842 958116853 /nfs/dbraw/zinc/11/68/53/958116853.db2.gz FYIANMSAVYSPMS-ZDUSSCGKSA-N -1 0 302.374 3.538 20 0 DHADRM Cc1cc(NC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c(C)c1O ZINC001594323202 958139771 /nfs/dbraw/zinc/13/97/71/958139771.db2.gz DXAGSHZBIWMKIH-UHFFFAOYSA-N -1 0 314.341 3.660 20 0 DHADRM Cc1cc(NCc2nc3cc(F)ccc3o2)ccc1C(=O)[O-] ZINC001594325289 958162235 /nfs/dbraw/zinc/16/22/35/958162235.db2.gz NHJCPKJRRXVLHP-UHFFFAOYSA-N -1 0 300.289 3.586 20 0 DHADRM Cc1cc2occ(C(=O)NCc3cccc(C(=O)[O-])c3)c2cc1C ZINC001594332697 958241120 /nfs/dbraw/zinc/24/11/20/958241120.db2.gz CQCTWWQXRGLWMP-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM COc1ccc([C@H](OC(=O)CCCCC(=O)[O-])C2CC2)c(C)c1 ZINC001594082746 958282213 /nfs/dbraw/zinc/28/22/13/958282213.db2.gz DPWXYSYTFSMBNV-GOSISDBHSA-N -1 0 320.385 3.643 20 0 DHADRM Cc1c(C(=O)Nc2ncccc2C(=O)[O-])oc2c1c(C)ccc2C ZINC001594353167 958379070 /nfs/dbraw/zinc/37/90/70/958379070.db2.gz HLZSCKPXPTVJCI-UHFFFAOYSA-N -1 0 324.336 3.704 20 0 DHADRM COc1ccc(NCc2cccc(C(=O)[O-])c2)cc1SC ZINC001594105400 958462522 /nfs/dbraw/zinc/46/25/22/958462522.db2.gz LHDKYJLMEQKDKU-UHFFFAOYSA-N -1 0 303.383 3.727 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594366572 958494010 /nfs/dbraw/zinc/49/40/10/958494010.db2.gz PXAHDQCKYOHWKG-FNORWQNLSA-N -1 0 305.717 3.592 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000123258400 958495888 /nfs/dbraw/zinc/49/58/88/958495888.db2.gz LDTWCDKTHIBDAZ-SNVBAGLBSA-N -1 0 323.439 3.680 20 0 DHADRM Cc1ccc(N(C(=O)CCCCC(=O)[O-])C2CCCCC2)nc1 ZINC001594367468 958500228 /nfs/dbraw/zinc/50/02/28/958500228.db2.gz SEJGXAITCFCNKE-UHFFFAOYSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC001594372561 958547287 /nfs/dbraw/zinc/54/72/87/958547287.db2.gz CFKMNFLXVYACLB-WBVHZDCISA-N -1 0 324.380 3.738 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001588480317 958587362 /nfs/dbraw/zinc/58/73/62/958587362.db2.gz HJNOSQVPSQOIRN-MJSCBBHESA-N -1 0 317.429 3.652 20 0 DHADRM C/C(=C\C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)cc1 ZINC001588481259 958593244 /nfs/dbraw/zinc/59/32/44/958593244.db2.gz VYRYGCJCKSSBIU-AYJWMTRPSA-N -1 0 321.392 3.625 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001573372781 958642501 /nfs/dbraw/zinc/64/25/01/958642501.db2.gz ZZRUXBKANUDSFU-ZDUSSCGKSA-N -1 0 317.429 3.590 20 0 DHADRM Cc1ccc2nc(C3CC3)cc(-c3nc([C@H](C)C(=O)[O-])no3)c2c1 ZINC001594382547 958645807 /nfs/dbraw/zinc/64/58/07/958645807.db2.gz BXLLBNGFBMKDBQ-JTQLQIEISA-N -1 0 323.352 3.659 20 0 DHADRM Cc1ccc2occ(CC(=O)Nc3ccccc3CC(=O)[O-])c2c1 ZINC001594385956 958667317 /nfs/dbraw/zinc/66/73/17/958667317.db2.gz LOOKGYVDTPHKDY-UHFFFAOYSA-N -1 0 323.348 3.550 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573389370 958684937 /nfs/dbraw/zinc/68/49/37/958684937.db2.gz DGOMHXUJQMVRNI-STQMWFEESA-N -1 0 319.405 3.506 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)Cc1ccccc1 ZINC001594388224 958694100 /nfs/dbraw/zinc/69/41/00/958694100.db2.gz RIPUAYZXHPXGMQ-UHFFFAOYSA-N -1 0 319.307 3.510 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001594388240 958694161 /nfs/dbraw/zinc/69/41/61/958694161.db2.gz SSLHNQYODZCXCU-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001573406459 958728788 /nfs/dbraw/zinc/72/87/88/958728788.db2.gz VHFIRVOOQMALBT-UHFFFAOYSA-N -1 0 319.401 3.607 20 0 DHADRM Cc1cccc(Cl)c1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594404150 958883513 /nfs/dbraw/zinc/88/35/13/958883513.db2.gz UNSMHXCJNMPSAC-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1cccc(OC(=O)c2coc(/C=C/C(=O)[O-])c2)c1Cl ZINC001594408234 958920927 /nfs/dbraw/zinc/92/09/27/958920927.db2.gz GNYPALZIPGMSDP-AATRIKPKSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1cccc(Nc2nnc(S[C@H](C(=O)[O-])C3CC3)s2)c1 ZINC001594408925 958930085 /nfs/dbraw/zinc/93/00/85/958930085.db2.gz UJNDZVALHSLMAO-NSHDSACASA-N -1 0 321.427 3.545 20 0 DHADRM Cc1cccc2cc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)sc21 ZINC001594413022 958961893 /nfs/dbraw/zinc/96/18/93/958961893.db2.gz RVVMGNLNOYZTOO-GFCCVEGCSA-N -1 0 317.410 3.537 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588551996 959030002 /nfs/dbraw/zinc/03/00/02/959030002.db2.gz NWAWMEKYVKFEQL-PDWCTOEPSA-N -1 0 311.466 3.556 20 0 DHADRM C[C@@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588560805 959097897 /nfs/dbraw/zinc/09/78/97/959097897.db2.gz PCYOVJKDBVEEIA-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588560807 959098579 /nfs/dbraw/zinc/09/85/79/959098579.db2.gz PCYOVJKDBVEEIA-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM CC(C)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC001573567028 959292537 /nfs/dbraw/zinc/29/25/37/959292537.db2.gz QEZMFACQNGIDBZ-UHFFFAOYSA-N -1 0 311.809 3.694 20 0 DHADRM O=C([O-])C1(CNC(=O)c2ccc3c(c2)oc2ccccc23)CCC1 ZINC001605757017 972418118 /nfs/dbraw/zinc/41/81/18/972418118.db2.gz KLJCRHVTZBANNZ-UHFFFAOYSA-N -1 0 323.348 3.571 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573579799 959347864 /nfs/dbraw/zinc/34/78/64/959347864.db2.gz KQJWMMPXHAXYKI-CZUORRHYSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@@H](C(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC001588600082 959414118 /nfs/dbraw/zinc/41/41/18/959414118.db2.gz PCMBIQNSIBWUFH-GFCCVEGCSA-N -1 0 324.336 3.504 20 0 DHADRM C[C@H](C(=O)[O-])c1noc(-c2cc3c(ccc4ccccc34)[nH]2)n1 ZINC001588600207 959416665 /nfs/dbraw/zinc/41/66/65/959416665.db2.gz SJQQTISPSOIVJI-VIFPVBQESA-N -1 0 307.309 3.559 20 0 DHADRM C[C@@H](CNC(=O)NC(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC001573594011 959416751 /nfs/dbraw/zinc/41/67/51/959416751.db2.gz SUAKCRDLKKMVOL-ZDUSSCGKSA-N -1 0 324.465 3.536 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594233527 959492522 /nfs/dbraw/zinc/49/25/22/959492522.db2.gz SKNAUGVWMDWHQS-CYBMUJFWSA-N -1 0 318.417 3.543 20 0 DHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190624872 959513924 /nfs/dbraw/zinc/51/39/24/959513924.db2.gz BNUUVJTYAUSSKK-AWEZNQCLSA-N -1 0 319.445 3.750 20 0 DHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000190870568 959526686 /nfs/dbraw/zinc/52/66/86/959526686.db2.gz CAKHMWAOOVAELG-HNNXBMFYSA-N -1 0 315.344 3.965 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191427495 959566496 /nfs/dbraw/zinc/56/64/96/959566496.db2.gz UQPGZODIIDBFSE-ZDUSSCGKSA-N -1 0 311.381 3.765 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000192918114 959596413 /nfs/dbraw/zinc/59/64/13/959596413.db2.gz KGKLJPJSYNPNLG-KGLIPLIRSA-N -1 0 311.381 3.692 20 0 DHADRM O=C([O-])c1ccc(/C=C/c2ncc(Br)s2)cc1 ZINC000193050804 959609661 /nfs/dbraw/zinc/60/96/61/959609661.db2.gz SYVBKGQJTZBQPB-ZZXKWVIFSA-N -1 0 310.172 3.774 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001588632211 959620445 /nfs/dbraw/zinc/62/04/45/959620445.db2.gz RYDDXRRIOYPIJV-HNNXBMFYSA-N -1 0 315.413 3.592 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC001588644066 959722477 /nfs/dbraw/zinc/72/24/77/959722477.db2.gz ZGGLPTPMHQDCQJ-UHFFFAOYSA-N -1 0 307.434 3.663 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)C(=O)[O-] ZINC001588646239 959737069 /nfs/dbraw/zinc/73/70/69/959737069.db2.gz UINZJIWHNLUYFU-ILXRZTDVSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)cc2ccoc21)C(=O)[O-] ZINC001588647388 959745766 /nfs/dbraw/zinc/74/57/66/959745766.db2.gz FTEOJUWGEXJYBT-CYBMUJFWSA-N -1 0 321.348 3.581 20 0 DHADRM Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1Br ZINC000217269654 959771120 /nfs/dbraw/zinc/77/11/20/959771120.db2.gz QABCVOVKKSRGFM-UHFFFAOYSA-N -1 0 312.207 3.813 20 0 DHADRM C[C@H]1CC(CNC(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](C)C1 ZINC001573698059 959798045 /nfs/dbraw/zinc/79/80/45/959798045.db2.gz FCLWWTXZIUXGRS-VXGBXAGGSA-N -1 0 304.390 3.579 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001573711292 959851279 /nfs/dbraw/zinc/85/12/79/959851279.db2.gz KXJYEBBQYVIDAX-OLMMMNRUSA-N -1 0 321.461 3.622 20 0 DHADRM CCC(CC)(CNC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000225480972 959862191 /nfs/dbraw/zinc/86/21/91/959862191.db2.gz FWIGEVDBPADOEU-UHFFFAOYSA-N -1 0 324.229 3.676 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001574265839 960577982 /nfs/dbraw/zinc/57/79/82/960577982.db2.gz FOHZDOILEVWWQK-KZULUSFZSA-N -1 0 303.402 3.720 20 0 DHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)C1CCC(C)CC1 ZINC001573758998 960592025 /nfs/dbraw/zinc/59/20/25/960592025.db2.gz MVLKXYCZLRAZOB-WZCNAGQFSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)C1(C)C ZINC001574289237 960673216 /nfs/dbraw/zinc/67/32/16/960673216.db2.gz GGEAVLYJVQGJBU-KYADXKRESA-N -1 0 319.401 3.570 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H](C)CCc1ccccc1F)C(=O)[O-] ZINC000236660362 960724925 /nfs/dbraw/zinc/72/49/25/960724925.db2.gz FEGKEHVDMACMQC-CJNGLKHVSA-N -1 0 323.408 3.544 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001573788064 960740442 /nfs/dbraw/zinc/74/04/42/960740442.db2.gz GYUGEYQAGWDGCZ-UHFFFAOYSA-N -1 0 315.369 3.567 20 0 DHADRM CCC(CC)(CNc1cnc2cc(Cl)ccc2n1)C(=O)[O-] ZINC001573790461 960748723 /nfs/dbraw/zinc/74/87/23/960748723.db2.gz WHACSEYZVBQDGC-UHFFFAOYSA-N -1 0 307.781 3.586 20 0 DHADRM CCC[C@](C)(NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000236801405 960761178 /nfs/dbraw/zinc/76/11/78/960761178.db2.gz XETWNDXPFYBUAU-KRWDZBQOSA-N -1 0 323.458 3.545 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC000236799727 960761299 /nfs/dbraw/zinc/76/12/99/960761299.db2.gz MMUQLJZDGDCQQB-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-] ZINC000236819313 960765883 /nfs/dbraw/zinc/76/58/83/960765883.db2.gz SGOGBMZHXPWNCR-GOEBONIOSA-N -1 0 305.418 3.638 20 0 DHADRM CCCOc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000236874241 960787610 /nfs/dbraw/zinc/78/76/10/960787610.db2.gz ORICSUKITUKAJI-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM CC/C(=C/C(=O)NCCCCCCC(=O)[O-])c1ccc(C)cc1 ZINC000236894885 960791676 /nfs/dbraw/zinc/79/16/76/960791676.db2.gz JJJDFOZVWHEWJQ-PEZBUJJGSA-N -1 0 317.429 3.940 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC001574318162 960802628 /nfs/dbraw/zinc/80/26/28/960802628.db2.gz PMFZGIWAOVDGSL-UHFFFAOYSA-N -1 0 313.353 3.576 20 0 DHADRM Cc1cc(C)cc([C@@H](OC(=O)CCCC(=O)[O-])C(F)(F)F)c1 ZINC001574321700 960823630 /nfs/dbraw/zinc/82/36/30/960823630.db2.gz BWLNJKRCSLNMAO-CQSZACIVSA-N -1 0 318.291 3.705 20 0 DHADRM CCc1ccc([C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)C)cc1 ZINC000236992269 960827216 /nfs/dbraw/zinc/82/72/16/960827216.db2.gz RHBSOPQYNAPFCD-SFHVURJKSA-N -1 0 319.445 3.953 20 0 DHADRM CC[C@@H](CNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C)C(=O)[O-] ZINC001573803788 960835444 /nfs/dbraw/zinc/83/54/44/960835444.db2.gz HDJMVLXOFUEJNT-NEPJUHHUSA-N -1 0 318.417 3.704 20 0 DHADRM Cc1cc(Cl)c(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1F ZINC001574329861 960869733 /nfs/dbraw/zinc/86/97/33/960869733.db2.gz JGLRMNWNRNLWAM-HYXAFXHYSA-N -1 0 324.691 3.698 20 0 DHADRM CC[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001573810258 960884101 /nfs/dbraw/zinc/88/41/01/960884101.db2.gz CKYIWRNXPGBVHK-MRXNPFEDSA-N -1 0 318.417 3.543 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC(C)(C)C)cc1 ZINC001319218441 960925123 /nfs/dbraw/zinc/92/51/23/960925123.db2.gz PSUFTAPGSOGDGN-OAHLLOKOSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1ccc(-c2cccc(NC(=O)C3(CC(=O)[O-])CCC3)n2)cc1 ZINC001574347223 960968004 /nfs/dbraw/zinc/96/80/04/960968004.db2.gz 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961159136 /nfs/dbraw/zinc/15/91/36/961159136.db2.gz QTRBIVJBAGJAPL-APHBMKBZSA-N -1 0 309.365 3.681 20 0 DHADRM Cc1ccc2oc(C(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3)cc2c1 ZINC001574392119 961188368 /nfs/dbraw/zinc/18/83/68/961188368.db2.gz PBBMSOAXQVKFJE-QGZVFWFLSA-N -1 0 323.348 3.605 20 0 DHADRM CCCc1ccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001573866590 961193910 /nfs/dbraw/zinc/19/39/10/961193910.db2.gz BKNOLIJWENWMDE-LUAWRHEFSA-N -1 0 300.310 3.549 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001328494699 961210282 /nfs/dbraw/zinc/21/02/82/961210282.db2.gz PSWITEZRJSTEGR-ZDUSSCGKSA-N -1 0 315.413 3.834 20 0 DHADRM CCOc1ccc(-c2cc(=O)n([C@@H](C)c3ccccc3)[n-]2)cc1 ZINC000634599690 1013236414 /nfs/dbraw/zinc/23/64/14/1013236414.db2.gz NDCLWJMUGJOUDQ-AWEZNQCLSA-N -1 0 308.381 3.783 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)NCCCCC(=O)[O-] ZINC001588757382 961226659 /nfs/dbraw/zinc/22/66/59/961226659.db2.gz BJJUMVBYYFRZGE-UHFFFAOYSA-N -1 0 312.454 3.680 20 0 DHADRM 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CC1CCC(C)(CNC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001603394416 973026126 /nfs/dbraw/zinc/02/61/26/973026126.db2.gz FEQLGAJGEIQFEL-UHFFFAOYSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@H]1CCC[C@H](C2CN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)C1 ZINC001603397435 973039212 /nfs/dbraw/zinc/03/92/12/973039212.db2.gz MVLFMWAANZKFFT-GJZGRUSLSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC001603399996 973052112 /nfs/dbraw/zinc/05/21/12/973052112.db2.gz SRYDKPPHHNCKDM-MDZLAQPJSA-N -1 0 322.380 3.718 20 0 DHADRM Cc1ccc(F)cc1[C@H](C)OC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001605284609 973083073 /nfs/dbraw/zinc/08/30/73/973083073.db2.gz LJDVLCQDOOHLBT-XHDPSFHLSA-N -1 0 308.349 3.629 20 0 DHADRM Cc1ccc(Nc2nnc(SCCCC(=O)[O-])s2)cc1 ZINC001605297267 973111628 /nfs/dbraw/zinc/11/16/28/973111628.db2.gz YMMUPUUZYYDDPO-UHFFFAOYSA-N -1 0 309.416 3.547 20 0 DHADRM Cc1c2ccc(N)cc2nn1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001210928976 1014090965 /nfs/dbraw/zinc/09/09/65/1014090965.db2.gz 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3.535 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@H]1C ZINC000668301448 975991176 /nfs/dbraw/zinc/99/11/76/975991176.db2.gz KSKSYGUNBJNMPE-KBPBESRZSA-N -1 0 323.392 3.922 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000668323856 975998793 /nfs/dbraw/zinc/99/87/93/975998793.db2.gz DLGUPWNHLSCSMM-CABCVRRESA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435219 976002547 /nfs/dbraw/zinc/00/25/47/976002547.db2.gz YRCNPHZFKAMGQA-CZUORRHYSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)S[C@@H]1CCCC[C@H]1OC(=O)c1cc(C(=O)[O-])co1 ZINC001591823647 976077299 /nfs/dbraw/zinc/07/72/99/976077299.db2.gz OLBUBSOPNGSRQC-DGCLKSJQSA-N -1 0 312.387 3.587 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000683303845 976084204 /nfs/dbraw/zinc/08/42/04/976084204.db2.gz NAHOCFMFZGYKKB-UHFFFAOYSA-N -1 0 311.381 3.800 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683328938 976088325 /nfs/dbraw/zinc/08/83/25/976088325.db2.gz JBFVDUCHARHPJK-UHFFFAOYSA-N -1 0 303.383 3.996 20 0 DHADRM CC(C)c1[nH]c(CN2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC001591912833 976353774 /nfs/dbraw/zinc/35/37/74/976353774.db2.gz SMRKAAZDYNMTBG-JTQLQIEISA-N -1 0 318.339 3.611 20 0 DHADRM CC[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000261708547 1014328643 /nfs/dbraw/zinc/32/86/43/1014328643.db2.gz KTCSWYLBZIFMMP-KRWDZBQOSA-N -1 0 311.381 3.836 20 0 DHADRM CC(C)c1ccc(NC(=O)CCc2ccco2)c(C(=O)[O-])c1 ZINC001591962777 976550834 /nfs/dbraw/zinc/55/08/34/976550834.db2.gz QUGWPAKQTCAWNK-UHFFFAOYSA-N -1 0 301.342 3.673 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cc(Cl)ccn2)c(C(=O)[O-])c1 ZINC001591967526 976564035 /nfs/dbraw/zinc/56/40/35/976564035.db2.gz DMJNKTRHHLITBJ-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001591974053 976583416 /nfs/dbraw/zinc/58/34/16/976583416.db2.gz PTLACOXOGDTEJF-GOSISDBHSA-N -1 0 323.392 3.926 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C(=O)[O-])no1 ZINC001591986399 976608046 /nfs/dbraw/zinc/60/80/46/976608046.db2.gz DHRRYIJTFPXSFE-UHFFFAOYSA-N -1 0 316.357 3.872 20 0 DHADRM CC(C)c1cnc(CNc2cc(C(=O)[O-])cc3cccnc32)o1 ZINC001592002833 976655516 /nfs/dbraw/zinc/65/55/16/976655516.db2.gz PFUPFKKKJMVSQC-UHFFFAOYSA-N -1 0 311.341 3.657 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001592003226 976660015 /nfs/dbraw/zinc/66/00/15/976660015.db2.gz MOSFLKKQAOGURH-UHFFFAOYSA-N -1 0 309.268 3.632 20 0 DHADRM CC(C)c1nc(NC(=O)[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC001592028590 976729667 /nfs/dbraw/zinc/72/96/67/976729667.db2.gz NOSSSWBDNBANSD-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM CC(C)c1occc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001592102180 976866912 /nfs/dbraw/zinc/86/69/12/976866912.db2.gz FERXTFPYPSSPCI-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC001592112213 976905989 /nfs/dbraw/zinc/90/59/89/976905989.db2.gz YKZZGKHHRYODQI-UWVGGRQHSA-N -1 0 310.419 3.730 20 0 DHADRM C[C@@H](CNC(=O)c1ccc(C2CCCCC2)cc1)CC(=O)[O-] ZINC000537485122 1031921812 /nfs/dbraw/zinc/92/18/12/1031921812.db2.gz GYGNFRIXALVMBM-CYBMUJFWSA-N -1 0 303.402 3.575 20 0 DHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCCC1 ZINC001592245512 977471182 /nfs/dbraw/zinc/47/11/82/977471182.db2.gz GFZIEGFZBQMTCR-AWEZNQCLSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001592261881 977504590 /nfs/dbraw/zinc/50/45/90/977504590.db2.gz IQJCNQQKJJVARI-VHSSKADRSA-N -1 0 323.392 3.610 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC001592367772 977873979 /nfs/dbraw/zinc/87/39/79/977873979.db2.gz UQVQKRNVBDNRKF-JGVFFNPUSA-N -1 0 305.157 3.708 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC001592371299 977892341 /nfs/dbraw/zinc/89/23/41/977892341.db2.gz QYTFSSSTOFYUEI-LBPRGKRZSA-N -1 0 307.365 3.602 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(C2CCCCC2)cs1 ZINC001592395857 977955402 /nfs/dbraw/zinc/95/54/02/977955402.db2.gz PBQAZRPQDFSGEI-JTQLQIEISA-N -1 0 310.419 3.630 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC001592423277 978039208 /nfs/dbraw/zinc/03/92/08/978039208.db2.gz CUYXKAYIOJCGPI-NSHDSACASA-N -1 0 318.348 3.647 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC001592424830 978048046 /nfs/dbraw/zinc/04/80/46/978048046.db2.gz XZPALOKWWFQHKF-SSDOTTSWSA-N -1 0 315.156 3.545 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001592424896 978048561 /nfs/dbraw/zinc/04/85/61/978048561.db2.gz ZHWQBRTVUQHIEG-MEBBXXQBSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592434073 978071595 /nfs/dbraw/zinc/07/15/95/978071595.db2.gz SBSUGRYKYIOANR-GFCCVEGCSA-N -1 0 323.348 3.965 20 0 DHADRM C[C@H](CC(=O)Oc1ccc(Cl)cc1C(=O)[O-])C(F)(F)F ZINC001592434424 978075099 /nfs/dbraw/zinc/07/50/99/978075099.db2.gz ZVDHSFAHLBEHPV-ZCFIWIBFSA-N -1 0 310.655 3.532 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001592439911 978093598 /nfs/dbraw/zinc/09/35/98/978093598.db2.gz PVUXOQDRTITPNP-BXUZGUMPSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@@H](CC1CCC1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592459503 978178671 /nfs/dbraw/zinc/17/86/71/978178671.db2.gz MNKYIASYCVRHJJ-VIFPVBQESA-N -1 0 310.781 3.738 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592466253 978211752 /nfs/dbraw/zinc/21/17/52/978211752.db2.gz UASWUHUVEMPWQN-LBPRGKRZSA-N -1 0 322.376 3.965 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001592477907 978247849 /nfs/dbraw/zinc/24/78/49/978247849.db2.gz NZNXSDFEZBINFL-GFCCVEGCSA-N -1 0 309.381 3.706 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001592478556 978252217 /nfs/dbraw/zinc/25/22/17/978252217.db2.gz SXTYAYQOVKASJY-HOCLYGCPSA-N -1 0 319.445 3.651 20 0 DHADRM C[C@H](CCNC(=O)Nc1cccc(C(=O)[O-])c1)CC(C)(C)C ZINC001592521149 978372559 /nfs/dbraw/zinc/37/25/59/978372559.db2.gz LKMRMUMOLHXKHG-GFCCVEGCSA-N -1 0 306.406 3.969 20 0 DHADRM CCCc1nc(COC(=O)c2ccccc2NC(=O)[O-])cs1 ZINC000737050492 978376110 /nfs/dbraw/zinc/37/61/10/978376110.db2.gz MVIRGDJCIPCOKF-UHFFFAOYSA-N -1 0 320.370 3.543 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737257921 978393451 /nfs/dbraw/zinc/39/34/51/978393451.db2.gz SWFGUAJBMYBQLR-LLVKDONJSA-N -1 0 314.385 3.716 20 0 DHADRM C[C@H](CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)CC(C)(C)C ZINC001592610201 978560976 /nfs/dbraw/zinc/56/09/76/978560976.db2.gz FXMCCDRKAXHMIC-NHYWBVRUSA-N -1 0 309.381 3.550 20 0 DHADRM CC(C)c1ccc2cc(C(=O)NCCCCCC(=O)[O-])[nH]c2c1 ZINC000746338214 978682220 /nfs/dbraw/zinc/68/22/20/978682220.db2.gz PRRLLUNIQSGAQC-UHFFFAOYSA-N -1 0 316.401 3.666 20 0 DHADRM CCSc1ccccc1C(=O)NCCCCCCC(=O)[O-] ZINC000746368015 978684031 /nfs/dbraw/zinc/68/40/31/978684031.db2.gz UJMKDKAFFJACRU-UHFFFAOYSA-N -1 0 309.431 3.564 20 0 DHADRM Cc1c(NC(=O)[C@H](C)Cc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000766897728 978728116 /nfs/dbraw/zinc/72/81/16/978728116.db2.gz GHWMDSWPKKUTLA-LLVKDONJSA-N -1 0 315.344 3.650 20 0 DHADRM C/C(=C\C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)(C)C ZINC000767155389 978735980 /nfs/dbraw/zinc/73/59/80/978735980.db2.gz KDIDTYJMQHIHGD-XYOKQWHBSA-N -1 0 321.442 3.935 20 0 DHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000777358399 978775938 /nfs/dbraw/zinc/77/59/38/978775938.db2.gz IQJQYYRITQZZES-UHFFFAOYSA-N -1 0 319.360 3.744 20 0 DHADRM CC1CCC(=CC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000786620271 978795452 /nfs/dbraw/zinc/79/54/52/978795452.db2.gz YBOUEPWXZIXYGE-UHFFFAOYSA-N -1 0 301.386 3.779 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788089792 978796526 /nfs/dbraw/zinc/79/65/26/978796526.db2.gz LVJSKMDLWNDVIM-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000799251548 978840816 /nfs/dbraw/zinc/84/08/16/978840816.db2.gz GFXCQABWFDYFOU-DNVCBOLYSA-N -1 0 319.445 3.752 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820146 978864746 /nfs/dbraw/zinc/86/47/46/978864746.db2.gz PIBHNOFPMMCLMK-GHMZBOCLSA-N -1 0 309.793 3.594 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811823577 978868435 /nfs/dbraw/zinc/86/84/35/978868435.db2.gz SCWONJMLTYZDQA-MRXNPFEDSA-N -1 0 309.793 3.691 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000823352857 978937805 /nfs/dbraw/zinc/93/78/05/978937805.db2.gz IUASWYFRQGLJQL-HGZMWJMZSA-N -1 0 323.392 3.828 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000826577810 978947372 /nfs/dbraw/zinc/94/73/72/978947372.db2.gz KOWGVRDWRXUZDW-ALCCZGGFSA-N -1 0 319.401 3.666 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000826861166 978950381 /nfs/dbraw/zinc/95/03/81/978950381.db2.gz PSEGTTJHGZFKEW-INIZCTEOSA-N -1 0 318.417 3.650 20 0 DHADRM CC[C@@H](C)n1ncc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001595027600 979145452 /nfs/dbraw/zinc/14/54/52/979145452.db2.gz ZEZXTFOSWQBCOV-BMIGLBTASA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595033054 979171834 /nfs/dbraw/zinc/17/18/34/979171834.db2.gz BLVKLJKBHMPMNM-DNVCBOLYSA-N -1 0 319.445 3.608 20 0 DHADRM CC[C@H](CC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001595033058 979172924 /nfs/dbraw/zinc/17/29/24/979172924.db2.gz BMMHRPSNSQEUEM-OAHLLOKOSA-N -1 0 317.429 3.722 20 0 DHADRM CC[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1F)C(C)(C)C ZINC001595035383 979184357 /nfs/dbraw/zinc/18/43/57/979184357.db2.gz FBUPDTGDLLLSDT-LBPRGKRZSA-N -1 0 310.365 3.821 20 0 DHADRM C[C@@H](CNc1ccc2cnn(CC(=O)[O-])c2c1)C1CCCCC1 ZINC001592728346 979236429 /nfs/dbraw/zinc/23/64/29/979236429.db2.gz ADRYRQBGABQGSE-ZDUSSCGKSA-N -1 0 315.417 3.749 20 0 DHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ccc(Cl)s1 ZINC001595048916 979270655 /nfs/dbraw/zinc/27/06/55/979270655.db2.gz TZAYLCAITKRUPL-UHFFFAOYSA-N -1 0 304.795 3.726 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2ccccc2c1 ZINC001595050723 979280738 /nfs/dbraw/zinc/28/07/38/979280738.db2.gz XMWKXBOCIKTCSX-UHFFFAOYSA-N -1 0 314.385 3.995 20 0 DHADRM CC(C)Oc1c(F)cc(NC2CCC(C(=O)[O-])CC2)cc1F ZINC000840995050 979295120 /nfs/dbraw/zinc/29/51/20/979295120.db2.gz OWTKRNOWJAVKIR-UHFFFAOYSA-N -1 0 313.344 3.807 20 0 DHADRM CCC(CC)(CC)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595057994 979306012 /nfs/dbraw/zinc/30/60/12/979306012.db2.gz YHZOFWWMHMYRKO-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM O=C([O-])c1cc(F)c(Nc2ncc(F)cc2Cl)c(F)c1 ZINC001215611962 1014569811 /nfs/dbraw/zinc/56/98/11/1014569811.db2.gz HBPPQSRKWSOFPV-UHFFFAOYSA-N -1 0 302.639 3.594 20 0 DHADRM C[C@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC001592765371 979371411 /nfs/dbraw/zinc/37/14/11/979371411.db2.gz SCZXKBAJTQKOQK-FTXHTYHOSA-N -1 0 316.397 3.759 20 0 DHADRM CCC(CC)(COC(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001595088461 979377589 /nfs/dbraw/zinc/37/75/89/979377589.db2.gz HQFPSHFVTHBQKY-UHFFFAOYSA-N -1 0 308.252 3.503 20 0 DHADRM CC(C)Cc1ccc([C@H](NC(=O)CCCC(=O)[O-])C2CC2)cc1 ZINC000844245384 979390727 /nfs/dbraw/zinc/39/07/27/979390727.db2.gz GLPPEZWJRMWYOL-IBGZPJMESA-N -1 0 317.429 3.707 20 0 DHADRM Cc1ccc(N(Cc2cccs2)C(=O)CCCC(=O)[O-])cc1 ZINC000844245940 979390737 /nfs/dbraw/zinc/39/07/37/979390737.db2.gz DQGVUQXFNIXVTD-UHFFFAOYSA-N -1 0 317.410 3.845 20 0 DHADRM O=C([O-])C[C@H](NC(=O)/C=C\C1CCCC1)c1cccc(Cl)c1 ZINC000846116478 979405657 /nfs/dbraw/zinc/40/56/57/979405657.db2.gz IEZRWVJXZOFGCD-CDNLZTBQSA-N -1 0 321.804 3.718 20 0 DHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\C1CCCC1 ZINC000846118046 979406601 /nfs/dbraw/zinc/40/66/01/979406601.db2.gz JPLFFLBMGRPHOD-SEYXRHQNSA-N -1 0 315.413 3.626 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C/C2CCCCCC2)C1 ZINC000846118020 979406694 /nfs/dbraw/zinc/40/66/94/979406694.db2.gz IPWZMVZWCJBZJL-SOGBHIHOSA-N -1 0 307.434 3.616 20 0 DHADRM CCC(CC)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001595106231 979429514 /nfs/dbraw/zinc/42/95/14/979429514.db2.gz ZMZJSUIVTHWMPH-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595106884 979437104 /nfs/dbraw/zinc/43/71/04/979437104.db2.gz YOTAHPWTPGMOIH-LLVKDONJSA-N -1 0 324.446 3.659 20 0 DHADRM CCC(CC)CC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595109453 979441528 /nfs/dbraw/zinc/44/15/28/979441528.db2.gz AXOIFRMHWFOFIC-ORAYPTAESA-N -1 0 317.429 3.806 20 0 DHADRM CCC(CC)CCCN(C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595110052 979451754 /nfs/dbraw/zinc/45/17/54/979451754.db2.gz VTUFBEYWLGDLGI-UHFFFAOYSA-N -1 0 321.421 3.768 20 0 DHADRM CCC(CC)c1cc(CNc2ccc(C)c(C(=O)[O-])n2)on1 ZINC001595121368 979489729 /nfs/dbraw/zinc/48/97/29/979489729.db2.gz KGVORZKFCWBDQO-UHFFFAOYSA-N -1 0 303.362 3.592 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001595125686 979509131 /nfs/dbraw/zinc/50/91/31/979509131.db2.gz GDHFTVPVGLTXAL-CYBMUJFWSA-N -1 0 318.417 3.902 20 0 DHADRM CN(C(=O)C1CC2(C1)CCCCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000851596949 979512149 /nfs/dbraw/zinc/51/21/49/979512149.db2.gz PDTJPEOKXIULDM-MRXNPFEDSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595126535 979518982 /nfs/dbraw/zinc/51/89/82/979518982.db2.gz WOEFUGZNOUHUSY-RVKKMQEKSA-N -1 0 309.450 3.743 20 0 DHADRM CC1(c2cc(NC(=O)c3c([O-])cc(F)cc3F)no2)CCCC1 ZINC000684151138 1014581649 /nfs/dbraw/zinc/58/16/49/1014581649.db2.gz CAJZUFMJQHJXHI-UHFFFAOYSA-N -1 0 322.311 3.742 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595126744 979521927 /nfs/dbraw/zinc/52/19/27/979521927.db2.gz ZQLIRAQABAHLKM-CQSZACIVSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@H](CSCCCc1ccccc1Br)C(=O)[O-] ZINC001592825968 979547718 /nfs/dbraw/zinc/54/77/18/979547718.db2.gz QPJBYYZGRBVDEW-SNVBAGLBSA-N -1 0 317.248 3.836 20 0 DHADRM C[C@@H](CSCCCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001592826351 979550598 /nfs/dbraw/zinc/55/05/98/979550598.db2.gz ZRVQMWVCJYVEIK-LBPRGKRZSA-N -1 0 319.467 3.525 20 0 DHADRM O=C([O-])Cc1cccc(NC/C=C/c2ccc(F)cc2F)c1 ZINC001595132497 979557208 /nfs/dbraw/zinc/55/72/08/979557208.db2.gz IXXQSVGYFDGMAL-DUXPYHPUSA-N -1 0 303.308 3.717 20 0 DHADRM CC(C)[C@@H]1C[C@H](Nc2ccc(C(C)(C)C(=O)[O-])cc2)CS1 ZINC000859811067 979641378 /nfs/dbraw/zinc/64/13/78/979641378.db2.gz YNMQAKJLDPLHFW-GJZGRUSLSA-N -1 0 307.459 3.991 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1)C(=O)[O-] ZINC001592857320 979663737 /nfs/dbraw/zinc/66/37/37/979663737.db2.gz ITUXWGCPFIISNP-LBPRGKRZSA-N -1 0 317.429 3.961 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)NC[C@@H](C)C(C)(C)C)cc1)C(=O)[O-] ZINC001592866245 979711092 /nfs/dbraw/zinc/71/10/92/979711092.db2.gz JLCOJMXQAWACOL-QWHCGFSZSA-N -1 0 320.433 3.754 20 0 DHADRM CCCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000864117557 979711680 /nfs/dbraw/zinc/71/16/80/979711680.db2.gz NEOIGEGRQJKKCM-OAHLLOKOSA-N -1 0 317.410 3.599 20 0 DHADRM CSCCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000864124192 979723752 /nfs/dbraw/zinc/72/37/52/979723752.db2.gz KGMUIVSCJIIHSJ-UHFFFAOYSA-N -1 0 313.394 3.776 20 0 DHADRM CCO[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C1CCCC1 ZINC000864135374 979737533 /nfs/dbraw/zinc/73/75/33/979737533.db2.gz KSGSZFUQGFKRIT-MRXNPFEDSA-N -1 0 319.401 3.535 20 0 DHADRM C[C@H](Cc1ccc(NCc2ccc(O)c(F)c2F)cc1)C(=O)[O-] ZINC001592876828 979741908 /nfs/dbraw/zinc/74/19/08/979741908.db2.gz DDDYOBXSUUXXEH-SNVBAGLBSA-N -1 0 321.323 3.546 20 0 DHADRM C[C@H](Cc1ccc(NCc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC001592877311 979744167 /nfs/dbraw/zinc/74/41/67/979744167.db2.gz JMCJZKKDZGWVLX-LLVKDONJSA-N -1 0 305.324 3.840 20 0 DHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001592885077 979768659 /nfs/dbraw/zinc/76/86/59/979768659.db2.gz JAPAKPMDTAGAKZ-LLVKDONJSA-N -1 0 317.772 3.856 20 0 DHADRM C[C@H](Cc1ccccc1C(F)(F)F)Nc1cccc(C(=O)[O-])n1 ZINC001592892111 979788952 /nfs/dbraw/zinc/78/89/52/979788952.db2.gz VUMBBKLTQJNDQP-SNVBAGLBSA-N -1 0 324.302 3.842 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC[C@H]2CC=CCC2)c1 ZINC000864171733 979802448 /nfs/dbraw/zinc/80/24/48/979802448.db2.gz DZHSVJJAGYCQJG-NSHDSACASA-N -1 0 307.777 3.514 20 0 DHADRM CC(C)c1ccc(CCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864198462 979870103 /nfs/dbraw/zinc/87/01/03/979870103.db2.gz WYKZSEFSXNEWNS-IBGZPJMESA-N -1 0 317.429 3.502 20 0 DHADRM C/C(Cl)=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001592918264 979903579 /nfs/dbraw/zinc/90/35/79/979903579.db2.gz HGQHDNQWWIBWPX-MARXPDLDSA-N -1 0 323.820 3.759 20 0 DHADRM O=C([O-])c1cc(NC(=O)C2CCSCC2)cc2ccccc21 ZINC000864224428 979909191 /nfs/dbraw/zinc/90/91/91/979909191.db2.gz BKSMZDZLXZMNNY-UHFFFAOYSA-N -1 0 315.394 3.620 20 0 DHADRM O=C(Nc1ccc(C2CCC2)cn1)c1cc(O)ccc1Cl ZINC000294642543 1032097899 /nfs/dbraw/zinc/09/78/99/1032097899.db2.gz HYTGZXQSJQTFFD-UHFFFAOYSA-N -1 0 302.761 3.960 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC2CCCCC2)c1 ZINC000864228500 979920677 /nfs/dbraw/zinc/92/06/77/979920677.db2.gz NBDPQANPYNAQIZ-INIZCTEOSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2C)c1 ZINC000864229666 979925394 /nfs/dbraw/zinc/92/53/94/979925394.db2.gz WPDPAFBIBYQMQK-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC[C@@H]2CCOc3ccccc32)cc1 ZINC000864523407 979942508 /nfs/dbraw/zinc/94/25/08/979942508.db2.gz RPOLXRGKYNUYKW-JCGIZDLHSA-N -1 0 323.392 3.853 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595211110 979988381 /nfs/dbraw/zinc/98/83/81/979988381.db2.gz PBUWQGMBXFFQBA-MRXNPFEDSA-N -1 0 319.445 3.603 20 0 DHADRM Fc1cc(F)c(OCc2ccccc2)c([N-]c2nnco2)c1 ZINC001211509860 1014619604 /nfs/dbraw/zinc/61/96/04/1014619604.db2.gz ANSQHOFSOFVMFB-UHFFFAOYSA-N -1 0 303.268 3.670 20 0 DHADRM CC(F)(F)CCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592938759 980001966 /nfs/dbraw/zinc/00/19/66/980001966.db2.gz DSJZYMJKISSOAH-CYBMUJFWSA-N -1 0 312.312 3.741 20 0 DHADRM CC(F)(F)CCC(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001592939142 980004543 /nfs/dbraw/zinc/00/45/43/980004543.db2.gz OKYNOJZSPYTEIM-UHFFFAOYSA-N -1 0 306.692 3.517 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001592944850 980023584 /nfs/dbraw/zinc/02/35/84/980023584.db2.gz REZZBQQIMZRQAQ-UHFFFAOYSA-N -1 0 305.280 3.749 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001592944862 980024530 /nfs/dbraw/zinc/02/45/30/980024530.db2.gz RJYNGRUTUIQBJT-SOFGYWHQSA-N -1 0 321.279 3.741 20 0 DHADRM CCC(F)(F)c1ccccc1NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595226678 980077335 /nfs/dbraw/zinc/07/73/35/980077335.db2.gz VJRUKODLIHDJOK-MWLCHTKSSA-N -1 0 305.271 3.566 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C3CCCC3)cc2)nc1 ZINC001595236764 980138966 /nfs/dbraw/zinc/13/89/66/980138966.db2.gz HQMSDNVVDSYFEH-UHFFFAOYSA-N -1 0 310.353 3.690 20 0 DHADRM CC[C@](NC(=O)[C@H]1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237816 980150700 /nfs/dbraw/zinc/15/07/00/980150700.db2.gz WFJWYERCWMZHOA-CXAGYDPISA-N -1 0 323.820 3.582 20 0 DHADRM O=C([O-])c1cnc(N[C@@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000900989664 980258486 /nfs/dbraw/zinc/25/84/86/980258486.db2.gz BTZVXPPNTYDKRJ-CQSZACIVSA-N -1 0 317.776 3.782 20 0 DHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1csc(C)c1 ZINC001595264246 980270705 /nfs/dbraw/zinc/27/07/05/980270705.db2.gz ZIPZIUKVFVEXOA-LBPRGKRZSA-N -1 0 307.371 3.537 20 0 DHADRM CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1csc(C)c1 ZINC001595264999 980272824 /nfs/dbraw/zinc/27/28/24/980272824.db2.gz JBDROYGGRQJSOF-NSHDSACASA-N -1 0 307.371 3.537 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)C1CCCCC1 ZINC001595269111 980283182 /nfs/dbraw/zinc/28/31/82/980283182.db2.gz LJXFRERZOGADDD-MRXNPFEDSA-N -1 0 303.402 3.782 20 0 DHADRM CC[C@@H](N[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278740 980313658 /nfs/dbraw/zinc/31/36/58/980313658.db2.gz IFZWJHQGEBJLFV-WDEREUQCSA-N -1 0 308.403 3.853 20 0 DHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000581253405 1014652221 /nfs/dbraw/zinc/65/22/21/1014652221.db2.gz FFRZGCMXHZRWFR-RUXDESIVSA-N -1 0 321.442 3.693 20 0 DHADRM CC[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)s1 ZINC001595306037 980454222 /nfs/dbraw/zinc/45/42/22/980454222.db2.gz QULSSHAYRSLMCA-SSDOTTSWSA-N -1 0 316.835 3.797 20 0 DHADRM CCCCC[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000901725047 980466942 /nfs/dbraw/zinc/46/69/42/980466942.db2.gz DVPZSJDAYPYVRW-GFCCVEGCSA-N -1 0 324.471 3.995 20 0 DHADRM CC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(OC)cc1 ZINC001595317230 980490075 /nfs/dbraw/zinc/49/00/75/980490075.db2.gz OLFVMSJDYDYCCN-OAHLLOKOSA-N -1 0 300.358 3.660 20 0 DHADRM CC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(F)cc1F ZINC001595317205 980490181 /nfs/dbraw/zinc/49/01/81/980490181.db2.gz NQWSAACDTMEDQE-AWEZNQCLSA-N -1 0 306.312 3.930 20 0 DHADRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595323368 980522471 /nfs/dbraw/zinc/52/24/71/980522471.db2.gz UULJGURQJSETNZ-LBPRGKRZSA-N -1 0 305.765 3.700 20 0 DHADRM CC[C@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001595332082 980577885 /nfs/dbraw/zinc/57/78/85/980577885.db2.gz RCTGVGDXPATNJX-UFBFGSQYSA-N -1 0 302.729 3.584 20 0 DHADRM CC[C@@](NCc1ncc(C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874142 980588718 /nfs/dbraw/zinc/58/87/18/980588718.db2.gz VYVXAJNTENIOIF-HNNXBMFYSA-N -1 0 324.833 3.585 20 0 DHADRM CC[C@@H](OC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595336130 980591678 /nfs/dbraw/zinc/59/16/78/980591678.db2.gz HAIPEWKQPRIJQP-IDVQTMNDSA-N -1 0 316.275 3.515 20 0 DHADRM CC[C@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001595336964 980597327 /nfs/dbraw/zinc/59/73/27/980597327.db2.gz MMCLEEMNMXPVIW-HVHJFMEUSA-N -1 0 300.310 3.686 20 0 DHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595344586 980627759 /nfs/dbraw/zinc/62/77/59/980627759.db2.gz MHANOEGCBRXRPG-OAHLLOKOSA-N -1 0 316.353 3.891 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2nc(Cl)cs2)cc1 ZINC000901946276 980644547 /nfs/dbraw/zinc/64/45/47/980644547.db2.gz DSOOTDHLZSXLNI-WDEREUQCSA-N -1 0 308.790 3.597 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595348806 980649387 /nfs/dbraw/zinc/64/93/87/980649387.db2.gz NLDGTJRICZZUFY-OAHLLOKOSA-N -1 0 320.291 3.971 20 0 DHADRM CC[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)[C@H](C)C(=O)[O-] ZINC001595352128 980664965 /nfs/dbraw/zinc/66/49/65/980664965.db2.gz SLCZPETXCSRFRS-LKFCYVNXSA-N -1 0 321.760 3.544 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1Cc1cnc(C2CCCC2)s1 ZINC000902035108 980706701 /nfs/dbraw/zinc/70/67/01/980706701.db2.gz OBKCYFHOEGYILQ-CQSZACIVSA-N -1 0 308.447 3.630 20 0 DHADRM CCc1cnc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000902047581 980713017 /nfs/dbraw/zinc/71/30/17/980713017.db2.gz UBQUYSAAMYGCEU-HIFRSBDPSA-N -1 0 322.474 3.561 20 0 DHADRM CCc1oc(CNc2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000902096836 980732162 /nfs/dbraw/zinc/73/21/62/980732162.db2.gz KCFWYAYIXGVFTC-UHFFFAOYSA-N -1 0 303.358 3.940 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902101069 980734542 /nfs/dbraw/zinc/73/45/42/980734542.db2.gz ILDNPBBFUUFYCS-XJKCOSOUSA-N -1 0 318.417 3.582 20 0 DHADRM Cc1cc(CN[C@H]2CCSc3c(F)cccc32)oc1C(=O)[O-] ZINC000902130463 980748848 /nfs/dbraw/zinc/74/88/48/980748848.db2.gz LHRKJDDXGIEOIP-ZDUSSCGKSA-N -1 0 321.373 3.752 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCC(C)C ZINC001595361190 980760177 /nfs/dbraw/zinc/76/01/77/980760177.db2.gz DUSBQVAITYYSME-MRXNPFEDSA-N -1 0 305.418 3.877 20 0 DHADRM CCc1oc(CNc2ccc3cnn(CC)c3c2)cc1C(=O)[O-] ZINC000902180241 980771885 /nfs/dbraw/zinc/77/18/85/980771885.db2.gz OQPYXBTXBYMIFD-UHFFFAOYSA-N -1 0 313.357 3.522 20 0 DHADRM CC[C@H](c1ccccc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001595363331 980780834 /nfs/dbraw/zinc/78/08/34/980780834.db2.gz FIUPVJUCAPHOEN-CQSZACIVSA-N -1 0 324.423 3.512 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595363698 980785629 /nfs/dbraw/zinc/78/56/29/980785629.db2.gz IZTARJWHBVDWQW-BBWFWOEESA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1nnc(SCCCCC(=O)[O-])o1)c1ccccc1 ZINC001595363825 980786853 /nfs/dbraw/zinc/78/68/53/980786853.db2.gz JMXYIOFVDBEKPT-CYBMUJFWSA-N -1 0 320.414 3.959 20 0 DHADRM CCc1oc(CNCc2cc3cc(C)ccc3o2)cc1C(=O)[O-] ZINC000902258189 980803660 /nfs/dbraw/zinc/80/36/60/980803660.db2.gz GMVQJEZJPDCPMY-UHFFFAOYSA-N -1 0 313.353 3.885 20 0 DHADRM CCC1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001595368571 980828892 /nfs/dbraw/zinc/82/88/92/980828892.db2.gz KHDDBTZXTUNCAR-HNNXBMFYSA-N -1 0 302.370 3.886 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1O[C@H]1CCOC1 ZINC000902334757 980837250 /nfs/dbraw/zinc/83/72/50/980837250.db2.gz AGHVHQGJKGDHCE-KBPBESRZSA-N -1 0 321.417 3.546 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001595369350 980837928 /nfs/dbraw/zinc/83/79/28/980837928.db2.gz XPQZKHIDPNVGIC-SFHVURJKSA-N -1 0 318.417 3.748 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OCC(F)F)cc1 ZINC000902340234 980839902 /nfs/dbraw/zinc/83/99/02/980839902.db2.gz DWTYLEMZYWWAOZ-GYSYKLTISA-N -1 0 313.344 3.632 20 0 DHADRM CC(C)(NCc1ccc(C(=O)[O-])o1)c1nc2ccccc2s1 ZINC000902357867 980851212 /nfs/dbraw/zinc/85/12/12/980851212.db2.gz CEQWGRGNJNKCIG-UHFFFAOYSA-N -1 0 316.382 3.612 20 0 DHADRM O=C([O-])c1occc1CNC1(c2ccccc2Cl)CCC1 ZINC000902374254 980860455 /nfs/dbraw/zinc/86/04/55/980860455.db2.gz ZLQVMAOMOYVFGW-UHFFFAOYSA-N -1 0 305.761 3.800 20 0 DHADRM O=C([O-])c1cc(CNc2cccc(C3CCOCC3)c2)cs1 ZINC000902395542 980868769 /nfs/dbraw/zinc/86/87/69/980868769.db2.gz DAISDOMPYDWFJS-UHFFFAOYSA-N -1 0 317.410 3.952 20 0 DHADRM CCC1(CC)[C@H](Nc2cccc([C@H](C)C(=O)[O-])c2)C[C@H]1OC ZINC001595374034 980879396 /nfs/dbraw/zinc/87/93/96/980879396.db2.gz SXNSOWZAEPWHMS-APHBMKBZSA-N -1 0 305.418 3.880 20 0 DHADRM CCC1(CC)[C@H](Nc2cccc([C@H](C)C(=O)[O-])c2)C[C@@H]1OC ZINC001595374036 980879420 /nfs/dbraw/zinc/87/94/20/980879420.db2.gz SXNSOWZAEPWHMS-MAZHCROVSA-N -1 0 305.418 3.880 20 0 DHADRM CCC1(CC)CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001595374560 980885167 /nfs/dbraw/zinc/88/51/67/980885167.db2.gz HXICJFPZDFZHFV-CLFYSBASSA-N -1 0 319.401 3.810 20 0 DHADRM CCC1(CC)CN(C(=O)C[C@@H](C)CC(=O)[O-])c2ccccc21 ZINC001595375570 980896829 /nfs/dbraw/zinc/89/68/29/980896829.db2.gz RHZJIIIPWNRWQG-CYBMUJFWSA-N -1 0 303.402 3.592 20 0 DHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC001595376999 980910044 /nfs/dbraw/zinc/91/00/44/980910044.db2.gz WJNWZJUOIDEVFE-DNVCBOLYSA-N -1 0 317.429 3.501 20 0 DHADRM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(/C=C/C(=O)[O-])o2)s1 ZINC000902516783 980916269 /nfs/dbraw/zinc/91/62/69/980916269.db2.gz LFOMWZVBGYQCTB-AEZGRPFRSA-N -1 0 320.414 3.644 20 0 DHADRM CSc1ccc(N[C@H](C)C2CC(F)(F)C2)cc1C(=O)[O-] ZINC000902569750 980938065 /nfs/dbraw/zinc/93/80/65/980938065.db2.gz HNTPRHOSRNFZON-MRVPVSSYSA-N -1 0 301.358 3.952 20 0 DHADRM CC[C@@H]1C[C@H](CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCO1 ZINC001595412050 981008993 /nfs/dbraw/zinc/00/89/93/981008993.db2.gz AJUBDUVLEBFSFH-WOSRLPQWSA-N -1 0 320.385 3.584 20 0 DHADRM CC[C@@H]1C[C@@H](CNc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC001595414061 981019557 /nfs/dbraw/zinc/01/95/57/981019557.db2.gz XMQWYMBHHKCSKX-WCQYABFASA-N -1 0 309.431 3.724 20 0 DHADRM C[C@@H](c1ccccc1Cl)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903887531 981021573 /nfs/dbraw/zinc/02/15/73/981021573.db2.gz USKAAXOBBPZKMV-NSHDSACASA-N -1 0 304.777 3.626 20 0 DHADRM CCC1CCC(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC001595415491 981028373 /nfs/dbraw/zinc/02/83/73/981028373.db2.gz DGOCBZSNETVZBO-UHFFFAOYSA-N -1 0 303.402 3.639 20 0 DHADRM CCC1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC001595420280 981034251 /nfs/dbraw/zinc/03/42/51/981034251.db2.gz AXZJTYBAJZLVKW-UHFFFAOYSA-N -1 0 321.461 3.839 20 0 DHADRM CCC1CCC(NC(=O)/C=C/C2CCCCC2)(C(=O)[O-])CC1 ZINC001595420877 981039080 /nfs/dbraw/zinc/03/90/80/981039080.db2.gz OAEHQSYTSNUFLQ-CMDGGOBGSA-N -1 0 307.434 3.663 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001595435002 981061384 /nfs/dbraw/zinc/06/13/84/981061384.db2.gz DQRQSUUTRFAMLB-CZUORRHYSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595435733 981066184 /nfs/dbraw/zinc/06/61/84/981066184.db2.gz MBILROUCWNRDJN-ZYHUDNBSSA-N -1 0 300.358 3.631 20 0 DHADRM CC[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595439642 981074845 /nfs/dbraw/zinc/07/48/45/981074845.db2.gz FJDYRXNNRZVIHI-GZMMTYOYSA-N -1 0 302.296 3.789 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001595439669 981075421 /nfs/dbraw/zinc/07/54/21/981075421.db2.gz FNSJIEAZWYDFTA-YCPHGPKFSA-N -1 0 315.413 3.808 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595441051 981078333 /nfs/dbraw/zinc/07/83/33/981078333.db2.gz MTPLGDSFGDPTCN-CMPLNLGQSA-N -1 0 322.430 3.553 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595441074 981078473 /nfs/dbraw/zinc/07/84/73/981078473.db2.gz MYCTWIXJMORSQV-GXTWGEPZSA-N -1 0 319.401 3.573 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001595441226 981078978 /nfs/dbraw/zinc/07/89/78/981078978.db2.gz OTCYPHFKHQWXAV-HOCLYGCPSA-N -1 0 317.429 3.650 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000905115367 981088562 /nfs/dbraw/zinc/08/85/62/981088562.db2.gz KOXISVASXGZUAL-NEPJUHHUSA-N -1 0 309.793 3.786 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595445151 981092114 /nfs/dbraw/zinc/09/21/14/981092114.db2.gz WRYYHJSQLMVSID-OCCSQVGLSA-N -1 0 319.405 3.521 20 0 DHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595452297 981113475 /nfs/dbraw/zinc/11/34/75/981113475.db2.gz HNYGEGTYDJSXKS-MNOVXSKESA-N -1 0 324.808 3.986 20 0 DHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595457272 981128789 /nfs/dbraw/zinc/12/87/89/981128789.db2.gz UFSXNXXBTHEJJH-YGRLFVJLSA-N -1 0 315.373 3.566 20 0 DHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595457904 981129037 /nfs/dbraw/zinc/12/90/37/981129037.db2.gz UXMCICQCJMGCAA-MSQAHXEGSA-N -1 0 316.401 3.575 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595457902 981129063 /nfs/dbraw/zinc/12/90/63/981129063.db2.gz UXMCICQCJMGCAA-DANNLKNASA-N -1 0 316.401 3.575 20 0 DHADRM CC[C@H]1CCN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001595460127 981142644 /nfs/dbraw/zinc/14/26/44/981142644.db2.gz RFGOMLRAFAAPJA-JTQLQIEISA-N -1 0 318.398 3.863 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(-c2ccon2)cc1 ZINC000905771743 981147671 /nfs/dbraw/zinc/14/76/71/981147671.db2.gz WZIHGETXIGDJEG-UXIGCNINSA-N -1 0 300.358 3.643 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000907680939 981207048 /nfs/dbraw/zinc/20/70/48/981207048.db2.gz DQEGLLBRXSLTJI-SHPPOPEUSA-N -1 0 301.386 3.640 20 0 DHADRM CC[C@H]1CN(c2cccc(C(=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC001595492626 981254537 /nfs/dbraw/zinc/25/45/37/981254537.db2.gz RPUOABSEDCQLSW-HOCLYGCPSA-N -1 0 310.397 3.800 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000908064516 981258902 /nfs/dbraw/zinc/25/89/02/981258902.db2.gz DKCUBJGRLXQLSU-UHFFFAOYSA-N -1 0 313.353 3.613 20 0 DHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656486448 1014719355 /nfs/dbraw/zinc/71/93/55/1014719355.db2.gz ZMZUDSKOCOFYCK-DLBZAZTESA-N -1 0 311.381 3.642 20 0 DHADRM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595500356 981272000 /nfs/dbraw/zinc/27/20/00/981272000.db2.gz XWYRMWGDIFMJCX-KRWDZBQOSA-N -1 0 323.392 3.670 20 0 DHADRM CC[C@H]1c2ccccc2CCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595505147 981281327 /nfs/dbraw/zinc/28/13/27/981281327.db2.gz YOPWJNBTVPKBRR-RISCZKNCSA-N -1 0 316.426 3.912 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502480 981319326 /nfs/dbraw/zinc/31/93/26/981319326.db2.gz ZHNVABRBGHPULF-NEPJUHHUSA-N -1 0 305.374 3.548 20 0 DHADRM COc1c(NC(=O)CC2CCCCCC2)cccc1C(=O)[O-] ZINC000908508347 981320173 /nfs/dbraw/zinc/32/01/73/981320173.db2.gz RYSOFKNNNDOZBK-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CCCC(=CC(=O)N(CCc1ccccc1)CC(=O)[O-])CCC ZINC001595520320 981335805 /nfs/dbraw/zinc/33/58/05/981335805.db2.gz DZWRCPXDOQONLG-UHFFFAOYSA-N -1 0 317.429 3.669 20 0 DHADRM CCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908696898 981340222 /nfs/dbraw/zinc/34/02/22/981340222.db2.gz QGSNDSOQPMWBND-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM CCCC(C)(C)CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595538155 981390399 /nfs/dbraw/zinc/39/03/99/981390399.db2.gz GKJTYCQUBQLMNS-CJNGLKHVSA-N -1 0 305.418 3.781 20 0 DHADRM CCCC(C)(C)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001595538472 981392146 /nfs/dbraw/zinc/39/21/46/981392146.db2.gz LWZPSUDOGBHCBO-CQSZACIVSA-N -1 0 303.402 3.808 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC)C(C)C ZINC001595538611 981393586 /nfs/dbraw/zinc/39/35/86/981393586.db2.gz WDTGQHXWIGTXGI-CYBMUJFWSA-N -1 0 307.390 3.794 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)CC(F)(F)F ZINC000909106949 981418248 /nfs/dbraw/zinc/41/82/48/981418248.db2.gz DUJCZOXCMBUSAB-UHFFFAOYSA-N -1 0 321.270 3.831 20 0 DHADRM CCC[C@@](C)(NC(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001595553612 981430936 /nfs/dbraw/zinc/43/09/36/981430936.db2.gz LCPNOWVTWMYAMR-GOSISDBHSA-N -1 0 315.369 3.732 20 0 DHADRM CC1(C)CC(C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000909215312 981434961 /nfs/dbraw/zinc/43/49/61/981434961.db2.gz HUKJDOVQMDARKS-UHFFFAOYSA-N -1 0 317.410 3.652 20 0 DHADRM CCC/C(C)=C/C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595565877 981457541 /nfs/dbraw/zinc/45/75/41/981457541.db2.gz LFLUSQLTMQYRDE-VAWYXSNFSA-N -1 0 301.386 3.719 20 0 DHADRM CCC/C(C)=C/C(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595566065 981459050 /nfs/dbraw/zinc/45/90/50/981459050.db2.gz NMVAKGPHHSYHOU-GRNBYLDVSA-N -1 0 303.402 3.797 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(C3CC3)nc2C)cc1C(=O)[O-] ZINC000909294698 981462233 /nfs/dbraw/zinc/46/22/33/981462233.db2.gz LFDDNCKDMDSHRW-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM CCC[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595570853 981476117 /nfs/dbraw/zinc/47/61/17/981476117.db2.gz JQPJVWGDMXBSOI-LLVKDONJSA-N -1 0 300.358 3.698 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909480990 981505490 /nfs/dbraw/zinc/50/54/90/981505490.db2.gz FCHKTPBMWNCDRS-MLRPBERTSA-N -1 0 315.413 3.502 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C2CC2)nc1C ZINC000909512784 981519922 /nfs/dbraw/zinc/51/99/22/981519922.db2.gz JMIOVVWFLCDLST-UHFFFAOYSA-N -1 0 324.380 3.835 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COC1CCC(C)CC1 ZINC000909514516 981521489 /nfs/dbraw/zinc/52/14/89/981521489.db2.gz FTFINSORGKMGKY-UHFFFAOYSA-N -1 0 319.401 3.535 20 0 DHADRM CCCC(CCC)S[C@@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC001595586941 981537391 /nfs/dbraw/zinc/53/73/91/981537391.db2.gz VVCRTCLTHODAKD-HNNXBMFYSA-N -1 0 323.458 3.572 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001595587441 981541816 /nfs/dbraw/zinc/54/18/16/981541816.db2.gz MRHJCFWMIVYVRH-AWEZNQCLSA-N -1 0 319.401 3.820 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595587446 981541863 /nfs/dbraw/zinc/54/18/63/981541863.db2.gz MUBHNXLKMPTJAJ-INIZCTEOSA-N -1 0 317.429 3.998 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000909560950 981542747 /nfs/dbraw/zinc/54/27/47/981542747.db2.gz UJIQWRPHDQFQLE-GIBSZGAASA-N -1 0 321.442 3.643 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000909560951 981542921 /nfs/dbraw/zinc/54/29/21/981542921.db2.gz UJIQWRPHDQFQLE-OZMYFSDFSA-N -1 0 321.442 3.643 20 0 DHADRM CCC[C@@H](CC)SCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595587819 981544170 /nfs/dbraw/zinc/54/41/70/981544170.db2.gz WKMATHPJGKVJMN-CYBMUJFWSA-N -1 0 309.431 3.944 20 0 DHADRM C[C@@H](CCC(C)(C)C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909725252 981580541 /nfs/dbraw/zinc/58/05/41/981580541.db2.gz XVUDRJGYUSLLDB-TZYSRNFLSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001594740676 981603680 /nfs/dbraw/zinc/60/36/80/981603680.db2.gz DZBILUZSEKRQGD-PSASIEDQSA-N -1 0 318.200 3.624 20 0 DHADRM CCC[C@H](O)CCCSCc1cc(C(=O)[O-])ccc1OC ZINC001595608260 981610586 /nfs/dbraw/zinc/61/05/86/981610586.db2.gz JMWOWLMRRVYLPJ-AWEZNQCLSA-N -1 0 312.431 3.568 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@]1(CC)CCc1ccccc1 ZINC001594742399 981617329 /nfs/dbraw/zinc/61/73/29/981617329.db2.gz BIINARXYKCKZKO-APWZRJJASA-N -1 0 317.429 3.501 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000909806275 981634194 /nfs/dbraw/zinc/63/41/94/981634194.db2.gz NDJCFYRHZUNMNB-GDBMZVCRSA-N -1 0 323.392 3.597 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001594747874 981640870 /nfs/dbraw/zinc/64/08/70/981640870.db2.gz MABIAAGBFIUFFR-JKSUJKDBSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909831777 981649571 /nfs/dbraw/zinc/64/95/71/981649571.db2.gz ALNZGCCUCDBEAJ-KBPBESRZSA-N -1 0 311.381 3.925 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909832401 981649652 /nfs/dbraw/zinc/64/96/52/981649652.db2.gz SOGXEYAGGLONAV-KBPBESRZSA-N -1 0 311.381 3.925 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001594760133 981690189 /nfs/dbraw/zinc/69/01/89/981690189.db2.gz VVIMNTYIDOSMRW-JTQLQIEISA-N -1 0 313.394 3.766 20 0 DHADRM CCCC1CCC(N(C)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1 ZINC001595620604 981691699 /nfs/dbraw/zinc/69/16/99/981691699.db2.gz MXGLVBDBRKWGCD-UHFFFAOYSA-N -1 0 321.421 3.844 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595621271 981698145 /nfs/dbraw/zinc/69/81/45/981698145.db2.gz FVACMXSCTNIATE-JWMHWRSXSA-N -1 0 324.465 3.536 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595621656 981702368 /nfs/dbraw/zinc/70/23/68/981702368.db2.gz MIJITNYMWLDJPJ-JSGCOSHPSA-N -1 0 321.392 3.860 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595621974 981705066 /nfs/dbraw/zinc/70/50/66/981705066.db2.gz QVHMCMSAFDTTRR-GXTWGEPZSA-N -1 0 319.401 3.938 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@@H](C)C1 ZINC000909943896 981705793 /nfs/dbraw/zinc/70/57/93/981705793.db2.gz RSRCGVUZBROUQI-TUSCOEQASA-N -1 0 321.461 3.600 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595622111 981706540 /nfs/dbraw/zinc/70/65/40/981706540.db2.gz QVHMCMSAFDTTRR-OCCSQVGLSA-N -1 0 319.401 3.938 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 ZINC001594767476 981725702 /nfs/dbraw/zinc/72/57/02/981725702.db2.gz GZJXRSHMAAVOFN-JYYAWHABSA-N -1 0 317.429 3.955 20 0 DHADRM CC[C@H](C(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001594773911 981749582 /nfs/dbraw/zinc/74/95/82/981749582.db2.gz DCTKIDJHQCTJIR-CFVMTHIKSA-N -1 0 308.349 3.506 20 0 DHADRM CC[C@H](C(=O)OCc1cc(C(=O)[O-])oc1C)c1ccc(F)cc1 ZINC001594776547 981768477 /nfs/dbraw/zinc/76/84/77/981768477.db2.gz ZJIBLQASGDPZJH-AWEZNQCLSA-N -1 0 320.316 3.662 20 0 DHADRM CCCC[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C(C)C ZINC001595627642 981774929 /nfs/dbraw/zinc/77/49/29/981774929.db2.gz NVEVIOAYKBCZSV-HOTGVXAUSA-N -1 0 311.466 3.846 20 0 DHADRM CCCC[C@](C)(F)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595630666 981824800 /nfs/dbraw/zinc/82/48/00/981824800.db2.gz NLYCLELMJSMRDM-HNNXBMFYSA-N -1 0 318.291 3.625 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595631392 981837673 /nfs/dbraw/zinc/83/76/73/981837673.db2.gz ODDQRAJPXDRBGH-ZDUSSCGKSA-N -1 0 318.417 3.750 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595631500 981840069 /nfs/dbraw/zinc/84/00/69/981840069.db2.gz RYUBZYKZNZGZRZ-MRVPVSSYSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595631600 981841642 /nfs/dbraw/zinc/84/16/42/981841642.db2.gz WGDWDTSQONXGFS-ZFWWWQNUSA-N -1 0 305.418 3.781 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C2CC2)cc1 ZINC001594791475 981851477 /nfs/dbraw/zinc/85/14/77/981851477.db2.gz JOXYPRWFLLATTA-IBGZPJMESA-N -1 0 315.413 3.670 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001595632482 981855298 /nfs/dbraw/zinc/85/52/98/981855298.db2.gz ZHKIWKKIEDZRAO-KSSFIOAISA-N -1 0 305.418 3.709 20 0 DHADRM CCCC[C@H](CC)C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001595632488 981855846 /nfs/dbraw/zinc/85/58/46/981855846.db2.gz ZTOOWQWPHXFWNW-GRDNDAEWSA-N -1 0 317.429 3.881 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2ccccc2o1 ZINC001594792262 981860718 /nfs/dbraw/zinc/86/07/18/981860718.db2.gz NCGZHSNZZMBANF-SFHVURJKSA-N -1 0 315.369 3.538 20 0 DHADRM CCCC[C@H](CC)CC(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595632963 981863562 /nfs/dbraw/zinc/86/35/62/981863562.db2.gz XWDZGUFWBJHDTN-LBPRGKRZSA-N -1 0 310.365 3.965 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594794457 981871891 /nfs/dbraw/zinc/87/18/91/981871891.db2.gz LMBPJQXVBVQJCD-GFCCVEGCSA-N -1 0 320.433 3.995 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](C)/C=C\C(=O)[O-])CC1 ZINC001594796492 981876468 /nfs/dbraw/zinc/87/64/68/981876468.db2.gz AZTUNYIFGHIQRG-UFKKBWARSA-N -1 0 321.461 3.765 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001594796487 981876717 /nfs/dbraw/zinc/87/67/17/981876717.db2.gz AVJBPLJXKNZEOW-YYHKSVKZSA-N -1 0 323.477 3.845 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001594796631 981878811 /nfs/dbraw/zinc/87/88/11/981878811.db2.gz HACAMLIBUUCXJG-NRXISQOPSA-N -1 0 324.465 3.630 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001594797315 981886201 /nfs/dbraw/zinc/88/62/01/981886201.db2.gz YHHPZTPSTHOZAS-UHFFFAOYSA-N -1 0 307.390 3.703 20 0 DHADRM CCCC[C@@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001595637570 981932888 /nfs/dbraw/zinc/93/28/88/981932888.db2.gz LXJWOZCHVONHGW-OAHLLOKOSA-N -1 0 317.385 3.929 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccsc1 ZINC000910621839 982029638 /nfs/dbraw/zinc/02/96/38/982029638.db2.gz MKKQPMWHUIBCAX-SNVBAGLBSA-N -1 0 319.382 3.587 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccoc1C1CC1 ZINC000910624982 982033925 /nfs/dbraw/zinc/03/39/25/982033925.db2.gz ZKVCDRPAADCIMF-UHFFFAOYSA-N -1 0 315.325 3.506 20 0 DHADRM CCCC[C@@H](OC(=O)c1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC001595652556 982035492 /nfs/dbraw/zinc/03/54/92/982035492.db2.gz VKENADZTQAKDPS-SNVBAGLBSA-N -1 0 323.370 3.512 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@](C)(CC)C(=O)[O-])CC1 ZINC001594836121 982036966 /nfs/dbraw/zinc/03/69/66/982036966.db2.gz QXUOPANDDCPCGG-RUAQEJLXSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@@H](SCC(=O)N(C(C)C)C1CCCC1)C(=O)[O-] ZINC001595655455 982045661 /nfs/dbraw/zinc/04/56/61/982045661.db2.gz LNTIGPQXAVEXHY-CQSZACIVSA-N -1 0 315.479 3.543 20 0 DHADRM CCCC[C@@H](SCc1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC001595655776 982048309 /nfs/dbraw/zinc/04/83/09/982048309.db2.gz PEKRMVORQAOGFI-GFCCVEGCSA-N -1 0 316.806 3.945 20 0 DHADRM CCCC[C@@H](SCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC001595656775 982056389 /nfs/dbraw/zinc/05/63/89/982056389.db2.gz AIZLGZYMPKLEMX-SNVBAGLBSA-N -1 0 312.416 3.675 20 0 DHADRM Cc1ccnc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000910683770 982061116 /nfs/dbraw/zinc/06/11/16/982061116.db2.gz URBJXXSOOVECGY-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM CC[C@](C)(NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001594843025 982066608 /nfs/dbraw/zinc/06/66/08/982066608.db2.gz WRYJELGIGVXZCW-SFHVURJKSA-N -1 0 315.344 3.579 20 0 DHADRM CC(C)c1sc(NC(=O)C2=CCCCCC2)nc1C(=O)[O-] ZINC000910704173 982073425 /nfs/dbraw/zinc/07/34/25/982073425.db2.gz XFGUHFVIZDPROW-UHFFFAOYSA-N -1 0 308.403 3.794 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910705527 982074531 /nfs/dbraw/zinc/07/45/31/982074531.db2.gz IFUSPJKAXLXTMF-CLFYSBASSA-N -1 0 320.370 3.600 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001595661464 982075819 /nfs/dbraw/zinc/07/58/19/982075819.db2.gz UQPQUKORSGHVMK-FCJNSDPXSA-N -1 0 321.461 3.839 20 0 DHADRM CCCCC[C@@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C(C)C ZINC001595662368 982079395 /nfs/dbraw/zinc/07/93/95/982079395.db2.gz BEZBLLVVHQQZPB-RKVPGOIHSA-N -1 0 309.450 3.695 20 0 DHADRM CCCCC[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)C(C)C ZINC001595662648 982080343 /nfs/dbraw/zinc/08/03/43/982080343.db2.gz HVVJVTDFBJHBQR-QGZVFWFLSA-N -1 0 319.445 3.896 20 0 DHADRM CCC[C@H](CC)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910721722 982084373 /nfs/dbraw/zinc/08/43/73/982084373.db2.gz WOLUZLYGAWZCER-NWDGAFQWSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001595666239 982097818 /nfs/dbraw/zinc/09/78/18/982097818.db2.gz GNGQPGFCNHFWDN-QFBILLFUSA-N -1 0 319.445 3.968 20 0 DHADRM CCc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910735468 982097858 /nfs/dbraw/zinc/09/78/58/982097858.db2.gz SKXLPBUNUGRXSK-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595668591 982111360 /nfs/dbraw/zinc/11/13/60/982111360.db2.gz BQMZQOJFXJXUAI-CYBMUJFWSA-N -1 0 303.402 3.880 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595668943 982112185 /nfs/dbraw/zinc/11/21/85/982112185.db2.gz FACPYYMDIUGFCI-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001595669259 982113200 /nfs/dbraw/zinc/11/32/00/982113200.db2.gz GWVTYRZPYXPFJZ-SWLSCSKDSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCC[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001595671929 982127518 /nfs/dbraw/zinc/12/75/18/982127518.db2.gz JFNYPKHPENIDKT-RDJZCZTQSA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@H](NC(=O)NCCCCC(=O)[O-])C(C)(C)C ZINC001595671984 982128483 /nfs/dbraw/zinc/12/84/83/982128483.db2.gz AMFWKHVJAANFDA-ZDUSSCGKSA-N -1 0 300.443 3.536 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001595672236 982131291 /nfs/dbraw/zinc/13/12/91/982131291.db2.gz NPEMMUMMWBESDQ-YOEHRIQHSA-N -1 0 319.445 3.892 20 0 DHADRM CC/C(C)=C\C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594861034 982143559 /nfs/dbraw/zinc/14/35/59/982143559.db2.gz VKJMOGUHFVKIRV-SNGWPZLWSA-N -1 0 309.793 3.502 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc(C2CC2)n1 ZINC000910960022 982178786 /nfs/dbraw/zinc/17/87/86/982178786.db2.gz IPDDFVIOYFULJN-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CC)OC1CCCC1 ZINC000910961123 982178955 /nfs/dbraw/zinc/17/89/55/982178955.db2.gz RYKSEHHNRHQLJJ-MRXNPFEDSA-N -1 0 319.401 3.624 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595694440 982211368 /nfs/dbraw/zinc/21/13/68/982211368.db2.gz AIANBUIRIGYIOS-LLVKDONJSA-N -1 0 312.435 3.705 20 0 DHADRM CCCCCC[C@@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595694980 982216362 /nfs/dbraw/zinc/21/63/62/982216362.db2.gz MMIBPWHIYLDYPB-CJNGLKHVSA-N -1 0 323.408 3.717 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595695161 982216940 /nfs/dbraw/zinc/21/69/40/982216940.db2.gz PSWKTRJYAVGYAV-LLVKDONJSA-N -1 0 317.389 3.806 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595695150 982216983 /nfs/dbraw/zinc/21/69/83/982216983.db2.gz PMLOEGQGOSGYAS-CJNGLKHVSA-N -1 0 321.417 3.544 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595695336 982217819 /nfs/dbraw/zinc/21/78/19/982217819.db2.gz SRTRMMKYHKFLNN-LCEIHVTHSA-N -1 0 323.477 3.989 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001595695379 982218529 /nfs/dbraw/zinc/21/85/29/982218529.db2.gz URRHQRHDEZCECT-LLVKDONJSA-N -1 0 312.435 3.801 20 0 DHADRM CCCCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595695583 982219498 /nfs/dbraw/zinc/21/94/98/982219498.db2.gz YEWGZQBTKWGOBC-MRXNPFEDSA-N -1 0 305.418 3.925 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001594877955 982221279 /nfs/dbraw/zinc/22/12/79/982221279.db2.gz SGZVQPAGMDJYCV-WQGACYEGSA-N -1 0 324.490 3.589 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001594881271 982237418 /nfs/dbraw/zinc/23/74/18/982237418.db2.gz OESLQZFXDCVAPB-SCZZXKLOSA-N -1 0 320.414 3.924 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595698792 982253784 /nfs/dbraw/zinc/25/37/84/982253784.db2.gz VBSNCEBFCREFOD-RKVPGOIHSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCCC[C@H](O)CCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595703506 982269350 /nfs/dbraw/zinc/26/93/50/982269350.db2.gz UDSKFEDSYMPDNL-HNNXBMFYSA-N -1 0 321.417 3.743 20 0 DHADRM CCCCCC[C@@H]1CCC[C@@H]1Nc1cnn(CC(=O)[O-])c1C ZINC001595703520 982269442 /nfs/dbraw/zinc/26/94/42/982269442.db2.gz UGIZUFPXNQCKEI-CABCVRRESA-N -1 0 307.438 3.827 20 0 DHADRM CCCCCCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595712136 982303725 /nfs/dbraw/zinc/30/37/25/982303725.db2.gz IBFRYEPRZXTBIE-UHFFFAOYSA-N -1 0 310.419 3.809 20 0 DHADRM CCCCCc1nnc(NCc2ccc(C(=O)[O-])cc2)s1 ZINC001595727296 982350678 /nfs/dbraw/zinc/35/06/78/982350678.db2.gz FHDAKIJLJPWPDB-UHFFFAOYSA-N -1 0 305.403 3.581 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCC[C@@H](C)C1 ZINC001595732201 982367951 /nfs/dbraw/zinc/36/79/51/982367951.db2.gz SJORVRTVGCTTJF-HIFRSBDPSA-N -1 0 318.417 3.601 20 0 DHADRM CCCCN(CCCC)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595745117 982411582 /nfs/dbraw/zinc/41/15/82/982411582.db2.gz VFEGQUBKCKJQFS-UHFFFAOYSA-N -1 0 309.450 3.840 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911453093 982437899 /nfs/dbraw/zinc/43/78/99/982437899.db2.gz ZOBLBEZSSTXBHN-DOMZBBRYSA-N -1 0 323.820 3.895 20 0 DHADRM CCCCNc1nnc(S[C@@H](CC(C)(C)C)C(=O)[O-])s1 ZINC001595763358 982470820 /nfs/dbraw/zinc/47/08/20/982470820.db2.gz IOLSHNLXQHCWQC-VIFPVBQESA-N -1 0 317.480 3.732 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC001594929064 982545289 /nfs/dbraw/zinc/54/52/89/982545289.db2.gz QMCXDQIXKDMPFO-PWSUYJOCSA-N -1 0 306.387 3.636 20 0 DHADRM CCCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cn1 ZINC001595780495 982548846 /nfs/dbraw/zinc/54/88/46/982548846.db2.gz CKXWYMTVORAPJD-UMVBOHGHSA-N -1 0 306.406 3.562 20 0 DHADRM CCCCc1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001595794033 982597980 /nfs/dbraw/zinc/59/79/80/982597980.db2.gz WKPISIAYWGHAMG-UHFFFAOYSA-N -1 0 312.369 3.683 20 0 DHADRM CCCCc1ccc(NC(=S)NC2CC(CC(=O)[O-])C2)cc1 ZINC001595796141 982600473 /nfs/dbraw/zinc/60/04/73/982600473.db2.gz HRYHCWBSDRXGHS-UHFFFAOYSA-N -1 0 320.458 3.569 20 0 DHADRM CC(C)Oc1c(NC(=O)CCC2CCC2)cccc1C(=O)[O-] ZINC000911737409 982620005 /nfs/dbraw/zinc/62/00/05/982620005.db2.gz BOCLGGCEDHQDPF-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM CCCCn1nc(C)c(CNc2ccc(C(=O)[O-])cc2)c1Cl ZINC001595809226 982638143 /nfs/dbraw/zinc/63/81/43/982638143.db2.gz GJVNFBQZBROFEI-UHFFFAOYSA-N -1 0 321.808 3.955 20 0 DHADRM CCCCn1ncc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC001595809667 982639062 /nfs/dbraw/zinc/63/90/62/982639062.db2.gz ATCASWMHOUOFJT-HNNXBMFYSA-N -1 0 321.808 3.883 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC000914729162 982654347 /nfs/dbraw/zinc/65/43/47/982654347.db2.gz JFCUPYUEAAUFKK-TZMCWYRMSA-N -1 0 305.349 3.701 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC000914729161 982654590 /nfs/dbraw/zinc/65/45/90/982654590.db2.gz JFCUPYUEAAUFKK-OCCSQVGLSA-N -1 0 305.349 3.701 20 0 DHADRM CCCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)[C@H](C)C(=O)[O-] ZINC001595813493 982655835 /nfs/dbraw/zinc/65/58/35/982655835.db2.gz JSMTWNKBGWSHMP-HUUCEWRRSA-N -1 0 319.445 3.700 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001594950258 982658824 /nfs/dbraw/zinc/65/88/24/982658824.db2.gz WLTXJCNFRGEMRV-TVQRCGJNSA-N -1 0 323.776 3.705 20 0 DHADRM CC[C@H](C)C[C@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594952798 982673835 /nfs/dbraw/zinc/67/38/35/982673835.db2.gz MTKCLJXEWKUSIV-ZANVPECISA-N -1 0 307.781 3.585 20 0 DHADRM CCCN(C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)[C@@H](C)C(=O)[O-] ZINC001595816590 982674094 /nfs/dbraw/zinc/67/40/94/982674094.db2.gz JAIVYLZKBXJUMY-PPOJXHOTSA-N -1 0 309.450 3.717 20 0 DHADRM CC[C@@H](C)C[C@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001594953708 982681549 /nfs/dbraw/zinc/68/15/49/982681549.db2.gz UYMNFBGPSDCQPH-KCJUWKMLSA-N -1 0 307.419 3.609 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594956895 982691054 /nfs/dbraw/zinc/69/10/54/982691054.db2.gz IDJCEPAHNAGLAR-LLVKDONJSA-N -1 0 300.358 3.698 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001594958162 982695739 /nfs/dbraw/zinc/69/57/39/982695739.db2.gz RYRJPLRHMGYPJB-CYBMUJFWSA-N -1 0 307.390 3.695 20 0 DHADRM CC[C@H](C)CCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001594958529 982698300 /nfs/dbraw/zinc/69/83/00/982698300.db2.gz VTLXNIODZXWSEK-UPZNUWHASA-N -1 0 306.358 3.525 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001594959095 982703491 /nfs/dbraw/zinc/70/34/91/982703491.db2.gz KWOUAPWUUZINME-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CC[C@H](C)CCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594959436 982707190 /nfs/dbraw/zinc/70/71/90/982707190.db2.gz UGJNGCXQIDOSJJ-BBRMVZONSA-N -1 0 323.408 3.717 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1cccc(C2CC2)c1 ZINC000923093062 982718241 /nfs/dbraw/zinc/71/82/41/982718241.db2.gz QITXWTMHWIBIDQ-UHFFFAOYSA-N -1 0 315.394 3.813 20 0 DHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccc(CC)cc1 ZINC001595830658 982718522 /nfs/dbraw/zinc/71/85/22/982718522.db2.gz BGCLYIKSRJAQFP-UHFFFAOYSA-N -1 0 315.369 3.905 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])sc2C)s1 ZINC000923094640 982719673 /nfs/dbraw/zinc/71/96/73/982719673.db2.gz KJTMALYFWHDDTL-UHFFFAOYSA-N -1 0 309.412 3.696 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCc1ccc(F)cc1 ZINC000923094725 982719836 /nfs/dbraw/zinc/71/98/36/982719836.db2.gz NKACHQULASBAJL-UHFFFAOYSA-N -1 0 321.373 3.855 20 0 DHADRM CCCCC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000923102142 982725393 /nfs/dbraw/zinc/72/53/93/982725393.db2.gz DOVVSKISWANXHK-LSDHHAIUSA-N -1 0 301.386 3.784 20 0 DHADRM Cc1cccc2cc(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)sc21 ZINC000923152543 982765272 /nfs/dbraw/zinc/76/52/72/982765272.db2.gz ICSQDOZAYOJKRY-DGCLKSJQSA-N -1 0 317.410 3.535 20 0 DHADRM CC[C@H](C)N(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594983840 982789538 /nfs/dbraw/zinc/78/95/38/982789538.db2.gz QISAMCUQRAVFIG-JTQLQIEISA-N -1 0 303.362 3.518 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C1C ZINC001594985611 982805911 /nfs/dbraw/zinc/80/59/11/982805911.db2.gz VWRZQWGATBMCNE-YMTOWFKASA-N -1 0 322.792 3.563 20 0 DHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)C(C)C ZINC001116297477 982925726 /nfs/dbraw/zinc/92/57/26/982925726.db2.gz OWCVJXURFYRBSK-HOCLYGCPSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001595010856 982944423 /nfs/dbraw/zinc/94/44/23/982944423.db2.gz ZLQNTMVEHQNBIP-FZKQIMNGSA-N -1 0 303.402 3.527 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC001595960391 983150536 /nfs/dbraw/zinc/15/05/36/983150536.db2.gz HWHNMJRJWOGGHF-UHFFFAOYSA-N -1 0 313.353 3.734 20 0 DHADRM CCCOc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001595961387 983159235 /nfs/dbraw/zinc/15/92/35/983159235.db2.gz ZSRUJRQJCIFKBO-UHFFFAOYSA-N -1 0 303.333 3.925 20 0 DHADRM CCCOc1ccc(NCc2cccc(C(=O)[O-])c2)cc1F ZINC001595966724 983174540 /nfs/dbraw/zinc/17/45/40/983174540.db2.gz QDOOEWDLTFOTRL-UHFFFAOYSA-N -1 0 303.333 3.925 20 0 DHADRM CCCOc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1OC ZINC001595966828 983174570 /nfs/dbraw/zinc/17/45/70/983174570.db2.gz SJDCUGREHXWZNB-VNHYZAJKSA-N -1 0 321.417 3.785 20 0 DHADRM CCCOc1ccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001595966845 983174658 /nfs/dbraw/zinc/17/46/58/983174658.db2.gz SYGJKAKUWZMMMZ-QGZVFWFLSA-N -1 0 317.360 3.722 20 0 DHADRM CCCOc1cccc(CNc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001595969087 983187757 /nfs/dbraw/zinc/18/77/57/983187757.db2.gz LLTCFLYELLZLKD-UHFFFAOYSA-N -1 0 315.369 3.794 20 0 DHADRM CCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001595969932 983193551 /nfs/dbraw/zinc/19/35/51/983193551.db2.gz TWYKEPICHOFRLJ-KRWDZBQOSA-N -1 0 315.369 3.722 20 0 DHADRM CCC[C@H](NC(=O)c1ccccc1-c1ccccc1C)C(=O)[O-] ZINC001596019758 983281465 /nfs/dbraw/zinc/28/14/65/983281465.db2.gz CCEVQKFURFUIOA-KRWDZBQOSA-N -1 0 311.381 3.645 20 0 DHADRM CCC[C@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001596022700 983284112 /nfs/dbraw/zinc/28/41/12/983284112.db2.gz FRLFEFSZZIOSMV-AWEZNQCLSA-N -1 0 303.358 3.539 20 0 DHADRM CCC[C@H](NC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001596022889 983285045 /nfs/dbraw/zinc/28/50/45/983285045.db2.gz PBMJPQXGHSBRDC-ZDUSSCGKSA-N -1 0 319.426 3.810 20 0 DHADRM CCCc1[nH]ccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001596029956 983297375 /nfs/dbraw/zinc/29/73/75/983297375.db2.gz RYOBLPLOWQKLQP-UHFFFAOYSA-N -1 0 306.387 3.596 20 0 DHADRM CCCc1c(C(=O)NCC(C)(C)C(C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037333 983319066 /nfs/dbraw/zinc/31/90/66/983319066.db2.gz MEBQBIAYKBFNBO-UHFFFAOYSA-N -1 0 322.449 3.776 20 0 DHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc3ccsc32)s1 ZINC000443460024 1014935420 /nfs/dbraw/zinc/93/54/20/1014935420.db2.gz IYWVCOFRUZMEOS-UHFFFAOYSA-N -1 0 324.452 3.775 20 0 DHADRM CCCc1c(C(=O)Nc2ccccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045261 983331765 /nfs/dbraw/zinc/33/17/65/983331765.db2.gz GUAYVKGGNIYNAX-UHFFFAOYSA-N -1 0 300.358 3.535 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)ccc1Cl ZINC001596053297 983354264 /nfs/dbraw/zinc/35/42/64/983354264.db2.gz PHCITFHCWRUVPG-KRWDZBQOSA-N -1 0 323.820 3.619 20 0 DHADRM COc1ccc(CCC(=O)[O-])cc1-c1cnc(SC)cc1C ZINC000581499343 1014939581 /nfs/dbraw/zinc/93/95/81/1014939581.db2.gz BAANLUMPUKYZFB-UHFFFAOYSA-N -1 0 317.410 3.805 20 0 DHADRM CCCc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC001596062948 983373470 /nfs/dbraw/zinc/37/34/70/983373470.db2.gz OIQDQRHRFMNXQH-UHFFFAOYSA-N -1 0 307.346 3.790 20 0 DHADRM CCCc1ccc(CCCC(=O)N(C)C(C)(C)CC(=O)[O-])cc1 ZINC001596063155 983374192 /nfs/dbraw/zinc/37/41/92/983374192.db2.gz SXIDHDNFRQBAMX-UHFFFAOYSA-N -1 0 319.445 3.674 20 0 DHADRM CCN(C(=O)C[C@H](C)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC001596134180 983483278 /nfs/dbraw/zinc/48/32/78/983483278.db2.gz VOTFHRTWLRJQOW-VIFPVBQESA-N -1 0 318.200 3.847 20 0 DHADRM CCN(C(=O)C[C@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001596134377 983483624 /nfs/dbraw/zinc/48/36/24/983483624.db2.gz XJDSOTTYBCNKRU-JTQLQIEISA-N -1 0 317.307 3.559 20 0 DHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(C)c1C ZINC001596138573 983489406 /nfs/dbraw/zinc/48/94/06/983489406.db2.gz UPOZHEZSISKMLS-CMDGGOBGSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001596143615 983497814 /nfs/dbraw/zinc/49/78/14/983497814.db2.gz RGSWFDFKMOBHNK-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC001596156779 983516570 /nfs/dbraw/zinc/51/65/70/983516570.db2.gz KZPGILNUYXMOSM-VBNZEHGJSA-N -1 0 321.392 3.626 20 0 DHADRM CCN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596156991 983517141 /nfs/dbraw/zinc/51/71/41/983517141.db2.gz SJJLQNOISOMVNS-UZLBHIALSA-N -1 0 323.392 3.932 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000322504702 1014966828 /nfs/dbraw/zinc/96/68/28/1014966828.db2.gz OUJMHTNJUZDTAR-BLLLJJGKSA-N -1 0 312.369 3.557 20 0 DHADRM CCN(CC1CCC1)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001596294279 983715314 /nfs/dbraw/zinc/71/53/14/983715314.db2.gz NMBZNMOMUAFKCM-UHFFFAOYSA-N -1 0 310.419 3.717 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1OC)c1ccc(F)c(C)c1 ZINC001596356632 983826703 /nfs/dbraw/zinc/82/67/03/983826703.db2.gz UKFODTTYIRMBDY-UHFFFAOYSA-N -1 0 317.360 3.867 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c(C)o1 ZINC000443531809 1014987083 /nfs/dbraw/zinc/98/70/83/1014987083.db2.gz RHIARWLVJNCKNJ-UHFFFAOYSA-N -1 0 323.414 3.700 20 0 DHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)ccc1O ZINC000093930559 1014988540 /nfs/dbraw/zinc/98/85/40/1014988540.db2.gz RVFLIWJVZRQMMV-SECBINFHSA-N -1 0 309.287 3.643 20 0 DHADRM C=C/C=C/CCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588721957 983973619 /nfs/dbraw/zinc/97/36/19/983973619.db2.gz VGVBCJDHEMJXHC-ONEGZZNKSA-N -1 0 316.382 3.853 20 0 DHADRM Cc1cc(F)c(C[N@H+](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC000665350807 1015004412 /nfs/dbraw/zinc/00/44/12/1015004412.db2.gz DGQMTXJGBWVWGI-UHFFFAOYSA-N -1 0 301.789 3.720 20 0 DHADRM COc1ccc2cc(C(=O)Nc3cccc(Cl)c3[O-])[nH]c2c1 ZINC000522314039 1015019900 /nfs/dbraw/zinc/01/99/00/1015019900.db2.gz HTLUVBXBYGPTQC-UHFFFAOYSA-N -1 0 316.744 3.788 20 0 DHADRM C=COc1ccc(NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001588913495 984555533 /nfs/dbraw/zinc/55/55/33/984555533.db2.gz FIIWQRRMDIVZOE-UHFFFAOYSA-N -1 0 318.354 3.921 20 0 DHADRM C=Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC001588919380 984571519 /nfs/dbraw/zinc/57/15/19/984571519.db2.gz JMCSHAYICIFGET-OAHLLOKOSA-N -1 0 323.392 3.693 20 0 DHADRM C=Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001588920137 984576259 /nfs/dbraw/zinc/57/62/59/984576259.db2.gz VNRLEYVCFNZDHJ-UHFFFAOYSA-N -1 0 303.264 3.558 20 0 DHADRM C/C(=C\C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001588932432 984608229 /nfs/dbraw/zinc/60/82/29/984608229.db2.gz DGWALBRWICPUMQ-JLHYYAGUSA-N -1 0 321.392 3.577 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C1CC1 ZINC001588943779 984640981 /nfs/dbraw/zinc/64/09/81/984640981.db2.gz CNHYDDICCRBPBK-FWFZHJKVSA-N -1 0 323.392 3.828 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccco1 ZINC001588943961 984643448 /nfs/dbraw/zinc/64/34/48/984643448.db2.gz KKUZLWOZDOUEKN-VQHVLOKHSA-N -1 0 305.717 3.673 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC001599887224 984650335 /nfs/dbraw/zinc/65/03/35/984650335.db2.gz DLYBZEUSYJQBGC-SNVBAGLBSA-N -1 0 312.325 3.571 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC001599887988 984659438 /nfs/dbraw/zinc/65/94/38/984659438.db2.gz FBDZJLVEIWOBCB-NHYWBVRUSA-N -1 0 318.756 3.813 20 0 DHADRM C/C(=C/C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccco1 ZINC001588953304 984694285 /nfs/dbraw/zinc/69/42/85/984694285.db2.gz NRQUZLVPASWUBH-IQQGHNRFSA-N -1 0 304.298 3.587 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588955872 984699468 /nfs/dbraw/zinc/69/94/68/984699468.db2.gz BDUYSSWQFHLZNM-HVCHUGMYSA-N -1 0 303.402 3.619 20 0 DHADRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCCCC1 ZINC001599894585 984737203 /nfs/dbraw/zinc/73/72/03/984737203.db2.gz PIFZCBUOYUGVAA-LSDHHAIUSA-N -1 0 324.465 3.632 20 0 DHADRM C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC001599899786 984798319 /nfs/dbraw/zinc/79/83/19/984798319.db2.gz ONVJTHNWPYWYRF-DOPJRALCSA-N -1 0 323.392 3.642 20 0 DHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccccc1 ZINC001599904867 984909036 /nfs/dbraw/zinc/90/90/36/984909036.db2.gz IMBKDDYUIKYAPK-IYJAJMOOSA-N -1 0 310.349 3.549 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001589000641 984940729 /nfs/dbraw/zinc/94/07/29/984940729.db2.gz CJZGQYRMDVNCES-KOTGUFOOSA-N -1 0 323.820 3.749 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1(C)C ZINC001599908034 984948994 /nfs/dbraw/zinc/94/89/94/984948994.db2.gz KQQKPSKIDDGMSM-SGTLLEGYSA-N -1 0 319.401 3.551 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001589003721 984956126 /nfs/dbraw/zinc/95/61/26/984956126.db2.gz JLLJFABBFBYLDD-OWBHPGMISA-N -1 0 324.380 3.952 20 0 DHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CC1 ZINC001599908759 984957506 /nfs/dbraw/zinc/95/75/06/984957506.db2.gz KBDPXLDJMVCUIN-KYZUINATSA-N -1 0 311.765 3.509 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001589004156 984962105 /nfs/dbraw/zinc/96/21/05/984962105.db2.gz YZXJCFNVPQESJR-RBJHHQRMSA-N -1 0 323.820 3.749 20 0 DHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])CC1 ZINC001599909177 984962926 /nfs/dbraw/zinc/96/29/26/984962926.db2.gz UJUMKPMAFMXKJS-KYZUINATSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H]1C[C@H](CNc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC001599933717 985359255 /nfs/dbraw/zinc/35/92/55/985359255.db2.gz MUDWUISJJORFIH-WDNDVIMCSA-N -1 0 305.418 3.664 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC001599937987 985419294 /nfs/dbraw/zinc/41/92/94/985419294.db2.gz SPMGLSAIDUJDPF-KDOFPFPSSA-N -1 0 313.328 3.656 20 0 DHADRM O=C([O-])CCCCCN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758704 1015130095 /nfs/dbraw/zinc/13/00/95/1015130095.db2.gz LPBITPNETIXUNR-UHFFFAOYSA-N -1 0 316.228 3.997 20 0 DHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccsc2)ccc1Cl ZINC001589180980 985557452 /nfs/dbraw/zinc/55/74/52/985557452.db2.gz XYQQJQOUDSMNCF-ZDUSSCGKSA-N -1 0 324.789 3.598 20 0 DHADRM CC(=O)Nc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001589204357 985661637 /nfs/dbraw/zinc/66/16/37/985661637.db2.gz WOXLIGFGSFTENN-SWLSCSKDSA-N -1 0 307.415 3.628 20 0 DHADRM Cc1[nH]c(C(=O)Nc2ccccc2C(C)(F)F)c(C)c1C(=O)[O-] ZINC001599954607 985666269 /nfs/dbraw/zinc/66/62/69/985666269.db2.gz KUMSMOIKVOJOAI-UHFFFAOYSA-N -1 0 322.311 3.694 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@H](C)CC(C)(C)C ZINC001599955935 985688632 /nfs/dbraw/zinc/68/86/32/985688632.db2.gz XTZFZWNBMYXWOF-JTQLQIEISA-N -1 0 308.422 3.522 20 0 DHADRM C[C@@H]1CN(C)c2ccccc2N(Cc2csc(C(=O)[O-])c2)C1 ZINC001594509500 985778058 /nfs/dbraw/zinc/77/80/58/985778058.db2.gz YZEXUWHPTJLCRC-GFCCVEGCSA-N -1 0 316.426 3.539 20 0 DHADRM Cc1[nH]c(CNc2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC001599963787 985853096 /nfs/dbraw/zinc/85/30/96/985853096.db2.gz TWWSNLSYJTZOKM-UHFFFAOYSA-N -1 0 311.341 3.597 20 0 DHADRM CSc1cc(F)c(Nc2cc(=O)[n-]c(Cl)n2)cc1F ZINC001215966197 1015168454 /nfs/dbraw/zinc/16/84/54/1015168454.db2.gz ILOWCPHPOHRAQH-UHFFFAOYSA-N -1 0 303.721 3.579 20 0 DHADRM CC(=O)c1ccc(OCc2csc(C(=O)[O-])c2)c(Cl)c1 ZINC001589297303 986038896 /nfs/dbraw/zinc/03/88/96/986038896.db2.gz KLSCGEGYINXUEO-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001589297427 986041396 /nfs/dbraw/zinc/04/13/96/986041396.db2.gz TYWVGAMZURAEKE-UHFFFAOYSA-N -1 0 310.349 3.584 20 0 DHADRM CCOc1c(Cl)cc(NC(=O)CCCC(=O)[O-])cc1Cl ZINC001596987128 986261645 /nfs/dbraw/zinc/26/16/45/986261645.db2.gz NPGFDUCCZAAJSO-UHFFFAOYSA-N -1 0 320.172 3.586 20 0 DHADRM C[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589385816 986480506 /nfs/dbraw/zinc/48/05/06/986480506.db2.gz NNPNTEWKHFRQOZ-YDHLFZDLSA-N -1 0 311.466 3.845 20 0 DHADRM C[C@H]([C@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C(C)(C)C ZINC001589385813 986480546 /nfs/dbraw/zinc/48/05/46/986480546.db2.gz NNPNTEWKHFRQOZ-GUTXKFCHSA-N -1 0 311.466 3.845 20 0 DHADRM CC(C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-])=C1CCC1 ZINC001589429563 986710293 /nfs/dbraw/zinc/71/02/93/986710293.db2.gz MUAXEVQQVXSKQM-UHFFFAOYSA-N -1 0 316.382 3.742 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001589430828 986721430 /nfs/dbraw/zinc/72/14/30/986721430.db2.gz VNURPIOZORJVFQ-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM CCOc1ccc(CNc2cnc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC001597105225 986735033 /nfs/dbraw/zinc/73/50/33/986735033.db2.gz IQHCQUQEIYBFNI-UHFFFAOYSA-N -1 0 320.776 3.752 20 0 DHADRM CCOc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597106368 986749159 /nfs/dbraw/zinc/74/91/59/986749159.db2.gz PZSODVZDABKAGI-UHFFFAOYSA-N -1 0 320.370 3.513 20 0 DHADRM CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1F ZINC001597112930 986783257 /nfs/dbraw/zinc/78/32/57/986783257.db2.gz PITJERQGTBOLPZ-QWRGUYRKSA-N -1 0 323.364 3.687 20 0 DHADRM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H](C)C(C)(C)C ZINC001589440284 986785138 /nfs/dbraw/zinc/78/51/38/986785138.db2.gz VJIZGNSWQSPQPM-STQMWFEESA-N -1 0 305.418 3.961 20 0 DHADRM C[C@@H](C(=O)Nc1ccsc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589444035 986793832 /nfs/dbraw/zinc/79/38/32/986793832.db2.gz HZZFFFCNLKQAAS-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM CCOc1cccc(F)c1CNc1cc(C)cc(C(=O)[O-])c1 ZINC001597160055 986963627 /nfs/dbraw/zinc/96/36/27/986963627.db2.gz PPAZOJDKCIOAOJ-UHFFFAOYSA-N -1 0 303.333 3.843 20 0 DHADRM C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594666749 986967634 /nfs/dbraw/zinc/96/76/34/986967634.db2.gz ZSOAPLOYDQBOJP-NSHDSACASA-N -1 0 317.335 3.782 20 0 DHADRM C[C@H]1c2ccc(F)cc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594668967 986976748 /nfs/dbraw/zinc/97/67/48/986976748.db2.gz WIAVSPPRLWDBBD-NSHDSACASA-N -1 0 317.335 3.782 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)CC ZINC001594677440 987015284 /nfs/dbraw/zinc/01/52/84/987015284.db2.gz NEQOHYCOVNSGNY-SIGQXUIGSA-N -1 0 323.392 3.994 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001594686207 987062919 /nfs/dbraw/zinc/06/29/19/987062919.db2.gz PUGXOLGWCUXLNX-OTDNITJGSA-N -1 0 308.403 3.656 20 0 DHADRM CC/C(=C/C(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(C)cc1 ZINC001594690732 987082631 /nfs/dbraw/zinc/08/26/31/987082631.db2.gz ABSQGQUEHJLRNV-QAALXFNPSA-N -1 0 315.413 3.643 20 0 DHADRM CCC(=CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)CC ZINC001594691343 987090216 /nfs/dbraw/zinc/09/02/16/987090216.db2.gz RGHDQRQLFUWPSQ-MRXNPFEDSA-N -1 0 315.413 3.667 20 0 DHADRM CCOc1ncc(C)cc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597198187 987095780 /nfs/dbraw/zinc/09/57/80/987095780.db2.gz UAGJSKPZMKFWGY-UHFFFAOYSA-N -1 0 320.776 3.752 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C(F)F)CCCC2)cc1 ZINC001589502635 987104468 /nfs/dbraw/zinc/10/44/68/987104468.db2.gz HFBBCWVMOIAZBE-SNVBAGLBSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC3(CCC3)C[C@H]2C)cc1 ZINC001589510772 987136390 /nfs/dbraw/zinc/13/63/90/987136390.db2.gz WBHIOPXXVRHAIK-OLZOCXBDSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC=CC23CCCC3)cc1 ZINC001589510543 987136480 /nfs/dbraw/zinc/13/64/80/987136480.db2.gz VSOHMBPQHXKJEX-CYBMUJFWSA-N -1 0 314.385 3.591 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)cc1 ZINC001589513965 987161253 /nfs/dbraw/zinc/16/12/53/987161253.db2.gz YVRNEKQXGCPFMO-SWLSCSKDSA-N -1 0 316.401 3.719 20 0 DHADRM COCCOc1ccc(-c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000581736929 1015285152 /nfs/dbraw/zinc/28/51/52/1015285152.db2.gz PAPSDBQRRQABAU-AWEZNQCLSA-N -1 0 314.381 3.957 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 ZINC001589531316 987202314 /nfs/dbraw/zinc/20/23/14/987202314.db2.gz DBKGHQCWKATLPR-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(C(F)F)o2)c1 ZINC001589531431 987202953 /nfs/dbraw/zinc/20/29/53/987202953.db2.gz GDCLYPCNLDXDNW-QMMMGPOBSA-N -1 0 309.268 3.658 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2c(F)nccc2Cl)c1 ZINC001589531481 987203838 /nfs/dbraw/zinc/20/38/38/987203838.db2.gz FUPCKCFYMDBDCL-SECBINFHSA-N -1 0 308.740 3.674 20 0 DHADRM CC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594729161 987240078 /nfs/dbraw/zinc/24/00/78/987240078.db2.gz NMNJADHFQWPLOW-QXHHKTCCSA-N -1 0 309.450 3.599 20 0 DHADRM CCS[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)C(C)C ZINC001597251720 987244031 /nfs/dbraw/zinc/24/40/31/987244031.db2.gz UAVQUUBANOSYRU-AWEZNQCLSA-N -1 0 310.415 3.514 20 0 DHADRM CCS[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)C(C)C ZINC001597251721 987244219 /nfs/dbraw/zinc/24/42/19/987244219.db2.gz UAVQUUBANOSYRU-CQSZACIVSA-N -1 0 310.415 3.514 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001594735101 987267033 /nfs/dbraw/zinc/26/70/33/987267033.db2.gz HXZLHUHLMSPBBF-CQSZACIVSA-N -1 0 313.353 3.526 20 0 DHADRM CC[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC001594736349 987276054 /nfs/dbraw/zinc/27/60/54/987276054.db2.gz XTRFXKXHFLMGJV-OAHLLOKOSA-N -1 0 315.344 3.585 20 0 DHADRM C[C@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589551914 987284582 /nfs/dbraw/zinc/28/45/82/987284582.db2.gz AJJMUNFDAMRMLH-LBPRGKRZSA-N -1 0 323.348 3.586 20 0 DHADRM C[C@H]([C@H](C)C(=O)Oc1ccc(CC(=O)[O-])cc1F)C(C)(C)C ZINC001589553883 987295278 /nfs/dbraw/zinc/29/52/78/987295278.db2.gz URNKPIODCZXOCH-WDEREUQCSA-N -1 0 310.365 3.677 20 0 DHADRM CCSCc1cccnc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001597267803 987305940 /nfs/dbraw/zinc/30/59/40/987305940.db2.gz PZCCEIWWALDVIY-OUCADQQQSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H](CC)C(=O)[O-] ZINC001597273654 987330890 /nfs/dbraw/zinc/33/08/90/987330890.db2.gz XPEYIHMAMNYQKR-SECBINFHSA-N -1 0 301.795 3.501 20 0 DHADRM CC[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001597301350 987410572 /nfs/dbraw/zinc/41/05/72/987410572.db2.gz RNIFYUMFWQQQQE-NEPJUHHUSA-N -1 0 312.369 3.706 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589597729 987416801 /nfs/dbraw/zinc/41/68/01/987416801.db2.gz AULIDSKQBKXXIU-KFWWJZLASA-N -1 0 317.429 3.637 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)no1 ZINC000096746006 1015309204 /nfs/dbraw/zinc/30/92/04/1015309204.db2.gz KKLQIWLKTWBYOA-UHFFFAOYSA-N -1 0 322.430 3.698 20 0 DHADRM CC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC001597343508 987482250 /nfs/dbraw/zinc/48/22/50/987482250.db2.gz HMWAIZRYPYXDGJ-KRWDZBQOSA-N -1 0 311.381 3.585 20 0 DHADRM CCc1[nH]c(C(=O)N[C@@H](C)C2CCCCCC2)c(C)c1C(=O)[O-] ZINC001597385881 987598008 /nfs/dbraw/zinc/59/80/08/987598008.db2.gz TUXPKZREPRIIPV-LBPRGKRZSA-N -1 0 320.433 3.672 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-] ZINC001597406738 987686579 /nfs/dbraw/zinc/68/65/79/987686579.db2.gz ZXRNCUAGSPZKFN-FZMZJTMJSA-N -1 0 317.385 3.614 20 0 DHADRM CC(C)(C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589696564 987775786 /nfs/dbraw/zinc/77/57/86/987775786.db2.gz FPCAWPCIPCWQCD-UHFFFAOYSA-N -1 0 319.382 3.598 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccccc1C ZINC001597450152 987838520 /nfs/dbraw/zinc/83/85/20/987838520.db2.gz STORUKFYBXOQJF-CYBMUJFWSA-N -1 0 311.381 3.998 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001597450301 987839602 /nfs/dbraw/zinc/83/96/02/987839602.db2.gz VFSUAKNJDIPPMJ-GFCCVEGCSA-N -1 0 311.328 3.711 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC001597451526 987842483 /nfs/dbraw/zinc/84/24/83/987842483.db2.gz FIXSBFYOWCCYIQ-DOMZBBRYSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC001597453817 987857428 /nfs/dbraw/zinc/85/74/28/987857428.db2.gz STFWDEWGNJWOHH-NEPJUHHUSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC001597456549 987862207 /nfs/dbraw/zinc/86/22/07/987862207.db2.gz GZZDVHYQLXBSLL-CHWSQXEVSA-N -1 0 318.417 3.847 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@]1(C)CC=CCC1 ZINC001597456832 987866467 /nfs/dbraw/zinc/86/64/67/987866467.db2.gz MERDMSLLUHSGOG-QGZVFWFLSA-N -1 0 302.374 3.568 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001597464374 987897424 /nfs/dbraw/zinc/89/74/24/987897424.db2.gz IRJLBEYCEYKUNX-DUVNUKRYSA-N -1 0 316.401 3.647 20 0 DHADRM CS[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001599784774 987903582 /nfs/dbraw/zinc/90/35/82/987903582.db2.gz XGTCOPUULONIOL-QMMMGPOBSA-N -1 0 301.795 3.508 20 0 DHADRM CS[C@H](C)CCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599784942 987905152 /nfs/dbraw/zinc/90/51/52/987905152.db2.gz YKWMKSNYQOGCHE-RNCFNFMXSA-N -1 0 316.806 3.541 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NC[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC001589726895 987915598 /nfs/dbraw/zinc/91/55/98/987915598.db2.gz UBXNHPNFGSQRFO-AAFJCEBUSA-N -1 0 321.461 3.766 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001589727211 987922655 /nfs/dbraw/zinc/92/26/55/987922655.db2.gz YQAJOVYQBTZQCN-LOWNFYCTSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001589728210 987928729 /nfs/dbraw/zinc/92/87/29/987928729.db2.gz GDTYFASRTWCFFM-OLZOCXBDSA-N -1 0 307.390 3.703 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589728287 987930093 /nfs/dbraw/zinc/93/00/93/987930093.db2.gz ICNNKZOOPJWKQD-KBPBESRZSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(C)C1CCC(OC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001589729019 987938390 /nfs/dbraw/zinc/93/83/90/987938390.db2.gz QSQYQRDMNGGERG-UHFFFAOYSA-N -1 0 308.374 3.668 20 0 DHADRM CS[C@H](CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(C)(C)C ZINC001599787090 987940740 /nfs/dbraw/zinc/94/07/40/987940740.db2.gz MFOSLWPMWDTLHR-CYBMUJFWSA-N -1 0 324.446 3.592 20 0 DHADRM CS[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1C)C(C)(C)C ZINC001599787463 987947445 /nfs/dbraw/zinc/94/74/45/987947445.db2.gz QLCISFXVLXICBX-ZDUSSCGKSA-N -1 0 324.446 3.592 20 0 DHADRM CCO[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000474430488 1015353651 /nfs/dbraw/zinc/35/36/51/1015353651.db2.gz IIZKFOUGQOSGKJ-HNNXBMFYSA-N -1 0 323.751 3.901 20 0 DHADRM Cc1ccc(OCC(=O)Nc2cc(F)cc(Cl)c2[O-])c(C)c1 ZINC000474428965 1015353992 /nfs/dbraw/zinc/35/39/92/1015353992.db2.gz VAGJJPLAYBPOEH-UHFFFAOYSA-N -1 0 323.751 3.819 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001589750786 988048271 /nfs/dbraw/zinc/04/82/71/988048271.db2.gz CNEMYHKEOUHXAD-JTQLQIEISA-N -1 0 311.447 3.665 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1cccc2c1CCCCC2)C(=O)[O-] ZINC001589751157 988050365 /nfs/dbraw/zinc/05/03/65/988050365.db2.gz KGTCZPJPVCNISB-INIZCTEOSA-N -1 0 317.429 3.575 20 0 DHADRM CCc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1CC ZINC001597500538 988055935 /nfs/dbraw/zinc/05/59/35/988055935.db2.gz NCQIKXMVSVOBSU-UHFFFAOYSA-N -1 0 323.392 3.713 20 0 DHADRM CCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1CC ZINC001597501166 988065523 /nfs/dbraw/zinc/06/55/23/988065523.db2.gz WOIAXWXQWDLATH-UHFFFAOYSA-N -1 0 317.429 3.576 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)c(F)cc1F ZINC000474433721 1015357628 /nfs/dbraw/zinc/35/76/28/1015357628.db2.gz VRZUAECVJJHXHC-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001597502427 988066995 /nfs/dbraw/zinc/06/69/95/988066995.db2.gz AUVUJUQZDQTAOV-YHWZYXNKSA-N -1 0 320.410 3.527 20 0 DHADRM CC(C)(C)CCCCNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001589771718 988124112 /nfs/dbraw/zinc/12/41/12/988124112.db2.gz DGWHWJWPEAPJFM-BEFAXECRSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001589772057 988128697 /nfs/dbraw/zinc/12/86/97/988128697.db2.gz XZGDVCOJIXCUFG-HNNXBMFYSA-N -1 0 309.381 3.674 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001597523599 988160856 /nfs/dbraw/zinc/16/08/56/988160856.db2.gz YCUZBYZQWFASQP-HNNXBMFYSA-N -1 0 320.433 3.822 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001589784632 988167752 /nfs/dbraw/zinc/16/77/52/988167752.db2.gz YZQRTHVZEZLLIJ-UONOGXRCSA-N -1 0 309.450 3.743 20 0 DHADRM Cc1ccc(C)c(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474442442 1015368141 /nfs/dbraw/zinc/36/81/41/1015368141.db2.gz XBYTXOVXFZNNJS-UHFFFAOYSA-N -1 0 307.752 3.983 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001597531136 988190200 /nfs/dbraw/zinc/19/02/00/988190200.db2.gz YAJSFGRCYBCBSX-UHFFFAOYSA-N -1 0 307.346 3.709 20 0 DHADRM CCc1ccc(N(CC)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001597532615 988194035 /nfs/dbraw/zinc/19/40/35/988194035.db2.gz JSEBPDFNAVMVQU-UHFFFAOYSA-N -1 0 311.381 3.543 20 0 DHADRM CSCc1ccc(-c2noc(-c3ccc(C(=O)[O-])o3)n2)cc1 ZINC001599802263 988196775 /nfs/dbraw/zinc/19/67/75/988196775.db2.gz IZVBBIYSWFIZEG-UHFFFAOYSA-N -1 0 316.338 3.558 20 0 DHADRM CSCc1ccccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599804478 988231264 /nfs/dbraw/zinc/23/12/64/988231264.db2.gz LJPGZCVFDJKBBJ-UHFFFAOYSA-N -1 0 315.394 3.809 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c(C(=O)[O-])c1 ZINC001597543080 988237320 /nfs/dbraw/zinc/23/73/20/988237320.db2.gz RMIHDKWRWMBFBL-UYHISHBKSA-N -1 0 323.392 3.935 20 0 DHADRM CCc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1C ZINC001597543257 988239833 /nfs/dbraw/zinc/23/98/33/988239833.db2.gz YQMZSBUVXLMXEU-YLJYHZDGSA-N -1 0 323.392 3.754 20 0 DHADRM CCc1ccc(N[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1OC ZINC001597551357 988273607 /nfs/dbraw/zinc/27/36/07/988273607.db2.gz GDHIRPZYLOIVDD-QGZVFWFLSA-N -1 0 315.369 3.504 20 0 DHADRM CCc1oc(CNc2ccc(CC)c(OC)c2)cc1C(=O)[O-] ZINC001597551477 988274899 /nfs/dbraw/zinc/27/48/99/988274899.db2.gz IEDXILWGICFDFZ-UHFFFAOYSA-N -1 0 303.358 3.723 20 0 DHADRM CSc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599809611 988310855 /nfs/dbraw/zinc/31/08/55/988310855.db2.gz LTKFZHMSXJNPQF-KRWDZBQOSA-N -1 0 321.442 3.562 20 0 DHADRM CSc1cc(NC(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC001599809701 988313169 /nfs/dbraw/zinc/31/31/69/988313169.db2.gz MQOBQVWWCTUPSI-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(C)ccc1C ZINC001597572862 988355361 /nfs/dbraw/zinc/35/53/61/988355361.db2.gz NZHNDITZARGNKZ-UHFFFAOYSA-N -1 0 311.381 3.745 20 0 DHADRM CSc1ccc(C)c(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001599813162 988373488 /nfs/dbraw/zinc/37/34/88/988373488.db2.gz SZNPTPFCJHLOGX-CYBMUJFWSA-N -1 0 324.446 3.728 20 0 DHADRM C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094805 1015381416 /nfs/dbraw/zinc/38/14/16/1015381416.db2.gz NTOADFFQTJHUCR-LLVKDONJSA-N -1 0 301.367 3.504 20 0 DHADRM CCc1cccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001597586840 988406196 /nfs/dbraw/zinc/40/61/96/988406196.db2.gz LVCVXGHLASFGAE-UHFFFAOYSA-N -1 0 317.772 3.531 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(SC)o1 ZINC001597591801 988415576 /nfs/dbraw/zinc/41/55/76/988415576.db2.gz JAGSJSOAWNIBNL-UHFFFAOYSA-N -1 0 305.355 3.514 20 0 DHADRM CSc1ccc(NC(=O)[C@@H]2CC3CCC2CC3)cc1C(=O)[O-] ZINC001599815480 988415589 /nfs/dbraw/zinc/41/55/89/988415589.db2.gz BROGWWNHBFFZDM-GCZXYKMCSA-N -1 0 319.426 3.872 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1sc(C)cc1C ZINC001597591878 988417176 /nfs/dbraw/zinc/41/71/76/988417176.db2.gz KKRVEWQZYQKIFO-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC001599817686 988454668 /nfs/dbraw/zinc/45/46/68/988454668.db2.gz WCDRCORNVHPROS-GHMZBOCLSA-N -1 0 322.430 3.617 20 0 DHADRM CCc1ccccc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001597609873 988500892 /nfs/dbraw/zinc/50/08/92/988500892.db2.gz XDDIUAQTHFJSPJ-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CSc1ccc(NCC2Cc3ccccc3C2)cc1C(=O)[O-] ZINC001599820526 988505564 /nfs/dbraw/zinc/50/55/64/988505564.db2.gz AANUDBRVKYECJB-UHFFFAOYSA-N -1 0 313.422 3.934 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001599821233 988516972 /nfs/dbraw/zinc/51/69/72/988516972.db2.gz QCMWWLOCAWOJEQ-FPMFFAJLSA-N -1 0 322.426 3.904 20 0 DHADRM CSc1ccccc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599823308 988552491 /nfs/dbraw/zinc/55/24/91/988552491.db2.gz MLIDHQJMCOPURT-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1cccc(F)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599824407 988573024 /nfs/dbraw/zinc/57/30/24/988573024.db2.gz VYMLUUHFSAYNGL-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166949 1015400532 /nfs/dbraw/zinc/40/05/32/1015400532.db2.gz VAPXDQCBTYDBKR-GFCCVEGCSA-N -1 0 315.394 3.813 20 0 DHADRM CCc1ccsc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001597626385 988576454 /nfs/dbraw/zinc/57/64/54/988576454.db2.gz PYWRSEXCOXQBHQ-UHFFFAOYSA-N -1 0 322.411 3.595 20 0 DHADRM CC(C)(C)OC(=O)CS[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001589898388 988590789 /nfs/dbraw/zinc/59/07/89/988590789.db2.gz CHXXZIOQYCEVMD-LBPRGKRZSA-N -1 0 316.806 3.541 20 0 DHADRM CSc1ccccc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])o1 ZINC001599825984 988598325 /nfs/dbraw/zinc/59/83/25/988598325.db2.gz CGNXFFZWZCJJOL-SECBINFHSA-N -1 0 306.339 3.618 20 0 DHADRM CC(C)(C)OC(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589901390 988610027 /nfs/dbraw/zinc/61/00/27/988610027.db2.gz OEWCOFZRJPGHRP-UHFFFAOYSA-N -1 0 316.806 3.613 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599833461 988708479 /nfs/dbraw/zinc/70/84/79/988708479.db2.gz LLCYMYOKXDVHIH-NSHDSACASA-N -1 0 322.380 3.956 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001599834033 988716082 /nfs/dbraw/zinc/71/60/82/988716082.db2.gz XXQCHEUSMGEZIH-BKDNQFJXSA-N -1 0 317.168 3.503 20 0 DHADRM CCc1nc(C)cc(N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001597660720 988727554 /nfs/dbraw/zinc/72/75/54/988727554.db2.gz AWOBAMVNLBSYMV-HNNXBMFYSA-N -1 0 319.449 3.963 20 0 DHADRM CCc1nc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)sc1C(=O)[O-] ZINC001597676294 988790056 /nfs/dbraw/zinc/79/00/56/988790056.db2.gz SETQUGVSRZJSOC-KOLCDFICSA-N -1 0 322.430 3.581 20 0 DHADRM CCc1nn(C)cc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001597723019 989005495 /nfs/dbraw/zinc/00/54/95/989005495.db2.gz SZRNEIPVDJBXKP-UHFFFAOYSA-N -1 0 315.398 3.508 20 0 DHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC001597736480 989088940 /nfs/dbraw/zinc/08/89/40/989088940.db2.gz ZEQHAWWMNTYZPB-SNVBAGLBSA-N -1 0 314.819 3.672 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSCc1nc2ccccc2[nH]1 ZINC001597772184 989235011 /nfs/dbraw/zinc/23/50/11/989235011.db2.gz MRDATRIDLSKJBT-UHFFFAOYSA-N -1 0 316.382 3.850 20 0 DHADRM CCc1oc(CN2CCC[C@@H]2c2csc(C)n2)cc1C(=O)[O-] ZINC001597800167 989389871 /nfs/dbraw/zinc/38/98/71/989389871.db2.gz YJCVMUDQKZOBSU-CQSZACIVSA-N -1 0 320.414 3.642 20 0 DHADRM CCc1oc(CNc2ccc3ncsc3c2)cc1C(=O)[O-] ZINC001597804730 989408603 /nfs/dbraw/zinc/40/86/03/989408603.db2.gz LBUUEPAOHAFZHA-UHFFFAOYSA-N -1 0 302.355 3.762 20 0 DHADRM Cc1cccc(OC[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000054165778 1015473499 /nfs/dbraw/zinc/47/34/99/1015473499.db2.gz CUDTZPBGOZXTHK-LBPRGKRZSA-N -1 0 319.788 3.551 20 0 DHADRM CCc1oc(CNCc2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC001597805886 989416799 /nfs/dbraw/zinc/41/67/99/989416799.db2.gz QIMWQCLASZQLTJ-UHFFFAOYSA-N -1 0 311.740 3.623 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001597807967 989422491 /nfs/dbraw/zinc/42/24/91/989422491.db2.gz OLQJJHWQNNNJPZ-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM Cc1ccc(Cl)c(C(=O)[O-])c1NC(=O)N(C)CC(C)(C)C ZINC000519588472 1015481881 /nfs/dbraw/zinc/48/18/81/1015481881.db2.gz NSMKLOADKQKYRZ-UHFFFAOYSA-N -1 0 312.797 3.856 20 0 DHADRM CC(C)c1nc(/C=C\c2cccnc2Cl)ncc1C(=O)[O-] ZINC000255378906 1015498129 /nfs/dbraw/zinc/49/81/29/1015498129.db2.gz WIGPFTXOBCQEQK-WAYWQWQTSA-N -1 0 303.749 3.517 20 0 DHADRM CC(C)(C)OCc1ccc(NCc2ncc(C(=O)[O-])s2)cc1 ZINC001590396578 989923204 /nfs/dbraw/zinc/92/32/04/989923204.db2.gz XBFHXQQPCPSDTK-UHFFFAOYSA-N -1 0 320.414 3.769 20 0 DHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001590417227 989958879 /nfs/dbraw/zinc/95/88/79/989958879.db2.gz 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990155720 /nfs/dbraw/zinc/15/57/20/990155720.db2.gz YMGPEJTZXFTMEI-UHFFFAOYSA-N -1 0 322.455 3.967 20 0 DHADRM CN(C(=O)/C=C/C1CCCCCC1)C1(C(=O)[O-])CCCCC1 ZINC001598007121 990164688 /nfs/dbraw/zinc/16/46/88/990164688.db2.gz WQCXYIMSONEEIU-VAWYXSNFSA-N -1 0 307.434 3.759 20 0 DHADRM CN(C(=O)CC(C1CCC1)C1CCC1)c1ccccc1C(=O)[O-] ZINC001598008336 990170916 /nfs/dbraw/zinc/17/09/16/990170916.db2.gz VSGSVQPKJLHLIJ-UHFFFAOYSA-N -1 0 315.413 3.954 20 0 DHADRM CC(C)(C)c1nc(COc2cccc(C(C)(C)C(=O)[O-])c2)co1 ZINC001590542484 990172778 /nfs/dbraw/zinc/17/27/78/990172778.db2.gz WXHUVLQLUGWZIF-UHFFFAOYSA-N -1 0 317.385 3.913 20 0 DHADRM CC(C)(C)c1nc(NC(=O)C[C@H]2C=CCCC2)sc1C(=O)[O-] ZINC001590544947 990177669 /nfs/dbraw/zinc/17/76/69/990177669.db2.gz MGIGXQAHNBLKDB-JTQLQIEISA-N -1 0 322.430 3.824 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC001590635060 990322387 /nfs/dbraw/zinc/32/23/87/990322387.db2.gz GVFOVLQXOPIMIN-QWRGUYRKSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC001590635549 990324386 /nfs/dbraw/zinc/32/43/86/990324386.db2.gz WRMBHHGHTNZKID-UHFFFAOYSA-N -1 0 324.808 3.744 20 0 DHADRM CN(C(=O)c1cc(F)cc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001598077912 990385343 /nfs/dbraw/zinc/38/53/43/990385343.db2.gz SPDPRLAPECTTKZ-UHFFFAOYSA-N -1 0 323.323 3.954 20 0 DHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cccc(Cl)c1[O-] ZINC001126563521 1015562263 /nfs/dbraw/zinc/56/22/63/1015562263.db2.gz ZWCUICQTLZFPIE-WMLDXEAASA-N -1 0 301.773 3.506 20 0 DHADRM CC(C)(CNC(=O)N1CCC[C@H]1CC1CCCCC1)CC(=O)[O-] ZINC001590717216 990481708 /nfs/dbraw/zinc/48/17/08/990481708.db2.gz LJXVMUBSPGJHSK-HNNXBMFYSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)(CNC(=O)Nc1cccc2ccsc21)CC(=O)[O-] ZINC001590738337 990532334 /nfs/dbraw/zinc/53/23/34/990532334.db2.gz JSARGOQHXIEPRW-UHFFFAOYSA-N -1 0 306.387 3.524 20 0 DHADRM CC(C)(NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001590855469 990740254 /nfs/dbraw/zinc/74/02/54/990740254.db2.gz BCWHBCLVJSIKIF-UHFFFAOYSA-N -1 0 318.398 3.910 20 0 DHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000013947732 1015587675 /nfs/dbraw/zinc/58/76/75/1015587675.db2.gz SJLLQAYQWDSFBF-UHFFFAOYSA-N -1 0 324.833 3.734 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001590914213 990897125 /nfs/dbraw/zinc/89/71/25/990897125.db2.gz CCJYSZZUAYBUJJ-LVQVYYBASA-N -1 0 309.450 3.859 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1(C)C ZINC001590915115 990901598 /nfs/dbraw/zinc/90/15/98/990901598.db2.gz PPGLZVRNRFRSGP-PJIJBLCYSA-N -1 0 321.461 3.765 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2scc(C)c2C(=O)[O-])C1(C)C ZINC001590915288 990902938 /nfs/dbraw/zinc/90/29/38/990902938.db2.gz RKNWBTLLVGBIHD-ZYHUDNBSSA-N -1 0 307.415 3.932 20 0 DHADRM CC(C)=CCS[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001590927115 990930985 /nfs/dbraw/zinc/93/09/85/990930985.db2.gz SBBIXBXNXOLWAU-JTQLQIEISA-N -1 0 313.444 3.781 20 0 DHADRM COc1cccc2c1CCCCN2Cc1cc(C)c(C(=O)[O-])o1 ZINC001599691025 991069225 /nfs/dbraw/zinc/06/92/25/991069225.db2.gz XJZSATCJKHRLBH-UHFFFAOYSA-N -1 0 315.369 3.638 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001590980800 991133962 /nfs/dbraw/zinc/13/39/62/991133962.db2.gz KJDFBDBQWWIYMX-GMBSWORKSA-N -1 0 323.477 3.798 20 0 DHADRM CN(C)c1c(Cl)cccc1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001598288417 991196165 /nfs/dbraw/zinc/19/61/65/991196165.db2.gz UBIGESWELQPRAC-UHFFFAOYSA-N -1 0 322.767 3.855 20 0 DHADRM CC(C)[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1 ZINC001591035857 991357998 /nfs/dbraw/zinc/35/79/98/991357998.db2.gz KKYWNSOGDTWKHW-AWEZNQCLSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001591057716 991467307 /nfs/dbraw/zinc/46/73/07/991467307.db2.gz HHPBOZQOQIYUKZ-HNAYVOBHSA-N -1 0 315.413 3.736 20 0 DHADRM CC(C)C1CCC(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001591079548 991574028 /nfs/dbraw/zinc/57/40/28/991574028.db2.gz ILOYSZBNDQMSNT-FPLPWBNLSA-N -1 0 319.401 3.570 20 0 DHADRM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001591079584 991575156 /nfs/dbraw/zinc/57/51/56/991575156.db2.gz ISNOWPFYRWQDPE-QWRGUYRKSA-N -1 0 303.383 3.830 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001591080757 991586285 /nfs/dbraw/zinc/58/62/85/991586285.db2.gz CUCZZTZWNWCNQK-GJZGRUSLSA-N -1 0 321.461 3.743 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001591081763 991594047 /nfs/dbraw/zinc/59/40/47/991594047.db2.gz KVMZKTRPKKALJO-ZFWWWQNUSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591081867 991594957 /nfs/dbraw/zinc/59/49/57/991594957.db2.gz MDRJBCIKMXEIBO-GJZGRUSLSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCCCCCC(=O)[O-])CC1 ZINC001591082005 991595553 /nfs/dbraw/zinc/59/55/53/991595553.db2.gz OYYLALDHVFYUAY-GJZGRUSLSA-N -1 0 312.454 3.536 20 0 DHADRM CC(C)[C@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001591087879 991613849 /nfs/dbraw/zinc/61/38/49/991613849.db2.gz UOQGAUIGKZBQIC-JTQLQIEISA-N -1 0 316.323 3.671 20 0 DHADRM CC(C)[C@H]1CCCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591088385 991621867 /nfs/dbraw/zinc/62/18/67/991621867.db2.gz HQPFFCMBDFOIAZ-QGZVFWFLSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1 ZINC001591089010 991628079 /nfs/dbraw/zinc/62/80/79/991628079.db2.gz ORAQNMFXNPTHOB-DZGCQCFKSA-N -1 0 315.417 3.748 20 0 DHADRM CC(C)[C@@H]1N(c2ncc(C(=O)[O-])cc2Cl)CC12CCCC2 ZINC001591098538 991702185 /nfs/dbraw/zinc/70/21/85/991702185.db2.gz CHOIPTSUWXEQBZ-ZDUSSCGKSA-N -1 0 308.809 3.838 20 0 DHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])cc2)CC12CC=CC2 ZINC001591098602 991703691 /nfs/dbraw/zinc/70/36/91/991703691.db2.gz HBZFXTAEMSIQRF-OAHLLOKOSA-N -1 0 314.385 3.593 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCCCC2 ZINC001591098745 991705413 /nfs/dbraw/zinc/70/54/13/991705413.db2.gz HWUPYGXBJWKUDP-JYJNAYRXSA-N -1 0 321.461 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C[C@@H](Oc1[n-]c(=O)ncc1F)c1c(Cl)ccc(F)c1Cl ZINC001225881849 1012804927 /nfs/dbraw/zinc/80/49/27/1012804927.db2.gz NYQARUYCGNSCSL-RXMQYKEDSA-N -1 0 321.110 3.907 20 0 DHADRM CCc1cccc2c(Cc3nc(=O)c4sccc4[n-]3)c[nH]c21 ZINC000109365302 1012917202 /nfs/dbraw/zinc/91/72/02/1012917202.db2.gz BPDDUXZHMYCOPL-UHFFFAOYSA-N -1 0 309.394 3.619 20 0 DHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000517168673 1012923138 /nfs/dbraw/zinc/92/31/38/1012923138.db2.gz IXVBEJSPVDIUDL-UHFFFAOYSA-N -1 0 323.389 3.642 20 0 DHADRM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000073072636 1017136197 /nfs/dbraw/zinc/13/61/97/1017136197.db2.gz UEXNYHDDBDZWOH-GXTWGEPZSA-N -1 0 310.378 3.776 20 0 DHADRM CCOc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC001203329950 1032682471 /nfs/dbraw/zinc/68/24/71/1032682471.db2.gz MNAUYAOAUDNHGM-UHFFFAOYSA-N -1 0 311.259 3.944 20 0 DHADRM CC[C@@H](Cc1cccc(-c2cc(F)ccc2CO)c1)C(=O)[O-] ZINC000563437490 1017171123 /nfs/dbraw/zinc/17/11/23/1017171123.db2.gz 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CCn1nc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1C1CC1 ZINC000278062850 1018020529 /nfs/dbraw/zinc/02/05/29/1018020529.db2.gz VBIAOHVDLHNBGZ-UHFFFAOYSA-N -1 0 323.755 3.531 20 0 DHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1 ZINC000183480101 1018025977 /nfs/dbraw/zinc/02/59/77/1018025977.db2.gz LAGZENOLKQEOHR-UHFFFAOYSA-N -1 0 315.335 3.756 20 0 DHADRM O=C(Cn1ccc2ccccc21)Nc1cccc(Cl)c1[O-] ZINC000172355129 1018038062 /nfs/dbraw/zinc/03/80/62/1018038062.db2.gz XIJXJDYPAJVILE-UHFFFAOYSA-N -1 0 300.745 3.639 20 0 DHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000172356920 1018038142 /nfs/dbraw/zinc/03/81/42/1018038142.db2.gz IKXYDLBUXBWDSS-UHFFFAOYSA-N -1 0 323.751 3.981 20 0 DHADRM Cc1cccnc1[C@H](NC(=O)c1c([O-])cc(F)cc1F)C(C)C ZINC000176383887 1018048369 /nfs/dbraw/zinc/04/83/69/1018048369.db2.gz MNRFARUIMFREIB-OAHLLOKOSA-N -1 0 320.339 3.501 20 0 DHADRM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC000701480480 1018063562 /nfs/dbraw/zinc/06/35/62/1018063562.db2.gz 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Cc1ncsc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000237659530 1022488523 /nfs/dbraw/zinc/48/85/23/1022488523.db2.gz SIXLKCCCBGMPNT-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000263348433 1022503225 /nfs/dbraw/zinc/50/32/25/1022503225.db2.gz ZXNLMHJDYIVCOB-RIEGTJTDSA-N -1 0 323.820 3.654 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC2CC1(c1ccccc1)C2 ZINC000621014443 1022509779 /nfs/dbraw/zinc/50/97/79/1022509779.db2.gz QNVJTIBHNCGBKG-UHFFFAOYSA-N -1 0 313.784 3.807 20 0 DHADRM Oc1cccnc1CNc1cccc2ncc(C(F)(F)F)cc21 ZINC001169732601 1022525571 /nfs/dbraw/zinc/52/55/71/1022525571.db2.gz MNCAACFGMZLBRU-UHFFFAOYSA-N -1 0 319.286 3.966 20 0 DHADRM Oc1cccnc1CNc1cc(Cl)nc2c(F)cc(F)cc12 ZINC001169731992 1022526455 /nfs/dbraw/zinc/52/64/55/1022526455.db2.gz VTECKZYBNSZDEE-UHFFFAOYSA-N -1 0 321.714 3.879 20 0 DHADRM CN(C[C@H]1CC1(C)C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000621043008 1022529962 /nfs/dbraw/zinc/52/99/62/1022529962.db2.gz AIODPXPVAYNEMB-SECBINFHSA-N -1 0 301.308 3.529 20 0 DHADRM CC1(C)C[C@@H](N=c2[n-]nc(C3CC3)s2)c2cc(F)ccc2O1 ZINC000651415924 1022556969 /nfs/dbraw/zinc/55/69/69/1022556969.db2.gz REALLRNLNYAYKF-GFCCVEGCSA-N -1 0 319.405 3.691 20 0 DHADRM Cc1cc(Nc2ccnn2-c2ccccc2F)ccc1C(=O)[O-] ZINC001211653027 1022627800 /nfs/dbraw/zinc/62/78/00/1022627800.db2.gz XJNZAUAOZGKQFX-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000767171328 1022653188 /nfs/dbraw/zinc/65/31/88/1022653188.db2.gz WCNDSTHXDZXACW-WBVHZDCISA-N -1 0 319.445 3.886 20 0 DHADRM Cc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000071891423 1022717073 /nfs/dbraw/zinc/71/70/73/1022717073.db2.gz ZHGGLASCWOLKRD-UHFFFAOYSA-N -1 0 311.366 3.559 20 0 DHADRM O=C([N-]c1c(F)ccnc1F)c1c(F)ccc(F)c1Cl ZINC001129367290 1022722343 /nfs/dbraw/zinc/72/23/43/1022722343.db2.gz OLMHQQIGNQSBJC-UHFFFAOYSA-N -1 0 304.630 3.544 20 0 DHADRM C[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)[C@H](C)C(=O)[O-] ZINC000263505453 1022725235 /nfs/dbraw/zinc/72/52/35/1022725235.db2.gz ZXGZRLFDVQBWFR-FSOQPWQOSA-N -1 0 317.429 3.576 20 0 DHADRM N#Cc1ccc([O-])c(NC(=O)c2scnc2C2CCCC2)c1 ZINC000184174520 1022755594 /nfs/dbraw/zinc/75/55/94/1022755594.db2.gz DKYRTAIQWAZNDK-UHFFFAOYSA-N -1 0 313.382 3.630 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](C2CCC2)C1 ZINC000856174520 1022765488 /nfs/dbraw/zinc/76/54/88/1022765488.db2.gz ZJCGIWZHTXGLAC-ZDUSSCGKSA-N -1 0 316.426 3.769 20 0 DHADRM C[C@@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000417539630 1022777514 /nfs/dbraw/zinc/77/75/14/1022777514.db2.gz VVDHSWPXCJBYII-RYUDHWBXSA-N -1 0 312.479 3.810 20 0 DHADRM CC(C)(C)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621544993 1022789572 /nfs/dbraw/zinc/78/95/72/1022789572.db2.gz HMTUFIMUTFBKRI-INIZCTEOSA-N -1 0 317.429 3.530 20 0 DHADRM CCCC[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621538005 1022789596 /nfs/dbraw/zinc/78/95/96/1022789596.db2.gz CUWWKRZALWNGMH-INIZCTEOSA-N -1 0 321.417 3.575 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)CCC1CCCC1 ZINC000621588321 1022794895 /nfs/dbraw/zinc/79/48/95/1022794895.db2.gz VYLLEMUGHHEXNC-DLBZAZTESA-N -1 0 315.413 3.774 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579415 1022795603 /nfs/dbraw/zinc/79/56/03/1022795603.db2.gz IILLLQWRNSSJAS-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM COC[C@@H](C)Oc1cccc(-c2scc(C(=O)[O-])c2C)c1 ZINC000584848770 1022808479 /nfs/dbraw/zinc/80/84/79/1022808479.db2.gz AUIJUOVXEBLTQM-SNVBAGLBSA-N -1 0 306.383 3.835 20 0 DHADRM C[C@@H]1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1Cl ZINC000042781516 1022913527 /nfs/dbraw/zinc/91/35/27/1022913527.db2.gz LEQZDVPAJGGIFO-MRVPVSSYSA-N -1 0 308.790 3.618 20 0 DHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)CCCCC(=O)[O-])C1 ZINC000263571507 1022952054 /nfs/dbraw/zinc/95/20/54/1022952054.db2.gz JLWKIPFBOILORD-MRXNPFEDSA-N -1 0 317.429 3.851 20 0 DHADRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cl)n2)n1 ZINC000181168801 1022971093 /nfs/dbraw/zinc/97/10/93/1022971093.db2.gz JMMNKXQCTKQIHI-SECBINFHSA-N -1 0 305.790 3.805 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCC3)c3ccccc32)s1 ZINC000263577302 1022992554 /nfs/dbraw/zinc/99/25/54/1022992554.db2.gz RJZSMFICKRQMHS-UHFFFAOYSA-N -1 0 313.378 3.528 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)c1ccc(Br)c(O)c1 ZINC000617570368 1022997042 /nfs/dbraw/zinc/99/70/42/1022997042.db2.gz PHRNQWAYNODYBP-SECBINFHSA-N -1 0 314.223 3.709 20 0 DHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]OC1CCCC1 ZINC000857480168 1023016592 /nfs/dbraw/zinc/01/65/92/1023016592.db2.gz BLKHONOOUCSAGH-HNNXBMFYSA-N -1 0 311.809 3.734 20 0 DHADRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[N-]OC1CCCC1 ZINC000857480384 1023019152 /nfs/dbraw/zinc/01/91/52/1023019152.db2.gz GTHXPFBIXCFJIH-OAHLLOKOSA-N -1 0 311.809 3.734 20 0 DHADRM C[C@H]1c2ccsc2CCN1C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000386835039 1023080399 /nfs/dbraw/zinc/08/03/99/1023080399.db2.gz SHHQOYOMPKCGPQ-LBPRGKRZSA-N -1 0 321.442 3.619 20 0 DHADRM COc1cccc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000622272641 1023091414 /nfs/dbraw/zinc/09/14/14/1023091414.db2.gz AAGBNIWJEMDQCV-UHFFFAOYSA-N -1 0 311.259 3.672 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000622293967 1023100289 /nfs/dbraw/zinc/10/02/89/1023100289.db2.gz CRKQXDAMLBTJMX-UHFFFAOYSA-N -1 0 324.833 3.863 20 0 DHADRM Cc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000622311094 1023103078 /nfs/dbraw/zinc/10/30/78/1023103078.db2.gz KKXFKKSWPJPCPX-UHFFFAOYSA-N -1 0 315.316 3.711 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769241879 1023105701 /nfs/dbraw/zinc/10/57/01/1023105701.db2.gz KUXHBWRDPNOJOA-UHFFFAOYSA-N -1 0 302.330 3.816 20 0 DHADRM Cc1cccc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769247198 1023108755 /nfs/dbraw/zinc/10/87/55/1023108755.db2.gz GAWANSQVHHFERA-UHFFFAOYSA-N -1 0 312.394 3.996 20 0 DHADRM Cc1cc(Nc2c(O)cccc2Br)ccc1C(=O)[O-] ZINC001211657437 1023116079 /nfs/dbraw/zinc/11/60/79/1023116079.db2.gz NGZVVOQWKZNPQG-UHFFFAOYSA-N -1 0 322.158 3.905 20 0 DHADRM CCC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C1CCCCC1 ZINC000622351882 1023123636 /nfs/dbraw/zinc/12/36/36/1023123636.db2.gz ICWOVYUDYYGSIG-SNVBAGLBSA-N -1 0 316.854 3.981 20 0 DHADRM COc1c(C)ccc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000769697520 1023197351 /nfs/dbraw/zinc/19/73/51/1023197351.db2.gz SUYZIFHWFSFNOQ-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM Cc1ccc(N(C)C(=O)c2cccc(Br)c2[O-])cc1 ZINC000769748219 1023209324 /nfs/dbraw/zinc/20/93/24/1023209324.db2.gz DCXJLDVKDSRXEW-UHFFFAOYSA-N -1 0 320.186 3.740 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC=CCC1 ZINC000909332756 1023220073 /nfs/dbraw/zinc/22/00/73/1023220073.db2.gz SBZCCIDKYBEULZ-SFHVURJKSA-N -1 0 317.385 3.615 20 0 DHADRM Cc1cc(Nc2ccc(O)cc2Br)ccc1C(=O)[O-] ZINC001211660572 1023329710 /nfs/dbraw/zinc/32/97/10/1023329710.db2.gz ANHKDQQBOKAPAN-UHFFFAOYSA-N -1 0 322.158 3.905 20 0 DHADRM CO[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(C)c3)cccc21 ZINC001211661025 1023340892 /nfs/dbraw/zinc/34/08/92/1023340892.db2.gz YRRMRPGCWINFOW-MRXNPFEDSA-N -1 0 313.353 3.907 20 0 DHADRM CCCCC[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-] ZINC000909346637 1023368535 /nfs/dbraw/zinc/36/85/35/1023368535.db2.gz LNJBIHWTWUHECI-SNVBAGLBSA-N -1 0 311.344 3.505 20 0 DHADRM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(F)c1[O-] ZINC001125984301 1023380453 /nfs/dbraw/zinc/38/04/53/1023380453.db2.gz LVSGMBIIPOLVDW-INIZCTEOSA-N -1 0 317.335 3.942 20 0 DHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(C)c2)c1Cl ZINC001211663482 1023437350 /nfs/dbraw/zinc/43/73/50/1023437350.db2.gz LSEOXHCYZSMPSV-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN(c2nc(-c3ccccc3)cs2)C1 ZINC000062874307 1023500058 /nfs/dbraw/zinc/50/00/58/1023500058.db2.gz SPLBTBLSJIULRU-MRXNPFEDSA-N -1 0 302.399 3.501 20 0 DHADRM CCc1ccccc1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000785608956 1023594090 /nfs/dbraw/zinc/59/40/90/1023594090.db2.gz XKYGSUOYWCWBSL-UHFFFAOYSA-N -1 0 312.394 3.860 20 0 DHADRM Cc1cc(C(F)(F)F)cc(N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000662877973 1023634588 /nfs/dbraw/zinc/63/45/88/1023634588.db2.gz JXEBGVMWFYBSSX-CYBMUJFWSA-N -1 0 324.302 3.517 20 0 DHADRM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)c2cccc(F)c2n1 ZINC000662887404 1023644187 /nfs/dbraw/zinc/64/41/87/1023644187.db2.gz HFLIJVYDBQMWTE-CYBMUJFWSA-N -1 0 316.376 3.764 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2cc(F)c(Cl)cc21 ZINC000662893177 1023652760 /nfs/dbraw/zinc/65/27/60/1023652760.db2.gz JAGBMRMYVXZKTC-ZJUUUORDSA-N -1 0 322.767 3.717 20 0 DHADRM CSc1ccncc1[N-]C(=S)N[C@H](C)Cc1ccccc1 ZINC000786088232 1023658109 /nfs/dbraw/zinc/65/81/09/1023658109.db2.gz YGHHSGGMNJWCMT-GFCCVEGCSA-N -1 0 317.483 3.721 20 0 DHADRM CC(=O)c1ccc(O)c(CCOC(=O)c2csc(Cl)c2)c1 ZINC000786351678 1023681765 /nfs/dbraw/zinc/68/17/65/1023681765.db2.gz VVLVNRZUFKQJLA-UHFFFAOYSA-N -1 0 324.785 3.709 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000909370399 1023684910 /nfs/dbraw/zinc/68/49/10/1023684910.db2.gz MIIKLWQIJPQVFZ-BMSUMIBZSA-N -1 0 309.793 3.718 20 0 DHADRM [O-]c1c(Cl)cc(-c2cnc(OCC3CC3)cn2)cc1Cl ZINC001242854315 1023696677 /nfs/dbraw/zinc/69/66/77/1023696677.db2.gz AQRXMYAUGFHBOH-UHFFFAOYSA-N -1 0 311.168 3.945 20 0 DHADRM COC(=O)c1nc(-c2cccc([S-])c2)ccc1C(F)(F)F ZINC001242865374 1023709334 /nfs/dbraw/zinc/70/93/34/1023709334.db2.gz BWYAHTOEEBCNOL-UHFFFAOYSA-N -1 0 313.300 3.843 20 0 DHADRM C[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000746595645 1023713324 /nfs/dbraw/zinc/71/33/24/1023713324.db2.gz SZMOCILSWSAVTK-RNCFNFMXSA-N -1 0 318.200 3.671 20 0 DHADRM COc1ccc(C)cc1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000605888330 1023766706 /nfs/dbraw/zinc/76/67/06/1023766706.db2.gz QNROORYZOHJZSC-UHFFFAOYSA-N -1 0 305.761 3.544 20 0 DHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@H]1c1ccccn1 ZINC000538743488 1033164058 /nfs/dbraw/zinc/16/40/58/1033164058.db2.gz IHQYCMSLTXBKMC-SFHVURJKSA-N -1 0 318.376 3.918 20 0 DHADRM CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000048653076 1023802582 /nfs/dbraw/zinc/80/25/82/1023802582.db2.gz SMAAAQOZAIICHL-UHFFFAOYSA-N -1 0 313.781 3.842 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)s1 ZINC000048655345 1023803189 /nfs/dbraw/zinc/80/31/89/1023803189.db2.gz PODMOEPTJUYXBM-UHFFFAOYSA-N -1 0 319.810 3.904 20 0 DHADRM CC(C)(NC(=O)c1cccc(Cl)c1[O-])c1cccc(F)c1 ZINC001126174389 1023813938 /nfs/dbraw/zinc/81/39/38/1023813938.db2.gz UEIBFEYFEFSXPE-UHFFFAOYSA-N -1 0 307.752 3.850 20 0 DHADRM C[C@@H](CCC(C)(C)C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000605920961 1023872882 /nfs/dbraw/zinc/87/28/82/1023872882.db2.gz UCOHRGZUMVWYCV-JTQLQIEISA-N -1 0 312.483 3.594 20 0 DHADRM CCCCCC[C@](C)(NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000788315148 1023873550 /nfs/dbraw/zinc/87/35/50/1023873550.db2.gz OHHHSGPDJLTXDQ-KRWDZBQOSA-N -1 0 322.405 3.630 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000788315488 1023873636 /nfs/dbraw/zinc/87/36/36/1023873636.db2.gz VHSLFVAVXVYSKR-QGZVFWFLSA-N -1 0 322.405 3.630 20 0 DHADRM CCCCc1ccc(N(C)C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000788732828 1023932520 /nfs/dbraw/zinc/93/25/20/1023932520.db2.gz JOYBGXYHJWAPPF-UHFFFAOYSA-N -1 0 303.402 3.637 20 0 DHADRM CC1(C)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC(C)(C)C1 ZINC000659190600 1023945124 /nfs/dbraw/zinc/94/51/24/1023945124.db2.gz OXAAOCSHZZJTIS-UHFFFAOYSA-N -1 0 323.477 3.942 20 0 DHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000663227974 1023946228 /nfs/dbraw/zinc/94/62/28/1023946228.db2.gz BZCPCAXOUBYMGX-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM C[C@]1(F)CCCN(C(=O)c2c(O)cnc3ccc(Cl)cc32)C1 ZINC000452209531 1024013840 /nfs/dbraw/zinc/01/38/40/1024013840.db2.gz SAUDPCXQBZLUJD-INIZCTEOSA-N -1 0 322.767 3.558 20 0 DHADRM Cc1cc(=O)[nH]c(CSCCSCc2ccccc2)n1 ZINC000790448880 1024305381 /nfs/dbraw/zinc/30/53/81/1024305381.db2.gz FEGKISBVSUIORU-UHFFFAOYSA-N -1 0 306.456 3.657 20 0 DHADRM O=C([O-])/C=C\c1cnc(/C=C/c2ccnn2-c2ccccc2)s1 ZINC000790600284 1024334395 /nfs/dbraw/zinc/33/43/95/1024334395.db2.gz JLOFFNNHLGAHDW-FFELTBSMSA-N -1 0 323.377 3.597 20 0 DHADRM CC(=O)Nc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC001206038646 1024360066 /nfs/dbraw/zinc/36/00/66/1024360066.db2.gz 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Cn1nc(C(=O)[O-])cc1CNc1ccc(SC(C)(C)C)cc1 ZINC000874039570 1031967664 /nfs/dbraw/zinc/96/76/64/1031967664.db2.gz OUAOUIQRCQAPGS-UHFFFAOYSA-N -1 0 319.430 3.621 20 0 DHADRM COc1cc(C)cc(C(=O)Nc2cc(F)cc(F)c2O)c1C ZINC001142545823 1031996359 /nfs/dbraw/zinc/99/63/59/1031996359.db2.gz KBYLSXKOVIWTKD-UHFFFAOYSA-N -1 0 307.296 3.548 20 0 DHADRM Cc1ccc(C2(NC(=O)c3cc(F)c([O-])c(F)c3)CCC2)cc1 ZINC001144861336 1031997865 /nfs/dbraw/zinc/99/78/65/1031997865.db2.gz AVIXNXHAZNYCPM-UHFFFAOYSA-N -1 0 317.335 3.788 20 0 DHADRM COc1ccc(S[C@@H](C)C(=O)[N-]OC2CCCCC2)cc1 ZINC000777950043 1032011048 /nfs/dbraw/zinc/01/10/48/1032011048.db2.gz RMTZIMBCHYRHLT-LBPRGKRZSA-N -1 0 309.431 3.556 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1Cc2ccccc2C1 ZINC000561662295 1032015694 /nfs/dbraw/zinc/01/56/94/1032015694.db2.gz JNUNFJHDTGRPIR-UHFFFAOYSA-N -1 0 305.736 3.538 20 0 DHADRM CSc1ccc(O[C@@H](C)C(=O)[N-]OC2CCCCC2)cc1 ZINC000777957081 1032042937 /nfs/dbraw/zinc/04/29/37/1032042937.db2.gz DXXIOFXUZCNRIR-LBPRGKRZSA-N -1 0 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ZINC001174683054 1034548259 /nfs/dbraw/zinc/54/82/59/1034548259.db2.gz QTZSENQQGMUUIV-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2cc3ccccc3cc2O)ccc1C(=O)[O-] ZINC001174685262 1034549450 /nfs/dbraw/zinc/54/94/50/1034549450.db2.gz NXYVVBBNNMTMDJ-UHFFFAOYSA-N -1 0 309.321 3.996 20 0 DHADRM CCOc1c(F)cccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685902 1034549870 /nfs/dbraw/zinc/54/98/70/1034549870.db2.gz CNDSDUSBQMFVLE-UHFFFAOYSA-N -1 0 305.305 3.675 20 0 DHADRM CC1(C)CCCC[C@@H]1n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899354300 1034590490 /nfs/dbraw/zinc/59/04/90/1034590490.db2.gz DZRKJUQTNNGWQC-QWRGUYRKSA-N -1 0 302.340 3.742 20 0 DHADRM O=c1cc(C2CCOCC2)[n-]n1-c1cc(Cl)cc(Cl)c1 ZINC000899348707 1034592578 /nfs/dbraw/zinc/59/25/78/1034592578.db2.gz HVUGRRXJFQOKPZ-UHFFFAOYSA-N -1 0 313.184 3.513 20 0 DHADRM CC(C)c1ccc([C@H](C)n2[n-]c(-c3ccncc3)cc2=O)cc1 ZINC000899359564 1034603266 /nfs/dbraw/zinc/60/32/66/1034603266.db2.gz BZMLQWFIDUIMLR-AWEZNQCLSA-N -1 0 307.397 3.903 20 0 DHADRM 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3.506 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2O)s1 ZINC001174810780 1034635636 /nfs/dbraw/zinc/63/56/36/1034635636.db2.gz SODTVWOJKVWZTH-UHFFFAOYSA-N -1 0 314.160 3.658 20 0 DHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186834262 1034663534 /nfs/dbraw/zinc/66/35/34/1034663534.db2.gz DFSPGISAQHZGJQ-AWEZNQCLSA-N -1 0 319.351 3.764 20 0 DHADRM O=S(=O)([O-])c1ccc(Nc2cccc(O)c2)c2ccccc21 ZINC001174893541 1034665592 /nfs/dbraw/zinc/66/55/92/1034665592.db2.gz GANUYTDTBWIXPF-UHFFFAOYSA-N -1 0 315.350 3.536 20 0 DHADRM [S-]c1ccc(Cl)cc1Nc1ccc(N2CCOCC2)nc1 ZINC001174976727 1034692796 /nfs/dbraw/zinc/69/27/96/1034692796.db2.gz FJBBZRHOQLYRTP-UHFFFAOYSA-N -1 0 321.833 3.604 20 0 DHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)cnc1Br ZINC001174948151 1034702494 /nfs/dbraw/zinc/70/24/94/1034702494.db2.gz WRHSDWFAYFFXLB-UHFFFAOYSA-N -1 0 321.174 3.523 20 0 DHADRM Cc1cc(Br)ncc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947250 1034703008 /nfs/dbraw/zinc/70/30/08/1034703008.db2.gz HRYKELWTKJZPNZ-UHFFFAOYSA-N -1 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ZINC001175161310 1034825399 /nfs/dbraw/zinc/82/53/99/1034825399.db2.gz FIBGZGORFQVYLF-UHFFFAOYSA-N -1 0 317.707 3.864 20 0 DHADRM COC(=O)c1cc(C)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175162419 1034849127 /nfs/dbraw/zinc/84/91/27/1034849127.db2.gz ZEURHPXSGVOSIA-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM Cc1ccc(C)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175165599 1034852276 /nfs/dbraw/zinc/85/22/76/1034852276.db2.gz WBCNLAYQDYEJQV-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM O=C([O-])c1cc(Nc2cc(Cl)c3nccn3c2)ccc1F ZINC001175216480 1034870597 /nfs/dbraw/zinc/87/05/97/1034870597.db2.gz AATALQGFHADUHI-UHFFFAOYSA-N -1 0 305.696 3.569 20 0 DHADRM COC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC001175219189 1034871035 /nfs/dbraw/zinc/87/10/35/1034871035.db2.gz YDOHTVSIFTYDJM-UHFFFAOYSA-N -1 0 323.707 3.708 20 0 DHADRM CCC(=O)Nc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175218454 1034871215 /nfs/dbraw/zinc/87/12/15/1034871215.db2.gz DSGUHIQFPMZLQY-UHFFFAOYSA-N -1 0 302.305 3.616 20 0 DHADRM 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323.801 3.755 20 0 DHADRM CC(=O)OCc1cccc(Cl)c1[N-]c1nnc(C(C)(C)C)o1 ZINC001212773954 1035236384 /nfs/dbraw/zinc/23/63/84/1035236384.db2.gz FDLSEFFMPZYTHY-UHFFFAOYSA-N -1 0 323.780 3.827 20 0 DHADRM Cc1ccccc1-c1cc(Nc2csc(C(=O)[O-])c2)n(C)n1 ZINC001176435884 1035262860 /nfs/dbraw/zinc/26/28/60/1035262860.db2.gz GEIAITODKCGNFD-UHFFFAOYSA-N -1 0 313.382 3.899 20 0 DHADRM COC(=O)c1cc(Cl)sc1Nc1csc(C(=O)[O-])c1 ZINC001176437404 1035264175 /nfs/dbraw/zinc/26/41/75/1035264175.db2.gz YREFUXKALBXYPR-UHFFFAOYSA-N -1 0 317.775 3.691 20 0 DHADRM O=C([O-])c1cc(Nc2ccc(Oc3ncccn3)cc2)cs1 ZINC001176438997 1035264207 /nfs/dbraw/zinc/26/42/07/1035264207.db2.gz GFUBIXZJWRLLPB-UHFFFAOYSA-N -1 0 313.338 3.772 20 0 DHADRM Cc1nccn1Cc1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176439094 1035264218 /nfs/dbraw/zinc/26/42/18/1035264218.db2.gz JVXGXNMXKJQKBI-UHFFFAOYSA-N -1 0 313.382 3.743 20 0 DHADRM Nc1cc(Nc2csc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001176439602 1035264819 /nfs/dbraw/zinc/26/48/19/1035264819.db2.gz 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FRWQWWZIXOIGBS-UHFFFAOYSA-N -1 0 324.471 3.887 20 0 DHADRM O=C([O-])CC1CC(Nc2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000906152482 1035795732 /nfs/dbraw/zinc/79/57/32/1035795732.db2.gz RKYKHJQTDFUABH-UHFFFAOYSA-N -1 0 324.302 3.919 20 0 DHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(O)c(F)c1F ZINC001180970965 1035798819 /nfs/dbraw/zinc/79/88/19/1035798819.db2.gz XVDMEHLAIQMBTD-PSASIEDQSA-N -1 0 309.278 3.833 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000519605036 1035851449 /nfs/dbraw/zinc/85/14/49/1035851449.db2.gz DYCOWRATFWTWJI-CQSZACIVSA-N -1 0 312.365 3.776 20 0 DHADRM O=C([O-])[C@@H]1[C@@H]2Cc3c(cccc3-c3cncc(C(F)F)c3)[C@@H]21 ZINC000906243750 1035856044 /nfs/dbraw/zinc/85/60/44/1035856044.db2.gz APNSZOVCOWORAE-QLFBSQMISA-N -1 0 301.292 3.657 20 0 DHADRM Cc1ccc(-c2c(C(=O)[O-])nn3c2CCC3)cc1C(F)(F)F ZINC000906247655 1035860600 /nfs/dbraw/zinc/86/06/00/1035860600.db2.gz LUUMTPMIPSXCBM-UHFFFAOYSA-N -1 0 310.275 3.522 20 0 DHADRM O=C([O-])[C@@H]1[C@@H]2Cc3cc(-c4cncc(C(F)(F)F)c4)ccc3[C@@H]21 ZINC000906250721 1035861628 /nfs/dbraw/zinc/86/16/28/1035861628.db2.gz PGPXYAFEPOHHJW-QLFBSQMISA-N -1 0 319.282 3.738 20 0 DHADRM CCN(C(=O)C1=C(C(=O)[O-])CCCC1)[C@H](C)c1ccc(F)cc1 ZINC000324017985 1035864539 /nfs/dbraw/zinc/86/45/39/1035864539.db2.gz PKVWPMWOGXGMBY-GFCCVEGCSA-N -1 0 319.376 3.690 20 0 DHADRM Cc1c(-c2ccccc2OC[C@H]2CCOC2)csc1C(=O)[O-] ZINC000906239942 1035873879 /nfs/dbraw/zinc/87/38/79/1035873879.db2.gz KNAWSVYTMATRDT-LBPRGKRZSA-N -1 0 318.394 3.837 20 0 DHADRM CCCOc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])c(F)c1 ZINC000906241597 1035874441 /nfs/dbraw/zinc/87/44/41/1035874441.db2.gz PSMACFKNJDZJAA-UHFFFAOYSA-N -1 0 306.337 3.757 20 0 DHADRM CCc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1O ZINC000539874578 1035914942 /nfs/dbraw/zinc/91/49/42/1035914942.db2.gz WTGNSSJHNMCFEX-UHFFFAOYSA-N -1 0 319.351 3.862 20 0 DHADRM O=C(Nc1ccc2c(c1)CCC2)c1cc(F)c(F)c([O-])c1F ZINC000193918720 1035950453 /nfs/dbraw/zinc/95/04/53/1035950453.db2.gz LFPLHUAGBVHZBC-UHFFFAOYSA-N -1 0 307.271 3.551 20 0 DHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(Cl)s1 ZINC001194609820 1035961193 /nfs/dbraw/zinc/96/11/93/1035961193.db2.gz LIZOWQUYRPEJGA-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM CCc1oc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC000761724999 1036014892 /nfs/dbraw/zinc/01/48/92/1036014892.db2.gz AHRJOMFUVVEVGN-UHFFFAOYSA-N -1 0 307.733 3.754 20 0 DHADRM CC[C@H](C)COC(=O)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001194762968 1036029176 /nfs/dbraw/zinc/02/91/76/1036029176.db2.gz GCRNVGZDZHNVGV-YFKPBYRVSA-N -1 0 311.140 3.828 20 0 DHADRM O=C([O-])c1cccc2oc(/C=C/c3c(F)ccc(O)c3F)nc21 ZINC000485983793 1036068791 /nfs/dbraw/zinc/06/87/91/1036068791.db2.gz WTDRTLDPPZHXLG-QPJJXVBHSA-N -1 0 317.247 3.680 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000486058847 1036111258 /nfs/dbraw/zinc/11/12/58/1036111258.db2.gz LWDHBSLYJDRYNR-LLDVTBCESA-N -1 0 317.429 3.781 20 0 DHADRM Cn1cnc2cc(/C=C/c3nc4ccc(C(=O)[O-])cc4o3)ccc21 ZINC000486074883 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ZINC000417623197 335018146 /nfs/dbraw/zinc/01/81/46/335018146.db2.gz OZWSCUPCEPULFR-MRXNPFEDSA-N -1 0 319.426 3.567 20 0 DHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000019815745 182153263 /nfs/dbraw/zinc/15/32/63/182153263.db2.gz FZDRYOABBBSXIF-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM Cc1cnc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)s1 ZINC000417654800 335030945 /nfs/dbraw/zinc/03/09/45/335030945.db2.gz IXVBMHPPNQMACY-JTQLQIEISA-N -1 0 308.428 3.629 20 0 DHADRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)oc1CC ZINC000192871173 335037085 /nfs/dbraw/zinc/03/70/85/335037085.db2.gz XETSXBNGLKADHT-UHFFFAOYSA-N -1 0 301.342 3.663 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000192889106 335037344 /nfs/dbraw/zinc/03/73/44/335037344.db2.gz QXUSUGDGPNVJBH-YCPHGPKFSA-N -1 0 305.418 3.781 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000192885346 335037432 /nfs/dbraw/zinc/03/74/32/335037432.db2.gz FDPKQBDLNUNZDB-SWLSCSKDSA-N -1 0 309.381 3.674 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1C(=O)[O-] ZINC000192891431 335037819 /nfs/dbraw/zinc/03/78/19/335037819.db2.gz MEMZEADEJGEMEA-YLJYHZDGSA-N -1 0 321.376 3.536 20 0 DHADRM Cc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000192947052 335038213 /nfs/dbraw/zinc/03/82/13/335038213.db2.gz QFCRKPFGSVYRRN-QGZVFWFLSA-N -1 0 323.392 3.533 20 0 DHADRM O=C([O-])c1coc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000183753477 335042353 /nfs/dbraw/zinc/04/23/53/335042353.db2.gz JRWDSMYVYKDSSF-AWEZNQCLSA-N -1 0 319.744 3.512 20 0 DHADRM CCCCc1ccc(N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183815237 335044668 /nfs/dbraw/zinc/04/46/68/335044668.db2.gz VLESOMWETVGKTI-UHFFFAOYSA-N -1 0 301.342 3.597 20 0 DHADRM COC(=O)c1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000065354492 184326869 /nfs/dbraw/zinc/32/68/69/184326869.db2.gz AQPUTNRPGWIGOZ-UHFFFAOYSA-N -1 0 308.692 3.631 20 0 DHADRM CCC(CC)(CC(=O)Nc1cccc(SC)c1C)C(=O)[O-] ZINC000271641248 129943483 /nfs/dbraw/zinc/94/34/83/129943483.db2.gz 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CN(Cc1ccc(NCC2=Cc3ccccc3OC2)cc1)C(=O)[O-] ZINC000737485771 600329171 /nfs/dbraw/zinc/32/91/71/600329171.db2.gz FIKMRKGMMQCXIG-UHFFFAOYSA-N -1 0 324.380 3.684 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCCC[C@H]1C(C)C ZINC000395936689 600329582 /nfs/dbraw/zinc/32/95/82/600329582.db2.gz TXFDAYPTBQVUQN-HNNXBMFYSA-N -1 0 304.390 3.736 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000736940490 600339227 /nfs/dbraw/zinc/33/92/27/600339227.db2.gz RUCJBNCABMCTRQ-NSHDSACASA-N -1 0 323.368 3.960 20 0 DHADRM CC[C@H](Sc1[nH]c(=O)nc(C)c1C(=O)[O-])c1ccc(F)cc1 ZINC000736929747 600361615 /nfs/dbraw/zinc/36/16/15/600361615.db2.gz UIOGTMLXDRTSRX-NSHDSACASA-N -1 0 322.361 3.571 20 0 DHADRM Cc1cc(NC(=O)[C@H]2CSc3ccccc32)sc1C(=O)[O-] ZINC000092237348 600368620 /nfs/dbraw/zinc/36/86/20/600368620.db2.gz RRPNVWCCBFJQLS-JTQLQIEISA-N -1 0 319.407 3.583 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C)c(Cl)c2)sc1C(=O)[O-] ZINC000063021103 600369453 /nfs/dbraw/zinc/36/94/53/600369453.db2.gz KHCIWSSVALOEBW-UHFFFAOYSA-N -1 0 309.774 3.969 20 0 DHADRM Cc1cc(NC(=O)C[C@H]2CCc3ccccc32)sc1C(=O)[O-] ZINC000738229463 600369606 /nfs/dbraw/zinc/36/96/06/600369606.db2.gz BONUVNVNPBQRRV-GFCCVEGCSA-N -1 0 315.394 3.813 20 0 DHADRM Cc1cc(NC(=O)c2sccc2C2CC2)sc1C(=O)[O-] ZINC000738452075 600370360 /nfs/dbraw/zinc/37/03/60/600370360.db2.gz HOOQPBBIVBGKHP-UHFFFAOYSA-N -1 0 307.396 3.946 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])C(C)C)cc1 ZINC000362338222 600375321 /nfs/dbraw/zinc/37/53/21/600375321.db2.gz CJJGXHYUQMHICT-AWEZNQCLSA-N -1 0 305.418 3.625 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000679394355 600376755 /nfs/dbraw/zinc/37/67/55/600376755.db2.gz MUSFCHODIMYSIM-WMLDXEAASA-N -1 0 317.429 3.598 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136142118 600377593 /nfs/dbraw/zinc/37/75/93/600377593.db2.gz DXPMXFYGQYSSFK-WMLDXEAASA-N -1 0 317.429 3.627 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N(C)C(C)(C)C(=O)[O-])cc1 ZINC000362330732 600378418 /nfs/dbraw/zinc/37/84/18/600378418.db2.gz URIHYELJYHEZEP-CYBMUJFWSA-N -1 0 305.418 3.625 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)CCC1CCCC1)c1ccccc1 ZINC000736850154 600378543 /nfs/dbraw/zinc/37/85/43/600378543.db2.gz TYYDKOUHSOVMLF-MRXNPFEDSA-N -1 0 303.402 3.853 20 0 DHADRM CC(C)(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621564877 600379144 /nfs/dbraw/zinc/37/91/44/600379144.db2.gz YNXBVFNKZHGYJG-UHFFFAOYSA-N -1 0 315.316 3.751 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000736850624 600379192 /nfs/dbraw/zinc/37/91/92/600379192.db2.gz XLPNYYBCAFXMIX-NJWFCXLTSA-N -1 0 309.365 3.596 20 0 DHADRM O=C([O-])[C@H](SC[C@@H](O)c1ccccc1)c1cccc(Cl)c1 ZINC000739512521 600379648 /nfs/dbraw/zinc/37/96/48/600379648.db2.gz NQTMGSJWQCZCHY-HUUCEWRRSA-N -1 0 322.813 3.933 20 0 DHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccsc1 ZINC000736217090 600380146 /nfs/dbraw/zinc/38/01/46/600380146.db2.gz UZGICPNPZRCSGJ-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000738454383 600379962 /nfs/dbraw/zinc/37/99/62/600379962.db2.gz PWTSHLPOPOMHSQ-MDZDMXLPSA-N -1 0 318.332 3.585 20 0 DHADRM CN(C(=O)CC/C=C\c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737318838 600380071 /nfs/dbraw/zinc/38/00/71/600380071.db2.gz VGNJLWJXBWXQGS-ICEKFOEVSA-N -1 0 323.392 3.764 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000236579838 600381482 /nfs/dbraw/zinc/38/14/82/600381482.db2.gz DLWYFLCYQUVRQV-UHFFFAOYSA-N -1 0 311.381 3.727 20 0 DHADRM CCC1CCC(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000390569318 600382874 /nfs/dbraw/zinc/38/28/74/600382874.db2.gz ODTVPGFLCPXELZ-UHFFFAOYSA-N -1 0 322.380 3.956 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736777252 600385879 /nfs/dbraw/zinc/38/58/79/600385879.db2.gz ZQBMRIRCMFWJAK-UKRRQHHQSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000736851728 600387617 /nfs/dbraw/zinc/38/76/17/600387617.db2.gz 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ZINC000675945637 600404478 /nfs/dbraw/zinc/40/44/78/600404478.db2.gz XHVABPXXMOLMEI-OAHLLOKOSA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262511033 600405520 /nfs/dbraw/zinc/40/55/20/600405520.db2.gz BJEMWSXQVSVFIE-AWEZNQCLSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236936437 600405576 /nfs/dbraw/zinc/40/55/76/600405576.db2.gz XRAYTBITXNFREN-INIZCTEOSA-N -1 0 317.429 3.950 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736564169 600406899 /nfs/dbraw/zinc/40/68/99/600406899.db2.gz ZFMHNBVIXQVCNK-GFCCVEGCSA-N -1 0 304.390 3.956 20 0 DHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000573259214 600409470 /nfs/dbraw/zinc/40/94/70/600409470.db2.gz MUQWSBQVVUXSJY-HIFRSBDPSA-N -1 0 305.761 3.896 20 0 DHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736778963 600411658 /nfs/dbraw/zinc/41/16/58/600411658.db2.gz HEYHCNDVJVUPFF-QWHCGFSZSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccccc2NC(=O)[O-])s1 ZINC000738589727 600414063 /nfs/dbraw/zinc/41/40/63/600414063.db2.gz SLKZSWZDJCWODB-JTQLQIEISA-N -1 0 318.398 3.507 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736626138 600425086 /nfs/dbraw/zinc/42/50/86/600425086.db2.gz KHBFMNXIUBLYPA-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM Cc1c(NC(=O)c2ncoc2-c2ccccc2)cccc1C(=O)[O-] ZINC000738305114 600426973 /nfs/dbraw/zinc/42/69/73/600426973.db2.gz GCECHFUTMCJFSO-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC(C)Sc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736500383 600430908 /nfs/dbraw/zinc/43/09/08/600430908.db2.gz VFMQGCSNJXOTSF-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000739224216 600437541 /nfs/dbraw/zinc/43/75/41/600437541.db2.gz XERUCKODCJPMTO-IFXJQAMLSA-N -1 0 324.376 3.551 20 0 DHADRM C[C@H](Cc1ccccc1)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736628509 600439073 /nfs/dbraw/zinc/43/90/73/600439073.db2.gz YLCZEQUZGUFSRM-LLVKDONJSA-N -1 0 318.756 3.822 20 0 DHADRM CSC[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738139108 600450902 /nfs/dbraw/zinc/45/09/02/600450902.db2.gz NEYRGWYCVIJDTI-QMMMGPOBSA-N -1 0 315.460 3.681 20 0 DHADRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000740289041 600455860 /nfs/dbraw/zinc/45/58/60/600455860.db2.gz CIWWUDNMDODWMC-ZDUSSCGKSA-N -1 0 324.254 3.746 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000740298288 600457933 /nfs/dbraw/zinc/45/79/33/600457933.db2.gz JPGABOGBRNPWAN-OAHLLOKOSA-N -1 0 314.268 3.555 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)CC1CCCC1 ZINC000736187337 600458895 /nfs/dbraw/zinc/45/88/95/600458895.db2.gz VRYITCRVGWBUKK-NSHDSACASA-N -1 0 318.369 3.709 20 0 DHADRM CC(C)c1csc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC000736522438 600465462 /nfs/dbraw/zinc/46/54/62/600465462.db2.gz HNNYDIZBCRXWQW-UHFFFAOYSA-N -1 0 314.366 3.886 20 0 DHADRM O=C([O-])c1ccoc1COC(=O)CC/C=C\c1ccccc1 ZINC000739236346 600466349 /nfs/dbraw/zinc/46/63/49/600466349.db2.gz SYBZPNALNTUHCV-YWEYNIOJSA-N -1 0 300.310 3.515 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736904022 600466497 /nfs/dbraw/zinc/46/64/97/600466497.db2.gz FVZMFQPSXDKSQD-GFCCVEGCSA-N -1 0 305.374 3.635 20 0 DHADRM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000736625860 600467690 /nfs/dbraw/zinc/46/76/90/600467690.db2.gz IBYOYZRMAQRIKA-MNOVXSKESA-N -1 0 320.316 3.600 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)c(C(=O)[O-])c1 ZINC000237705034 600475082 /nfs/dbraw/zinc/47/50/82/600475082.db2.gz RTNNKEGBHIRTTJ-ZDUSSCGKSA-N -1 0 313.378 3.521 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736881100 600475630 /nfs/dbraw/zinc/47/56/30/600475630.db2.gz WFTHITDEAYDSLZ-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000738198907 600476914 /nfs/dbraw/zinc/47/69/14/600476914.db2.gz HQQOZVXCPLRUIR-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237722073 600477962 /nfs/dbraw/zinc/47/79/62/600477962.db2.gz LSWYHTQDLOGVRY-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CCn1c(C)cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000237207517 600486393 /nfs/dbraw/zinc/48/63/93/600486393.db2.gz XZCYJOYUAQXLNW-UHFFFAOYSA-N -1 0 320.776 3.729 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000736903498 600490792 /nfs/dbraw/zinc/49/07/92/600490792.db2.gz KDTJHBJYKVKAFO-AWEZNQCLSA-N -1 0 313.353 3.951 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000736903513 600507873 /nfs/dbraw/zinc/50/78/73/600507873.db2.gz KGHGMSHLDYHPJL-CQSZACIVSA-N -1 0 316.353 3.598 20 0 DHADRM CCC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000048909038 600510268 /nfs/dbraw/zinc/51/02/68/600510268.db2.gz SRQQOGDVOFEUEZ-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000050227024 600514463 /nfs/dbraw/zinc/51/44/63/600514463.db2.gz SZFLLRRJOKPOIJ-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM CS[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000738181524 600523834 /nfs/dbraw/zinc/52/38/34/600523834.db2.gz LEHPDSHPAMTZJP-OAHLLOKOSA-N -1 0 315.394 3.736 20 0 DHADRM CCN(C(=O)c1cc(Cl)ccc1F)c1ccccc1C(=O)[O-] ZINC000737058099 600524354 /nfs/dbraw/zinc/52/43/54/600524354.db2.gz LSPNLTBNIKVGPZ-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000738689059 600525043 /nfs/dbraw/zinc/52/50/43/600525043.db2.gz CQQJVCSSWOMXPE-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM Cc1cccc([C@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000738690348 600526745 /nfs/dbraw/zinc/52/67/45/600526745.db2.gz IAMCVVAIZIQFNU-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM CSCCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738189813 600528015 /nfs/dbraw/zinc/52/80/15/600528015.db2.gz BQQSYCXRRUKQPB-UHFFFAOYSA-N -1 0 301.795 3.510 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000675985476 600531896 /nfs/dbraw/zinc/53/18/96/600531896.db2.gz BPEKDGLIKHQGRQ-CYBMUJFWSA-N -1 0 323.389 3.578 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC000740124663 600542333 /nfs/dbraw/zinc/54/23/33/600542333.db2.gz ZDEAZHUDODAQJV-AWEZNQCLSA-N -1 0 307.296 3.593 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000321594119 600542697 /nfs/dbraw/zinc/54/26/97/600542697.db2.gz KJYSWRBVWSUSRQ-OAHLLOKOSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000740044833 600567175 /nfs/dbraw/zinc/56/71/75/600567175.db2.gz CJISCZDYOAHUOH-HZSPNIEDSA-N -1 0 316.401 3.865 20 0 DHADRM CC(C)C[C@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC000736425366 600574824 /nfs/dbraw/zinc/57/48/24/600574824.db2.gz IZJCWFYJOYICKQ-NSHDSACASA-N -1 0 310.346 3.697 20 0 DHADRM CCOCc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737178485 600576716 /nfs/dbraw/zinc/57/67/16/600576716.db2.gz ZWXXJCYYMJLAOS-UHFFFAOYSA-N -1 0 314.341 3.565 20 0 DHADRM CN(CCC1CCCCC1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737415857 600576872 /nfs/dbraw/zinc/57/68/72/600576872.db2.gz UNUMNVFDEKQRSR-UHFFFAOYSA-N -1 0 304.390 3.819 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000738279853 600582418 /nfs/dbraw/zinc/58/24/18/600582418.db2.gz ILPNZOGGNRVWAB-VHSXEESVSA-N -1 0 315.822 3.572 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=S)NCc2ccccc2)c1 ZINC000740072810 600583262 /nfs/dbraw/zinc/58/32/62/600583262.db2.gz RZIBQKRJGIAFCH-UHFFFAOYSA-N -1 0 320.801 3.525 20 0 DHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736230106 600584264 /nfs/dbraw/zinc/58/42/64/600584264.db2.gz AHOLFHWHFOVOSQ-UHFFFAOYSA-N -1 0 319.307 3.579 20 0 DHADRM Cc1nn(-c2ccccc2)c(Cl)c1CS[C@@H](C)CC(=O)[O-] ZINC000738374239 600587232 /nfs/dbraw/zinc/58/72/32/600587232.db2.gz JQZDTEFLDZVHDP-JTQLQIEISA-N -1 0 324.833 3.931 20 0 DHADRM C[C@H](CC(=O)[O-])SCCOc1ccccc1C(F)(F)F ZINC000736552216 600587639 /nfs/dbraw/zinc/58/76/39/600587639.db2.gz KLBMBEDEMGGHFE-SECBINFHSA-N -1 0 308.321 3.681 20 0 DHADRM Cc1ccc(-c2noc([C@H](C)S[C@H](C)CC(=O)[O-])n2)cc1F ZINC000738251572 600588959 /nfs/dbraw/zinc/58/89/59/600588959.db2.gz MFKVDMHTORNSBM-ZJUUUORDSA-N -1 0 324.377 3.842 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-] ZINC000738201558 600589611 /nfs/dbraw/zinc/58/96/11/600589611.db2.gz FLTSHMLDKOVJIT-WCBMZHEXSA-N -1 0 315.822 3.572 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000738281610 600591385 /nfs/dbraw/zinc/59/13/85/600591385.db2.gz UGPKFQTXAGWQCK-NXEZZACHSA-N -1 0 315.822 3.572 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1cccc(OCC(F)(F)F)c1 ZINC000736551747 600591807 /nfs/dbraw/zinc/59/18/07/600591807.db2.gz HBKOSZKIOAPHCX-SECBINFHSA-N -1 0 308.321 3.724 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1ccc(F)cc1Br ZINC000085158042 600592264 /nfs/dbraw/zinc/59/22/64/600592264.db2.gz IEFJPBVBRMWDHT-ZETCQYMHSA-N -1 0 307.184 3.685 20 0 DHADRM C[C@H](CS[C@@H](C)c1ccccc1Br)C(=O)[O-] ZINC000736618984 600595384 /nfs/dbraw/zinc/59/53/84/600595384.db2.gz SSZZHIPYEVQGBS-BDAKNGLRSA-N -1 0 303.221 3.964 20 0 DHADRM C[C@@H](CS[C@@H](C)C(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000736617600 600600003 /nfs/dbraw/zinc/60/00/03/600600003.db2.gz PGWFPZQLNFZMMH-RYUDHWBXSA-N -1 0 317.410 3.621 20 0 DHADRM C[C@@H](CSCc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000736614748 600605104 /nfs/dbraw/zinc/60/51/04/600605104.db2.gz ZEQOEYKVRWQZGS-VIFPVBQESA-N -1 0 308.321 3.582 20 0 DHADRM C[C@H](CSCCOc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736613323 600605136 /nfs/dbraw/zinc/60/51/36/600605136.db2.gz MGXDVJILARCNJZ-SECBINFHSA-N -1 0 308.321 3.538 20 0 DHADRM C[C@H](CSCc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC000736618816 600606177 /nfs/dbraw/zinc/60/61/77/600606177.db2.gz UTAKDFYIIBXXMJ-MRVPVSSYSA-N -1 0 313.325 3.574 20 0 DHADRM Cc1cccc(NC(=O)[C@H](SC[C@H](C)C(=O)[O-])C(C)C)c1C ZINC000738732817 600606467 /nfs/dbraw/zinc/60/64/67/600606467.db2.gz MZOZRXISZFFANR-SWLSCSKDSA-N -1 0 323.458 3.720 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000739220607 600609362 /nfs/dbraw/zinc/60/93/62/600609362.db2.gz AQPYMBQDCZNQMD-NSHDSACASA-N -1 0 301.367 3.505 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000739224427 600609826 /nfs/dbraw/zinc/60/98/26/600609826.db2.gz ZHCXNSADAYQEMG-GFCCVEGCSA-N -1 0 313.328 3.583 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000237602547 600611173 /nfs/dbraw/zinc/61/11/73/600611173.db2.gz WRKMFSLNGGWTIY-NSHDSACASA-N -1 0 303.383 3.554 20 0 DHADRM CC[C@@](NC(=O)c1coc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000362336731 600618052 /nfs/dbraw/zinc/61/80/52/600618052.db2.gz XHCWJLPNVLDKFK-IBGZPJMESA-N -1 0 323.348 3.553 20 0 DHADRM CC(C)[C@H](Cc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736358534 600618387 /nfs/dbraw/zinc/61/83/87/600618387.db2.gz JYKMNRBHOCDBEA-INIZCTEOSA-N -1 0 316.353 3.536 20 0 DHADRM CCc1[nH]c(C(=O)N[C@@H](C)CCC(C)(C)C)c(C)c1C(=O)[O-] ZINC000737240767 600619002 /nfs/dbraw/zinc/61/90/02/600619002.db2.gz KOTQSRIUHSLLPU-JTQLQIEISA-N -1 0 308.422 3.528 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000739209418 600619036 /nfs/dbraw/zinc/61/90/36/600619036.db2.gz KJKIPAHGBLDNCJ-UHFFFAOYSA-N -1 0 305.761 3.723 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2csc(C3CC3)n2)c1 ZINC000178247763 600619397 /nfs/dbraw/zinc/61/93/97/600619397.db2.gz JUNKBGXYUGWCLD-UHFFFAOYSA-N -1 0 322.773 3.624 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000316601686 600620704 /nfs/dbraw/zinc/62/07/04/600620704.db2.gz HPSDKYSNIDSXMA-UHFFFAOYSA-N -1 0 315.756 3.779 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)CCC1CCCCC1 ZINC000736419870 600621025 /nfs/dbraw/zinc/62/10/25/600621025.db2.gz HFABZYKBBQNIIP-HIFRSBDPSA-N -1 0 312.454 3.534 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CSc2ccccc2)c1 ZINC000147484082 600623855 /nfs/dbraw/zinc/62/38/55/600623855.db2.gz KKLONYUTJMCIDM-UHFFFAOYSA-N -1 0 321.785 3.769 20 0 DHADRM Cc1c(NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC000387408621 600624404 /nfs/dbraw/zinc/62/44/04/600624404.db2.gz KRSKOCQVXCADDU-PJXYFTJBSA-N -1 0 304.390 3.639 20 0 DHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736939887 600624595 /nfs/dbraw/zinc/62/45/95/600624595.db2.gz BSHPVNZRYUMIKZ-CQSZACIVSA-N -1 0 305.378 3.963 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)/C=C\c2cccs2)c1 ZINC000379608286 600625499 /nfs/dbraw/zinc/62/54/99/600625499.db2.gz XSRAZXSPXGAZES-ARJAWSKDSA-N -1 0 307.758 3.752 20 0 DHADRM Cc1oc(CN2CCSC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000578899202 600630006 /nfs/dbraw/zinc/63/00/06/600630006.db2.gz OERQFZVNRFKIIJ-MRXNPFEDSA-N -1 0 317.410 3.576 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736972534 600631057 /nfs/dbraw/zinc/63/10/57/600631057.db2.gz ZACRWQTXOPZNPE-HZPDHXFCSA-N -1 0 324.465 3.632 20 0 DHADRM CCOc1ccc(OCCOc2cc(C)sc2C(=O)[O-])cc1 ZINC000316246176 600638645 /nfs/dbraw/zinc/63/86/45/600638645.db2.gz QKACBNHIWUTNIS-UHFFFAOYSA-N -1 0 322.382 3.611 20 0 DHADRM CCN(C(=O)C(F)(F)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000737049169 600647505 /nfs/dbraw/zinc/64/75/05/600647505.db2.gz CKBXRERXDJVFAP-UHFFFAOYSA-N -1 0 319.307 3.530 20 0 DHADRM C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687131 600649771 /nfs/dbraw/zinc/64/97/71/600649771.db2.gz WKWBXLIOACMONM-WCQYABFASA-N -1 0 314.337 3.702 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000262574434 600654173 /nfs/dbraw/zinc/65/41/73/600654173.db2.gz NSYZYVSFZNAONQ-ZACQAIPSSA-N -1 0 315.413 3.550 20 0 DHADRM Cc1cc(COC(=O)c2ccccc2C(=O)[O-])c2ccccc2n1 ZINC000832885179 600658968 /nfs/dbraw/zinc/65/89/68/600658968.db2.gz LKGSXNOXXUOQCM-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000675991385 600663036 /nfs/dbraw/zinc/66/30/36/600663036.db2.gz SMYGRBKVMYRPJW-OWCLPIDISA-N -1 0 317.429 3.529 20 0 DHADRM CN(C(=O)CCCC1CCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737318659 600671629 /nfs/dbraw/zinc/67/16/29/600671629.db2.gz SQJYLCDSZWXQLO-KRWDZBQOSA-N -1 0 303.402 3.631 20 0 DHADRM CC(C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826677475 600676204 /nfs/dbraw/zinc/67/62/04/600676204.db2.gz UKTWTXLWKZDMGA-QPUJVOFHSA-N -1 0 319.184 3.954 20 0 DHADRM O=C([O-])c1cccc(CNc2ccc(Br)c(F)c2)c1 ZINC000236487543 600680178 /nfs/dbraw/zinc/68/01/78/600680178.db2.gz ZQDPQNWFKCBACF-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM CC/C(=C/C(=O)OCc1occc1C(=O)[O-])c1ccc(C)cc1 ZINC000828548841 600685372 /nfs/dbraw/zinc/68/53/72/600685372.db2.gz FZQPMXRLGAGEMG-RAXLEYEMSA-N -1 0 314.337 3.823 20 0 DHADRM CC(C)C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC000736402637 600695228 /nfs/dbraw/zinc/69/52/28/600695228.db2.gz SLPHRJCDXHPNGD-KRWDZBQOSA-N -1 0 317.429 3.530 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236965579 600695484 /nfs/dbraw/zinc/69/54/84/600695484.db2.gz IVNQTRHNSMLJEW-SJWGOKEGSA-N -1 0 317.429 3.529 20 0 DHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000833169268 600696628 /nfs/dbraw/zinc/69/66/28/600696628.db2.gz JGSPXCNLQKHKQU-ARFHVFGLSA-N -1 0 320.360 3.711 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cc4cccc(F)c4o3)n2)c1 ZINC000833327004 600697126 /nfs/dbraw/zinc/69/71/26/600697126.db2.gz ZKSNXCODZWHUNY-UHFFFAOYSA-N -1 0 324.267 3.987 20 0 DHADRM CCc1ccc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830250123 600697633 /nfs/dbraw/zinc/69/76/33/600697633.db2.gz SSTUGPTWWBKWGX-UHFFFAOYSA-N -1 0 308.337 3.588 20 0 DHADRM C[C@@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000827597688 600698812 /nfs/dbraw/zinc/69/88/12/600698812.db2.gz XFXBUQQTVRNELZ-LBPRGKRZSA-N -1 0 308.337 3.781 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cc(Cl)c(Cl)[nH]3)n2)c1 ZINC000833326654 600700504 /nfs/dbraw/zinc/70/05/04/600700504.db2.gz SOEZGURMFLHXCW-UHFFFAOYSA-N -1 0 324.123 3.737 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000829238289 600725034 /nfs/dbraw/zinc/72/50/34/600725034.db2.gz QODPPLIPCLLWJF-KRWDZBQOSA-N -1 0 312.454 3.633 20 0 DHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@H](C)CC[C@H]3C)c12 ZINC000833001840 600731815 /nfs/dbraw/zinc/73/18/15/600731815.db2.gz ZIMBGMWHRQMNRQ-RKDXNWHRSA-N -1 0 319.430 3.631 20 0 DHADRM C[C@H](OC(=O)c1cccc(F)c1Cl)c1ccc(C(=O)[O-])o1 ZINC000827862105 600733479 /nfs/dbraw/zinc/73/34/79/600733479.db2.gz UZIGRINDDIQKFB-ZETCQYMHSA-N -1 0 312.680 3.688 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2c(s1)CCCC2)c1ccccc1F ZINC000833166831 600741337 /nfs/dbraw/zinc/74/13/37/600741337.db2.gz VLYZCIZNIJIIRU-INIZCTEOSA-N -1 0 319.401 3.682 20 0 DHADRM CO[C@H](C)c1cccc(N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831492882 600746926 /nfs/dbraw/zinc/74/69/26/600746926.db2.gz FVEAWZVGQNVKNC-BZNIZROVSA-N -1 0 303.333 3.771 20 0 DHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC000736926100 600756542 /nfs/dbraw/zinc/75/65/42/600756542.db2.gz DQXDACXLIMWBEY-LBPRGKRZSA-N -1 0 320.366 3.763 20 0 DHADRM CCCCC[C@H](C)CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000829305441 600779409 /nfs/dbraw/zinc/77/94/09/600779409.db2.gz XBRFKXGOHBLNMG-NSHDSACASA-N -1 0 324.446 3.943 20 0 DHADRM CC(C)c1ccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c(C(=O)[O-])c1 ZINC000828221674 600786659 /nfs/dbraw/zinc/78/66/59/600786659.db2.gz VGUVCSACFUZQSF-OCCSQVGLSA-N -1 0 319.401 3.794 20 0 DHADRM CCC(CC)(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000486273890 600787267 /nfs/dbraw/zinc/78/72/67/600787267.db2.gz UZXZQZQKDVLEAD-OAHLLOKOSA-N -1 0 319.445 3.608 20 0 DHADRM O=C([O-])Cc1ccc(OCCOc2cccc3ccccc32)cc1 ZINC000324754289 600801219 /nfs/dbraw/zinc/80/12/19/600801219.db2.gz VAHLHCQBLKVTCB-UHFFFAOYSA-N -1 0 322.360 3.925 20 0 DHADRM CCC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000828608644 600801606 /nfs/dbraw/zinc/80/16/06/600801606.db2.gz GUNUYXMHRIRPTE-VQHVLOKHSA-N -1 0 306.358 3.525 20 0 DHADRM Cc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776674106 600801846 /nfs/dbraw/zinc/80/18/46/600801846.db2.gz PQLLBSROVUDQOR-OAHLLOKOSA-N -1 0 317.772 3.594 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776679084 600802239 /nfs/dbraw/zinc/80/22/39/600802239.db2.gz UNUFZLKKWWHPHO-BXUZGUMPSA-N -1 0 311.809 3.798 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)CC1CCCC1)c1cccc(Cl)c1 ZINC000776671717 600803770 /nfs/dbraw/zinc/80/37/70/600803770.db2.gz CWFKMXDXLHIOHU-CQSZACIVSA-N -1 0 309.793 3.552 20 0 DHADRM Cc1ccc2cccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)c2n1 ZINC000738675365 600807384 /nfs/dbraw/zinc/80/73/84/600807384.db2.gz LQDWQCVFNVZXLO-QGZVFWFLSA-N -1 0 321.332 3.526 20 0 DHADRM Cc1cc(COc2ccc(OC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000387762742 600808268 /nfs/dbraw/zinc/80/82/68/600808268.db2.gz FZBXXFGLUHUXEV-UHFFFAOYSA-N -1 0 316.231 3.764 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000833329905 600813254 /nfs/dbraw/zinc/81/32/54/600813254.db2.gz JBFYBQISEVJJDP-HNNXBMFYSA-N -1 0 314.316 3.503 20 0 DHADRM CC(C)C[C@@H](CNc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC000826785897 600817154 /nfs/dbraw/zinc/81/71/54/600817154.db2.gz HAPUSRGKJLCLSE-NSHDSACASA-N -1 0 313.357 3.535 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(Nc2ncnc3sccc32)cc1 ZINC000826126751 600817585 /nfs/dbraw/zinc/81/75/85/600817585.db2.gz HILLANJKGZPOIQ-UHFFFAOYSA-N -1 0 313.382 3.797 20 0 DHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000737940018 600825363 /nfs/dbraw/zinc/82/53/63/600825363.db2.gz POCVOSZUXTWGSY-LSDHHAIUSA-N -1 0 318.369 3.515 20 0 DHADRM Cc1ccc(NC(=S)Nc2ccc(C(=O)[O-])s2)cc1C ZINC000832949062 600826433 /nfs/dbraw/zinc/82/64/33/600826433.db2.gz NRLULNQMQWCGJY-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM O=C([O-])c1ccc(NCc2ncc(-c3cccs3)o2)cc1 ZINC000833320921 600826531 /nfs/dbraw/zinc/82/65/31/600826531.db2.gz ZXZPTPATTKISFB-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1 ZINC000262508678 600826843 /nfs/dbraw/zinc/82/68/43/600826843.db2.gz ZWJVSQUCQNHNCS-IKGGRYGDSA-N -1 0 315.413 3.535 20 0 DHADRM C[C@H]1CCC[C@@H](C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000736772445 600833984 /nfs/dbraw/zinc/83/39/84/600833984.db2.gz CCXRVSSFPDKDER-GXTWGEPZSA-N -1 0 323.820 3.580 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000362537320 600836402 /nfs/dbraw/zinc/83/64/02/600836402.db2.gz HSBNFXINPCKUNV-HLLBOEOZSA-N -1 0 317.429 3.562 20 0 DHADRM O=C([O-])[C@@H](Sc1ncnc2ccsc21)c1ccccc1F ZINC000833168437 600836620 /nfs/dbraw/zinc/83/66/20/600836620.db2.gz AWEZSANKNQNJMO-NSHDSACASA-N -1 0 320.370 3.748 20 0 DHADRM CC/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736833813 600837006 /nfs/dbraw/zinc/83/70/06/600837006.db2.gz FKMJQRPQRPKFLD-LLLGYDHXSA-N -1 0 323.392 3.731 20 0 DHADRM CCCC[C@H](Sc1ccc(Br)cn1)C(=O)[O-] ZINC000162014230 600837140 /nfs/dbraw/zinc/83/71/40/600837140.db2.gz ICFMDFJNUUHBTJ-VIFPVBQESA-N -1 0 304.209 3.580 20 0 DHADRM Cc1ccc(SCCOc2ccc(C(=O)[O-])cc2Cl)nc1 ZINC000832957458 600837594 /nfs/dbraw/zinc/83/75/94/600837594.db2.gz IPBUPHGSBWGVOT-UHFFFAOYSA-N -1 0 323.801 3.913 20 0 DHADRM CC/C(=C\C(=O)N(CCC(=O)[O-])C(C)C)c1ccc(C)cc1 ZINC000736836874 600842094 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308.790 3.649 20 0 DHADRM O=C([O-])[C@@H](OC(=O)CCCc1ccccc1)c1ccccc1F ZINC000833098529 601108847 /nfs/dbraw/zinc/10/88/47/601108847.db2.gz VKTFODNCPRLILI-KRWDZBQOSA-N -1 0 316.328 3.518 20 0 DHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1C(=O)[O-] ZINC000110987393 601109107 /nfs/dbraw/zinc/10/91/07/601109107.db2.gz HRGTXVVHRFQSHG-UHFFFAOYSA-N -1 0 313.140 3.580 20 0 DHADRM CCC(CC)N(C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C1CC1 ZINC000828859166 601126848 /nfs/dbraw/zinc/12/68/48/601126848.db2.gz PVQZEZJIZBLNCW-UHFFFAOYSA-N -1 0 319.405 3.986 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccc(C(F)(F)F)cc2)C1 ZINC000833186180 601147498 /nfs/dbraw/zinc/14/74/98/601147498.db2.gz BFVFGSTXQLIILK-NXEZZACHSA-N -1 0 316.275 3.502 20 0 DHADRM Cc1ccccc1N(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(C)C ZINC000832978615 601154323 /nfs/dbraw/zinc/15/43/23/601154323.db2.gz NODDOHQPGMTGII-CABCVRRESA-N -1 0 303.402 3.627 20 0 DHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])C(C)(C)C ZINC000767067222 601165598 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601463643 /nfs/dbraw/zinc/46/36/43/601463643.db2.gz BDTCTRXAVWKNMJ-JTQLQIEISA-N -1 0 320.316 3.699 20 0 DHADRM C[C@@H](OC(=O)C(C)(C)c1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827809049 601466725 /nfs/dbraw/zinc/46/67/25/601466725.db2.gz CQQAHYKTUSVLEM-SNVBAGLBSA-N -1 0 320.316 3.699 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(C)C)cc1 ZINC000237037732 601469310 /nfs/dbraw/zinc/46/93/10/601469310.db2.gz OCYAMDNEMWBSMC-INIZCTEOSA-N -1 0 309.431 3.560 20 0 DHADRM C[C@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC000827824919 601470251 /nfs/dbraw/zinc/47/02/51/601470251.db2.gz BNHBOFGJLKBKBR-QUCGXOGASA-N -1 0 318.300 3.825 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc2ccccc2c1 ZINC000828652976 601472573 /nfs/dbraw/zinc/47/25/73/601472573.db2.gz VTHWPXWLBOSWAP-KRWDZBQOSA-N -1 0 316.426 3.770 20 0 DHADRM Cc1ccc(/C=C/CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237796321 601498576 /nfs/dbraw/zinc/49/85/76/601498576.db2.gz UZROFBDVIQYSHT-DUMMIQTOSA-N -1 0 323.392 3.731 20 0 DHADRM Cc1ccc(/C=C/CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237268888 601499309 /nfs/dbraw/zinc/49/93/09/601499309.db2.gz CJNQLXOAIKOUGP-ONEGZZNKSA-N -1 0 323.392 3.755 20 0 DHADRM Cc1ccc(/C=C\CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000832928881 601502181 /nfs/dbraw/zinc/50/21/81/601502181.db2.gz XUOUZHPBEPIJKN-CHYADLBTSA-N -1 0 321.376 3.613 20 0 DHADRM CC(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)=C1CCCC1 ZINC000826012144 601502375 /nfs/dbraw/zinc/50/23/75/601502375.db2.gz DXMKLLUDKPJESU-UHFFFAOYSA-N -1 0 302.374 3.625 20 0 DHADRM C[C@H]1CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000828200587 601504578 /nfs/dbraw/zinc/50/45/78/601504578.db2.gz HQTPKWSSLRPONG-XNBKRRRXSA-N -1 0 321.804 3.718 20 0 DHADRM O=C([O-])c1cccc(CNc2cccc(Br)c2)c1 ZINC000232437557 601504976 /nfs/dbraw/zinc/50/49/76/601504976.db2.gz QACGOPLTSSKZSS-UHFFFAOYSA-N -1 0 306.159 3.759 20 0 DHADRM O=C([O-])c1ccc(C(=O)O[C@H](C2CCCC2)C(F)(F)F)s1 ZINC000833311834 601505198 /nfs/dbraw/zinc/50/51/98/601505198.db2.gz 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DHADRM CCC1(CC)CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000829055665 601784947 /nfs/dbraw/zinc/78/49/47/601784947.db2.gz LRHZKHBEMWUTJX-UHFFFAOYSA-N -1 0 319.405 3.845 20 0 DHADRM COc1ccc2nc(/C=C/c3c[nH]c(C(=O)[O-])c3)sc2c1 ZINC000832504410 601791183 /nfs/dbraw/zinc/79/11/83/601791183.db2.gz NNNHVDLUMPADOZ-GORDUTHDSA-N -1 0 300.339 3.502 20 0 DHADRM Cc1ccc(NC(=S)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000832949076 601793975 /nfs/dbraw/zinc/79/39/75/601793975.db2.gz NZDLRQJRHYXSAW-UHFFFAOYSA-N -1 0 320.458 3.577 20 0 DHADRM Cc1ccc(NC(=S)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000832948838 601794043 /nfs/dbraw/zinc/79/40/43/601794043.db2.gz GXOXPIRSQHCTSY-UHFFFAOYSA-N -1 0 320.458 3.577 20 0 DHADRM Cc1ccc(C)c(NC(=S)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000832926614 601794159 /nfs/dbraw/zinc/79/41/59/601794159.db2.gz WGQKBEMBSFJWEQ-UHFFFAOYSA-N -1 0 320.458 3.577 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc3cccc(Cl)c3o2)CCCCC1 ZINC000833127899 601801315 /nfs/dbraw/zinc/80/13/15/601801315.db2.gz LOBRUOGFNOQHBL-UHFFFAOYSA-N 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CCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])s2)o1 ZINC000830238664 601957446 /nfs/dbraw/zinc/95/74/46/601957446.db2.gz SVGXYBPEMDWATL-CYBMUJFWSA-N -1 0 305.399 3.939 20 0 DHADRM CCCCc1nc(CNc2cccc(CC(=O)[O-])c2)cs1 ZINC000737826572 601967050 /nfs/dbraw/zinc/96/70/50/601967050.db2.gz QMCYHLTZIBLBKT-UHFFFAOYSA-N -1 0 304.415 3.725 20 0 DHADRM CCCCCc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263510345 601984670 /nfs/dbraw/zinc/98/46/70/601984670.db2.gz XJUUTXJCBQYOJR-GOSISDBHSA-N -1 0 318.417 3.748 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)cc2F)s1 ZINC000833314964 601999980 /nfs/dbraw/zinc/99/99/80/601999980.db2.gz BTSKXGSGWGHEOG-UHFFFAOYSA-N -1 0 314.721 3.596 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCCc3ccccc32)s1 ZINC000833314891 602003058 /nfs/dbraw/zinc/00/30/58/602003058.db2.gz AKYBVJPXHSITDY-CQSZACIVSA-N -1 0 316.378 3.610 20 0 DHADRM C/C(=C/C(=O)OCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000825724966 602004715 /nfs/dbraw/zinc/00/47/15/602004715.db2.gz YIWXIQRYXWCLGI-LUAWRHEFSA-N -1 0 302.351 3.593 20 0 DHADRM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827586078 602005257 /nfs/dbraw/zinc/00/52/57/602005257.db2.gz FXYUJGCUGLCKDR-JTQLQIEISA-N -1 0 322.357 3.507 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1ccc2ccccc2c1 ZINC000238109646 602021743 /nfs/dbraw/zinc/02/17/43/602021743.db2.gz UUWRLFUKAQFGND-UHFFFAOYSA-N -1 0 313.397 3.995 20 0 DHADRM Cc1ccc(F)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832934104 602026062 /nfs/dbraw/zinc/02/60/62/602026062.db2.gz HUYQNYLUOIHMCQ-UONOGXRCSA-N -1 0 322.380 3.679 20 0 DHADRM Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832888767 602027127 /nfs/dbraw/zinc/02/71/27/602027127.db2.gz CRDMXXGZPAFYKT-UKRRQHHQSA-N -1 0 322.380 3.679 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000829267589 602033157 /nfs/dbraw/zinc/03/31/57/602033157.db2.gz VTMLAWBIAOPYDZ-GFCCVEGCSA-N -1 0 305.378 3.821 20 0 DHADRM C/C=C\COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828541014 602034504 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C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccsc1 ZINC000738641170 602796842 /nfs/dbraw/zinc/79/68/42/602796842.db2.gz XVRRSFOPMMDPNB-NSHDSACASA-N -1 0 318.398 3.600 20 0 DHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccsc1 ZINC000738630637 602801302 /nfs/dbraw/zinc/80/13/02/602801302.db2.gz LPJVAWYZWRNGCS-JTQLQIEISA-N -1 0 316.382 3.531 20 0 DHADRM CN(Cc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)[O-] ZINC000739718211 602810156 /nfs/dbraw/zinc/81/01/56/602810156.db2.gz UCQKQISALCZUTC-UHFFFAOYSA-N -1 0 316.304 3.939 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830138696 602812583 /nfs/dbraw/zinc/81/25/83/602812583.db2.gz XUTSIAYMLDTELZ-LLVKDONJSA-N -1 0 324.446 3.870 20 0 DHADRM COc1ccc(NC(=O)NC[C@@H](C)C(C)(C)C)cc1NC(=O)[O-] ZINC000739921395 602820907 /nfs/dbraw/zinc/82/09/07/602820907.db2.gz VESVHPWOJBADPZ-SNVBAGLBSA-N -1 0 323.393 3.589 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824777699 602944922 /nfs/dbraw/zinc/94/49/22/602944922.db2.gz 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ZINC000740179443 603005721 /nfs/dbraw/zinc/00/57/21/603005721.db2.gz VSCCIQXRCVERLY-UHFFFAOYSA-N -1 0 309.325 3.726 20 0 DHADRM O=C(/C=C/C1CCCCC1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740353353 603007451 /nfs/dbraw/zinc/00/74/51/603007451.db2.gz XKKRYHAHPHORKI-RMKNXTFCSA-N -1 0 314.385 3.802 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739270855 603040905 /nfs/dbraw/zinc/04/09/05/603040905.db2.gz MOVSBVCZUSQLMR-JTQLQIEISA-N -1 0 309.341 3.570 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCc2cccs2)cc1 ZINC000827908101 603043065 /nfs/dbraw/zinc/04/30/65/603043065.db2.gz JKCRJAOSGKKSKH-UHFFFAOYSA-N -1 0 319.382 3.791 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc3c2ccn3C)cc1 ZINC000827914197 603046359 /nfs/dbraw/zinc/04/63/59/603046359.db2.gz HDCRXJNXVCKRSG-UHFFFAOYSA-N -1 0 324.336 3.512 20 0 DHADRM CC(C)(CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000736323547 603103093 /nfs/dbraw/zinc/10/30/93/603103093.db2.gz HFNXLFXWZFNUKW-UHFFFAOYSA-N -1 0 318.398 3.546 20 0 DHADRM CC(C)c1ccccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738878117 603135150 /nfs/dbraw/zinc/13/51/50/603135150.db2.gz WJBLCUBYGICWHE-UHFFFAOYSA-N -1 0 319.405 3.510 20 0 DHADRM CC(C)(C)CCCNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738697461 603139912 /nfs/dbraw/zinc/13/99/12/603139912.db2.gz UFYMEHHBGGXPEA-UHFFFAOYSA-N -1 0 311.357 3.863 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c(Cl)c1 ZINC000740064831 603152958 /nfs/dbraw/zinc/15/29/58/603152958.db2.gz BFDDMVAMQXEZEW-VXGBXAGGSA-N -1 0 324.808 3.722 20 0 DHADRM COc1ccc([C@H](NC(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC000829312951 603155119 /nfs/dbraw/zinc/15/51/19/603155119.db2.gz XBQHAXUJCASYCO-OAHLLOKOSA-N -1 0 321.760 3.714 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000825414925 603172554 /nfs/dbraw/zinc/17/25/54/603172554.db2.gz CBYCKKNMXLTEKZ-YVEFUNNKSA-N -1 0 324.380 3.684 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 ZINC000825414923 603172701 /nfs/dbraw/zinc/17/27/01/603172701.db2.gz CBYCKKNMXLTEKZ-SJCJKPOMSA-N -1 0 324.380 3.684 20 0 DHADRM COc1cc(NC(=O)[C@@H]2CCC[C@H](C)C2)ccc1NC(=O)[O-] ZINC000739864343 603173384 /nfs/dbraw/zinc/17/33/84/603173384.db2.gz ATLGXGDJJDBDKS-WDEREUQCSA-N -1 0 306.362 3.550 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824246041 603180170 /nfs/dbraw/zinc/18/01/70/603180170.db2.gz ZEXUGZOFYVNYAF-GFCCVEGCSA-N -1 0 324.446 3.733 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000736394956 603180315 /nfs/dbraw/zinc/18/03/15/603180315.db2.gz MJTFLIVFHROJBW-CYBMUJFWSA-N -1 0 304.390 3.675 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2ccsc2)cc1 ZINC000825418745 603189455 /nfs/dbraw/zinc/18/94/55/603189455.db2.gz WYXLCQDCVRMFEJ-HVUAZKLTSA-N -1 0 316.382 3.729 20 0 DHADRM C[C@@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccsc1 ZINC000825414915 603192567 /nfs/dbraw/zinc/19/25/67/603192567.db2.gz BXZPMOFCESSRDY-MNOVXSKESA-N -1 0 318.398 3.819 20 0 DHADRM C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000825989775 603202202 /nfs/dbraw/zinc/20/22/02/603202202.db2.gz YPFMQCGRZOSGAV-FZKQIMNGSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(Nc2ncnc3ccsc32)cc1 ZINC000825453870 603206287 /nfs/dbraw/zinc/20/62/87/603206287.db2.gz NNUAYQNLENQCST-SECBINFHSA-N -1 0 314.370 3.764 20 0 DHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000827495225 603208593 /nfs/dbraw/zinc/20/85/93/603208593.db2.gz HPKDCJFLMSLSQO-UONOGXRCSA-N -1 0 322.430 3.523 20 0 DHADRM Cc1ccccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830581797 603212554 /nfs/dbraw/zinc/21/25/54/603212554.db2.gz QUGYQSJPHIVCBS-CZUORRHYSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)[O-] ZINC000830219733 603216617 /nfs/dbraw/zinc/21/66/17/603216617.db2.gz HWOPFLWKWGKCEC-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000825448000 603238875 /nfs/dbraw/zinc/23/88/75/603238875.db2.gz AATTXUOXCMZOAC-NSHDSACASA-N -1 0 315.398 3.824 20 0 DHADRM Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830204545 603239106 /nfs/dbraw/zinc/23/91/06/603239106.db2.gz HCUGDJPNHYRZQS-ZDUSSCGKSA-N -1 0 324.380 3.844 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000740028203 603245072 /nfs/dbraw/zinc/24/50/72/603245072.db2.gz JOZOOBKQECPFAL-MGCOHNPYSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000825442919 603246855 /nfs/dbraw/zinc/24/68/55/603246855.db2.gz SVXMNDCNRSYAOI-JTQLQIEISA-N -1 0 317.320 3.798 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@H](C)C1 ZINC000739086458 603249175 /nfs/dbraw/zinc/24/91/75/603249175.db2.gz QGGZLUCLDVMZAG-RULNRJAQSA-N -1 0 324.808 3.984 20 0 DHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CCCC1 ZINC000739025211 603249752 /nfs/dbraw/zinc/24/97/52/603249752.db2.gz VDVYZLAQXPAIQN-SECBINFHSA-N -1 0 310.781 3.738 20 0 DHADRM Cc1ccc(OC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830400880 603254369 /nfs/dbraw/zinc/25/43/69/603254369.db2.gz NTSMWAWPJCVWHC-CJNGLKHVSA-N -1 0 313.353 3.545 20 0 DHADRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000740136873 603262810 /nfs/dbraw/zinc/26/28/10/603262810.db2.gz UKFFKXJIMSHUFK-CQSZACIVSA-N -1 0 318.760 3.596 20 0 DHADRM CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739271707 603275576 /nfs/dbraw/zinc/27/55/76/603275576.db2.gz OJEKNCVYWCVDKW-JTQLQIEISA-N -1 0 310.781 3.692 20 0 DHADRM CC(C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736339100 603292639 /nfs/dbraw/zinc/29/26/39/603292639.db2.gz KICHZHFCZMRGSA-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM CCc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000739545287 603299351 /nfs/dbraw/zinc/29/93/51/603299351.db2.gz UYUXEMLERJFSFD-UHFFFAOYSA-N -1 0 324.380 3.784 20 0 DHADRM Cc1ccccc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740181748 603300203 /nfs/dbraw/zinc/30/02/03/603300203.db2.gz FFKALFGLXRFFSC-UHFFFAOYSA-N -1 0 310.353 3.530 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1NC(=O)[O-] ZINC000830182037 603306960 /nfs/dbraw/zinc/30/69/60/603306960.db2.gz NTBKWKPQRZXUJS-LLVKDONJSA-N -1 0 302.330 3.511 20 0 DHADRM CC(C)(C)CCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738697584 603319488 /nfs/dbraw/zinc/31/94/88/603319488.db2.gz WUFRRKNIZLAWIL-UHFFFAOYSA-N -1 0 312.797 3.986 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)NC2CCCCCCC2)c1 ZINC000740676985 603324209 /nfs/dbraw/zinc/32/42/09/603324209.db2.gz LSZVFJHVMOSLJZ-UHFFFAOYSA-N -1 0 319.405 3.689 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1NC(=O)[O-] ZINC000830188249 603332495 /nfs/dbraw/zinc/33/24/95/603332495.db2.gz WOILVLIYDATLOX-INIZCTEOSA-N -1 0 310.353 3.672 20 0 DHADRM Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1NC(=O)[O-] ZINC000830219376 603339559 /nfs/dbraw/zinc/33/95/59/603339559.db2.gz CVUNHTGNERLXDN-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM CCN(Cc1ccccc1NC(=O)NC(C)(C)C(C)C)C(=O)[O-] ZINC000739449284 603350632 /nfs/dbraw/zinc/35/06/32/603350632.db2.gz WBEHSIJOVKCFNU-UHFFFAOYSA-N -1 0 321.421 3.743 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N(C)CCC(C)C)C(=O)[O-] ZINC000739446065 603351754 /nfs/dbraw/zinc/35/17/54/603351754.db2.gz ILXCVDRHZZDCQH-UHFFFAOYSA-N -1 0 321.421 3.696 20 0 DHADRM CCCC(C)(C)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739284401 603353533 /nfs/dbraw/zinc/35/35/33/603353533.db2.gz MEJGITINECYAAX-UHFFFAOYSA-N -1 0 321.421 3.887 20 0 DHADRM CCN(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)[C@H](C)C(C)C ZINC000739380886 603360307 /nfs/dbraw/zinc/36/03/07/603360307.db2.gz LCMBNLAQSPXBAQ-CYBMUJFWSA-N -1 0 321.421 3.695 20 0 DHADRM Cc1ccccc1NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740185924 603365569 /nfs/dbraw/zinc/36/55/69/603365569.db2.gz LWRRBZFQQLWQNK-UHFFFAOYSA-N -1 0 313.357 3.749 20 0 DHADRM CC(C)CCCNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824239110 603367438 /nfs/dbraw/zinc/36/74/38/603367438.db2.gz QMKCQEKGXGKHLV-GFCCVEGCSA-N -1 0 307.394 3.573 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826736725 603369152 /nfs/dbraw/zinc/36/91/52/603369152.db2.gz WCQQOJPUFMJBBJ-VXGBXAGGSA-N -1 0 307.394 3.668 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)CC2)cc1 ZINC000825443035 603374680 /nfs/dbraw/zinc/37/46/80/603374680.db2.gz WDYMNIHOBAWJKJ-OBJOEFQTSA-N -1 0 319.405 3.715 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824679823 603379610 /nfs/dbraw/zinc/37/96/10/603379610.db2.gz OBHOPMGJSAIPSP-GFCCVEGCSA-N -1 0 306.406 3.918 20 0 DHADRM C[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000738629056 603392441 /nfs/dbraw/zinc/39/24/41/603392441.db2.gz MAZUDHNJSJJBIL-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM Cc1ccc(C(=O)NC[C@H]2CCC[C@H](C)C2)cc1NC(=O)[O-] ZINC000830215779 603398065 /nfs/dbraw/zinc/39/80/65/603398065.db2.gz BOFREYNBQVPJGX-AAEUAGOBSA-N -1 0 304.390 3.641 20 0 DHADRM CCCCCC[C@H](C)C(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739328602 603401035 /nfs/dbraw/zinc/40/10/35/603401035.db2.gz DRAQBFNTHZQSJN-AWEZNQCLSA-N -1 0 324.465 3.726 20 0 DHADRM C[C@@H](c1nc(-c2ccccc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645456 603404954 /nfs/dbraw/zinc/40/49/54/603404954.db2.gz OVTIOUURCHHZQY-DOMZBBRYSA-N -1 0 323.352 3.849 20 0 DHADRM C[C@H](c1nc(C2CCCC2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645757 603410659 /nfs/dbraw/zinc/41/06/59/603410659.db2.gz VNQVOCOVJRLZDJ-FZMZJTMJSA-N -1 0 315.373 3.840 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000738666418 603412150 /nfs/dbraw/zinc/41/21/50/603412150.db2.gz FVGYZLYPEDTYHY-UHFFFAOYSA-N -1 0 313.338 3.639 20 0 DHADRM Cc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1NC(=O)[O-] ZINC000830205794 603419524 /nfs/dbraw/zinc/41/95/24/603419524.db2.gz SLZQRBBJHQLKML-UHFFFAOYSA-N -1 0 312.369 3.750 20 0 DHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000824902732 603421679 /nfs/dbraw/zinc/42/16/79/603421679.db2.gz NUUWHPJMMHRIPZ-ZJUUUORDSA-N -1 0 323.780 3.588 20 0 DHADRM O=C([O-])N1CCCN(C(=O)CC2CCCCC2)c2ccccc21 ZINC000740515132 603431048 /nfs/dbraw/zinc/43/10/48/603431048.db2.gz 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C[C@H]1CC/C(=C\C(=O)N(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000828201939 604933611 /nfs/dbraw/zinc/93/36/11/604933611.db2.gz XWJJZZDYZLPYBB-XOAFGZPJSA-N -1 0 315.413 3.626 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)N(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000828201936 604933991 /nfs/dbraw/zinc/93/39/91/604933991.db2.gz XWJJZZDYZLPYBB-OVGFGYAMSA-N -1 0 315.413 3.626 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CCCc2sccc21 ZINC000403034595 604934342 /nfs/dbraw/zinc/93/43/42/604934342.db2.gz BFDQKKKCWODYNT-AWEZNQCLSA-N -1 0 323.458 3.709 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829208937 604950348 /nfs/dbraw/zinc/95/03/48/604950348.db2.gz QAUNFHUHGLCFBI-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@]1(NC(=O)c2csc3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262887863 604962822 /nfs/dbraw/zinc/96/28/22/604962822.db2.gz YRKKCCIPWBTFNF-GUYCJALGSA-N -1 0 317.410 3.665 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829210089 604963032 /nfs/dbraw/zinc/96/30/32/604963032.db2.gz 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C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000237397432 605066648 /nfs/dbraw/zinc/06/66/48/605066648.db2.gz XEULUPOMJGEZQJ-GFCCVEGCSA-N -1 0 317.385 3.843 20 0 DHADRM C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833547930 605071739 /nfs/dbraw/zinc/07/17/39/605071739.db2.gz YZCLAAWNEGDDDW-SDBXPKJASA-N -1 0 306.164 3.553 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000833515996 605073528 /nfs/dbraw/zinc/07/35/28/605073528.db2.gz DAUUXDOSOZJSRR-GOEBONIOSA-N -1 0 317.429 3.562 20 0 DHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000833527571 605076437 /nfs/dbraw/zinc/07/64/37/605076437.db2.gz JSZBWUJTGFZGPL-VOMCLLRMSA-N -1 0 310.777 3.835 20 0 DHADRM C/C(=C/COC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC000833382392 605077952 /nfs/dbraw/zinc/07/79/52/605077952.db2.gz DDKWGHIJIAXQPF-NTMALXAHSA-N -1 0 323.414 3.687 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000833557918 605083640 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NKRWLIHYBORFHQ-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H]1C1CCC1 ZINC000517756233 1013060706 /nfs/dbraw/zinc/06/07/06/1013060706.db2.gz FIHITUWFFUEWTN-ZDUSSCGKSA-N -1 0 313.319 3.816 20 0 DHADRM O=C([O-])CCCSc1nc(C(F)(F)F)nc2ccccc21 ZINC001602001047 971120216 /nfs/dbraw/zinc/12/02/16/971120216.db2.gz VQAGXQVIIDFIDY-UHFFFAOYSA-N -1 0 316.304 3.606 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000033456640 948802174 /nfs/dbraw/zinc/80/21/74/948802174.db2.gz WVTNLJZMAYYGDM-MVVHZJPDSA-N -1 0 317.429 3.613 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000328589098 971512051 /nfs/dbraw/zinc/51/20/51/971512051.db2.gz YEQNZXPRSRTDQG-OAGGEKHMSA-N -1 0 301.386 3.706 20 0 DHADRM CCOCc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000338713877 971516306 /nfs/dbraw/zinc/51/63/06/971516306.db2.gz PMWBJJDYJFBTQK-UHFFFAOYSA-N -1 0 319.401 3.587 20 0 DHADRM CCCC[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000347254946 971521568 /nfs/dbraw/zinc/52/15/68/971521568.db2.gz CPKGMGJAHLNUPB-JCYILVPMSA-N -1 0 317.429 3.720 20 0 DHADRM CCCC[C@@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000347255812 971521607 /nfs/dbraw/zinc/52/16/07/971521607.db2.gz DQBNONPBBJGTTP-OAHLLOKOSA-N -1 0 323.458 3.662 20 0 DHADRM CCCC[C@@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC000347262864 971522735 /nfs/dbraw/zinc/52/27/35/971522735.db2.gz CKSMCLNRQKFSMG-JKSUJKDBSA-N -1 0 305.418 3.576 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000347488659 971526311 /nfs/dbraw/zinc/52/63/11/971526311.db2.gz BQFGACQOXXPWOE-DYVFJYSZSA-N -1 0 317.429 3.673 20 0 DHADRM O=C([O-])c1ccccc1OCCSc1ncccc1Cl ZINC000079421855 949002239 /nfs/dbraw/zinc/00/22/39/949002239.db2.gz MRLNWDUIRMCAIE-UHFFFAOYSA-N -1 0 309.774 3.604 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000358614446 971532318 /nfs/dbraw/zinc/53/23/18/971532318.db2.gz YHYGARAGHPTGGZ-LBPRGKRZSA-N -1 0 315.344 3.666 20 0 DHADRM CCC[C@](C)(NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000362520032 971536266 /nfs/dbraw/zinc/53/62/66/971536266.db2.gz OEGAQWGNTBPEDR-IBGZPJMESA-N -1 0 313.397 3.532 20 0 DHADRM CC(C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000087507653 949090182 /nfs/dbraw/zinc/09/01/82/949090182.db2.gz GQBBQVJVMKQEFK-QMMMGPOBSA-N -1 0 310.703 3.523 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC001602795480 971556261 /nfs/dbraw/zinc/55/62/61/971556261.db2.gz FQKHSICPQQSMHV-OLZOCXBDSA-N -1 0 311.381 3.613 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001589603196 949204764 /nfs/dbraw/zinc/20/47/64/949204764.db2.gz INLSSGGZHPBQCM-SFHVURJKSA-N -1 0 303.402 3.527 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC001602796943 971565144 /nfs/dbraw/zinc/56/51/44/971565144.db2.gz LSVDGXPFXAOIBZ-LBPRGKRZSA-N -1 0 317.772 3.594 20 0 DHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001595220660 949238111 /nfs/dbraw/zinc/23/81/11/949238111.db2.gz AMXYOSBPKJMUFR-ROUUACIJSA-N -1 0 323.392 3.699 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC001595233620 949373945 /nfs/dbraw/zinc/37/39/45/949373945.db2.gz GDOOTPNYKMGJKR-KRWDZBQOSA-N -1 0 310.349 3.622 20 0 DHADRM CCC(CC)(CNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000164994784 949418615 /nfs/dbraw/zinc/41/86/15/949418615.db2.gz NWCDDXIPTSALCZ-UHFFFAOYSA-N -1 0 318.200 3.614 20 0 DHADRM CCC[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)c1cccc(Cl)c1 ZINC001589630256 949528374 /nfs/dbraw/zinc/52/83/74/949528374.db2.gz CNLZUWVCSCKOPB-OAHLLOKOSA-N -1 0 323.820 3.547 20 0 DHADRM CCC[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001589630862 949536903 /nfs/dbraw/zinc/53/69/03/949536903.db2.gz QAKFAIZBGOSYCB-IAQYHMDHSA-N -1 0 323.820 3.688 20 0 DHADRM CCCCC1CCC(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC001589639971 949677984 /nfs/dbraw/zinc/67/79/84/949677984.db2.gz RIADTVHFWNOTPJ-HWOWSKLDSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@@H](C)N(CCCC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589641615 949695466 /nfs/dbraw/zinc/69/54/66/949695466.db2.gz VNFDXWAEMUNCCR-KFWWJZLASA-N -1 0 312.454 3.630 20 0 DHADRM CCCCCC[C@H](C)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001589644883 949712619 /nfs/dbraw/zinc/71/26/19/949712619.db2.gz CXWIQYSQGUDTFQ-ZDUSSCGKSA-N -1 0 306.406 3.543 20 0 DHADRM CCCCN(Cc1ccccc1F)C(=O)C1(CC(=O)[O-])CCC1 ZINC001589650226 949768336 /nfs/dbraw/zinc/76/83/36/949768336.db2.gz FGTKKQZNNMOVIH-UHFFFAOYSA-N -1 0 321.392 3.599 20 0 DHADRM CCCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1F ZINC001589659417 949846426 /nfs/dbraw/zinc/84/64/26/949846426.db2.gz SEDNEDKDWOYVOL-UHFFFAOYSA-N -1 0 315.344 3.510 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000238020575 949990134 /nfs/dbraw/zinc/99/01/34/949990134.db2.gz XSBUQGQSDATHEK-CQSZACIVSA-N -1 0 311.381 3.557 20 0 DHADRM CCCOc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001589681374 950050668 /nfs/dbraw/zinc/05/06/68/950050668.db2.gz MLMHRJDMGSBHDJ-UHFFFAOYSA-N -1 0 313.353 3.734 20 0 DHADRM Cc1ccc(SC2CCCC2)c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000262757245 950163106 /nfs/dbraw/zinc/16/31/06/950163106.db2.gz JUBAPNUFJBQUOW-UHFFFAOYSA-N -1 0 321.442 3.576 20 0 DHADRM CCN(C(=O)Nc1ccc(C(C)(C)CC)cc1)[C@@H](C)C(=O)[O-] ZINC001589703995 950263400 /nfs/dbraw/zinc/26/34/00/950263400.db2.gz ZQUNYEWLMDLCRY-LBPRGKRZSA-N -1 0 306.406 3.701 20 0 DHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000263106363 950267989 /nfs/dbraw/zinc/26/79/89/950267989.db2.gz KPQVPQZMJJOGCD-QWHCGFSZSA-N -1 0 318.417 3.559 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001589705164 950273023 /nfs/dbraw/zinc/27/30/23/950273023.db2.gz DUVBWEQSEATCGM-UHFFFAOYSA-N -1 0 303.745 3.705 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000263157871 950299900 /nfs/dbraw/zinc/29/99/00/950299900.db2.gz FXUCJKRMFRMZPP-ONGXEEELSA-N -1 0 302.201 3.536 20 0 DHADRM CCN(C(=O)Nc1cccc(-c2ccccc2)c1)[C@H](C)C(=O)[O-] ZINC001589707718 950311698 /nfs/dbraw/zinc/31/16/98/950311698.db2.gz XYVAONDRJFOSMZ-CYBMUJFWSA-N -1 0 312.369 3.681 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1 ZINC000263561232 950509538 /nfs/dbraw/zinc/50/95/38/950509538.db2.gz RPBMCYUIBRKMMS-ZDUSSCGKSA-N -1 0 324.380 3.508 20 0 DHADRM CSc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000316266360 950875647 /nfs/dbraw/zinc/87/56/47/950875647.db2.gz WRYWWSWLANFHDI-LBPRGKRZSA-N -1 0 324.446 3.667 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c2ccccc21 ZINC001602854481 971704295 /nfs/dbraw/zinc/70/42/95/971704295.db2.gz LGLJNQVTOBUAFG-ORAYPTAESA-N -1 0 315.413 3.664 20 0 DHADRM CCc1cccc(CC)c1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000320597461 950994895 /nfs/dbraw/zinc/99/48/95/950994895.db2.gz XCPQCJOODWCWDA-UHFFFAOYSA-N -1 0 318.417 3.530 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001602861220 971718476 /nfs/dbraw/zinc/71/84/76/971718476.db2.gz NTTFIUKHKVEIRQ-CYBMUJFWSA-N -1 0 317.389 3.569 20 0 DHADRM O=C([O-])CCCCC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC001595034357 951385697 /nfs/dbraw/zinc/38/56/97/951385697.db2.gz KYEFKILMIQGYGN-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM O=C([O-])CCCCC(=O)OCc1cc(Cl)ccc1Cl ZINC001595035110 951398810 /nfs/dbraw/zinc/39/88/10/951398810.db2.gz WRRRLGPUYWKZGD-UHFFFAOYSA-N -1 0 305.157 3.682 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)NCCC2=CCCCCC2)c1 ZINC001595131804 952036250 /nfs/dbraw/zinc/03/62/50/952036250.db2.gz LMSXEIXKGZCKPW-UHFFFAOYSA-N -1 0 316.401 3.716 20 0 DHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)[C@@H]1CC2CCC1CC2 ZINC000382097692 971799945 /nfs/dbraw/zinc/79/99/45/971799945.db2.gz JRCIWPAIUWOYLP-LBDPXKHJSA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C1(CCc2ccccc2)CC1 ZINC001595138426 952068295 /nfs/dbraw/zinc/06/82/95/952068295.db2.gz LECQJNHUXIOBKX-UHFFFAOYSA-N -1 0 323.392 3.665 20 0 DHADRM O=C([O-])Cc1cccc(Nc2nccc(Oc3ccccc3)n2)c1 ZINC001595138514 952069137 /nfs/dbraw/zinc/06/91/37/952069137.db2.gz SIAVSOZPFTYXNN-UHFFFAOYSA-N -1 0 321.336 3.640 20 0 DHADRM O=C([O-])c1ccc(NC(=O)NCC2CCC3(CC3)CC2)c(F)c1 ZINC001594750698 953426028 /nfs/dbraw/zinc/42/60/28/953426028.db2.gz QLJMZTHQCGSOMT-UHFFFAOYSA-N -1 0 320.364 3.616 20 0 DHADRM CC(C)(NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001602952077 971929497 /nfs/dbraw/zinc/92/94/97/971929497.db2.gz PXAKXTNMJHKVOA-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001593613078 953472510 /nfs/dbraw/zinc/47/25/10/953472510.db2.gz QWIXFHXEOSQUEA-ZANVPECISA-N -1 0 323.439 3.706 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001602959021 971938880 /nfs/dbraw/zinc/93/88/80/971938880.db2.gz PMOPRIDPXOFDQI-GJZGRUSLSA-N -1 0 312.454 3.558 20 0 DHADRM C[C@H]1C[C@@H](CC(=O)Nc2ncccc2C(=O)[O-])CC(C)(C)C1 ZINC001589286057 953572620 /nfs/dbraw/zinc/57/26/20/953572620.db2.gz MLCHSONZAURWTE-RYUDHWBXSA-N -1 0 304.390 3.571 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001593636624 953612389 /nfs/dbraw/zinc/61/23/89/953612389.db2.gz GPORYYVGCOPHHE-CQSZACIVSA-N -1 0 319.445 3.702 20 0 DHADRM CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000567859514 953636449 /nfs/dbraw/zinc/63/64/49/953636449.db2.gz FVPZNFZKIJYTTC-UFBFGSQYSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001589298099 953663312 /nfs/dbraw/zinc/66/33/12/953663312.db2.gz GNHMMQFPHQUGNY-OLZOCXBDSA-N -1 0 309.450 3.551 20 0 DHADRM CCc1nc2cc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)ccc2o1 ZINC001593650653 953707096 /nfs/dbraw/zinc/70/70/96/953707096.db2.gz DLUWNTBGTBYWAM-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM O=C([O-])c1cncc(NC(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC001594804591 953772892 /nfs/dbraw/zinc/77/28/92/953772892.db2.gz WPNAGNBQBIVUCF-UHFFFAOYSA-N -1 0 311.341 3.691 20 0 DHADRM O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594806779 953787694 /nfs/dbraw/zinc/78/76/94/953787694.db2.gz ZMIPWSDIYCIPOL-KLPPZKSPSA-N -1 0 324.336 3.571 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000630555415 953856516 /nfs/dbraw/zinc/85/65/16/953856516.db2.gz LKEQGRLLOFYIQB-VXGBXAGGSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000635018629 953871456 /nfs/dbraw/zinc/87/14/56/953871456.db2.gz OZVOFLDYQUXPFI-WCBMZHEXSA-N -1 0 320.191 3.675 20 0 DHADRM Cc1cc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000643425453 953901822 /nfs/dbraw/zinc/90/18/22/953901822.db2.gz YZFNHHAYADDWGV-JQWIXIFHSA-N -1 0 324.808 3.531 20 0 DHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001593675980 953927022 /nfs/dbraw/zinc/92/70/22/953927022.db2.gz JAEVBYWLKRFKGH-ZMUOKHCPSA-N -1 0 319.401 3.664 20 0 DHADRM CS[C@@H]1CC[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000080031868 1013118150 /nfs/dbraw/zinc/11/81/50/1013118150.db2.gz NRYRPUSGBLCERT-DTWKUNHWSA-N -1 0 320.241 3.713 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)[C@H]1C(=O)[O-] ZINC001589328985 953938444 /nfs/dbraw/zinc/93/84/44/953938444.db2.gz KRKGGNCPPRALAC-CXAGYDPISA-N -1 0 315.413 3.670 20 0 DHADRM CC[C@@H](CNC(=O)c1sccc1-c1ccc(C)cc1)C(=O)[O-] ZINC000649260284 953989253 /nfs/dbraw/zinc/98/92/53/953989253.db2.gz DKTOFQZMRIFUSP-LBPRGKRZSA-N -1 0 317.410 3.564 20 0 DHADRM O=C([O-])[C@@H](Sc1nnc(CCC2CCCCC2)o1)C1CC1 ZINC001594843371 954102943 /nfs/dbraw/zinc/10/29/43/954102943.db2.gz KLIOBDHHVBXKIW-ZDUSSCGKSA-N -1 0 310.419 3.538 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC000655576359 954214186 /nfs/dbraw/zinc/21/41/86/954214186.db2.gz QDHVABXWBGZVAW-KGYLQXTDSA-N -1 0 323.820 3.514 20 0 DHADRM C[C@H](NC(=O)CCC1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584460 954225375 /nfs/dbraw/zinc/22/53/75/954225375.db2.gz JVPSEZVPYLBUIA-AEGPPILISA-N -1 0 309.450 3.599 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659137602 954310286 /nfs/dbraw/zinc/31/02/86/954310286.db2.gz LGKSESAPULIFKC-WMLDXEAASA-N -1 0 323.820 3.547 20 0 DHADRM CC1(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCC1 ZINC000659143647 954310729 /nfs/dbraw/zinc/31/07/29/954310729.db2.gz NHDYPEUUJCSDFS-MRXNPFEDSA-N -1 0 315.413 3.558 20 0 DHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC000659762269 954363882 /nfs/dbraw/zinc/36/38/82/954363882.db2.gz DLRKAAKEFGBPHO-CQSZACIVSA-N -1 0 315.413 3.671 20 0 DHADRM Cc1ccc(-c2cnc(CN(CC(=O)[O-])CC(C)(C)C)o2)cc1 ZINC000662226330 954396234 /nfs/dbraw/zinc/39/62/34/954396234.db2.gz OXZATYQIDINFKW-UHFFFAOYSA-N -1 0 316.401 3.583 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4cccc(Cl)c4o3)n2)CCC1 ZINC001594884432 954450601 /nfs/dbraw/zinc/45/06/01/954450601.db2.gz BEFLOXSNBKCBRE-UHFFFAOYSA-N -1 0 318.716 3.643 20 0 DHADRM O=C([O-])CCCCNC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000666558292 954559101 /nfs/dbraw/zinc/55/91/01/954559101.db2.gz OENQOLRCXYVKDE-INIZCTEOSA-N -1 0 318.417 3.568 20 0 DHADRM O=C([O-])[C@H]1C[C@@H](Nc2nc3ccc(F)cc3o2)c2ccccc21 ZINC001594904018 954657921 /nfs/dbraw/zinc/65/79/21/954657921.db2.gz ZKDWODMREFUVKX-GXTWGEPZSA-N -1 0 312.300 3.692 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](Nc2nc3ccc(F)cc3o2)c2ccccc21 ZINC001594904023 954658124 /nfs/dbraw/zinc/65/81/24/954658124.db2.gz ZKDWODMREFUVKX-OCCSQVGLSA-N -1 0 312.300 3.692 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001602999652 972037097 /nfs/dbraw/zinc/03/70/97/972037097.db2.gz IUVVRFZCPQFSBT-STQMWFEESA-N -1 0 319.405 3.506 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC001589447728 954779697 /nfs/dbraw/zinc/77/96/97/954779697.db2.gz NWJFGVJKCUBCHJ-YYHKSVKZSA-N -1 0 321.461 3.695 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000386303997 972043164 /nfs/dbraw/zinc/04/31/64/972043164.db2.gz KWMOSPDNIZSOEX-UHFFFAOYSA-N -1 0 317.410 3.618 20 0 DHADRM CCC(C)(C)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589451933 954806949 /nfs/dbraw/zinc/80/69/49/954806949.db2.gz NHDDMLDLTLNPLN-HNNXBMFYSA-N -1 0 319.445 3.737 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603002495 972045729 /nfs/dbraw/zinc/04/57/29/972045729.db2.gz UNUOZNAMHAMTSX-ZDUSSCGKSA-N -1 0 303.402 3.736 20 0 DHADRM O=C([O-])[C@@H]1CCN(Cc2ccc(C(F)F)nc2)c2ccccc21 ZINC001594933717 954842072 /nfs/dbraw/zinc/84/20/72/954842072.db2.gz JJQCQHPCXOSXJD-CYBMUJFWSA-N -1 0 318.323 3.598 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001589463426 954872741 /nfs/dbraw/zinc/87/27/41/954872741.db2.gz AKMONEVLIVPHRG-XEZPLFJOSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001589464008 954882436 /nfs/dbraw/zinc/88/24/36/954882436.db2.gz MFQDWZOVVKOVGM-ZDUSSCGKSA-N -1 0 312.369 3.611 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589514083 955055794 /nfs/dbraw/zinc/05/57/94/955055794.db2.gz CDBMYSLRZFYYMM-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603018068 972074078 /nfs/dbraw/zinc/07/40/78/972074078.db2.gz FYXCTLOROBLMNX-CQSZACIVSA-N -1 0 319.405 3.602 20 0 DHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001603018621 972078999 /nfs/dbraw/zinc/07/89/99/972078999.db2.gz WEAKCVMDMVZXMF-OAHLLOKOSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)CCCCCC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603021371 972080052 /nfs/dbraw/zinc/08/00/52/972080052.db2.gz BWUHBENHTJVEFP-UHFFFAOYSA-N -1 0 317.389 3.578 20 0 DHADRM CC(C)CCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603021439 972080361 /nfs/dbraw/zinc/08/03/61/972080361.db2.gz HQQWMYGPXSXWFP-JKSUJKDBSA-N -1 0 303.402 3.632 20 0 DHADRM CN(Cc1csc(C(C)(C)C)n1)Cc1ccc(C(=O)[O-])cc1 ZINC000386919083 972090443 /nfs/dbraw/zinc/09/04/43/972090443.db2.gz LWGZAEWRZGXXEM-UHFFFAOYSA-N -1 0 318.442 3.771 20 0 DHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001589008294 955380336 /nfs/dbraw/zinc/38/03/36/955380336.db2.gz WKIWXCKGWDAQRD-DZGCQCFKSA-N -1 0 319.445 3.606 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589013058 955397633 /nfs/dbraw/zinc/39/76/33/955397633.db2.gz NOBUYARWYRLANO-LIRRHRJNSA-N -1 0 317.429 3.709 20 0 DHADRM C[C@H](CCNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001589014279 955418418 /nfs/dbraw/zinc/41/84/18/955418418.db2.gz UIOSPOVJGKVAAK-OAHLLOKOSA-N -1 0 317.429 3.722 20 0 DHADRM CCN(C(=O)CCCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000844246617 955660490 /nfs/dbraw/zinc/66/04/90/955660490.db2.gz KEYIUVREAXOJLE-GFCCVEGCSA-N -1 0 303.358 3.597 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000846135853 955697910 /nfs/dbraw/zinc/69/79/10/955697910.db2.gz VQLZVMZRUNDJBQ-VNQPRFMTSA-N -1 0 309.450 3.552 20 0 DHADRM Cn1ccc2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)cc21 ZINC001594552487 955735111 /nfs/dbraw/zinc/73/51/11/955735111.db2.gz BEBVJNSLOSHCPN-UHFFFAOYSA-N -1 0 314.385 3.542 20 0 DHADRM COC(=O)c1ccccc1CSCc1cccc(C(=O)[O-])c1 ZINC001593888829 955769310 /nfs/dbraw/zinc/76/93/10/955769310.db2.gz SDKKIEVONOISQX-UHFFFAOYSA-N -1 0 316.378 3.605 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)s1 ZINC000864102828 955932658 /nfs/dbraw/zinc/93/26/58/955932658.db2.gz ADIZGNLDCRLEQR-ONRRBMGISA-N -1 0 319.382 3.547 20 0 DHADRM C[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1c(F)cccc1F ZINC001589109374 956061122 /nfs/dbraw/zinc/06/11/22/956061122.db2.gz XILFQMWJMGQVJM-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1sccc1C(F)F)C(=O)[O-] ZINC000872728729 956061577 /nfs/dbraw/zinc/06/15/77/956061577.db2.gz XQKSUVDIJMAYFN-SECBINFHSA-N -1 0 319.373 3.695 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(C)s1 ZINC000901585311 956355208 /nfs/dbraw/zinc/35/52/08/956355208.db2.gz DYICMHZHINKXSR-LWTINBJPSA-N -1 0 319.382 3.547 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nc(C2CC2)cs1 ZINC001589154280 956361519 /nfs/dbraw/zinc/36/15/19/956361519.db2.gz RHNAWZYMJGHSKD-NOZJJQNGSA-N -1 0 323.414 3.516 20 0 DHADRM CC(C)c1cccc2c1CCN(C(=O)c1cccc(C(=O)[O-])c1)C2 ZINC001603106117 972180153 /nfs/dbraw/zinc/18/01/53/972180153.db2.gz ZPVIEIKHLCWPPC-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1ccc(-c2noc(CS[C@@H](C)C(=O)[O-])n2)cc1 ZINC001589169495 956460127 /nfs/dbraw/zinc/46/01/27/956460127.db2.gz RNRGLHKVZPOZGK-JTQLQIEISA-N -1 0 306.387 3.566 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC001589213621 956717898 /nfs/dbraw/zinc/71/78/98/956717898.db2.gz STWGUSTUXTUTEE-FQEVSTJZSA-N -1 0 321.376 3.701 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001589220206 956765683 /nfs/dbraw/zinc/76/56/83/956765683.db2.gz XWDCDVZSAUFCDD-ZDUSSCGKSA-N -1 0 320.147 3.572 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589226032 956795299 /nfs/dbraw/zinc/79/52/99/956795299.db2.gz UTZKFHFXGYKKQL-NSHDSACASA-N -1 0 305.374 3.635 20 0 DHADRM CC1(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCCC1 ZINC001589239353 956860489 /nfs/dbraw/zinc/86/04/89/956860489.db2.gz GRAMPELOONLHRZ-UHFFFAOYSA-N -1 0 301.386 3.634 20 0 DHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000009269898 956887948 /nfs/dbraw/zinc/88/79/48/956887948.db2.gz PSXVVBKSLMWOLK-GFCCVEGCSA-N -1 0 313.353 3.814 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000009269899 956888261 /nfs/dbraw/zinc/88/82/61/956888261.db2.gz PSXVVBKSLMWOLK-LBPRGKRZSA-N -1 0 313.353 3.814 20 0 DHADRM Cc1occc1-c1nnc(SCc2cccc(C(=O)[O-])c2)o1 ZINC000013062028 956922411 /nfs/dbraw/zinc/92/24/11/956922411.db2.gz HDLVHTYDBZWSCW-UHFFFAOYSA-N -1 0 316.338 3.629 20 0 DHADRM O=C([O-])c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000013094503 956945665 /nfs/dbraw/zinc/94/56/65/956945665.db2.gz ABHUUXMQMUDAKI-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)s2)cc1 ZINC000013179586 956962648 /nfs/dbraw/zinc/96/26/48/956962648.db2.gz UPACDLOXEUWXFR-NSHDSACASA-N -1 0 323.801 3.656 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2C2CCC2)cc1 ZINC000907541581 956973456 /nfs/dbraw/zinc/97/34/56/956973456.db2.gz GWMQLEWPYQBMAC-UHFFFAOYSA-N -1 0 309.365 3.582 20 0 DHADRM O=C([O-])c1cccnc1SCCCOc1ccc(Cl)cc1 ZINC000013191589 956977800 /nfs/dbraw/zinc/97/78/00/956977800.db2.gz LZXHIXZJQDVWTP-UHFFFAOYSA-N -1 0 323.801 3.994 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC001589256019 956989252 /nfs/dbraw/zinc/98/92/52/956989252.db2.gz CWNYZDZCUPOFEA-SFHVURJKSA-N -1 0 301.386 3.528 20 0 DHADRM Cc1ccsc1CCCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000909332707 957013327 /nfs/dbraw/zinc/01/33/27/957013327.db2.gz QVOKIDXLNZVSRO-UHFFFAOYSA-N -1 0 317.410 3.645 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000909487083 957022569 /nfs/dbraw/zinc/02/25/69/957022569.db2.gz ZSLHOLYGCROASP-AWEZNQCLSA-N -1 0 315.413 3.671 20 0 DHADRM CCc1ccc2ccccc2c1CNC(=O)CCCCC(=O)[O-] ZINC000910995315 957051250 /nfs/dbraw/zinc/05/12/50/957051250.db2.gz UYUQJQCDUIZWAK-UHFFFAOYSA-N -1 0 313.397 3.663 20 0 DHADRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000014178952 957096587 /nfs/dbraw/zinc/09/65/87/957096587.db2.gz ABTAWDYPBLHNHM-FNORWQNLSA-N -1 0 322.769 3.761 20 0 DHADRM O=C([O-])c1sc2cccc(F)c2c1CSc1ncccn1 ZINC000036923879 957244754 /nfs/dbraw/zinc/24/47/54/957244754.db2.gz XHBGGTJJYJDQLD-UHFFFAOYSA-N -1 0 320.370 3.821 20 0 DHADRM COc1ccc(OC)c(CSc2ccc(C(=O)[O-])cc2)c1 ZINC000036970451 957249722 /nfs/dbraw/zinc/24/97/22/957249722.db2.gz HABNNAKLJAOMPD-UHFFFAOYSA-N -1 0 304.367 3.694 20 0 DHADRM O=C([O-])c1sccc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000036977813 957256242 /nfs/dbraw/zinc/25/62/42/957256242.db2.gz XTTJTRUFSCKGFH-DUXPYHPUSA-N -1 0 313.787 3.813 20 0 DHADRM CSc1ccccc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000037404738 957277398 /nfs/dbraw/zinc/27/73/98/957277398.db2.gz PYGMWHPOIRAKMQ-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)sc1C ZINC000037455871 957300655 /nfs/dbraw/zinc/30/06/55/957300655.db2.gz UVWAMGGQRXSUAE-UHFFFAOYSA-N -1 0 321.423 3.866 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c2ccc(F)cc2n1 ZINC001319228640 957301561 /nfs/dbraw/zinc/30/15/61/957301561.db2.gz BBJLLIWRIVVGNM-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccccc1SC1CCCC1 ZINC000037795757 957329926 /nfs/dbraw/zinc/32/99/26/957329926.db2.gz AQBADVQBCKWIFV-UHFFFAOYSA-N -1 0 307.415 3.915 20 0 DHADRM Cc1sc(NC(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1C ZINC000040162478 957358803 /nfs/dbraw/zinc/35/88/03/957358803.db2.gz NIEYMDVBJJBURL-UHFFFAOYSA-N -1 0 311.309 3.594 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1ccccc1C(F)(F)F ZINC000040162619 957360167 /nfs/dbraw/zinc/36/01/67/957360167.db2.gz ANTPKNKAGDMVKI-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000040224251 957360949 /nfs/dbraw/zinc/36/09/49/957360949.db2.gz GMGANCRNZUJWCY-GFCCVEGCSA-N -1 0 309.431 3.693 20 0 DHADRM CSc1cccc(NC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000040519187 957372170 /nfs/dbraw/zinc/37/21/70/957372170.db2.gz OJNYSFOCRWKXFM-UHFFFAOYSA-N -1 0 302.355 3.751 20 0 DHADRM C[C@](NCc1ccco1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000041759072 957393223 /nfs/dbraw/zinc/39/32/23/957393223.db2.gz VQDJHTDRLMSLAB-CQSZACIVSA-N -1 0 314.168 3.676 20 0 DHADRM COc1ccc(COc2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000042271564 957407918 /nfs/dbraw/zinc/40/79/18/957407918.db2.gz VBFSGDPGYLLNTN-UHFFFAOYSA-N -1 0 310.708 3.765 20 0 DHADRM CC(C)c1ccc([C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603174856 972273503 /nfs/dbraw/zinc/27/35/03/972273503.db2.gz ASCUFQFPPNCMSH-CZUORRHYSA-N -1 0 320.433 3.527 20 0 DHADRM CCOC(=O)CCCCCOc1ccc(C(=O)[O-])cc1Cl ZINC000071297695 957715746 /nfs/dbraw/zinc/71/57/46/957715746.db2.gz QVLIBYZUGGZNKU-UHFFFAOYSA-N -1 0 314.765 3.541 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)CCC2CCCCC2)c1 ZINC001594281594 957752025 /nfs/dbraw/zinc/75/20/25/957752025.db2.gz WLUSKFLVONDPRX-UHFFFAOYSA-N -1 0 303.402 3.736 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c1 ZINC001594282755 957760187 /nfs/dbraw/zinc/76/01/87/957760187.db2.gz ZEWWFOBGMHEFHC-MRXNPFEDSA-N -1 0 315.413 3.734 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C2CCC2)C2CCC2)c1 ZINC001594287201 957789425 /nfs/dbraw/zinc/78/94/25/957789425.db2.gz VRWZNOXUMHAQCL-UHFFFAOYSA-N -1 0 315.413 3.639 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2Cl)CCCCC1 ZINC000084146868 957860634 /nfs/dbraw/zinc/86/06/34/957860634.db2.gz CNYHQLABZGBUNI-UHFFFAOYSA-N -1 0 310.781 3.639 20 0 DHADRM O=C([O-])c1cccc(C(=O)NCc2c(Cl)cccc2Cl)c1 ZINC001574807942 957862386 /nfs/dbraw/zinc/86/23/86/957862386.db2.gz TYSGEOQHQFCVOH-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM Cc1cc(C)cc(CCC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001594295064 957870595 /nfs/dbraw/zinc/87/05/95/957870595.db2.gz QTAVEDXNFYZVBE-UHFFFAOYSA-N -1 0 312.365 3.678 20 0 DHADRM Cc1cccc([C@@H](NC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC001594298243 957883504 /nfs/dbraw/zinc/88/35/04/957883504.db2.gz IHMFZTGPUXMLQG-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1ccsc1C(F)F ZINC001574820286 957907033 /nfs/dbraw/zinc/90/70/33/957907033.db2.gz LHAOOZWXSJAZDC-UHFFFAOYSA-N -1 0 303.311 3.698 20 0 DHADRM Cc1cc(Cl)c(OC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1F ZINC001594307016 957977804 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Cc1ccc(CC(=O)Nc2sccc2C(=O)[O-])cc1Cl ZINC001594354485 958400305 /nfs/dbraw/zinc/40/03/05/958400305.db2.gz ATIHVSIQGHDKOI-UHFFFAOYSA-N -1 0 309.774 3.589 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001594362965 958469230 /nfs/dbraw/zinc/46/92/30/958469230.db2.gz CVRSVLKTMFFFKQ-UHFFFAOYSA-N -1 0 309.793 3.724 20 0 DHADRM Cc1ccc(N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC001594367487 958502380 /nfs/dbraw/zinc/50/23/80/958502380.db2.gz SHHXNUPWTCZKNS-PKNBQFBNSA-N -1 0 313.353 3.741 20 0 DHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)c2cccnc12 ZINC001594369452 958531596 /nfs/dbraw/zinc/53/15/96/958531596.db2.gz RSVBLINTHBEKLK-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM C/C(=C/C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1cccs1 ZINC001588480577 958589930 /nfs/dbraw/zinc/58/99/30/958589930.db2.gz RCBKQRBUODMVEI-NLYDNYMLSA-N -1 0 309.431 3.547 20 0 DHADRM C/C(=C\C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1C ZINC001588481692 958597357 /nfs/dbraw/zinc/59/73/57/958597357.db2.gz ZCHMCHCTZFPUFZ-QJPKHSJYSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@@H](OC(=O)[C@H](C)C(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC001573374483 958649162 /nfs/dbraw/zinc/64/91/62/958649162.db2.gz KMUKYDOQLJRWFT-HTQZYQBOSA-N -1 0 322.304 3.623 20 0 DHADRM Cc1ccc2sc(CN(CC(=O)[O-])CC(C)(C)C)nc2c1 ZINC001594385965 958667152 /nfs/dbraw/zinc/66/71/52/958667152.db2.gz LSLHZLWTRFLWFW-UHFFFAOYSA-N -1 0 306.431 3.537 20 0 DHADRM Cc1ccc2occ(CC(=O)Nc3ccccc3C(=O)[O-])c2c1 ZINC001594386406 958676380 /nfs/dbraw/zinc/67/63/80/958676380.db2.gz WIKYEENTEGXMAV-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1c(F)cccc1F ZINC001594388487 958695287 /nfs/dbraw/zinc/69/52/87/958695287.db2.gz XONBNUTTZICLML-SNVBAGLBSA-N -1 0 319.307 3.714 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-] ZINC001573424413 958784927 /nfs/dbraw/zinc/78/49/27/958784927.db2.gz HNUFAHXMHDJFFX-HNNXBMFYSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc2c1CCCC2)C(=O)[O-] ZINC001573426295 958790317 /nfs/dbraw/zinc/79/03/17/958790317.db2.gz VPNRRIASVZYAFV-MRXNPFEDSA-N -1 0 317.429 3.575 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])cn3)CCCC2)c1 ZINC001594401590 958862101 /nfs/dbraw/zinc/86/21/01/958862101.db2.gz UAWZKWITKFQLTD-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM Cc1cccc(Cl)c1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594403370 958868880 /nfs/dbraw/zinc/86/88/80/958868880.db2.gz BSSHYOSDARJONM-WAYWQWQTSA-N -1 0 305.717 3.592 20 0 DHADRM CC(C)(C)c1cc(NCC2(C(=O)[O-])CCC2)nc(C(C)(C)C)n1 ZINC001573462597 958919023 /nfs/dbraw/zinc/91/90/23/958919023.db2.gz GLFJSPIBTHBHDX-UHFFFAOYSA-N -1 0 319.449 3.738 20 0 DHADRM CC(C)(C)SCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573462661 958921156 /nfs/dbraw/zinc/92/11/56/958921156.db2.gz JGVWFLMLYHWRDU-UHFFFAOYSA-N -1 0 319.785 3.648 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ncccc1C(=O)[O-] ZINC001594410978 958947668 /nfs/dbraw/zinc/94/76/68/958947668.db2.gz HADRNUCKOQNZMN-STQMWFEESA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)(CCNC(=O)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC001573474130 958949933 /nfs/dbraw/zinc/94/99/33/958949933.db2.gz BLCXWAQJYYGLJU-UHFFFAOYSA-N -1 0 311.381 3.584 20 0 DHADRM CC(C)(CNC(=O)Nc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC001573474687 958956712 /nfs/dbraw/zinc/95/67/12/958956712.db2.gz ICWUPTCVBDHEJD-UHFFFAOYSA-N -1 0 304.390 3.723 20 0 DHADRM CC(C)(CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001573474939 958960199 /nfs/dbraw/zinc/96/01/99/958960199.db2.gz SKHAXJFRPSFQFY-LUAWRHEFSA-N -1 0 319.401 3.714 20 0 DHADRM Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc(C(=O)[O-])cc1)C2 ZINC001594413083 958964167 /nfs/dbraw/zinc/96/41/67/958964167.db2.gz VUIWNQVEWQQXCM-UHFFFAOYSA-N -1 0 323.392 3.670 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001573489486 959000137 /nfs/dbraw/zinc/00/01/37/959000137.db2.gz FSBKWPJHUCELMV-BXKDBHETSA-N -1 0 318.291 3.666 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594415974 959003559 /nfs/dbraw/zinc/00/35/59/959003559.db2.gz XSIIHEPMTAQQBK-HOTGVXAUSA-N -1 0 319.445 3.742 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])ccn2)CCCC1 ZINC001594416383 959006291 /nfs/dbraw/zinc/00/62/91/959006291.db2.gz ADSYWFDKQUUSDU-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000153692905 959039788 /nfs/dbraw/zinc/03/97/88/959039788.db2.gz BPZVPKRCACBOCI-CYBMUJFWSA-N -1 0 321.417 3.616 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001573498604 959041325 /nfs/dbraw/zinc/04/13/25/959041325.db2.gz FBRPIZWHNAWGCY-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM C[C@@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC001588556539 959058438 /nfs/dbraw/zinc/05/84/38/959058438.db2.gz ILSJFQXYUZNNCJ-SECBINFHSA-N -1 0 323.801 3.520 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccco1 ZINC001588558331 959083021 /nfs/dbraw/zinc/08/30/21/959083021.db2.gz XOUPKCDREFJHBK-SSDOTTSWSA-N -1 0 311.696 3.513 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001573509845 959087468 /nfs/dbraw/zinc/08/74/68/959087468.db2.gz SMZJCQALOUHJOT-INIZCTEOSA-N -1 0 305.418 3.637 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573516856 959105484 /nfs/dbraw/zinc/10/54/84/959105484.db2.gz KUMHZETXZWNBPC-OPIZNEOISA-N -1 0 319.401 3.712 20 0 DHADRM CSc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1Cl ZINC001594189372 959155634 /nfs/dbraw/zinc/15/56/34/959155634.db2.gz AKBQVLKQCHUWQO-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM CSc1c(F)cccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594189550 959159480 /nfs/dbraw/zinc/15/94/80/959159480.db2.gz MUSBJLZIKAIEPP-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC001573539309 959182505 /nfs/dbraw/zinc/18/25/05/959182505.db2.gz FYFWBVNXHMBBQF-UHFFFAOYSA-N -1 0 317.410 3.575 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594197915 959213952 /nfs/dbraw/zinc/21/39/52/959213952.db2.gz LKPWZHRLRJIDEL-TUAOUCFPSA-N -1 0 308.399 3.514 20 0 DHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(-c2ccccc2)cc1 ZINC001594237973 959513437 /nfs/dbraw/zinc/51/34/37/959513437.db2.gz DSAUVDMWJXLJOO-CKNLXJGOSA-N -1 0 323.392 3.642 20 0 DHADRM Cc1[nH]c2c(cccc2C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000191381201 959555241 /nfs/dbraw/zinc/55/52/41/959555241.db2.gz QJHRYNXWVZPPEV-UHFFFAOYSA-N -1 0 314.366 3.797 20 0 DHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CC1CCCCC1 ZINC000191533106 959579038 /nfs/dbraw/zinc/57/90/38/959579038.db2.gz PSCYZOJELRJTSE-KRWDZBQOSA-N -1 0 317.429 3.549 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000194956824 959622521 /nfs/dbraw/zinc/62/25/21/959622521.db2.gz ZAYSYAMHOPHVOU-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC001588632996 959627066 /nfs/dbraw/zinc/62/70/66/959627066.db2.gz CWYRBXARUWUFLS-OAHLLOKOSA-N -1 0 301.386 3.722 20 0 DHADRM CCCOc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1OC ZINC000206728268 959660630 /nfs/dbraw/zinc/66/06/30/959660630.db2.gz DLFFGIZZCCANSW-ALCCZGGFSA-N -1 0 319.382 3.809 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2Cl ZINC001588639231 959673013 /nfs/dbraw/zinc/67/30/13/959673013.db2.gz ACBZURJIQKVWCJ-OLZOCXBDSA-N -1 0 310.777 3.617 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCc1csc(C(F)(F)F)c1 ZINC001588639768 959677919 /nfs/dbraw/zinc/67/79/19/959677919.db2.gz DVRILXQQPQIXJJ-VIFPVBQESA-N -1 0 324.320 3.557 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001588646265 959738030 /nfs/dbraw/zinc/73/80/30/959738030.db2.gz UPHAUYCJFYGBJJ-YMAMQOFZSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001573711302 959851585 /nfs/dbraw/zinc/85/15/85/959851585.db2.gz LEWSLWOBJQNIQQ-XHQXLQHBSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000226358631 959875471 /nfs/dbraw/zinc/87/54/71/959875471.db2.gz DEQYUZMXSGLDJV-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2ccc(F)cc2s1 ZINC001588654101 960406962 /nfs/dbraw/zinc/40/69/62/960406962.db2.gz UZWBGCGUHCJBRZ-UHFFFAOYSA-N -1 0 323.389 3.613 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(F)c2ccccc12 ZINC001588653998 960407491 /nfs/dbraw/zinc/40/74/91/960407491.db2.gz OYJZFRDYBJOLSK-UHFFFAOYSA-N -1 0 317.360 3.552 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588656831 960414490 /nfs/dbraw/zinc/41/44/90/960414490.db2.gz IKYSYBBEKSSUJS-UHFFFAOYSA-N -1 0 314.470 3.591 20 0 DHADRM CSc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1C ZINC001574257641 960547031 /nfs/dbraw/zinc/54/70/31/960547031.db2.gz SSOPJLQMHFXZDM-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CC/C(=C\C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001573757888 960575180 /nfs/dbraw/zinc/57/51/80/960575180.db2.gz DCUIUTYRPWQJHG-GSPCDJLXSA-N -1 0 317.429 3.652 20 0 DHADRM O=C([O-])c1cccc(NCc2cc(F)ccc2Br)c1 ZINC000236464086 960636855 /nfs/dbraw/zinc/63/68/55/960636855.db2.gz DAXXRVGJEYZJCV-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001253329494 960645135 /nfs/dbraw/zinc/64/51/35/960645135.db2.gz JJAAVQJQSOQCLW-CQSZACIVSA-N -1 0 323.392 3.827 20 0 DHADRM CC[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573776312 960685547 /nfs/dbraw/zinc/68/55/47/960685547.db2.gz MFBUOBLPEDRTRE-ACJLOTCBSA-N -1 0 305.418 3.565 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1cccc(F)c1 ZINC000236670645 960729027 /nfs/dbraw/zinc/72/90/27/960729027.db2.gz NWSUWWFOTYFJTK-LUAWRHEFSA-N -1 0 313.328 3.874 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236679531 960731044 /nfs/dbraw/zinc/73/10/44/960731044.db2.gz QNAKTKWQQOWHMB-CQSZACIVSA-N -1 0 305.418 3.793 20 0 DHADRM CC/C(=C/C(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236896508 960791784 /nfs/dbraw/zinc/79/17/84/960791784.db2.gz YLUKYHMALXIVTF-RMHQSFGDSA-N -1 0 303.402 3.548 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000237050470 960854135 /nfs/dbraw/zinc/85/41/35/960854135.db2.gz DPVJLQROJCCUJB-NSHDSACASA-N -1 0 323.801 3.981 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000237050557 960854735 /nfs/dbraw/zinc/85/47/35/960854735.db2.gz SWHKRCCATJEYMP-NSHDSACASA-N -1 0 323.801 3.981 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574330747 960884532 /nfs/dbraw/zinc/88/45/32/960884532.db2.gz MDABPGQMBGCZHA-QPJJXVBHSA-N -1 0 305.717 3.592 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001319406231 960944409 /nfs/dbraw/zinc/94/44/09/960944409.db2.gz CJNMSGAFVVVBMS-NZHZHZHDSA-N -1 0 323.392 3.731 20 0 DHADRM Cc1ccc(NC(=O)C[C@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC000237569334 960962994 /nfs/dbraw/zinc/96/29/94/960962994.db2.gz ALDWUUZZBOPHPR-LBPRGKRZSA-N -1 0 315.344 3.965 20 0 DHADRM CCC1(CNC(=O)NCc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001573828184 960987705 /nfs/dbraw/zinc/98/77/05/960987705.db2.gz BWRYJXISEAGLOB-UHFFFAOYSA-N -1 0 318.417 3.545 20 0 DHADRM CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC34CC4)c2C(=O)[O-])C1 ZINC001573830120 961010052 /nfs/dbraw/zinc/01/00/52/961010052.db2.gz NEBDVJCJALNLJL-GXSJLCMTSA-N -1 0 319.426 3.700 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC001324940936 961046788 /nfs/dbraw/zinc/04/67/88/961046788.db2.gz ROQGKRPNQOUGBT-INIZCTEOSA-N -1 0 322.792 3.503 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001574369277 961067031 /nfs/dbraw/zinc/06/70/31/961067031.db2.gz SAZHMMCIWHYGGT-WAYWQWQTSA-N -1 0 319.744 3.616 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573840697 961068961 /nfs/dbraw/zinc/06/89/61/961068961.db2.gz HECGBVPNYHHODJ-GXTWGEPZSA-N -1 0 319.405 3.508 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCc1ccco1 ZINC000238012318 961075325 /nfs/dbraw/zinc/07/53/25/961075325.db2.gz RSUMGIFZJQAJAO-UHFFFAOYSA-N -1 0 309.321 3.702 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574373951 961076452 /nfs/dbraw/zinc/07/64/52/961076452.db2.gz HVMKHQOFRURPTN-BXKDBHETSA-N -1 0 324.808 3.531 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001573841389 961081440 /nfs/dbraw/zinc/08/14/40/961081440.db2.gz SBARJOUMJVWJGJ-ZDUSSCGKSA-N -1 0 306.406 3.601 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2ccccc2)nc1 ZINC000238045048 961086643 /nfs/dbraw/zinc/08/66/43/961086643.db2.gz IDKAVPOSCDQHNB-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000238142718 961124819 /nfs/dbraw/zinc/12/48/19/961124819.db2.gz IIGZUNUWICASHO-UHFFFAOYSA-N -1 0 313.328 3.584 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)C1(Cc2cccs2)CCCCC1 ZINC001573849544 961130951 /nfs/dbraw/zinc/13/09/51/961130951.db2.gz RFTAIWKQUBGWJU-UHFFFAOYSA-N -1 0 323.458 3.564 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C(=O)[O-])c1 ZINC001574386842 961134343 /nfs/dbraw/zinc/13/43/43/961134343.db2.gz BDPBPEAXMORZKD-NFAWXSAZSA-N -1 0 305.418 3.555 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000238194535 961152459 /nfs/dbraw/zinc/15/24/59/961152459.db2.gz VLPNQHGAADJQQX-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM Cc1cn(CC(=O)Nc2c(C)cccc2C(=O)[O-])c2ccccc12 ZINC001574389018 961153047 /nfs/dbraw/zinc/15/30/47/961153047.db2.gz IEBXYRBESRPCSH-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM O=C(/C=C/c1ccco1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000238208981 961161461 /nfs/dbraw/zinc/16/14/61/961161461.db2.gz SYABPLQKHGGGSR-GQCTYLIASA-N -1 0 313.334 3.844 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573864274 961181156 /nfs/dbraw/zinc/18/11/56/961181156.db2.gz AFZKSRAAPLAYPW-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM CCCc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)ccc1Cl ZINC001573864282 961181740 /nfs/dbraw/zinc/18/17/40/961181740.db2.gz AUKNPJYRCWUMRM-UHFFFAOYSA-N -1 0 318.760 3.638 20 0 DHADRM CCCc1ccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001573866591 961193841 /nfs/dbraw/zinc/19/38/41/961193841.db2.gz BKNOLIJWENWMDE-PKNBQFBNSA-N -1 0 300.310 3.549 20 0 DHADRM CC(C)(CC(=O)Nc1cccnc1C(=O)[O-])C1CCCCC1 ZINC001588756294 961223132 /nfs/dbraw/zinc/22/31/32/961223132.db2.gz JWBXZGYXWZNTKB-UHFFFAOYSA-N -1 0 304.390 3.715 20 0 DHADRM CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743928 961225558 /nfs/dbraw/zinc/22/55/58/961225558.db2.gz JPQKKGMLPQLYGW-CHWSQXEVSA-N -1 0 313.850 3.754 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N(C)C(C)(C)CC(=O)[O-])cc1 ZINC001329495848 961274828 /nfs/dbraw/zinc/27/48/28/961274828.db2.gz PSDLFQFPNRZKLH-SREVYHEPSA-N -1 0 317.429 3.925 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000261907126 961398932 /nfs/dbraw/zinc/39/89/32/961398932.db2.gz XJWQVWATRWJMPE-KRWDZBQOSA-N -1 0 309.365 3.671 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000261907128 961398954 /nfs/dbraw/zinc/39/89/54/961398954.db2.gz XJWQVWATRWJMPE-QGZVFWFLSA-N -1 0 309.365 3.671 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588797558 961405824 /nfs/dbraw/zinc/40/58/24/961405824.db2.gz OVMOMXBZHMTPOA-CYBMUJFWSA-N -1 0 304.390 3.570 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C1(C)C ZINC001588797806 961408308 /nfs/dbraw/zinc/40/83/08/961408308.db2.gz VZCSZQGYQPCCNQ-RDBSUJKOSA-N -1 0 309.450 3.621 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262084727 961445152 /nfs/dbraw/zinc/44/51/52/961445152.db2.gz BWCSHSJFQPQKQS-XJKSGUPXSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588812443 961529025 /nfs/dbraw/zinc/52/90/25/961529025.db2.gz FSBKWPJHUCELMV-JOYOIKCWSA-N -1 0 318.291 3.666 20 0 DHADRM O=C([O-])CC1CC(Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC001333149262 961660331 /nfs/dbraw/zinc/66/03/31/961660331.db2.gz TVZJTOUHLGGFCC-UHFFFAOYSA-N -1 0 305.708 3.607 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2=CCCCCC2)cc1 ZINC001333298461 961669232 /nfs/dbraw/zinc/66/92/32/961669232.db2.gz JUVNTBNGOCSBPR-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262376749 961680612 /nfs/dbraw/zinc/68/06/12/961680612.db2.gz YEGOBXGCYSJOJM-NEPJUHHUSA-N -1 0 323.355 3.506 20 0 DHADRM CCc1cccc(F)c1C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573960391 961682123 /nfs/dbraw/zinc/68/21/23/961682123.db2.gz GETORAAOSWJUMO-KRWDZBQOSA-N -1 0 313.372 3.572 20 0 DHADRM CCn1c(C)cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000262423412 961712265 /nfs/dbraw/zinc/71/22/65/961712265.db2.gz AYPQHKORFABISD-UHFFFAOYSA-N -1 0 314.385 3.692 20 0 DHADRM CCCC(O)(CCC)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262528504 961761081 /nfs/dbraw/zinc/76/10/81/961761081.db2.gz PCKPJEWNOWGXJA-UHFFFAOYSA-N -1 0 321.417 3.662 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC001588835194 961761716 /nfs/dbraw/zinc/76/17/16/961761716.db2.gz GLLRUIYEYZNUMY-BRWVUGGUSA-N -1 0 317.429 3.732 20 0 DHADRM CC(C)[C@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC001588841345 961804306 /nfs/dbraw/zinc/80/43/06/961804306.db2.gz XOOSSJCZCCFAFM-UKRRQHHQSA-N -1 0 303.402 3.520 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001588841599 961806297 /nfs/dbraw/zinc/80/62/97/961806297.db2.gz MWBMDFLEOMBNMK-GXTWGEPZSA-N -1 0 319.405 3.506 20 0 DHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262698401 961813213 /nfs/dbraw/zinc/81/32/13/961813213.db2.gz HACZRIVNBRHYRE-AVGNSLFASA-N -1 0 323.820 3.750 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262768759 961858215 /nfs/dbraw/zinc/85/82/15/961858215.db2.gz AELQEJZFWYOMLT-HNNXBMFYSA-N -1 0 317.429 3.549 20 0 DHADRM CC[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262777697 961861925 /nfs/dbraw/zinc/86/19/25/961861925.db2.gz LXAICHNKEFMTNP-IDHHARJASA-N -1 0 317.429 3.720 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588867580 962028372 /nfs/dbraw/zinc/02/83/72/962028372.db2.gz UHUONLLAKOYLEG-XJKSGUPXSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588872428 962096255 /nfs/dbraw/zinc/09/62/55/962096255.db2.gz RRAJNHXJNYBSNL-PKNBQFBNSA-N -1 0 313.353 3.680 20 0 DHADRM CC(C)CC[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001588873163 962096700 /nfs/dbraw/zinc/09/67/00/962096700.db2.gz AIVFQZACSVZABW-SMDDNHRTSA-N -1 0 311.809 3.654 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000263005708 962102355 /nfs/dbraw/zinc/10/23/55/962102355.db2.gz MTMHYCNAIXKHSZ-OLZOCXBDSA-N -1 0 319.392 3.598 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)c2sccc2F)c1Cl ZINC001574600364 962163136 /nfs/dbraw/zinc/16/31/36/962163136.db2.gz YJHWWDLPMQUIRG-UHFFFAOYSA-N -1 0 317.700 3.630 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263049786 962180022 /nfs/dbraw/zinc/18/00/22/962180022.db2.gz NBKGJVLVOFLWMZ-CQSZACIVSA-N -1 0 318.417 3.701 20 0 DHADRM CC(C)C[C@@H](Nc1ccnc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588887569 962187726 /nfs/dbraw/zinc/18/77/26/962187726.db2.gz UHOWJTKFFUUUTO-CYBMUJFWSA-N -1 0 319.792 3.708 20 0 DHADRM COCc1cc(NC(=O)[C@@H](C)CC2CCCC2)cc(C(=O)[O-])c1 ZINC000263067058 962207323 /nfs/dbraw/zinc/20/73/23/962207323.db2.gz ISNZNSVFAJRVRK-LBPRGKRZSA-N -1 0 319.401 3.686 20 0 DHADRM Cc1ccc(-c2ccccc2NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001345122956 962235500 /nfs/dbraw/zinc/23/55/00/962235500.db2.gz UGHFNIWOCNVUTA-TXEJJXNPSA-N -1 0 315.394 3.773 20 0 DHADRM O=C([O-])[C@@H](C(=O)OCc1cccc(C(F)F)c1)C1CCCC1 ZINC001574620508 962241336 /nfs/dbraw/zinc/24/13/36/962241336.db2.gz BSGUWNYNXWIPTO-ZDUSSCGKSA-N -1 0 312.312 3.558 20 0 DHADRM CC(C)Cc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)s1 ZINC001588906053 962274067 /nfs/dbraw/zinc/27/40/67/962274067.db2.gz HLHAOAWAYRZEHH-UHFFFAOYSA-N -1 0 311.447 3.520 20 0 DHADRM CC(C)N(C(=O)c1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001588912763 962328841 /nfs/dbraw/zinc/32/88/41/962328841.db2.gz QIWQJULIBYHKPA-UHFFFAOYSA-N -1 0 301.317 3.579 20 0 DHADRM CC(C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)C1CCCCC1 ZINC001588913051 962333551 /nfs/dbraw/zinc/33/35/51/962333551.db2.gz ZWNWMBACJGCGHY-CMDGGOBGSA-N -1 0 305.374 3.561 20 0 DHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCCCC(=O)[O-] ZINC000263272851 962412474 /nfs/dbraw/zinc/41/24/74/962412474.db2.gz IGZXECIEVDDOII-MRXNPFEDSA-N -1 0 305.418 3.501 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000263281673 962419903 /nfs/dbraw/zinc/41/99/03/962419903.db2.gz JSNWVHINFZPBRD-UHFFFAOYSA-N -1 0 323.392 3.860 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001347623585 962422780 /nfs/dbraw/zinc/42/27/80/962422780.db2.gz DQOCSHJSLRDTSN-DZGCQCFKSA-N -1 0 320.433 3.603 20 0 DHADRM O=C([O-])c1ccc(CC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000263313160 962454402 /nfs/dbraw/zinc/45/44/02/962454402.db2.gz GYUWVRNPNBQUSJ-UHFFFAOYSA-N -1 0 315.413 3.500 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000263323214 962464892 /nfs/dbraw/zinc/46/48/92/962464892.db2.gz NZYQKNCMCUYNSW-GFCCVEGCSA-N -1 0 309.365 3.616 20 0 DHADRM CCC(CC)(CNC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000263333671 962481173 /nfs/dbraw/zinc/48/11/73/962481173.db2.gz VPBALNGBLDZDOZ-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CC(C)OCc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001588935650 962499222 /nfs/dbraw/zinc/49/92/22/962499222.db2.gz UBZYKECITTZGDP-UHFFFAOYSA-N -1 0 313.353 3.562 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000263346800 962499761 /nfs/dbraw/zinc/49/97/61/962499761.db2.gz ZHTHZXGCGVJJBQ-SFHVURJKSA-N -1 0 321.392 3.818 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000263349907 962503287 /nfs/dbraw/zinc/50/32/87/962503287.db2.gz VFMHPAUGRDFNIF-AWEZNQCLSA-N -1 0 323.392 3.836 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580621 1013357740 /nfs/dbraw/zinc/35/77/40/1013357740.db2.gz PQCIMJMZHPCDDJ-APIJFGDWSA-N -1 0 311.466 3.845 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2 ZINC001588968660 962658856 /nfs/dbraw/zinc/65/88/56/962658856.db2.gz QAACZTWUNDQNIR-CVEARBPZSA-N -1 0 317.429 3.660 20 0 DHADRM 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O=C([O-])CCc1cccc(NC(=O)c2ccc3ncccc3c2)c1 ZINC000336876461 968054825 /nfs/dbraw/zinc/05/48/25/968054825.db2.gz FYCQOQOKWRPLHC-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000387216946 968145022 /nfs/dbraw/zinc/14/50/22/968145022.db2.gz KRQOQCJILWWXOT-OAHLLOKOSA-N -1 0 320.433 3.642 20 0 DHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000387841746 968149992 /nfs/dbraw/zinc/14/99/92/968149992.db2.gz DKLVTKWEOACNFP-LLVKDONJSA-N -1 0 317.307 3.699 20 0 DHADRM CC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000683633251 1013793352 /nfs/dbraw/zinc/79/33/52/1013793352.db2.gz CLMWCRIIQWVFLO-UHFFFAOYSA-N -1 0 321.726 3.883 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000568023943 968435733 /nfs/dbraw/zinc/43/57/33/968435733.db2.gz RLWFMGRWSXMVRA-IAGOWNOFSA-N -1 0 317.429 3.501 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000630566967 968537796 /nfs/dbraw/zinc/53/77/96/968537796.db2.gz 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Cc1c(NC(=O)[C@@H]2CCCc3ccccc32)cccc1C(=O)[O-] ZINC000320330668 970649517 /nfs/dbraw/zinc/64/95/17/970649517.db2.gz YMFDLOXKFXAMEQ-MRXNPFEDSA-N -1 0 309.365 3.752 20 0 DHADRM O=C([O-])c1ccc(-c2ccc3[nH]c4c(c3c2)CCCC4)c(CO)c1 ZINC000580096406 1014028498 /nfs/dbraw/zinc/02/84/98/1014028498.db2.gz DIRXYDUIYVDFTH-UHFFFAOYSA-N -1 0 321.376 3.904 20 0 DHADRM C[C@@H]1C[C@H](OC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001605025885 972638058 /nfs/dbraw/zinc/63/80/58/972638058.db2.gz KYEUFSVXBSMPDH-DOMZBBRYSA-N -1 0 320.385 3.522 20 0 DHADRM Cc1c2cc(Cl)ccc2oc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001605066352 972693229 /nfs/dbraw/zinc/69/32/29/972693229.db2.gz GUSNGPLIICICQS-SSDOTTSWSA-N -1 0 306.705 3.633 20 0 DHADRM Cc1c2ccc(F)cc2sc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001605067230 972696147 /nfs/dbraw/zinc/69/61/47/972696147.db2.gz QVFWSSROEQASRV-SSDOTTSWSA-N -1 0 306.318 3.587 20 0 DHADRM CC1(C)[C@@H](CNC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001603336504 972712784 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Cc1cccc([C@H](NC(=O)[C@@H](F)CC2CCCCC2)C(=O)[O-])c1 ZINC001605328354 973181435 /nfs/dbraw/zinc/18/14/35/973181435.db2.gz NRERKACJPFQCDF-HOTGVXAUSA-N -1 0 321.392 3.545 20 0 DHADRM O=C([O-])/C=C\c1cc(C(=O)O[C@@H](c2ccccc2)C(F)F)co1 ZINC001606065190 973207801 /nfs/dbraw/zinc/20/78/01/973207801.db2.gz VYFOZFHTBITURY-AFNCTOJWSA-N -1 0 322.263 3.541 20 0 DHADRM [O-]c1c(Cl)cc(Nc2ccnn2Br)cc1Cl ZINC001210926364 1014089909 /nfs/dbraw/zinc/08/99/09/1014089909.db2.gz FBHZBGRONOIVLM-UHFFFAOYSA-N -1 0 322.977 3.797 20 0 DHADRM NC(=O)Nc1cccc(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210930216 1014090480 /nfs/dbraw/zinc/09/04/80/1014090480.db2.gz JESNEUNEILLAQX-UHFFFAOYSA-N -1 0 312.156 3.933 20 0 DHADRM O=C([O-])CC1(C(=O)Nc2cc(Cl)cc(Cl)c2F)CCC1 ZINC001606071715 973219721 /nfs/dbraw/zinc/21/97/21/973219721.db2.gz OHGQJNPDZIDDDX-UHFFFAOYSA-N -1 0 320.147 3.716 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)ccc1Cl ZINC000656182498 1014093145 /nfs/dbraw/zinc/09/31/45/1014093145.db2.gz NYZMLWAMPPHTSC-UHFFFAOYSA-N 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DHADRM Cc1cccc2nc(N3CCC[C@H](CCC(=O)[O-])C3)sc21 ZINC000662887612 975910932 /nfs/dbraw/zinc/91/09/32/975910932.db2.gz KTIZMAXHORTXNA-GFCCVEGCSA-N -1 0 304.415 3.686 20 0 DHADRM CC(C)c1nc(=N[C@@H]2CCc3cc(F)c(F)c(F)c32)s[n-]1 ZINC000580695682 1014294389 /nfs/dbraw/zinc/29/43/89/1014294389.db2.gz NMKXJTBBSBPJOK-SECBINFHSA-N -1 0 313.348 3.600 20 0 DHADRM CC(C)(C)c1cnc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000665343578 975959279 /nfs/dbraw/zinc/95/92/79/975959279.db2.gz NSXCHENNBHTVJB-UHFFFAOYSA-N -1 0 310.463 3.517 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1F ZINC000668292631 975987802 /nfs/dbraw/zinc/98/78/02/975987802.db2.gz KUOFPWWCZLUVGU-UHFFFAOYSA-N -1 0 319.376 3.608 20 0 DHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])sc21 ZINC000668290785 975987994 /nfs/dbraw/zinc/98/79/94/975987994.db2.gz XXSKTRKSGULUET-GWCFXTLKSA-N -1 0 317.410 3.535 20 0 DHADRM CCC1(CC)CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000668318717 975995924 /nfs/dbraw/zinc/99/59/24/975995924.db2.gz TVFHVGXKWDRNEV-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM CC(C)Oc1ccccc1C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001591795875 976002672 /nfs/dbraw/zinc/00/26/72/976002672.db2.gz QYKRPABAOLJAJX-NSHDSACASA-N -1 0 318.325 3.683 20 0 DHADRM CC(C)Oc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591795891 976004097 /nfs/dbraw/zinc/00/40/97/976004097.db2.gz SIQSZAGTGDXTDY-JTQLQIEISA-N -1 0 306.387 3.802 20 0 DHADRM Cc1nc(-c2ccc(NC(=O)CCCCC(=O)[O-])cc2)oc1C ZINC000674969349 976011438 /nfs/dbraw/zinc/01/14/38/976011438.db2.gz GKLHUKWYSYGIMO-UHFFFAOYSA-N -1 0 316.357 3.542 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC001591907513 976312200 /nfs/dbraw/zinc/31/22/00/976312200.db2.gz RKSVHZYYLYBTBT-XIRDDKMYSA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)NCC2(C(=O)[O-])CCCCC2)CC1 ZINC001591907561 976314255 /nfs/dbraw/zinc/31/42/55/976314255.db2.gz VRHDHOIFQIQHFK-SHTZXODSSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)c1c[nH]c(C=C(C(=O)[O-])c2nc(C(C)(C)C)cs2)n1 ZINC001591922689 976397966 /nfs/dbraw/zinc/39/79/66/976397966.db2.gz FRFXQXUMAVVXCM-UXBLZVDNSA-N -1 0 319.430 3.912 20 0 DHADRM CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1Cl ZINC001591942034 976465402 /nfs/dbraw/zinc/46/54/02/976465402.db2.gz AARKFBUPTNHEOK-UHFFFAOYSA-N -1 0 323.820 3.981 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001591948151 976496790 /nfs/dbraw/zinc/49/67/90/976496790.db2.gz CAXDBAIYSWGMDX-BBWFWOEESA-N -1 0 315.413 3.584 20 0 DHADRM CC(C)c1ccc(CCNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001591954270 976523353 /nfs/dbraw/zinc/52/33/53/976523353.db2.gz PWIISUDMYBHNLI-UHFFFAOYSA-N -1 0 317.410 3.542 20 0 DHADRM CC(C)c1ccc(N(C)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001591957411 976529267 /nfs/dbraw/zinc/52/92/67/976529267.db2.gz HJXXDCGALNQOGK-UHFFFAOYSA-N -1 0 313.397 3.910 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001591957523 976530406 /nfs/dbraw/zinc/53/04/06/976530406.db2.gz MOFGFGWCUWFOOF-LUAWRHEFSA-N -1 0 313.353 3.777 20 0 DHADRM CC(C)c1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001591966252 976562151 /nfs/dbraw/zinc/56/21/51/976562151.db2.gz YHCYLQDCABHNHG-QAPCUYQASA-N -1 0 316.401 3.671 20 0 DHADRM CC(C)c1ccc(NC(=O)c2nc(Cl)cs2)c(C(=O)[O-])c1 ZINC001591967436 976563215 /nfs/dbraw/zinc/56/32/15/976563215.db2.gz AOBANTXPXXCOQG-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccccc1C(=O)[O-])CC2 ZINC001591974010 976583675 /nfs/dbraw/zinc/58/36/75/976583675.db2.gz NLNYZKWHXBJZOU-SFHVURJKSA-N -1 0 323.392 3.926 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](Nc1cnc(C(=O)[O-])cn1)CCC2 ZINC001591980561 976593439 /nfs/dbraw/zinc/59/34/39/976593439.db2.gz HCXNUAUUQHUDLH-OAHLLOKOSA-N -1 0 311.385 3.788 20 0 DHADRM CC(C)c1ccc2ncnc(NCc3ccoc3C(=O)[O-])c2c1 ZINC001591980551 976593513 /nfs/dbraw/zinc/59/35/13/976593513.db2.gz GVFNKUAMMLNZTO-UHFFFAOYSA-N -1 0 311.341 3.657 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](Nc1ncncc1C(=O)[O-])CCC2 ZINC001591981154 976596248 /nfs/dbraw/zinc/59/62/48/976596248.db2.gz PQABUBUVPOLVJD-INIZCTEOSA-N -1 0 311.385 3.788 20 0 DHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(C(=O)[O-])cc1)CC2 ZINC001591981639 976597662 /nfs/dbraw/zinc/59/76/62/976597662.db2.gz UKALXJVPJGKTDV-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001591983795 976604185 /nfs/dbraw/zinc/60/41/85/976604185.db2.gz RVQQRBCAXZQESX-SFHVURJKSA-N -1 0 323.392 3.634 20 0 DHADRM CC(C)c1ccoc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001592003544 976661488 /nfs/dbraw/zinc/66/14/88/976661488.db2.gz WANFGOYMFNYUAR-OAHLLOKOSA-N -1 0 315.369 3.739 20 0 DHADRM CC(C)c1nc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cs1 ZINC001592011760 976689812 /nfs/dbraw/zinc/68/98/12/976689812.db2.gz RUDNGPLVOFMYHY-UHFFFAOYSA-N -1 0 324.446 3.564 20 0 DHADRM CC(C)c1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC001592028573 976729108 /nfs/dbraw/zinc/72/91/08/976729108.db2.gz NBEMWTWKDZSTTP-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1nc2cc(N[C@H](C)c3nc(C(=O)[O-])co3)ccc2o1 ZINC001592030821 976738880 /nfs/dbraw/zinc/73/88/80/976738880.db2.gz YCLOAGMBYHEENQ-SECBINFHSA-N -1 0 315.329 3.811 20 0 DHADRM CC(C)c1nc2ccc(Nc3ccc(C(=O)[O-])nn3)cc2s1 ZINC001592032462 976744384 /nfs/dbraw/zinc/74/43/84/976744384.db2.gz UCYSLSJKSHYIMZ-UHFFFAOYSA-N -1 0 314.370 3.652 20 0 DHADRM O=C([O-])c1coc(-c2cc(F)ccc2OCC2CCOCC2)c1 ZINC000580785354 1014349984 /nfs/dbraw/zinc/34/99/84/1014349984.db2.gz VWQZRQXNYVLIGU-UHFFFAOYSA-N -1 0 320.316 3.589 20 0 DHADRM CC(C)c1nnc(COc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001592060625 976804974 /nfs/dbraw/zinc/80/49/74/976804974.db2.gz FDPPNFHSNLEKCP-UHFFFAOYSA-N -1 0 312.778 3.592 20 0 DHADRM CC(C)c1nnc(COc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001592061606 976819939 /nfs/dbraw/zinc/81/99/39/976819939.db2.gz YBSZYKKLEJCXHC-UHFFFAOYSA-N -1 0 312.778 3.592 20 0 DHADRM CC(C)c1occc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001592102409 976871525 /nfs/dbraw/zinc/87/15/25/976871525.db2.gz KMSRAJLTSSDMAI-UHFFFAOYSA-N -1 0 324.279 3.736 20 0 DHADRM CCOC(=O)c1cc2ccc(-c3cc(F)c(O)cc3F)cn2c1 ZINC001211339397 1014359031 /nfs/dbraw/zinc/35/90/31/1014359031.db2.gz OBOJCNXCLHMGMP-UHFFFAOYSA-N -1 0 317.291 3.767 20 0 DHADRM CC(C)n1ccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001592133377 976975462 /nfs/dbraw/zinc/97/54/62/976975462.db2.gz NPKZMCDAISVTSY-UHFFFAOYSA-N -1 0 323.352 3.568 20 0 DHADRM CC(C)n1nccc1CNc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592170073 977068557 /nfs/dbraw/zinc/06/85/57/977068557.db2.gz VIHFHZXZVZGPEH-UHFFFAOYSA-N -1 0 309.369 3.928 20 0 DHADRM C[C@@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(C)(C)C ZINC001592240391 977454059 /nfs/dbraw/zinc/45/40/59/977454059.db2.gz QFWHWHQDWRJXNL-AJNGGQMLSA-N -1 0 309.450 3.693 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001592361886 977851446 /nfs/dbraw/zinc/85/14/46/977851446.db2.gz IUKTYVBAIMHJCI-NSHDSACASA-N -1 0 317.316 3.667 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCCc2cc(Cl)ccc21 ZINC001592375479 977909056 /nfs/dbraw/zinc/90/90/56/977909056.db2.gz NAATXALZINCSPJ-NSHDSACASA-N -1 0 309.793 3.510 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001592382058 977922939 /nfs/dbraw/zinc/92/29/39/977922939.db2.gz WAURUYGSKNCZOU-KUHUBIRLSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(C2CCCCC2)cs1 ZINC001592395858 977955127 /nfs/dbraw/zinc/95/51/27/977955127.db2.gz PBQAZRPQDFSGEI-SNVBAGLBSA-N -1 0 310.419 3.630 20 0 DHADRM C[C@H](CC(=O)O[C@H]1CCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC001592430216 978061903 /nfs/dbraw/zinc/06/19/03/978061903.db2.gz WFXGWVCOGIUSNC-UGFHNGPFSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592433425 978066934 /nfs/dbraw/zinc/06/69/34/978066934.db2.gz JWQNPVXCKACYNK-LLVKDONJSA-N -1 0 302.301 3.623 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592465242 978205021 /nfs/dbraw/zinc/20/50/21/978205021.db2.gz BCHVEYYXIMZTRN-HBUWYVDXSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001592465778 978208559 /nfs/dbraw/zinc/20/85/59/978208559.db2.gz MNVDRMMBVJQCGA-SECBINFHSA-N -1 0 311.328 3.818 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592466229 978211383 /nfs/dbraw/zinc/21/13/83/978211383.db2.gz SKDGVBZPFYOYIJ-ZDUSSCGKSA-N -1 0 303.402 3.954 20 0 DHADRM C[C@H](CCC(=O)Nc1sccc1C(=O)[O-])c1ccccc1 ZINC001592470012 978216307 /nfs/dbraw/zinc/21/63/07/978216307.db2.gz DUMQAJYFIPRANH-LLVKDONJSA-N -1 0 303.383 3.969 20 0 DHADRM C[C@H](CCC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592470959 978227193 /nfs/dbraw/zinc/22/71/93/978227193.db2.gz OMHXGMHAGCXQLL-OAHLLOKOSA-N -1 0 317.429 3.816 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592477051 978239773 /nfs/dbraw/zinc/23/97/73/978239773.db2.gz DGWPMBHSYVXKLB-HBUWYVDXSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592478277 978251220 /nfs/dbraw/zinc/25/12/20/978251220.db2.gz SQTBQKIFGZBRHE-WTANOLMUSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592492494 978287800 /nfs/dbraw/zinc/28/78/00/978287800.db2.gz UVVNHOAIHGIOBV-GOEBONIOSA-N -1 0 319.445 3.651 20 0 DHADRM C[C@H](CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2)CC(C)(C)C ZINC001592513714 978348608 /nfs/dbraw/zinc/34/86/08/978348608.db2.gz ROMFCLFWHUHDFK-NLNFPOJYSA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccsc1)c1ccccc1 ZINC000736850556 978363073 /nfs/dbraw/zinc/36/30/73/978363073.db2.gz WYTDHXOUKJBRGS-WFASDCNBSA-N -1 0 317.410 3.748 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccc(C)cc1 ZINC000736891844 978364342 /nfs/dbraw/zinc/36/43/42/978364342.db2.gz GOPKZKMXXLBGJI-ZDUSSCGKSA-N -1 0 314.385 3.852 20 0 DHADRM C[C@@H](CCO)S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592529796 978390211 /nfs/dbraw/zinc/39/02/11/978390211.db2.gz VGDMXBGHBBJLNI-WRWORJQWSA-N -1 0 309.214 3.623 20 0 DHADRM C[C@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])o1 ZINC001592537095 978409701 /nfs/dbraw/zinc/40/97/01/978409701.db2.gz DAKLGJHKUJDPFC-LLVKDONJSA-N -1 0 320.366 3.706 20 0 DHADRM C[C@H](CN(C(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)C1CC1)C(=O)[O-] ZINC001592557823 978448666 /nfs/dbraw/zinc/44/86/66/978448666.db2.gz SGZMRDQNZCHVJZ-GYFFSSTGSA-N -1 0 321.461 3.717 20 0 DHADRM C[C@H](CN(C)C(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC001592573971 978467799 /nfs/dbraw/zinc/46/77/99/978467799.db2.gz DETYDNPIRWOEOX-CQSZACIVSA-N -1 0 317.429 3.602 20 0 DHADRM C[C@@H](CN(Cc1scnc1Cl)Cc1ccccc1)C(=O)[O-] ZINC001592604656 978545460 /nfs/dbraw/zinc/54/54/60/978545460.db2.gz KKGOMYXXCCQBIR-NSHDSACASA-N -1 0 324.833 3.519 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738552427 978555315 /nfs/dbraw/zinc/55/53/15/978555315.db2.gz RXUORFQQVORUKS-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM COCc1cc(NC(=O)C[C@H]2CCC[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000427667538 1014510559 /nfs/dbraw/zinc/51/05/59/1014510559.db2.gz CMETXRZRBAVFQB-STQMWFEESA-N -1 0 319.401 3.686 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000684133967 1014510600 /nfs/dbraw/zinc/51/06/00/1014510600.db2.gz YIWPTVWODZNYHY-HZPDHXFCSA-N -1 0 315.413 3.980 20 0 DHADRM Cc1oc([C@@H](C)N(C)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000581016769 1014515307 /nfs/dbraw/zinc/51/53/07/1014515307.db2.gz DWDOPKNFYASNJX-SECBINFHSA-N -1 0 309.312 3.757 20 0 DHADRM Cc1oc([C@H](C)N(C)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000581016770 1014515494 /nfs/dbraw/zinc/51/54/94/1014515494.db2.gz DWDOPKNFYASNJX-VIFPVBQESA-N -1 0 309.312 3.757 20 0 DHADRM O=C([O-])c1ccc(CNCc2ccccc2OC2CCCC2)o1 ZINC000756285606 978697022 /nfs/dbraw/zinc/69/70/22/978697022.db2.gz KFBHWCFGWZRMHL-UHFFFAOYSA-N -1 0 315.369 3.589 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)CC(C)(C)CC(=O)[O-] ZINC000761478376 978710601 /nfs/dbraw/zinc/71/06/01/978710601.db2.gz FFLPFCKYLKYDQI-UHFFFAOYSA-N -1 0 317.429 3.764 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000761729223 978714683 /nfs/dbraw/zinc/71/46/83/978714683.db2.gz 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ZINC000811812222 978855898 /nfs/dbraw/zinc/85/58/98/978855898.db2.gz OWCIBNPLUQYJEC-SNVBAGLBSA-N -1 0 303.745 3.529 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816327 978860033 /nfs/dbraw/zinc/86/00/33/978860033.db2.gz TXXJQMLHYGRLFZ-QMTHXVAHSA-N -1 0 309.793 3.737 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1ccc(C(C)C)cc1 ZINC000828652962 978986670 /nfs/dbraw/zinc/98/66/70/978986670.db2.gz VQFQKNCDDJFJDM-MRXNPFEDSA-N -1 0 308.447 3.740 20 0 DHADRM CCc1ccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830254294 979015750 /nfs/dbraw/zinc/01/57/50/979015750.db2.gz XZROOCQWQMGBPD-KRWDZBQOSA-N -1 0 315.369 3.504 20 0 DHADRM CC[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001595033476 979176339 /nfs/dbraw/zinc/17/63/39/979176339.db2.gz KZCXBSWOIAMQLA-AWEZNQCLSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001595033706 979177634 /nfs/dbraw/zinc/17/76/34/979177634.db2.gz QIAXMPUWHVKMHV-CYBMUJFWSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C(C)(C)C ZINC001595033660 979178077 /nfs/dbraw/zinc/17/80/77/979178077.db2.gz OVGUIFPJDMZWRS-LSDHHAIUSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)C(C)(C)C ZINC001595033995 979180130 /nfs/dbraw/zinc/18/01/30/979180130.db2.gz XJCGWOJJIDEYMV-ACJLOTCBSA-N -1 0 311.466 3.989 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595035318 979183397 /nfs/dbraw/zinc/18/33/97/979183397.db2.gz CJMLUHSMUJZXEX-HOCLYGCPSA-N -1 0 305.418 3.618 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595036265 979192703 /nfs/dbraw/zinc/19/27/03/979192703.db2.gz QLAHSFBGZNQOGQ-LBPRGKRZSA-N -1 0 314.385 3.944 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000263498836 1014557423 /nfs/dbraw/zinc/55/74/23/1014557423.db2.gz KHXKLEDHRKSJOZ-ONGXEEELSA-N -1 0 302.201 3.679 20 0 DHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)c1ccc(F)c(F)c1 ZINC001595047722 979259053 /nfs/dbraw/zinc/25/90/53/979259053.db2.gz FPOLDMKPFDSUOR-SNVBAGLBSA-N -1 0 314.328 3.850 20 0 DHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1cccc(C(F)F)c1 ZINC001595048721 979267947 /nfs/dbraw/zinc/26/79/47/979267947.db2.gz JNPSWDDXBXCJSC-UHFFFAOYSA-N -1 0 314.328 3.949 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CCc2c1cccc2Cl ZINC001595048972 979270773 /nfs/dbraw/zinc/27/07/73/979270773.db2.gz XBLCBTSMXVXTAO-ZDUSSCGKSA-N -1 0 323.820 3.520 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccccc1C ZINC001595049371 979271351 /nfs/dbraw/zinc/27/13/51/979271351.db2.gz BAAGLWSMSVNHPT-KAMYIIQDSA-N -1 0 303.402 3.548 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(SC)c1C ZINC001595050782 979280592 /nfs/dbraw/zinc/28/05/92/979280592.db2.gz YTRQQKUQPFTWCL-UHFFFAOYSA-N -1 0 324.446 3.872 20 0 DHADRM O=C([O-])c1cccc(CNc2cccc(N3CCCCC3)c2)c1 ZINC000840994385 979292213 /nfs/dbraw/zinc/29/22/13/979292213.db2.gz RJBYITRWBGQIAX-UHFFFAOYSA-N -1 0 310.397 3.987 20 0 DHADRM CCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501728 979303469 /nfs/dbraw/zinc/30/34/69/979303469.db2.gz QPJJIDSGEQMAPK-UHFFFAOYSA-N -1 0 304.390 3.504 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841503323 979305884 /nfs/dbraw/zinc/30/58/84/979305884.db2.gz QKXXGOQDCAPPTM-ZDUSSCGKSA-N -1 0 318.417 3.606 20 0 DHADRM CCC(CC)(CNC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001595064384 979325401 /nfs/dbraw/zinc/32/54/01/979325401.db2.gz IHBVNVGVSXIXIL-HNNXBMFYSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@H](COC(=O)c1cc(C(=O)[O-])ccc1Cl)CC(F)(F)F ZINC001592771613 979388138 /nfs/dbraw/zinc/38/81/38/979388138.db2.gz HCPWKJQNADHRLL-ZETCQYMHSA-N -1 0 324.682 3.784 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000844252551 979394929 /nfs/dbraw/zinc/39/49/29/979394929.db2.gz HSNGULNJPOVVTG-UHFFFAOYSA-N -1 0 324.380 3.574 20 0 DHADRM CCC(CC)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001595105133 979419757 /nfs/dbraw/zinc/41/97/57/979419757.db2.gz ALFVKCULVKNCCH-UHFFFAOYSA-N -1 0 300.354 3.809 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595105233 979420569 /nfs/dbraw/zinc/42/05/69/979420569.db2.gz GFNNXQWAZMGNAV-FZKQIMNGSA-N -1 0 305.418 3.565 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000848875079 979479390 /nfs/dbraw/zinc/47/93/90/979479390.db2.gz MWQVSXLPNCTNCH-MNOVXSKESA-N -1 0 305.399 3.579 20 0 DHADRM CCC(CC)c1nnc(NCc2ccc(C(=O)[O-])cc2)s1 ZINC001595122026 979500780 /nfs/dbraw/zinc/50/07/80/979500780.db2.gz JPWZPTARVRMIKI-UHFFFAOYSA-N -1 0 305.403 3.752 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2CCC3(CC3)CC2)cc1Cl ZINC000851592843 979501951 /nfs/dbraw/zinc/50/19/51/979501951.db2.gz GKDITLZUQWMJIA-UHFFFAOYSA-N -1 0 307.777 3.947 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000851593964 979504321 /nfs/dbraw/zinc/50/43/21/979504321.db2.gz DYGILNXFZPTVJD-FNORWQNLSA-N -1 0 317.385 3.564 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)o1 ZINC000851595875 979509556 /nfs/dbraw/zinc/50/95/56/979509556.db2.gz RCGMTLZZIUPFIZ-GDXASINISA-N -1 0 317.385 3.562 20 0 DHADRM CC(C)c1cccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000851595922 979510065 /nfs/dbraw/zinc/51/00/65/979510065.db2.gz IVJZPXMHKSZTRY-QGZVFWFLSA-N -1 0 311.381 3.708 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595125946 979513105 /nfs/dbraw/zinc/51/31/05/979513105.db2.gz QEPSOWRGJYXZIV-FVQBIDKESA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001595126157 979515235 /nfs/dbraw/zinc/51/52/35/979515235.db2.gz RGNNIRBZEILLLN-DZGCQCFKSA-N -1 0 323.458 3.987 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595126550 979519189 /nfs/dbraw/zinc/51/91/89/979519189.db2.gz XAJUHDLHRODQHZ-GDBMZVCRSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@H](CNC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595139384 979591816 /nfs/dbraw/zinc/59/18/16/979591816.db2.gz LJBLQOGGZURSGC-PPXVZNSRSA-N -1 0 323.477 3.846 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)C2CCC2)cc1)C(=O)[O-] ZINC001592857811 979667108 /nfs/dbraw/zinc/66/71/08/979667108.db2.gz MUKPSDJUNFXMSD-LBPRGKRZSA-N -1 0 303.402 3.715 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000864102835 979688043 /nfs/dbraw/zinc/68/80/43/979688043.db2.gz ASALXCROWPHTQO-HLRDLLSLSA-N -1 0 317.385 3.562 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000864103749 979688925 /nfs/dbraw/zinc/68/89/25/979688925.db2.gz PQZXENYPAXPDLW-NSHDSACASA-N -1 0 303.383 3.588 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000864113243 979705222 /nfs/dbraw/zinc/70/52/22/979705222.db2.gz NRVYIZRSCSBOQT-PBHICJAKSA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592867957 979717108 /nfs/dbraw/zinc/71/71/08/979717108.db2.gz SWTWKQAJHCUZJU-DWQUBVKVSA-N -1 0 318.417 3.506 20 0 DHADRM Cc1ccc(C(=O)N2CCCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000864130637 979731959 /nfs/dbraw/zinc/73/19/59/979731959.db2.gz XXUAHJFRIVKWJI-HNNXBMFYSA-N -1 0 303.402 3.734 20 0 DHADRM CSCCCCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000864137899 979741316 /nfs/dbraw/zinc/74/13/16/979741316.db2.gz NVAXYSAIRKCCBN-CQSZACIVSA-N -1 0 321.442 3.515 20 0 DHADRM CC[C@@](CNc1nc(Cl)cs1)(C(=O)[O-])c1ccccc1 ZINC001595176030 979763472 /nfs/dbraw/zinc/76/34/72/979763472.db2.gz LNOXPRIWBGPNMH-AWEZNQCLSA-N -1 0 310.806 3.641 20 0 DHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592884852 979766520 /nfs/dbraw/zinc/76/65/20/979766520.db2.gz CXXJXGJGPUKNKR-NSHDSACASA-N -1 0 318.756 3.822 20 0 DHADRM C[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@@H](C)C1 ZINC000864177566 979822461 /nfs/dbraw/zinc/82/24/61/979822461.db2.gz OQVGRPZUVIDDKD-IAZYJMLFSA-N -1 0 309.793 3.593 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1 ZINC000864178750 979824788 /nfs/dbraw/zinc/82/47/88/979824788.db2.gz BNRYAPVRNVCDOJ-VQTKUKTRSA-N -1 0 301.386 3.512 20 0 DHADRM C[C@H](Cc1ccno1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592902983 979831366 /nfs/dbraw/zinc/83/13/66/979831366.db2.gz SRACGLZMVAPRRI-SECBINFHSA-N -1 0 302.355 3.631 20 0 DHADRM C[C@H](Cc1nnc(NCc2cc(C(=O)[O-])co2)o1)CC(C)(C)C ZINC001592912537 979879348 /nfs/dbraw/zinc/87/93/48/979879348.db2.gz JRCOFPFPBXZNGE-SNVBAGLBSA-N -1 0 321.377 3.588 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000864202166 979881581 /nfs/dbraw/zinc/88/15/81/979881581.db2.gz OIQYGIFSAJIEER-DTWKUNHWSA-N -1 0 315.291 3.593 20 0 DHADRM CCO[C@@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC000864225295 979909832 /nfs/dbraw/zinc/90/98/32/979909832.db2.gz PONFTPQJSVIKOF-MRXNPFEDSA-N -1 0 315.369 3.538 20 0 DHADRM CCc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228966 979922175 /nfs/dbraw/zinc/92/21/75/979922175.db2.gz HGYKUKJUTZXHHX-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2cccnc2Cl)cc1 ZINC000864523416 979942881 /nfs/dbraw/zinc/94/28/81/979942881.db2.gz 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DHADRM CCCC(=CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)CCC ZINC001595520769 981336725 /nfs/dbraw/zinc/33/67/25/981336725.db2.gz JLWVGNWRDAUZOQ-UHFFFAOYSA-N -1 0 322.430 3.863 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000908679114 981337769 /nfs/dbraw/zinc/33/77/69/981337769.db2.gz VIYDFGOIHQOZKD-UHFFFAOYSA-N -1 0 317.429 3.701 20 0 DHADRM O=C([O-])C12CCC(C(=O)NC3CCCCCCC3)(CC1)CC2 ZINC000908693064 981340419 /nfs/dbraw/zinc/34/04/19/981340419.db2.gz CPHRHXOSLPHFIX-UHFFFAOYSA-N -1 0 307.434 3.641 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908709025 981344198 /nfs/dbraw/zinc/34/41/98/981344198.db2.gz FSKJYTGQFHWEPP-YCMKEVRSSA-N -1 0 315.413 3.597 20 0 DHADRM CSCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908784827 981362166 /nfs/dbraw/zinc/36/21/66/981362166.db2.gz JLETXQTYJBGUGQ-UHFFFAOYSA-N -1 0 319.426 3.523 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000908841677 981374902 /nfs/dbraw/zinc/37/49/02/981374902.db2.gz 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/nfs/dbraw/zinc/47/67/97/981476797.db2.gz JDRWRJLKTZSIMA-UHFFFAOYSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001595571995 981482227 /nfs/dbraw/zinc/48/22/27/981482227.db2.gz NBJFNKOFBODPEG-JTQLQIEISA-N -1 0 303.358 3.527 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595574842 981494011 /nfs/dbraw/zinc/49/40/11/981494011.db2.gz XZQVLBKANRWKAB-GJZGRUSLSA-N -1 0 324.465 3.632 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909480992 981505785 /nfs/dbraw/zinc/50/57/85/981505785.db2.gz FCHKTPBMWNCDRS-OKACTXMXSA-N -1 0 315.413 3.502 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(C3CCC3)c2)cc1 ZINC000909505536 981514226 /nfs/dbraw/zinc/51/42/26/981514226.db2.gz PZOZBGSOVXEPSB-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595585691 981525236 /nfs/dbraw/zinc/52/52/36/981525236.db2.gz ADYLTRIRLKPQFW-GDBMZVCRSA-N -1 0 323.408 3.920 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595585840 981526625 /nfs/dbraw/zinc/52/66/25/981526625.db2.gz FSQBTPGACAJUML-SMDDNHRTSA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@H](CC)C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595585970 981527824 /nfs/dbraw/zinc/52/78/24/981527824.db2.gz KDFQYEUJJAKSIC-GOEBONIOSA-N -1 0 305.418 3.877 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001595587103 981538875 /nfs/dbraw/zinc/53/88/75/981538875.db2.gz AOSNONSOUHPAIO-HZPDHXFCSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001595587230 981539916 /nfs/dbraw/zinc/53/99/16/981539916.db2.gz GHQQQDUDRSTBSA-IAGOWNOFSA-N -1 0 323.477 3.990 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595587447 981541808 /nfs/dbraw/zinc/54/18/08/981541808.db2.gz MUBHNXLKMPTJAJ-MRXNPFEDSA-N -1 0 317.429 3.998 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595587653 981543463 /nfs/dbraw/zinc/54/34/63/981543463.db2.gz UGBJFZHCWLZVPS-CYBMUJFWSA-N -1 0 306.406 3.658 20 0 DHADRM CCC[C@H](CC)S[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595587891 981544697 /nfs/dbraw/zinc/54/46/97/981544697.db2.gz ZLQBXFGDNFONTC-KBPBESRZSA-N -1 0 310.415 3.911 20 0 DHADRM CCC[C@H](CC)S[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595587893 981544870 /nfs/dbraw/zinc/54/48/70/981544870.db2.gz ZLQBXFGDNFONTC-UONOGXRCSA-N -1 0 310.415 3.911 20 0 DHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000909741144 981588083 /nfs/dbraw/zinc/58/80/83/981588083.db2.gz ZMFBRUSGWDLVPD-HNNXBMFYSA-N -1 0 311.381 3.536 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@]1(CC)CCc1ccccc1 ZINC001594742400 981617076 /nfs/dbraw/zinc/61/70/76/981617076.db2.gz BIINARXYKCKZKO-LPHOPBHVSA-N -1 0 317.429 3.501 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001594743481 981623710 /nfs/dbraw/zinc/62/37/10/981623710.db2.gz SNQXCETVRMRZFP-KGLIPLIRSA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001594743561 981624812 /nfs/dbraw/zinc/62/48/12/981624812.db2.gz WJCVIOSUNGWXKS-HOTGVXAUSA-N -1 0 317.429 3.758 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001594747886 981640846 /nfs/dbraw/zinc/64/08/46/981640846.db2.gz MBQHLUBJCJTVQB-LSDHHAIUSA-N -1 0 323.820 3.798 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595617494 981653895 /nfs/dbraw/zinc/65/38/95/981653895.db2.gz ODUPAIYTBHFCOC-LSDHHAIUSA-N -1 0 324.465 3.774 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2c1 ZINC000909844696 981668298 /nfs/dbraw/zinc/66/82/98/981668298.db2.gz WGMRJJJABHRHMB-KRWDZBQOSA-N -1 0 317.410 3.537 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595621284 981697938 /nfs/dbraw/zinc/69/79/38/981697938.db2.gz FYEABXGTQDTTIS-VHSXEESVSA-N -1 0 310.419 3.559 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595621283 981698114 /nfs/dbraw/zinc/69/81/14/981698114.db2.gz FYEABXGTQDTTIS-UWVGGRQHSA-N -1 0 310.419 3.559 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595623006 981716534 /nfs/dbraw/zinc/71/65/34/981716534.db2.gz ZTGZIBSPLYQBDX-GJZGRUSLSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cscc1Cl)c1ccccc1 ZINC001594771389 981747372 /nfs/dbraw/zinc/74/73/72/981747372.db2.gz VTBPEFVPDQYDSY-CYBMUJFWSA-N -1 0 323.801 3.912 20 0 DHADRM CCCC[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(C)C ZINC001595627388 981771380 /nfs/dbraw/zinc/77/13/80/981771380.db2.gz BZTDKFTUKIUILZ-VGWMRTNUSA-N -1 0 309.450 3.693 20 0 DHADRM CC[C@@H](C(=O)O[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594777941 981771748 /nfs/dbraw/zinc/77/17/48/981771748.db2.gz GOQJJCJRYQGVAB-BXKDBHETSA-N -1 0 318.291 3.605 20 0 DHADRM CCCC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC001595627493 981773219 /nfs/dbraw/zinc/77/32/19/981773219.db2.gz HULNMIZXFJIQQB-MRXNPFEDSA-N -1 0 305.418 3.806 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCCCC1(C)C ZINC001594779468 981781276 /nfs/dbraw/zinc/78/12/76/981781276.db2.gz ACRGRBJXSBNCBV-KSSFIOAISA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001594782114 981789244 /nfs/dbraw/zinc/78/92/44/981789244.db2.gz NJXCPIPHOCUKSS-LIRRHRJNSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001594782415 981790647 /nfs/dbraw/zinc/79/06/47/981790647.db2.gz PCBAJZBBSUGYPP-SPYBWZPUSA-N -1 0 321.461 3.717 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)CC ZINC000910233539 981797346 /nfs/dbraw/zinc/79/73/46/981797346.db2.gz OEIPZMJUYMRNBG-WZSVVFSGSA-N -1 0 321.348 3.529 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)CC ZINC000910233538 981797533 /nfs/dbraw/zinc/79/75/33/981797533.db2.gz OEIPZMJUYMRNBG-RJWCCUNMSA-N -1 0 321.348 3.529 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1sccc1Cl ZINC001594784999 981802331 /nfs/dbraw/zinc/80/23/31/981802331.db2.gz JMBJEDOGXGDXEV-AWEZNQCLSA-N -1 0 315.822 3.507 20 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/nfs/dbraw/zinc/84/62/46/981846246.db2.gz HGCICAIHMRXHQW-ZBFHGGJFSA-N -1 0 305.418 3.762 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c(Cl)c1 ZINC001594794237 981868858 /nfs/dbraw/zinc/86/88/58/981868858.db2.gz XRQCSVGSUUSWLQ-QGZVFWFLSA-N -1 0 323.820 3.754 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594794987 981874661 /nfs/dbraw/zinc/87/46/61/981874661.db2.gz WLBWOANOAXQXKJ-MRVPVSSYSA-N -1 0 314.332 3.609 20 0 DHADRM CCC(C)(C)CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001594802140 981899846 /nfs/dbraw/zinc/89/98/46/981899846.db2.gz YGSBRUKOTSPYDZ-GFCCVEGCSA-N -1 0 306.406 3.508 20 0 DHADRM CCC(C)(C)CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001594808256 981915610 /nfs/dbraw/zinc/91/56/10/981915610.db2.gz KBDOLFHFSNVIIJ-UHFFFAOYSA-N -1 0 303.402 3.799 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001594814418 981937974 /nfs/dbraw/zinc/93/79/74/981937974.db2.gz MQAHSDQRQWZUCN-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CCCCN(C(=O)CCSCC(=O)[O-])[C@H](C)c1ccccc1 ZINC000910536343 981986224 /nfs/dbraw/zinc/98/62/24/981986224.db2.gz OWSMIACPYJAMHQ-CQSZACIVSA-N -1 0 323.458 3.584 20 0 DHADRM CCCC[C@@H](Nc1ccc(OC2CCOCC2)c(C)c1)C(=O)[O-] ZINC001595646792 982001363 /nfs/dbraw/zinc/00/13/63/982001363.db2.gz UTNWEHPDTTYLNL-MRXNPFEDSA-N -1 0 321.417 3.608 20 0 DHADRM CCC(C)(CC)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001594830262 982011404 /nfs/dbraw/zinc/01/14/04/982011404.db2.gz USRJQNLWZLCZJY-UHFFFAOYSA-N -1 0 312.435 3.904 20 0 DHADRM CCCC[C@@H](OC(=O)/C=C\c1ccc(Cl)s1)C(=O)[O-] ZINC001595651435 982021147 /nfs/dbraw/zinc/02/11/47/982021147.db2.gz UJWYBWIJTCITNL-BJPMOSCESA-N -1 0 302.779 3.601 20 0 DHADRM CCCC[C@H](SCc1noc(-c2cccs2)n1)C(=O)[O-] ZINC001595657358 982062193 /nfs/dbraw/zinc/06/21/93/982062193.db2.gz MGWMNJLITXPIRU-JTQLQIEISA-N -1 0 312.416 3.675 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698244 982068964 /nfs/dbraw/zinc/06/89/64/982068964.db2.gz ALUZSRIXTJQYGZ-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595660273 982069596 /nfs/dbraw/zinc/06/95/96/982069596.db2.gz CIWHKTWHYDWRDE-DOMZBBRYSA-N -1 0 304.390 3.865 20 0 DHADRM CC/C(C)=C(/C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910724736 982088355 /nfs/dbraw/zinc/08/83/55/982088355.db2.gz SYLSYLDHIAHTGQ-PRDAAYKISA-N -1 0 322.430 3.560 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910732772 982093813 /nfs/dbraw/zinc/09/38/13/982093813.db2.gz MRNWQZLMCRINRH-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595665979 982096091 /nfs/dbraw/zinc/09/60/91/982096091.db2.gz AJYIBJHICXMTDX-PXAZEXFGSA-N -1 0 323.408 3.983 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)CC ZINC000910741313 982101663 /nfs/dbraw/zinc/10/16/63/982101663.db2.gz SINFVSXEZMOPTL-MXJIWBSISA-N -1 0 306.387 3.570 20 0 DHADRM CC(C)c1occc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910744787 982106086 /nfs/dbraw/zinc/10/60/86/982106086.db2.gz ZGQOCECUZNXOAU-UHFFFAOYSA-N -1 0 320.370 3.687 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595666815 982107149 /nfs/dbraw/zinc/10/71/49/982107149.db2.gz SSGMMXBQCJSNLY-FQRJBHLQSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCC[C@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595666838 982108395 /nfs/dbraw/zinc/10/83/95/982108395.db2.gz ULLULTUMCIZMTR-VBNZEHGJSA-N -1 0 318.417 3.965 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595668547 982109980 /nfs/dbraw/zinc/10/99/80/982109980.db2.gz AUDZKFKHMFMYQU-PBHICJAKSA-N -1 0 317.429 3.631 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H](CC)Sc1ccccc1)C(=O)[O-] ZINC001595670593 982119202 /nfs/dbraw/zinc/11/92/02/982119202.db2.gz SFGDZRYMHNSOOQ-GJZGRUSLSA-N -1 0 323.458 3.707 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595670669 982120192 /nfs/dbraw/zinc/12/01/92/982120192.db2.gz STAMRIIFFIVJGZ-GDBMZVCRSA-N -1 0 317.429 3.883 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595670734 982120920 /nfs/dbraw/zinc/12/09/20/982120920.db2.gz VCIXJHGIGUSREP-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@H](NC(=O)CCCc1sccc1C)C(=O)[O-] ZINC001595671872 982126577 /nfs/dbraw/zinc/12/65/77/982126577.db2.gz HPGGOJOGUNQWPH-ZDUSSCGKSA-N -1 0 311.447 3.529 20 0 DHADRM CCCCC[C@@H](NC(=O)NCCCCC(=O)[O-])C(C)(C)C ZINC001595671983 982128542 /nfs/dbraw/zinc/12/85/42/982128542.db2.gz AMFWKHVJAANFDA-CYBMUJFWSA-N -1 0 300.443 3.536 20 0 DHADRM CC/C(C)=C/C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594861032 982143453 /nfs/dbraw/zinc/14/34/53/982143453.db2.gz VKJMOGUHFVKIRV-OFAQMXQXSA-N -1 0 309.793 3.502 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2c(cccc2F)s1)C(=O)[O-] ZINC001595676721 982148018 /nfs/dbraw/zinc/14/80/18/982148018.db2.gz NUFUAYGNYCPTDH-LBPRGKRZSA-N -1 0 323.389 3.804 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594862245 982153900 /nfs/dbraw/zinc/15/39/00/982153900.db2.gz VHQMEJPXYYLHCO-GZKZCVOOSA-N -1 0 311.381 3.828 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC001595680583 982155400 /nfs/dbraw/zinc/15/54/00/982155400.db2.gz BFCYYEASLWPUGI-MRVPVSSYSA-N -1 0 323.336 3.530 20 0 DHADRM CCCCC[C@H](NC(=O)c1cccc2c1CCCCC2)C(=O)[O-] ZINC001595680818 982157665 /nfs/dbraw/zinc/15/76/65/982157665.db2.gz GQUYCWKNDXSMLS-KRWDZBQOSA-N -1 0 317.429 3.719 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(O[C@@H](C)CC)cc1)C(=O)[O-] ZINC001595681990 982166073 /nfs/dbraw/zinc/16/60/73/982166073.db2.gz ZLDLCPHIPLUIPK-BBRMVZONSA-N -1 0 321.417 3.627 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595690458 982196804 /nfs/dbraw/zinc/19/68/04/982196804.db2.gz OEKUKAVJESITCB-OAHLLOKOSA-N -1 0 303.402 3.878 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595691075 982204902 /nfs/dbraw/zinc/20/49/02/982204902.db2.gz ZCWYHUKSMFCMNP-OWCLPIDISA-N -1 0 324.465 3.774 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595694678 982213537 /nfs/dbraw/zinc/21/35/37/982213537.db2.gz GSZCBUKTJLPPPG-QWRGUYRKSA-N -1 0 312.435 3.625 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001595695168 982217110 /nfs/dbraw/zinc/21/71/10/982217110.db2.gz PVHUUNIZUGTZOT-MRXNPFEDSA-N -1 0 307.394 3.500 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C3CC3)nc2C)cc(C(=O)[O-])c1 ZINC000911072906 982225851 /nfs/dbraw/zinc/22/58/51/982225851.db2.gz NCJGMCSVLNIBQF-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001595697967 982247301 /nfs/dbraw/zinc/24/73/01/982247301.db2.gz OGVKGZIMLAETQY-RWBZWWBESA-N -1 0 309.450 3.696 20 0 DHADRM CCCCCC[C@H](C)CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595698787 982254332 /nfs/dbraw/zinc/25/43/32/982254332.db2.gz VBSNCEBFCREFOD-DAYGRLMNSA-N -1 0 309.450 3.839 20 0 DHADRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(Cl)n1 ZINC000188719196 1014821543 /nfs/dbraw/zinc/82/15/43/1014821543.db2.gz PHVWJRKZCLTGFE-LLVKDONJSA-N -1 0 311.728 3.675 20 0 DHADRM CCCCCCNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595712229 982304854 /nfs/dbraw/zinc/30/48/54/982304854.db2.gz LOJYECIYPCCXDO-UHFFFAOYSA-N -1 0 303.362 3.568 20 0 DHADRM CCCCCN(Cc1ccc(F)cc1)c1cnc(C(=O)[O-])cn1 ZINC001595716096 982319917 /nfs/dbraw/zinc/31/99/17/982319917.db2.gz QLFXEJPVLMUMKG-UHFFFAOYSA-N -1 0 317.364 3.511 20 0 DHADRM CCC[C@@H](CC)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911313398 982333109 /nfs/dbraw/zinc/33/31/09/982333109.db2.gz HKCOAVVWZSBNIV-NWDGAFQWSA-N -1 0 309.431 3.560 20 0 DHADRM CCCCN(C(=O)Nc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001595731757 982364068 /nfs/dbraw/zinc/36/40/68/982364068.db2.gz HNUYSMZLHCFUCV-UHFFFAOYSA-N -1 0 319.405 3.747 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)c1ccc(C)o1 ZINC001595732185 982367729 /nfs/dbraw/zinc/36/77/29/982367729.db2.gz SDSGVPYVUMPOQS-QLFBSQMISA-N -1 0 321.417 3.779 20 0 DHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@H](C)C1 ZINC001595735831 982380070 /nfs/dbraw/zinc/38/00/70/982380070.db2.gz MRFTZYIIFTTYQW-UONOGXRCSA-N -1 0 318.417 3.601 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594913308 982429734 /nfs/dbraw/zinc/42/97/34/982429734.db2.gz ZAILMDJURJWMNP-DYVFJYSZSA-N -1 0 317.429 3.963 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911453018 982438216 /nfs/dbraw/zinc/43/82/16/982438216.db2.gz YFGPWEUZLYEJHV-ZNMIVQPWSA-N -1 0 321.804 3.504 20 0 DHADRM CCCCOC(=O)CS[C@H](C(=O)[O-])c1ccccc1Cl ZINC001595764851 982485953 /nfs/dbraw/zinc/48/59/53/982485953.db2.gz ZRPSOSMDTLHLKT-ZDUSSCGKSA-N -1 0 316.806 3.542 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595786374 982575643 /nfs/dbraw/zinc/57/56/43/982575643.db2.gz VEAGGEVXRGUJBS-SECBINFHSA-N -1 0 301.433 3.615 20 0 DHADRM CCCCSCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595788905 982586829 /nfs/dbraw/zinc/58/68/29/982586829.db2.gz HQXYCWSIWKFZQY-UHFFFAOYSA-N -1 0 301.433 3.535 20 0 DHADRM CCCCc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001595793475 982595685 /nfs/dbraw/zinc/59/56/85/982595685.db2.gz IMFYZSLRQKOTAG-UHFFFAOYSA-N -1 0 319.445 3.991 20 0 DHADRM CCCCc1ccc(NC(=S)NCCCCC(=O)[O-])cc1 ZINC001595796174 982600463 /nfs/dbraw/zinc/60/04/63/982600463.db2.gz IRNGGWQQPNSGML-UHFFFAOYSA-N -1 0 308.447 3.571 20 0 DHADRM CCCCc1ccc(N(C)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001595796578 982602895 /nfs/dbraw/zinc/60/28/95/982602895.db2.gz PAAHAKRRDSVYCM-UHFFFAOYSA-N -1 0 315.369 3.905 20 0 DHADRM O=C([O-])c1csc(CNCc2cccc(C3CCCC3)c2)n1 ZINC000656565364 1014862737 /nfs/dbraw/zinc/86/27/37/1014862737.db2.gz MDBAOARWVLFYMS-UHFFFAOYSA-N -1 0 316.426 3.789 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)/C=C\c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001594938689 982608591 /nfs/dbraw/zinc/60/85/91/982608591.db2.gz OKHZWHLLDDOIFF-HTJSDIMNSA-N -1 0 317.429 3.631 20 0 DHADRM CCCCc1nc(COc2ccc(CC(=O)[O-])cc2)cs1 ZINC001595799157 982612412 /nfs/dbraw/zinc/61/24/12/982612412.db2.gz NPBYUBDXXXOUJY-UHFFFAOYSA-N -1 0 305.399 3.692 20 0 DHADRM CC(C)Oc1c(NC(=O)/C=C2/CC[C@H](C)C2)cccc1C(=O)[O-] ZINC000911738242 982620798 /nfs/dbraw/zinc/62/07/98/982620798.db2.gz QJLFNXUOBJPREF-IXJPEXDMSA-N -1 0 317.385 3.857 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001594944913 982629094 /nfs/dbraw/zinc/62/90/94/982629094.db2.gz KWQMVLZPEOGXMA-GXSJLCMTSA-N -1 0 323.776 3.705 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001594946369 982641126 /nfs/dbraw/zinc/64/11/26/982641126.db2.gz OGVOBHUPJCSVIZ-GHMZBOCLSA-N -1 0 311.447 3.665 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC000914729160 982654606 /nfs/dbraw/zinc/65/46/06/982654606.db2.gz JFCUPYUEAAUFKK-JSGCOSHPSA-N -1 0 305.349 3.701 20 0 DHADRM CC[C@@H](C)CCC(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001594951997 982662537 /nfs/dbraw/zinc/66/25/37/982662537.db2.gz CYPHDYZAUWGLGQ-GFCCVEGCSA-N -1 0 303.402 3.799 20 0 DHADRM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccs2)c(C)c1 ZINC000656565529 1014866338 /nfs/dbraw/zinc/86/63/38/1014866338.db2.gz OVTYBFJPGGHUJA-INIZCTEOSA-N -1 0 319.426 3.761 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001594959088 982703704 /nfs/dbraw/zinc/70/37/04/982703704.db2.gz KQKYNLUMHIDOHP-ZDUSSCGKSA-N -1 0 307.390 3.695 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1sccc1C1CC1 ZINC000923091513 982717464 /nfs/dbraw/zinc/71/74/64/982717464.db2.gz KJATZSNBSNVOJS-UHFFFAOYSA-N -1 0 307.396 3.946 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000923091244 982717548 /nfs/dbraw/zinc/71/75/48/982717548.db2.gz OQAPTZZRAZLGNX-VIFPVBQESA-N -1 0 321.373 3.711 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccccc1OC1CC1 ZINC000923094417 982718713 /nfs/dbraw/zinc/71/87/13/982718713.db2.gz IATYRRNENSGBAF-UHFFFAOYSA-N -1 0 317.366 3.548 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1c(C)cc(C)cc1C ZINC000923095738 982720452 /nfs/dbraw/zinc/72/04/52/982720452.db2.gz ZIGWXOVSXLACMZ-UHFFFAOYSA-N -1 0 303.383 3.932 20 0 DHADRM CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923095622 982720457 /nfs/dbraw/zinc/72/04/57/982720457.db2.gz WTBYAHXRQCAZFE-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001594972289 982742876 /nfs/dbraw/zinc/74/28/76/982742876.db2.gz TWSJWLVUUAPPRX-FWLQQBITSA-N -1 0 317.429 3.709 20 0 DHADRM CCCN(CC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595865198 982822600 /nfs/dbraw/zinc/82/26/00/982822600.db2.gz VMCAZRZSDWGGMV-UHFFFAOYSA-N -1 0 300.358 3.802 20 0 DHADRM O=C([O-])CCC1(NC(=O)c2ccc(C(F)F)o2)CCCCC1 ZINC000923213179 982843473 /nfs/dbraw/zinc/84/34/73/982843473.db2.gz TYFDAAKVLCMUIW-UHFFFAOYSA-N -1 0 315.316 3.515 20 0 DHADRM CCCN(CCC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595872611 982858381 /nfs/dbraw/zinc/85/83/81/982858381.db2.gz ASZSYEMURKMWEC-UHFFFAOYSA-N -1 0 316.760 3.831 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001595008624 982929584 /nfs/dbraw/zinc/92/95/84/982929584.db2.gz PMZBHVOIGUOPPP-NSHDSACASA-N -1 0 317.341 3.716 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001119555135 982987047 /nfs/dbraw/zinc/98/70/47/982987047.db2.gz JMVANLPNCCXRGT-NEPJUHHUSA-N -1 0 309.793 3.786 20 0 DHADRM C[C@H](CN(C(=O)CCCCCc1cccs1)C1CC1)C(=O)[O-] ZINC000262175747 1014905329 /nfs/dbraw/zinc/90/53/29/1014905329.db2.gz LVUNUYVDJINNJD-CYBMUJFWSA-N -1 0 323.458 3.563 20 0 DHADRM O=C(CCC1CCCC1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614688951 1014905620 /nfs/dbraw/zinc/90/56/20/1014905620.db2.gz LYUBRZGVRHARRZ-UHFFFAOYSA-N -1 0 301.415 3.536 20 0 DHADRM CCCNc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595937033 983082395 /nfs/dbraw/zinc/08/23/95/983082395.db2.gz UOIBDLHHNXANIK-UHFFFAOYSA-N -1 0 316.332 3.598 20 0 DHADRM CCC[C@@H](NC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595992526 983245399 /nfs/dbraw/zinc/24/53/99/983245399.db2.gz AFEYEILLFYOINA-YYHKSVKZSA-N -1 0 323.477 3.989 20 0 DHADRM CCCc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596036062 983311843 /nfs/dbraw/zinc/31/18/43/983311843.db2.gz DBKFVSYEMGJBOT-COPLHBTASA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1cc(=O)[nH]c(S[C@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001596058635 983365846 /nfs/dbraw/zinc/36/58/46/983365846.db2.gz NURBRDUICALOMV-SECBINFHSA-N -1 0 322.386 3.588 20 0 DHADRM CCCc1ccc(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])s1 ZINC001596060866 983371190 /nfs/dbraw/zinc/37/11/90/983371190.db2.gz YCNHDNXIKASSFC-QGZVFWFLSA-N -1 0 323.458 3.806 20 0 DHADRM CCCc1ccc(CCCC(=O)N(CC(=O)[O-])[C@H](C)CC)cc1 ZINC001596062261 983371783 /nfs/dbraw/zinc/37/17/83/983371783.db2.gz CZLKBVYIKOMBRZ-OAHLLOKOSA-N -1 0 319.445 3.674 20 0 DHADRM CCCc1ccc(CNc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001596065381 983380330 /nfs/dbraw/zinc/38/03/30/983380330.db2.gz XROJGVPPFCGSPS-UHFFFAOYSA-N -1 0 304.777 3.998 20 0 DHADRM CCCc1ccccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001596070652 983386778 /nfs/dbraw/zinc/38/67/78/983386778.db2.gz RQEYESMGOPGTHG-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM CCCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001596070765 983388104 /nfs/dbraw/zinc/38/81/04/983388104.db2.gz YLFNRORNPLFIBP-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM Cn1ncc(C2CCC2)c1/C=C/c1nc2ccc(C(=O)[O-])cc2o1 ZINC000656613599 1014945923 /nfs/dbraw/zinc/94/59/23/1014945923.db2.gz MOCDOQYMSQPPRX-BQYQJAHWSA-N -1 0 323.352 3.697 20 0 DHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262179804 1014949389 /nfs/dbraw/zinc/94/93/89/1014949389.db2.gz WPGREHSQVMDJCU-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM CCN(C(=O)C1CCC(c2ccccc2)CC1)C(C)(C)C(=O)[O-] ZINC001596137091 983485485 /nfs/dbraw/zinc/48/54/85/983485485.db2.gz IFGUYPGUHVWWOZ-UHFFFAOYSA-N -1 0 317.429 3.672 20 0 DHADRM CCN(C(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596156141 983515006 /nfs/dbraw/zinc/51/50/06/983515006.db2.gz QQNUYLKWOMZLBB-AWEZNQCLSA-N -1 0 319.445 3.700 20 0 DHADRM CCN(C(=O)c1c(F)ccc(C)c1F)c1ccccc1C(=O)[O-] ZINC001596160746 983524188 /nfs/dbraw/zinc/52/41/88/983524188.db2.gz HRZQNXNRKOVABP-UHFFFAOYSA-N -1 0 319.307 3.638 20 0 DHADRM CCN(C(=O)c1cc2cccc(C)c2s1)C(C)(C)C(=O)[O-] ZINC001596165610 983530340 /nfs/dbraw/zinc/53/03/40/983530340.db2.gz VWZXCMQECNYQKC-UHFFFAOYSA-N -1 0 305.399 3.535 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001596321048 983753466 /nfs/dbraw/zinc/75/34/66/983753466.db2.gz BHTLEKFLVZNLEO-UHFFFAOYSA-N -1 0 324.324 3.561 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](C)C(F)(F)F ZINC001596354512 983819792 /nfs/dbraw/zinc/81/97/92/983819792.db2.gz UUCUURZLTZGQDL-QMMMGPOBSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1cccc(Cl)c1)c1nc(C(=O)[O-])c(C)s1 ZINC001596368216 983862247 /nfs/dbraw/zinc/86/22/47/983862247.db2.gz OPFAHLTUPSHKCD-UHFFFAOYSA-N -1 0 310.806 3.830 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccsc1C(=O)[O-] ZINC001596371922 983874741 /nfs/dbraw/zinc/87/47/41/983874741.db2.gz USESEUZXRFJUTR-UHFFFAOYSA-N -1 0 318.398 3.809 20 0 DHADRM CCNc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001596503845 984256750 /nfs/dbraw/zinc/25/67/50/984256750.db2.gz BFYKDRJBBNCGAP-UHFFFAOYSA-N -1 0 322.748 3.624 20 0 DHADRM C=COc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC001588913952 984556864 /nfs/dbraw/zinc/55/68/64/984556864.db2.gz MKLKJZUNXJFGLL-CYBMUJFWSA-N -1 0 313.353 3.673 20 0 DHADRM C=Cc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001588921960 984580866 /nfs/dbraw/zinc/58/08/66/984580866.db2.gz QVZZSOPXQBNZLH-INIZCTEOSA-N -1 0 324.380 3.628 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001588938773 984624735 /nfs/dbraw/zinc/62/47/35/984624735.db2.gz LEVSTIZHSLNEIS-KOTGUFOOSA-N -1 0 323.820 3.749 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001588938774 984624765 /nfs/dbraw/zinc/62/47/65/984624765.db2.gz LEVSTIZHSLNEIS-MSKHEQNASA-N -1 0 323.820 3.749 20 0 DHADRM C/C(=C\C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccco1 ZINC001588943849 984642064 /nfs/dbraw/zinc/64/20/64/984642064.db2.gz GBOBNCSUSFURQI-XXQUSICCSA-N -1 0 311.337 3.510 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944031 984644457 /nfs/dbraw/zinc/64/44/57/984644457.db2.gz MNTMAMRAXDTMKX-VQHVLOKHSA-N -1 0 305.330 3.627 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1CCCCCCC1 ZINC001599886723 984644807 /nfs/dbraw/zinc/64/48/07/984644807.db2.gz YRTHILRDUNGBIX-OAHLLOKOSA-N -1 0 317.429 3.849 20 0 DHADRM C/C(=C/C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccco1 ZINC001588944127 984645103 /nfs/dbraw/zinc/64/51/03/984645103.db2.gz QAPKMCVLLQVNLG-YFHOEESVSA-N -1 0 310.309 3.501 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)CCCc1csc2ccccc12 ZINC001599889221 984674434 /nfs/dbraw/zinc/67/44/34/984674434.db2.gz DFQCYVQBNHLOJT-LLVKDONJSA-N -1 0 306.383 3.630 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001599889581 984678296 /nfs/dbraw/zinc/67/82/96/984678296.db2.gz SDUZMUNNTQDISM-HFKOZYHYSA-N -1 0 317.168 3.503 20 0 DHADRM C/C(=C\C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588953217 984692889 /nfs/dbraw/zinc/69/28/89/984692889.db2.gz LPQLRIPJERSNDU-ZRDIBKRKSA-N -1 0 314.312 3.671 20 0 DHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001588953654 984697605 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CC(C)(CC(=O)Nc1cc(C(=O)[O-])cs1)CC(F)(F)F ZINC000909516184 1015064188 /nfs/dbraw/zinc/06/41/88/1015064188.db2.gz RDJLLMKKOWGFIF-UHFFFAOYSA-N -1 0 309.309 3.754 20 0 DHADRM C[C@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(F)(F)F ZINC001599901333 984835408 /nfs/dbraw/zinc/83/54/08/984835408.db2.gz JYBSOVBXCONOJS-VIFPVBQESA-N -1 0 313.275 3.685 20 0 DHADRM C[C@H](OC(=O)CC1CCSCC1)c1ccc(C(=O)[O-])cc1 ZINC001599903703 984892538 /nfs/dbraw/zinc/89/25/38/984892538.db2.gz CDLKLFSHXNJBAI-NSHDSACASA-N -1 0 308.399 3.522 20 0 DHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)s1 ZINC001599904170 984901494 /nfs/dbraw/zinc/90/14/94/984901494.db2.gz JNOGWFJMLFGRFR-LURJTMIESA-N -1 0 300.719 3.611 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC000909518096 1015078280 /nfs/dbraw/zinc/07/82/80/1015078280.db2.gz XMTHDBBDBIAGHH-CYBMUJFWSA-N -1 0 319.401 3.535 20 0 DHADRM C/C(=C/COC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588989405 984908616 /nfs/dbraw/zinc/90/86/16/984908616.db2.gz QXLWQPMMGDKBBU-RNKPRXRFSA-N -1 0 316.275 3.540 20 0 DHADRM C/C(=C\CSc1nccn1-c1cccc(Cl)c1C)C(=O)[O-] ZINC001588990701 984911430 /nfs/dbraw/zinc/91/14/30/984911430.db2.gz FRRMLPOQGHULMK-UXBLZVDNSA-N -1 0 322.817 3.957 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001588995728 984927432 /nfs/dbraw/zinc/92/74/32/984927432.db2.gz QFXQPYHTIIMUGT-SQFISAMPSA-N -1 0 315.413 3.692 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001588999441 984937821 /nfs/dbraw/zinc/93/78/21/984937821.db2.gz VFZDARRSUKKAPO-LLBKUYECSA-N -1 0 314.337 3.994 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)c2cccc(C(=O)[O-])c2)C1(C)C ZINC001599907911 984947564 /nfs/dbraw/zinc/94/75/64/984947564.db2.gz HLMLFEFGMGMMDS-SGTLLEGYSA-N -1 0 303.402 3.577 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589003720 984955959 /nfs/dbraw/zinc/95/59/59/984955959.db2.gz JLLGVYIWOFEXQX-SDNWHVSQSA-N -1 0 324.380 3.952 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589003719 984956303 /nfs/dbraw/zinc/95/63/03/984956303.db2.gz JLLGVYIWOFEXQX-KAMYIIQDSA-N -1 0 324.380 3.952 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)s1 ZINC000656739027 1015109402 /nfs/dbraw/zinc/10/94/02/1015109402.db2.gz JPZMBWMSTFQZOB-UHFFFAOYSA-N -1 0 322.455 3.747 20 0 DHADRM C[C@]1(CN2C[C@H](C(=O)[O-])Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC001599938859 985429355 /nfs/dbraw/zinc/42/93/55/985429355.db2.gz YVHGLOLLTMKOHC-DBXWQHBBSA-N -1 0 321.420 3.944 20 0 DHADRM CCO[C@H]1C[C@H](Nc2nc(C(=O)[O-])c(C)s2)C1(CC)CC ZINC001596843491 985533783 /nfs/dbraw/zinc/53/37/83/985533783.db2.gz SDXPQXLDLFOSBG-QWRGUYRKSA-N -1 0 312.435 3.545 20 0 DHADRM CCO[C@H]1CCC[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001596852479 985584576 /nfs/dbraw/zinc/58/45/76/985584576.db2.gz CXBRZRNMDWCWNZ-LTIDMASMSA-N -1 0 303.402 3.634 20 0 DHADRM CC(=O)Nc1ccc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001589190672 985593306 /nfs/dbraw/zinc/59/33/06/985593306.db2.gz IJCFOVYNCUFESB-QPJJXVBHSA-N -1 0 322.773 3.624 20 0 DHADRM Cc1[nH]c(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599951606 985617289 /nfs/dbraw/zinc/61/72/89/985617289.db2.gz VTRLGNPLNGHODJ-GXFFZTMASA-N -1 0 320.433 3.617 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCCC2(CCCC2)CC1 ZINC001599954195 985659840 /nfs/dbraw/zinc/65/98/40/985659840.db2.gz CCMBQRYQPZZTTI-UHFFFAOYSA-N -1 0 318.417 3.516 20 0 DHADRM Cc1[nH]c(C(=O)Nc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599954373 985662052 /nfs/dbraw/zinc/66/20/52/985662052.db2.gz BNCMIWRQYCAKQC-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CC(=O)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC001589229566 985767328 /nfs/dbraw/zinc/76/73/28/985767328.db2.gz FHFIFFIAAOXOAJ-UHFFFAOYSA-N -1 0 321.332 3.663 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001589297225 986038384 /nfs/dbraw/zinc/03/83/84/986038384.db2.gz CVJCYCKIKJGLDE-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])s2)c(Cl)c1 ZINC001589297284 986038885 /nfs/dbraw/zinc/03/88/85/986038885.db2.gz JAIKBEDZDGRZBD-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C(C)(C)C)ccc2n1C1CC1 ZINC001599984990 986217316 /nfs/dbraw/zinc/21/73/16/986217316.db2.gz FYJAYDOOSQOFTM-UHFFFAOYSA-N -1 0 315.369 3.934 20 0 DHADRM C[C@H](C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C)c1ccc(Cl)cc1 ZINC001589341854 986258270 /nfs/dbraw/zinc/25/82/70/986258270.db2.gz CAKNIGBSEGRQLQ-UTUOFQBUSA-N -1 0 323.820 3.544 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)C(C)(C)C ZINC001589346059 986283570 /nfs/dbraw/zinc/28/35/70/986283570.db2.gz KRVBNALCYRGELJ-XFIYOXNOSA-N -1 0 323.477 3.797 20 0 DHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)[C@H](C)C(C)(C)C ZINC001589346058 986283825 /nfs/dbraw/zinc/28/38/25/986283825.db2.gz KRVBNALCYRGELJ-UVPYHEFZSA-N -1 0 323.477 3.797 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCC[Si](C)(C)C ZINC001597016307 986378728 /nfs/dbraw/zinc/37/87/28/986378728.db2.gz WBLJLVZOPNENLL-UHFFFAOYSA-N -1 0 323.465 3.840 20 0 DHADRM C[C@H]1Cc2cc(CNc3ccc4c(C(=O)[O-])c[nH]c4c3)ccc2O1 ZINC001594614850 986628999 /nfs/dbraw/zinc/62/89/99/986628999.db2.gz HXLXFZRLAFMTSQ-NSHDSACASA-N -1 0 322.364 3.802 20 0 DHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC001589422233 986662722 /nfs/dbraw/zinc/66/27/22/986662722.db2.gz FMVSDNDPTOPZLF-FMKPAKJESA-N -1 0 319.445 3.507 20 0 DHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001589428893 986704782 /nfs/dbraw/zinc/70/47/82/986704782.db2.gz KYPOOUIKWGFQJW-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccco1 ZINC001589429312 986709010 /nfs/dbraw/zinc/70/90/10/986709010.db2.gz NMFBIVMSDVAHHV-LLVKDONJSA-N -1 0 309.321 3.873 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)(C)C ZINC001589430286 986716108 /nfs/dbraw/zinc/71/61/08/986716108.db2.gz SQXUHRZTRDDWAD-ZETCQYMHSA-N -1 0 301.745 3.798 20 0 DHADRM C[C@H]([C@H](C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C(C)(C)C ZINC001589435504 986746173 /nfs/dbraw/zinc/74/61/73/986746173.db2.gz KISQIVCAONLJRY-WDEREUQCSA-N -1 0 309.381 3.710 20 0 DHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001589436256 986750588 /nfs/dbraw/zinc/75/05/88/986750588.db2.gz RMAKKJHWJWMMFA-QMMMGPOBSA-N -1 0 313.756 3.942 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c(C(=O)[O-])c1F ZINC001597112840 986782360 /nfs/dbraw/zinc/78/23/60/986782360.db2.gz OKJFAEUTSLJVKT-WDEREUQCSA-N -1 0 323.364 3.687 20 0 DHADRM CCOc1ccc(NC(=O)C=C(CC)CC)c(C(=O)[O-])c1F ZINC001597113412 986785811 /nfs/dbraw/zinc/78/58/11/986785811.db2.gz STTLXQCNRCKZAM-UHFFFAOYSA-N -1 0 309.337 3.608 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589440586 986788231 /nfs/dbraw/zinc/78/82/31/986788231.db2.gz ZKGOIDLXYYBNBM-GFCCVEGCSA-N -1 0 322.364 3.619 20 0 DHADRM C[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)[C@H](C)C(C)(C)C ZINC001589444526 986799771 /nfs/dbraw/zinc/79/97/71/986799771.db2.gz MRLNJRMAAWBTCB-IUCAKERBSA-N -1 0 324.446 3.976 20 0 DHADRM C[C@H]([C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)C(C)(C)C ZINC001589444523 986800475 /nfs/dbraw/zinc/80/04/75/986800475.db2.gz MRLNJRMAAWBTCB-DTWKUNHWSA-N -1 0 324.446 3.976 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC001597123147 986823804 /nfs/dbraw/zinc/82/38/04/986823804.db2.gz LQOMGLQIKYQWJW-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C(C)(F)F ZINC001589448637 986829314 /nfs/dbraw/zinc/82/93/14/986829314.db2.gz QUWUQACEJWZZRO-SSDOTTSWSA-N -1 0 319.373 3.974 20 0 DHADRM CCOc1ccc(SCC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001597140522 986887150 /nfs/dbraw/zinc/88/71/50/986887150.db2.gz ZGVGSLABPAIDAZ-UHFFFAOYSA-N -1 0 316.378 3.759 20 0 DHADRM C[C@H]1Sc2ccccc2N(Cc2nc(C(=O)[O-])cs2)[C@@H]1C ZINC001594665570 986959704 /nfs/dbraw/zinc/95/97/04/986959704.db2.gz INNCFGANNGWOFX-NXEZZACHSA-N -1 0 320.439 3.731 20 0 DHADRM CCOc1cccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001597161987 986970187 /nfs/dbraw/zinc/97/01/87/986970187.db2.gz RMFBBAYYJJTUPC-UHFFFAOYSA-N -1 0 320.728 3.656 20 0 DHADRM C/C=C(/C=C/C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)CC ZINC001594676994 987010813 /nfs/dbraw/zinc/01/08/13/987010813.db2.gz HIUVTVOYVXNXRO-CCCCXFIZSA-N -1 0 307.434 3.686 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594686596 987068036 /nfs/dbraw/zinc/06/80/36/987068036.db2.gz ZDDRVBONIOEQRA-QAVQXKDTSA-N -1 0 320.364 3.734 20 0 DHADRM CC/C(=C\C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691180 987088293 /nfs/dbraw/zinc/08/82/93/987088293.db2.gz QDMJOPVZWNUGLA-VAWYXSNFSA-N -1 0 323.820 3.751 20 0 DHADRM CC/C(=C\C(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001594692405 987102982 /nfs/dbraw/zinc/10/29/82/987102982.db2.gz ZNEASISVUGARLV-VOGRQWBCSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC(F)(F)C2)cc1 ZINC001589504020 987111709 /nfs/dbraw/zinc/11/17/09/987111709.db2.gz JJKKLIIXXVYNKY-MNOVXSKESA-N -1 0 311.328 3.639 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 ZINC001589505278 987118855 /nfs/dbraw/zinc/11/88/55/987118855.db2.gz SNWJXELFORDZHU-VIFPVBQESA-N -1 0 323.801 3.771 20 0 DHADRM CCC(=O)c1cc(Cl)ccc1OCc1occc1C(=O)[O-] ZINC001594717296 987193810 /nfs/dbraw/zinc/19/38/10/987193810.db2.gz BIRJKGCRFNDMPR-UHFFFAOYSA-N -1 0 308.717 3.803 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(F)ccc2Cl)c1 ZINC001589531831 987207567 /nfs/dbraw/zinc/20/75/67/987207567.db2.gz LITYADJIQUITPL-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2coc3ccccc23)c1 ZINC001589531908 987208210 /nfs/dbraw/zinc/20/82/10/987208210.db2.gz KPBJYZZXFXFMEN-NSHDSACASA-N -1 0 309.321 3.873 20 0 DHADRM C[C@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589540685 987246886 /nfs/dbraw/zinc/24/68/86/987246886.db2.gz OVRSFIPVDCMXKJ-TVQRCGJNSA-N -1 0 314.328 3.501 20 0 DHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001589541045 987251171 /nfs/dbraw/zinc/25/11/71/987251171.db2.gz XIAZNFFYQLFZGR-JMCQJSRRSA-N -1 0 317.168 3.503 20 0 DHADRM C[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCC1 ZINC001589542862 987255450 /nfs/dbraw/zinc/25/54/50/987255450.db2.gz HRSNRKOCSVJGMN-BDJLRTHQSA-N -1 0 302.370 3.742 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001594734705 987262844 /nfs/dbraw/zinc/26/28/44/987262844.db2.gz ACEFTOODDZXKKD-OAHLLOKOSA-N -1 0 315.344 3.585 20 0 DHADRM CCSCc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597265408 987296590 /nfs/dbraw/zinc/29/65/90/987296590.db2.gz UEFROKDSEGQZKL-UHFFFAOYSA-N -1 0 321.423 3.952 20 0 DHADRM CCSc1cccc(CNc2ccc(C(=O)[O-])c(C)n2)c1 ZINC001597277458 987335847 /nfs/dbraw/zinc/33/58/47/987335847.db2.gz QQOYVFBMBLANAK-UHFFFAOYSA-N -1 0 302.399 3.812 20 0 DHADRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])cc1Cl)C1CCCCC1 ZINC001589582714 987365253 /nfs/dbraw/zinc/36/52/53/987365253.db2.gz LNAXTZRHKLJUIG-UHFFFAOYSA-N -1 0 324.808 3.978 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001597288851 987374577 /nfs/dbraw/zinc/37/45/77/987374577.db2.gz VTDFYKRPNSITAO-OAHLLOKOSA-N -1 0 319.307 3.544 20 0 DHADRM CCc1[nH]c(C(=O)N(CC(C)C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001597354754 987497863 /nfs/dbraw/zinc/49/78/63/987497863.db2.gz NAPVEFDRLIFPJT-UHFFFAOYSA-N -1 0 322.449 3.728 20 0 DHADRM CCc1[nH]c(C(=O)N2CCC[C@H]2CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001597361126 987517522 /nfs/dbraw/zinc/51/75/22/987517522.db2.gz MOXJZNRTWBPOOV-LBPRGKRZSA-N -1 0 320.433 3.625 20 0 DHADRM CCc1[nH]c(C(=O)NCC2CCC(C)(C)CC2)c(C)c1C(=O)[O-] ZINC001597368485 987548786 /nfs/dbraw/zinc/54/87/86/987548786.db2.gz UTZHYGAMJQGINK-UHFFFAOYSA-N -1 0 320.433 3.530 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC001597373192 987557080 /nfs/dbraw/zinc/55/70/80/987557080.db2.gz OJVKVXHXJDLEFK-UHFFFAOYSA-N -1 0 324.739 3.629 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)OC2CCCCC2)c1 ZINC001589650170 987597413 /nfs/dbraw/zinc/59/74/13/987597413.db2.gz GNDBTBPSONXTMN-UHFFFAOYSA-N -1 0 306.358 3.897 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C/c2cccs2)c1 ZINC001589650991 987600276 /nfs/dbraw/zinc/60/02/76/987600276.db2.gz RYETTWAVADCFHI-CMDGGOBGSA-N -1 0 316.378 3.729 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)/C(C)=C/c2ccco2)s1 ZINC001597440746 987800135 /nfs/dbraw/zinc/80/01/35/987800135.db2.gz JFHRQTCWGMPORI-VQHVLOKHSA-N -1 0 305.355 3.644 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccncc2)s1 ZINC001597441071 987802101 /nfs/dbraw/zinc/80/21/01/987802101.db2.gz PDIYGVHPDMOUFY-SNVBAGLBSA-N -1 0 318.398 3.536 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC)c(C)c2)s1 ZINC001597444826 987813914 /nfs/dbraw/zinc/81/39/14/987813914.db2.gz CBUYCYSYDVOQHE-UHFFFAOYSA-N -1 0 319.382 3.578 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@]1(C)CC1(C)C ZINC001597457103 987869539 /nfs/dbraw/zinc/86/95/39/987869539.db2.gz HEWOCYHBZIDIJT-KRWDZBQOSA-N -1 0 304.390 3.505 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)cc1 ZINC001597459820 987887643 /nfs/dbraw/zinc/88/76/43/987887643.db2.gz MZIUUHYQCBEZJT-UHFFFAOYSA-N -1 0 312.369 3.577 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCc2ccccc21 ZINC001597463788 987894088 /nfs/dbraw/zinc/89/40/88/987894088.db2.gz DVHIZGMKDYCTNK-QGZVFWFLSA-N -1 0 324.380 3.756 20 0 DHADRM CC(C)(C)[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001589722852 987894999 /nfs/dbraw/zinc/89/49/99/987894999.db2.gz OLWAEZZKXIRJTE-JTQLQIEISA-N -1 0 321.427 3.535 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(F)F)nc1 ZINC001597464638 987898564 /nfs/dbraw/zinc/89/85/64/987898564.db2.gz NTEIQEJIQSZHAV-UHFFFAOYSA-N -1 0 320.295 3.532 20 0 DHADRM CC(C)(C)C1CC(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001589726132 987904676 /nfs/dbraw/zinc/90/46/76/987904676.db2.gz GMYKUVYESDGWHY-UHFFFAOYSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)(C)[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001589727189 987922069 /nfs/dbraw/zinc/92/20/69/987922069.db2.gz XNGVUTKDYYWANE-SSDMNJCBSA-N -1 0 311.466 3.845 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001589728337 987930502 /nfs/dbraw/zinc/93/05/02/987930502.db2.gz IYSOOEOKKFRXAH-MNOVXSKESA-N -1 0 324.446 3.566 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001589729059 987939906 /nfs/dbraw/zinc/93/99/06/987939906.db2.gz ROSKDHILSXSJAO-FUUBYGMNSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001589729162 987940839 /nfs/dbraw/zinc/94/08/39/987940839.db2.gz USTMJZUZDGCMTN-HUUCEWRRSA-N -1 0 321.392 3.859 20 0 DHADRM COc1ccc(C)cc1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474424029 1015346998 /nfs/dbraw/zinc/34/69/98/1015346998.db2.gz BLVTWQHIUXTSDN-UHFFFAOYSA-N -1 0 323.751 3.683 20 0 DHADRM CS[C@@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788970 987974306 /nfs/dbraw/zinc/97/43/06/987974306.db2.gz LUJKWDMUFOWDHV-GOEBONIOSA-N -1 0 320.458 3.681 20 0 DHADRM CC(C)(C)[C@@H]1CN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001589735329 987985746 /nfs/dbraw/zinc/98/57/46/987985746.db2.gz RTZRPDJSRCTDKO-DYEKYZERSA-N -1 0 309.356 3.602 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001589742046 988016352 /nfs/dbraw/zinc/01/63/52/988016352.db2.gz KIYBORMPPWVIRN-UHFFFAOYSA-N -1 0 310.365 3.821 20 0 DHADRM CCc1ccc(-c2nc(S[C@H](C(=O)[O-])[C@H](C)CC)n[nH]2)cc1 ZINC001597492031 988023492 /nfs/dbraw/zinc/02/34/92/988023492.db2.gz OFGHTVFVMSVKHH-MFKMUULPSA-N -1 0 319.430 3.626 20 0 DHADRM CCc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1 ZINC001597492918 988034887 /nfs/dbraw/zinc/03/48/87/988034887.db2.gz YPHYNNNUUNPCCK-UHFFFAOYSA-N -1 0 324.336 3.576 20 0 DHADRM CSC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599792874 988041281 /nfs/dbraw/zinc/04/12/81/988041281.db2.gz RZONHVRTOBMTDV-ZCFIWIBFSA-N -1 0 322.213 3.629 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H](CC)CC(F)F)c1 ZINC001597502828 988068062 /nfs/dbraw/zinc/06/80/62/988068062.db2.gz GUDLZKJKEHOJGM-SNVBAGLBSA-N -1 0 300.301 3.534 20 0 DHADRM CC(C)(C)C[C@@H](Nc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC001589757085 988069945 /nfs/dbraw/zinc/06/99/45/988069945.db2.gz LGDICOWFXJHRSX-LLVKDONJSA-N -1 0 311.451 3.887 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)C2CCC(F)(F)CC2)c1 ZINC001597503362 988070990 /nfs/dbraw/zinc/07/09/90/988070990.db2.gz QOXDUGGGTPRBDC-UHFFFAOYSA-N -1 0 312.312 3.678 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474429670 1015358261 /nfs/dbraw/zinc/35/82/61/1015358261.db2.gz HAUUVRMYMTWIHE-JTQLQIEISA-N -1 0 317.788 3.965 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc(C(F)F)c1F)C(=O)[O-] ZINC001589761590 988088922 /nfs/dbraw/zinc/08/89/22/988088922.db2.gz CNHTUCXUYAPTST-SNVBAGLBSA-N -1 0 318.291 3.810 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001589764804 988109161 /nfs/dbraw/zinc/10/91/61/988109161.db2.gz XPPPPRIUQJMMRV-HNNXBMFYSA-N -1 0 318.417 3.746 20 0 DHADRM CSCC[C@@H](OC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001599797243 988117008 /nfs/dbraw/zinc/11/70/08/988117008.db2.gz AHWPYWHLSQRMKB-OAHLLOKOSA-N -1 0 320.410 3.617 20 0 DHADRM CC(C)(C)CCCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001589771863 988126673 /nfs/dbraw/zinc/12/66/73/988126673.db2.gz LXANOEQAGSSLCU-UHFFFAOYSA-N -1 0 312.454 3.537 20 0 DHADRM CC(C)(C)CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589779936 988145649 /nfs/dbraw/zinc/14/56/49/988145649.db2.gz BUEXBLVCPTWETL-LSDHHAIUSA-N -1 0 317.429 3.957 20 0 DHADRM CC(C)(C)CN(C(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589780046 988146879 /nfs/dbraw/zinc/14/68/79/988146879.db2.gz HBZNLBBFTOJGAX-UHFFFAOYSA-N -1 0 301.342 3.671 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001597530453 988184267 /nfs/dbraw/zinc/18/42/67/988184267.db2.gz AVOWDDGIYHINLS-LLVKDONJSA-N -1 0 315.344 3.829 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Oc2ccc(C(=O)[O-])cc2)s1 ZINC001589793391 988184974 /nfs/dbraw/zinc/18/49/74/988184974.db2.gz SSBZNYVWRLSEEP-UHFFFAOYSA-N -1 0 319.382 3.649 20 0 DHADRM CCc1ccc(NC(=O)[C@H](C)OC2CCCCC2)c(C(=O)[O-])c1 ZINC001597543274 988240070 /nfs/dbraw/zinc/24/00/70/988240070.db2.gz ZGDFRFRQLYVWPV-LBPRGKRZSA-N -1 0 319.401 3.624 20 0 DHADRM CCc1ccc(NC(=O)Cn2ccc3ccccc32)c(C(=O)[O-])c1 ZINC001597545066 988246346 /nfs/dbraw/zinc/24/63/46/988246346.db2.gz PEYCNJWNVZDFSX-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CCc1ccc(NC(=O)N2CCCC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001597547175 988257038 /nfs/dbraw/zinc/25/70/38/988257038.db2.gz FPXNYGFBDIBUBV-GFCCVEGCSA-N -1 0 304.390 3.601 20 0 DHADRM CCc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC001597547997 988262974 /nfs/dbraw/zinc/26/29/74/988262974.db2.gz QOWLDGKRNHQSSZ-INIZCTEOSA-N -1 0 324.808 3.621 20 0 DHADRM CCc1ccc(NC(=O)c2cccc(C(C)C)n2)c(C(=O)[O-])c1 ZINC001597550432 988266920 /nfs/dbraw/zinc/26/69/20/988266920.db2.gz AWUBOWRNNJPAQC-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM CCc1ccc(NC(=O)c2cc(SC)oc2C)c(C(=O)[O-])c1 ZINC001597550484 988267522 /nfs/dbraw/zinc/26/75/22/988267522.db2.gz FGVGJYQBNFQJEQ-UHFFFAOYSA-N -1 0 319.382 3.823 20 0 DHADRM CSc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599807410 988278013 /nfs/dbraw/zinc/27/80/13/988278013.db2.gz NUUFSKZSZXUUFT-RYUDHWBXSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)o1 ZINC001599810447 988324999 /nfs/dbraw/zinc/32/49/99/988324999.db2.gz XGBQATGAEZDCGI-UHFFFAOYSA-N -1 0 320.366 3.583 20 0 DHADRM CCc1ccc2occ(C(=O)Oc3ccc(CC(=O)[O-])cc3)c2c1 ZINC001597570651 988348180 /nfs/dbraw/zinc/34/81/80/988348180.db2.gz WKIDLOWUQBHZKJ-UHFFFAOYSA-N -1 0 324.332 3.842 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)c(F)cc1F ZINC001597572938 988355562 /nfs/dbraw/zinc/35/55/62/988355562.db2.gz PANZBVIGHHXDMG-UHFFFAOYSA-N -1 0 319.307 3.786 20 0 DHADRM CSc1ccc(CN(CC(=O)[O-])Cc2ccccc2)s1 ZINC001599813612 988381891 /nfs/dbraw/zinc/38/18/91/988381891.db2.gz ZLHHPQBNWZRSHQ-UHFFFAOYSA-N -1 0 307.440 3.557 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)ccc1F ZINC001597590621 988413949 /nfs/dbraw/zinc/41/39/49/988413949.db2.gz BGTBDXMCQYMXFQ-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1nc(Cl)sc1C ZINC001597594290 988432958 /nfs/dbraw/zinc/43/29/58/988432958.db2.gz RSNUSHQBKXSQDO-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CSc1ccc(NC(=O)NC[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC001599819451 988486154 /nfs/dbraw/zinc/48/61/54/988486154.db2.gz XKVFFHPZBWEBRQ-LLVKDONJSA-N -1 0 320.414 3.585 20 0 DHADRM CSc1cccc(N(C)Cc2ccccc2OCC(=O)[O-])c1 ZINC001599822847 988544174 /nfs/dbraw/zinc/54/41/74/988544174.db2.gz YVHWPVKADKKXGL-UHFFFAOYSA-N -1 0 317.410 3.508 20 0 DHADRM CSc1ccccc1CN(C)c1nc(C(=O)[O-])c(C)s1 ZINC001599824076 988566703 /nfs/dbraw/zinc/56/67/03/988566703.db2.gz PVBSBKRSZQIGGA-UHFFFAOYSA-N -1 0 308.428 3.508 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000013166869 1015400909 /nfs/dbraw/zinc/40/09/09/1015400909.db2.gz MXHMGZOFEHIMNH-UHFFFAOYSA-N -1 0 305.333 3.719 20 0 DHADRM CSc1ccsc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599825991 988598901 /nfs/dbraw/zinc/59/89/01/988598901.db2.gz GKQDNEHHHNXUTR-UHFFFAOYSA-N -1 0 313.425 3.790 20 0 DHADRM CCc1cncc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001597635218 988613503 /nfs/dbraw/zinc/61/35/03/988613503.db2.gz UNIPPQLDVWBAPJ-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM C[C@@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC001599830092 988659080 /nfs/dbraw/zinc/65/90/80/988659080.db2.gz DKTWXSRMFCOZAL-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM CCc1nc([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001597656529 988710852 /nfs/dbraw/zinc/71/08/52/988710852.db2.gz QIPYABLLSJEDAT-SECBINFHSA-N -1 0 324.833 3.908 20 0 DHADRM CC(C)CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000081957892 1015413295 /nfs/dbraw/zinc/41/32/95/1015413295.db2.gz FAIQVJWXVWCORY-UHFFFAOYSA-N -1 0 320.614 3.536 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599835128 988730107 /nfs/dbraw/zinc/73/01/07/988730107.db2.gz RWIFHEOJBJIPCA-AWEZNQCLSA-N -1 0 317.429 3.793 20 0 DHADRM CCc1nc(NC(=O)C[C@@H](C)CC(C)(C)C)sc1C(=O)[O-] ZINC001597678739 988800796 /nfs/dbraw/zinc/80/07/96/988800796.db2.gz WCHGBPPPJPUNID-SECBINFHSA-N -1 0 312.435 3.805 20 0 DHADRM CCc1nc(NC(=O)CC2CCCCCC2)sc1C(=O)[O-] ZINC001597678682 988800935 /nfs/dbraw/zinc/80/09/35/988800935.db2.gz UTAIMNIUKCIIKN-UHFFFAOYSA-N -1 0 310.419 3.703 20 0 DHADRM CCc1nc2sccc2c(Oc2cccc(C(=O)[O-])c2)n1 ZINC001597685886 988846048 /nfs/dbraw/zinc/84/60/48/988846048.db2.gz HTHHEQGWWXMJOK-UHFFFAOYSA-N -1 0 300.339 3.744 20 0 DHADRM CC[C@H]1CCCCN1C(=O)c1cnc2c(Cl)cccc2c1O ZINC000341506910 1015428349 /nfs/dbraw/zinc/42/83/49/1015428349.db2.gz HUBODZGCWGSTDP-NSHDSACASA-N -1 0 318.804 3.586 20 0 DHADRM CCc1nnc(S[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597736416 989087147 /nfs/dbraw/zinc/08/71/47/989087147.db2.gz VVBMUURMESJNOG-JTQLQIEISA-N -1 0 314.819 3.672 20 0 DHADRM C[C@@H]1CN(C(=O)c2cccc(C3CCCC3)c2)C[C@H]1CC(=O)[O-] ZINC001599863763 989210456 /nfs/dbraw/zinc/21/04/56/989210456.db2.gz SGLMYXHIENUZQZ-CXAGYDPISA-N -1 0 315.413 3.527 20 0 DHADRM CCc1oc2ccccc2c1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001597804515 989406479 /nfs/dbraw/zinc/40/64/79/989406479.db2.gz GFEKNXPQLSBEBO-UHFFFAOYSA-N -1 0 323.348 3.727 20 0 DHADRM CCc1onc(C)c1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001597815494 989441924 /nfs/dbraw/zinc/44/19/24/989441924.db2.gz FKSAVDKVTAGQPV-UHFFFAOYSA-N -1 0 323.736 3.541 20 0 DHADRM C[C@@H]1C[C@H](OC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001599879730 989467461 /nfs/dbraw/zinc/46/74/61/989467461.db2.gz DYICLGDYIWTKKE-DOMZBBRYSA-N -1 0 304.386 3.685 20 0 DHADRM CCc1occc1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001597824038 989477601 /nfs/dbraw/zinc/47/76/01/989477601.db2.gz LJUTXAWRYJDGAB-UHFFFAOYSA-N -1 0 313.353 3.740 20 0 DHADRM CCn1cc(CCSCc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001597885693 989726542 /nfs/dbraw/zinc/72/65/42/989726542.db2.gz JENQCXFRJRHZCZ-UHFFFAOYSA-N -1 0 324.833 3.731 20 0 DHADRM CC(C)(C)OCCCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001590382111 989897778 /nfs/dbraw/zinc/89/77/78/989897778.db2.gz LFKWJEHKLWQDHF-CQSZACIVSA-N -1 0 305.418 3.660 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)s1 ZINC001590464157 990041184 /nfs/dbraw/zinc/04/11/84/990041184.db2.gz WSOFWCQGYYHWMB-MYJAWHEDSA-N -1 0 307.415 3.728 20 0 DHADRM CC(C)(C)c1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001590481519 990073417 /nfs/dbraw/zinc/07/34/17/990073417.db2.gz GEWACZRSOMSVFE-UHFFFAOYSA-N -1 0 302.326 3.632 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001590484742 990079828 /nfs/dbraw/zinc/07/98/28/990079828.db2.gz FDRSHHNURZCHFO-UHFFFAOYSA-N -1 0 317.410 3.925 20 0 DHADRM CC(C)(C)c1ccc(CNc2ncc(C(=O)[O-])cc2Cl)o1 ZINC001590486623 990085618 /nfs/dbraw/zinc/08/56/18/990085618.db2.gz ACNFTUGLCDHWGN-UHFFFAOYSA-N -1 0 308.765 3.936 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001590499039 990110983 /nfs/dbraw/zinc/11/09/83/990110983.db2.gz OSLVICHXQWOVIE-KXBFYZLASA-N -1 0 317.429 3.747 20 0 DHADRM CC(C)(C)c1csc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001590537033 990150372 /nfs/dbraw/zinc/15/03/72/990150372.db2.gz NMMTVYWXXHFDFH-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(C)n1cc(CSCc2ccccc2CC(=O)[O-])cn1 ZINC001590593329 990244053 /nfs/dbraw/zinc/24/40/53/990244053.db2.gz CDBQKRFVMQVOKE-UHFFFAOYSA-N -1 0 318.442 3.699 20 0 DHADRM CC(C)(CC(=O)Nc1cccc(C(=O)[O-])c1Cl)C(F)(F)F ZINC001590621890 990304085 /nfs/dbraw/zinc/30/40/85/990304085.db2.gz RISOZPAAPDLNCU-UHFFFAOYSA-N -1 0 323.698 3.955 20 0 DHADRM CC(C)(CC(=O)[O-])C(=O)OCc1cccc(Cl)c1Cl ZINC001590625490 990308550 /nfs/dbraw/zinc/30/85/50/990308550.db2.gz MCBJHAUVYWXZNM-UHFFFAOYSA-N -1 0 305.157 3.538 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2cc[nH]c2c1 ZINC001598056788 990319487 /nfs/dbraw/zinc/31/94/87/990319487.db2.gz FAIQNVWYHCXDRK-UHFFFAOYSA-N -1 0 309.325 3.534 20 0 DHADRM CN(C(=O)c1cc(C2CC2)oc1C1CC1)C1(C(=O)[O-])CCCC1 ZINC001598077645 990384261 /nfs/dbraw/zinc/38/42/61/990384261.db2.gz PNWQSNDYMZQKLK-UHFFFAOYSA-N -1 0 317.385 3.504 20 0 DHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001590734531 990530717 /nfs/dbraw/zinc/53/07/17/990530717.db2.gz ZZYDQCUVXSKJRI-UHFFFAOYSA-N -1 0 318.398 3.546 20 0 DHADRM CC(C)=C(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001590912677 990888958 /nfs/dbraw/zinc/88/89/58/990888958.db2.gz NUTKKOBELLTFFF-GOSISDBHSA-N -1 0 311.381 3.828 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2sc(C)cc2C(=O)[O-])C1(C)C ZINC001590915035 990901256 /nfs/dbraw/zinc/90/12/56/990901256.db2.gz NTVYSGXQTONBPM-VXGBXAGGSA-N -1 0 307.415 3.932 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001590915614 990904955 /nfs/dbraw/zinc/90/49/55/990904955.db2.gz YNBZQJCNKDVXGH-CQSZACIVSA-N -1 0 318.417 3.580 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001590921985 990916107 /nfs/dbraw/zinc/91/61/07/990916107.db2.gz PNVTYHLPFKKLPH-AWEZNQCLSA-N -1 0 318.417 3.960 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001590921954 990916146 /nfs/dbraw/zinc/91/61/46/990916146.db2.gz OMMOEWYIXRFPPJ-CYBMUJFWSA-N -1 0 304.390 3.950 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001590921979 990916276 /nfs/dbraw/zinc/91/62/76/990916276.db2.gz PNNLFCCYSAVSEU-CYBMUJFWSA-N -1 0 321.392 3.913 20 0 DHADRM COc1ccccc1[C@H](C)SCc1cncc(C(=O)[O-])c1 ZINC001599697814 991174547 /nfs/dbraw/zinc/17/45/47/991174547.db2.gz IRKIEXFYAPJQPX-NSHDSACASA-N -1 0 303.383 3.783 20 0 DHADRM CC(C)[C@@H](F)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001590995807 991222257 /nfs/dbraw/zinc/22/22/57/991222257.db2.gz FBSZRZGTUHTRLG-GHMZBOCLSA-N -1 0 323.147 3.656 20 0 DHADRM CC(C)[C@H](F)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001590995810 991222498 /nfs/dbraw/zinc/22/24/98/991222498.db2.gz FBSZRZGTUHTRLG-WDEREUQCSA-N -1 0 323.147 3.656 20 0 DHADRM CN(C)c1cc(F)cc(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598307521 991274048 /nfs/dbraw/zinc/27/40/48/991274048.db2.gz XBXURCHDQJYJPB-UHFFFAOYSA-N -1 0 322.767 3.855 20 0 DHADRM CN(C)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001598326069 991345571 /nfs/dbraw/zinc/34/55/71/991345571.db2.gz WKSCACQCFFCEGM-UHFFFAOYSA-N -1 0 304.777 3.716 20 0 DHADRM COc1ccccc1CSCc1cc(C(=O)[O-])ccc1OC ZINC001599711611 991380374 /nfs/dbraw/zinc/38/03/74/991380374.db2.gz DKIBWXUMBGLPEM-UHFFFAOYSA-N 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316.323 3.814 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001591227155 992098386 /nfs/dbraw/zinc/09/83/86/992098386.db2.gz DHOZGBBPCHYCQC-DOTOQJQBSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001591227158 992098587 /nfs/dbraw/zinc/09/85/87/992098587.db2.gz DHOZGBBPCHYCQC-WBVHZDCISA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001591228315 992103973 /nfs/dbraw/zinc/10/39/73/992103973.db2.gz CCSWWXJOCSHXHL-HRCADAONSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001591229882 992115433 /nfs/dbraw/zinc/11/54/33/992115433.db2.gz ZHJPGXLFANZFBF-HNNXBMFYSA-N -1 0 309.381 3.674 20 0 DHADRM CC(C)CCOC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591252412 992152907 /nfs/dbraw/zinc/15/29/07/992152907.db2.gz YZJCZBRZVUCFIE-CQSZACIVSA-N -1 0 307.390 3.611 20 0 DHADRM CC(C)CCn1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)n1 ZINC001591277208 992201875 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C[C@@H](OC(=O)CCc1cccc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593528325 995576413 /nfs/dbraw/zinc/57/64/13/995576413.db2.gz VCPULJUHURLXIE-SNVBAGLBSA-N -1 0 322.744 3.868 20 0 DHADRM C[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593566483 995663777 /nfs/dbraw/zinc/66/37/77/995663777.db2.gz ZYKLRZCMDWQVRQ-QMMMGPOBSA-N -1 0 317.272 3.516 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC001593578864 995690248 /nfs/dbraw/zinc/69/02/48/995690248.db2.gz MGQUYYVNTHJKQT-SSDOTTSWSA-N -1 0 312.293 3.643 20 0 DHADRM C[C@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593597097 995736937 /nfs/dbraw/zinc/73/69/37/995736937.db2.gz GZZNXXSYELHAME-LBPRGKRZSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@H](Oc1ccc(CNc2cccc3ccn(C)c32)cc1)C(=O)[O-] ZINC001593619874 995865422 /nfs/dbraw/zinc/86/54/22/995865422.db2.gz RKGYKHACFTVCDP-ZDUSSCGKSA-N -1 0 324.380 3.642 20 0 DHADRM C[C@@H](SCCc1ccc(F)c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593661519 996037831 /nfs/dbraw/zinc/03/78/31/996037831.db2.gz 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COc1cc(NC(=O)c2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001599441773 997941000 /nfs/dbraw/zinc/94/10/00/997941000.db2.gz FRSNJZFSXWXLSD-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)O[C@H](C)CC(C)C ZINC001599547738 997952486 /nfs/dbraw/zinc/95/24/86/997952486.db2.gz XCTFSSICYDSRRA-WAFBPQNNSA-N -1 0 322.357 3.743 20 0 DHADRM COc1cc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)ccc1OC(C)C ZINC001599442918 997959935 /nfs/dbraw/zinc/95/99/35/997959935.db2.gz LODSCOXCMKHEAY-UMVBOHGHSA-N -1 0 321.417 3.784 20 0 DHADRM COc1cc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc(OC)c1C ZINC001599443705 997973181 /nfs/dbraw/zinc/97/31/81/997973181.db2.gz XZIXBIBFEKIKTQ-LLVKDONJSA-N -1 0 309.406 3.704 20 0 DHADRM C[C@@]1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCc2ccccc21 ZINC001594080969 997981218 /nfs/dbraw/zinc/98/12/18/997981218.db2.gz HPIPRUYWERDEBK-LJQANCHMSA-N -1 0 320.348 3.687 20 0 DHADRM COc1ccc(C[C@H](C)CNc2cccc(C(=O)[O-])c2)cc1F ZINC001599550683 998000980 /nfs/dbraw/zinc/00/09/80/998000980.db2.gz 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Cc1ccccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000068726509 1022735126 /nfs/dbraw/zinc/73/51/26/1022735126.db2.gz BOAZSUBHPDPDGN-PLSXKVAHSA-N -1 0 310.349 3.743 20 0 DHADRM CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000621355038 1022735228 /nfs/dbraw/zinc/73/52/28/1022735228.db2.gz TVQVSUSYDVSCPP-SJORKVTESA-N -1 0 311.381 3.512 20 0 DHADRM CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000621355035 1022735641 /nfs/dbraw/zinc/73/56/41/1022735641.db2.gz TVQVSUSYDVSCPP-DLBZAZTESA-N -1 0 311.381 3.512 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)[C@@H]2CCCC[C@@H]21 ZINC000180547216 1022762307 /nfs/dbraw/zinc/76/23/07/1022762307.db2.gz DIZGQGOVZFWQOX-MPKXVKKWSA-N -1 0 316.426 3.767 20 0 DHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000071943052 1022770399 /nfs/dbraw/zinc/77/03/99/1022770399.db2.gz BXCNDLHASUOLEF-UHFFFAOYSA-N -1 0 310.806 3.659 20 0 DHADRM CCCC[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(C)C ZINC000621536136 1022781256 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/nfs/dbraw/zinc/54/26/51/1034542651.db2.gz ZAIZZYPXSHTWKY-UHFFFAOYSA-N -1 0 306.387 3.891 20 0 DHADRM COc1cc2cccnc2c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174677245 1034542688 /nfs/dbraw/zinc/54/26/88/1034542688.db2.gz HBEGDCRZSRVRTK-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COC[C@H](C)n1c2ccccc2nc1-c1cc(C(=O)[O-])c(C)o1 ZINC000899259800 1034543290 /nfs/dbraw/zinc/54/32/90/1034543290.db2.gz SKMTWLPSWFKVQA-JTQLQIEISA-N -1 0 314.341 3.510 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2nc(C)ccc21 ZINC001174676965 1034543343 /nfs/dbraw/zinc/54/33/43/1034543343.db2.gz PXXNZDCIWOLRIM-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM CCN(CC)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174676797 1034543510 /nfs/dbraw/zinc/54/35/10/1034543510.db2.gz IDDMIQKQLAKWIF-UHFFFAOYSA-N -1 0 314.385 3.983 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(Br)c1 ZINC001174677911 1034544487 /nfs/dbraw/zinc/54/44/87/1034544487.db2.gz UURTZIFYVZESCF-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1cc(Nc2ccc(Br)cc2)ccc1C(=O)[O-] ZINC001174683540 1034547057 /nfs/dbraw/zinc/54/70/57/1034547057.db2.gz OYLZKYXUKNXGGU-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1cc(Nc2ccc(-c3cnn(C)c3)cc2)ccc1C(=O)[O-] ZINC001174683055 1034547616 /nfs/dbraw/zinc/54/76/16/1034547616.db2.gz LREZDDHQDGJOBN-UHFFFAOYSA-N -1 0 323.352 3.538 20 0 DHADRM COc1cc(Nc2ccc(-n3ccnc3C)cc2)ccc1C(=O)[O-] ZINC001174685032 1034547656 /nfs/dbraw/zinc/54/76/56/1034547656.db2.gz MCJNRCVCMWBHMB-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1cc(Nc2ncnc(Cl)c2C(C)C)ccc1C(=O)[O-] ZINC001174684206 1034547922 /nfs/dbraw/zinc/54/79/22/1034547922.db2.gz ZYLGLVAJOSMJJI-UHFFFAOYSA-N -1 0 321.764 3.704 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC001174685769 1034550028 /nfs/dbraw/zinc/55/00/28/1034550028.db2.gz ZHKHWEXBNOWEED-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2ccc3scnc3c2)ccc1C(=O)[O-] ZINC001174685197 1034550371 /nfs/dbraw/zinc/55/03/71/1034550371.db2.gz KSADRUTXOODGGX-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1cc(-n2ccc3c2cc(Cl)cc3N)ccc1C(=O)[O-] ZINC001174686855 1034550513 /nfs/dbraw/zinc/55/05/13/1034550513.db2.gz KPLREZMKJKWXCY-UHFFFAOYSA-N -1 0 316.744 3.573 20 0 DHADRM COc1cc(Nc2ccc(-n3cnc(C)c3)cc2)ccc1C(=O)[O-] ZINC001174685402 1034550596 /nfs/dbraw/zinc/55/05/96/1034550596.db2.gz UXFWSTYSYDEYCO-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM CCc1nc(=NC2CC(F)(c3cccc(Cl)c3)C2)s[n-]1 ZINC000481092051 1034582702 /nfs/dbraw/zinc/58/27/02/1034582702.db2.gz MNQAKYOBMHPBJB-UHFFFAOYSA-N -1 0 311.813 3.615 20 0 DHADRM COc1ccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c(C)c1 ZINC000899356900 1034603546 /nfs/dbraw/zinc/60/35/46/1034603546.db2.gz WNDAGASKIKWLOS-VURMDHGXSA-N -1 0 312.369 3.786 20 0 DHADRM CC(C)c1ccc([C@@H](C)n2[n-]c3c(c2=O)Cc2ccncc2-3)cc1 ZINC000899360396 1034606448 /nfs/dbraw/zinc/60/64/48/1034606448.db2.gz MBDCXPWQMSNTFC-CXAGYDPISA-N -1 0 319.408 3.685 20 0 DHADRM Cc1cc(C)c(Nc2ccc3cc[nH]c3c2)c(S(=O)(=O)[O-])c1 ZINC001174749891 1034608041 /nfs/dbraw/zinc/60/80/41/1034608041.db2.gz DIRURCRHFADYJC-UHFFFAOYSA-N -1 0 316.382 3.775 20 0 DHADRM Cc1c(Br)cncc1Nc1ccc(C(=O)[O-])s1 ZINC001174804780 1034630998 /nfs/dbraw/zinc/63/09/98/1034630998.db2.gz CYNJMKHFLRJQDG-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1nc(C(F)(F)F)ccc1Nc1ccc(C(=O)[O-])s1 ZINC001174805214 1034631174 /nfs/dbraw/zinc/63/11/74/1034631174.db2.gz OFXAKSYODHFHNF-UHFFFAOYSA-N -1 0 302.277 3.912 20 0 DHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(C(=O)[O-])s1 ZINC001174806013 1034631773 /nfs/dbraw/zinc/63/17/73/1034631773.db2.gz NWQCBGLARCGBHV-UHFFFAOYSA-N -1 0 311.384 3.655 20 0 DHADRM COc1ncc(Nc2ccc(C(=O)[O-])s2)cc1C(F)(F)F ZINC001174808281 1034632780 /nfs/dbraw/zinc/63/27/80/1034632780.db2.gz RLICDPXIOVUTQJ-UHFFFAOYSA-N -1 0 318.276 3.612 20 0 DHADRM O=C([O-])c1ccc(Nc2ccccc2OC2CCOCC2)s1 ZINC001174806846 1034633142 /nfs/dbraw/zinc/63/31/42/1034633142.db2.gz GARGCZYYOPCMHE-UHFFFAOYSA-N -1 0 319.382 3.748 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(O)cc2Br)s1 ZINC001174808062 1034633162 /nfs/dbraw/zinc/63/31/62/1034633162.db2.gz QUKXZSLTTQSEBL-UHFFFAOYSA-N -1 0 314.160 3.658 20 0 DHADRM COCCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])s1 ZINC001174808909 1034633732 /nfs/dbraw/zinc/63/37/32/1034633732.db2.gz WIWUTKCBCCIRNI-UHFFFAOYSA-N -1 0 324.377 3.777 20 0 DHADRM O=C([O-])c1ccc(Nc2c(O)cccc2Br)s1 ZINC001174810728 1034636164 /nfs/dbraw/zinc/63/61/64/1034636164.db2.gz QITRPWDHVBHNGJ-UHFFFAOYSA-N -1 0 314.160 3.658 20 0 DHADRM O=C(NCC[C@@H]1CCCC1(F)F)c1ccc([O-])c(Cl)c1 ZINC000881579743 1034636978 /nfs/dbraw/zinc/63/69/78/1034636978.db2.gz RTRMSIAAZKCFLZ-JTQLQIEISA-N -1 0 303.736 3.601 20 0 DHADRM O=C([N-]S(=O)(=O)c1ccccc1)c1cc2ccccc2s1 ZINC000042232345 1034691802 /nfs/dbraw/zinc/69/18/02/1034691802.db2.gz AUVKBZMJYCPYIA-UHFFFAOYSA-N -1 0 317.391 3.595 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cccnc2-c2ccccn2)cc1 ZINC001174948960 1034702117 /nfs/dbraw/zinc/70/21/17/1034702117.db2.gz DOEWMJKNUSXSIO-UHFFFAOYSA-N -1 0 305.337 3.514 20 0 DHADRM CCOC(=O)c1ccc(C)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174953530 1034704476 /nfs/dbraw/zinc/70/44/76/1034704476.db2.gz VMWBEALXEKTOPG-UHFFFAOYSA-N -1 0 313.353 3.542 20 0 DHADRM Cc1ccc(-n2nccc2Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174951785 1034704794 /nfs/dbraw/zinc/70/47/94/1034704794.db2.gz NTZFTYRRHSUDFK-UHFFFAOYSA-N -1 0 307.353 3.551 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cccc(O)c2Br)cc1 ZINC001174956563 1034706450 /nfs/dbraw/zinc/70/64/50/1034706450.db2.gz OLBUPVMXJQDEJM-UHFFFAOYSA-N -1 0 322.158 3.525 20 0 DHADRM CC(C)Oc1cc(F)ccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956125 1034707474 /nfs/dbraw/zinc/70/74/74/1034707474.db2.gz HOZISHYKRDGNCP-UHFFFAOYSA-N -1 0 303.333 3.984 20 0 DHADRM CC(C)(C)c1ccccc1OCC(=O)[N-]OCc1ccccc1 ZINC000025038479 1034740877 /nfs/dbraw/zinc/74/08/77/1034740877.db2.gz VHUNQOKIFGXDCY-UHFFFAOYSA-N -1 0 313.397 3.611 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(Br)c(C)c1 ZINC001174981173 1034744984 /nfs/dbraw/zinc/74/49/84/1034744984.db2.gz JBZDGKWKPSONRQ-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(-c2ccccc2)nn1C ZINC001174981281 1034745280 /nfs/dbraw/zinc/74/52/80/1034745280.db2.gz JFLACUURWLEQAU-UHFFFAOYSA-N -1 0 307.353 3.837 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(Cl)cnc2Cl)cc1F ZINC001175155319 1034816859 /nfs/dbraw/zinc/81/68/59/1034816859.db2.gz QIMMBTYSXJJEDE-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154078 1034817695 /nfs/dbraw/zinc/81/76/95/1034817695.db2.gz BIZRSMFQCRILIQ-UHFFFAOYSA-N -1 0 323.345 3.732 20 0 DHADRM COc1nc(Nc2ccc(C(=O)[O-])c(F)c2)cc2ccccc21 ZINC001175158300 1034819103 /nfs/dbraw/zinc/81/91/03/1034819103.db2.gz KJFNPHSAMWECEA-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM O=C([O-])c1ccc(Nc2csc(-c3ccncc3)n2)cc1F ZINC001175158888 1034820478 /nfs/dbraw/zinc/82/04/78/1034820478.db2.gz UYZWWJSEKOVURX-UHFFFAOYSA-N -1 0 315.329 3.786 20 0 DHADRM O=C([O-])c1ccc(Nc2cccnc2OC(F)(F)F)cc1F ZINC001175159080 1034820861 /nfs/dbraw/zinc/82/08/61/1034820861.db2.gz ZCDLAODOJDNKLO-UHFFFAOYSA-N -1 0 316.210 3.561 20 0 DHADRM Cc1ccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175159955 1034820917 /nfs/dbraw/zinc/82/09/17/1034820917.db2.gz BWLDONURILXSDR-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cnn1C1CCCC1 ZINC000192982137 1034826209 /nfs/dbraw/zinc/82/62/09/1034826209.db2.gz RRIIMGVVJHQVKA-UHFFFAOYSA-N -1 0 319.792 3.918 20 0 DHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]Oc1ccccc1 ZINC000773462975 1034826607 /nfs/dbraw/zinc/82/66/07/1034826607.db2.gz YOYORHJWHNWGII-CQSZACIVSA-N -1 0 305.761 3.608 20 0 DHADRM COC(=O)c1c(C)c(Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001175161459 1034834142 /nfs/dbraw/zinc/83/41/42/1034834142.db2.gz VTCCCNMPOQRSGX-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM Cc1c(-c2ccc(C3(O)CCC3)cc2)ccc(F)c1C(=O)[O-] ZINC000899641076 1034836308 /nfs/dbraw/zinc/83/63/08/1034836308.db2.gz QLCCJJISIGEZIN-UHFFFAOYSA-N -1 0 300.329 3.871 20 0 DHADRM COc1ccc(C(C)=O)c(Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001175219659 1034873293 /nfs/dbraw/zinc/87/32/93/1034873293.db2.gz CFKMQKOCSNJUPJ-UHFFFAOYSA-N -1 0 317.316 3.787 20 0 DHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000899796027 1034901687 /nfs/dbraw/zinc/90/16/87/1034901687.db2.gz HIXLHMVPRLVZCM-CHWSQXEVSA-N -1 0 309.431 3.549 20 0 DHADRM Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1F ZINC001175258279 1034908036 /nfs/dbraw/zinc/90/80/36/1034908036.db2.gz YTAIXHGIHLHOTM-UHFFFAOYSA-N -1 0 315.753 3.778 20 0 DHADRM CSc1ccccc1CN(C)C(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899831103 1034915481 /nfs/dbraw/zinc/91/54/81/1034915481.db2.gz OYYWZVQHCCCDJL-CQSZACIVSA-N -1 0 323.458 3.504 20 0 DHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000899841539 1034919652 /nfs/dbraw/zinc/91/96/52/1034919652.db2.gz CPEOTMUQEJQSJC-GOSISDBHSA-N -1 0 321.417 3.831 20 0 DHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)NC1(C2CCCCC2)CC1 ZINC000899853922 1034927904 /nfs/dbraw/zinc/92/79/04/1034927904.db2.gz BQBBVKBIKOIETQ-UHFFFAOYSA-N -1 0 323.339 3.506 20 0 DHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC001175316142 1034929146 /nfs/dbraw/zinc/92/91/46/1034929146.db2.gz NNZPOTMFEKPMGC-UHFFFAOYSA-N -1 0 319.744 3.877 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnn2CC(F)(F)F)cc1Cl ZINC001175316139 1034929604 /nfs/dbraw/zinc/92/96/04/1034929604.db2.gz NMRSQCFBGDXQMW-UHFFFAOYSA-N -1 0 319.670 3.541 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnc(Cl)c2F)cc1Cl ZINC001175317469 1034931084 /nfs/dbraw/zinc/93/10/84/1034931084.db2.gz YGDKBANCNZFZIJ-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM COC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319976 1034932701 /nfs/dbraw/zinc/93/27/01/1034932701.db2.gz KZOXFJPDURZLRF-UHFFFAOYSA-N -1 0 305.717 3.568 20 0 DHADRM Cc1cc(Br)cnc1Nc1cccc(C(=O)[O-])c1 ZINC001175328540 1034935493 /nfs/dbraw/zinc/93/54/93/1034935493.db2.gz LQWOMKGPVLWIRY-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM O=C([O-])c1cccc(Nc2cnc3cc(F)c(F)cc3c2)c1 ZINC001175328088 1034935632 /nfs/dbraw/zinc/93/56/32/1034935632.db2.gz BOFWKZGCEBONIJ-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM COc1ncc(Nc2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001175328801 1034935794 /nfs/dbraw/zinc/93/57/94/1034935794.db2.gz NGVSNDKIJAVFBD-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)ncc1Br ZINC001175328202 1034936028 /nfs/dbraw/zinc/93/60/28/1034936028.db2.gz DWWUFRDZGSSBSU-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(C)c1Br ZINC001175328068 1034936109 /nfs/dbraw/zinc/93/61/09/1034936109.db2.gz BMRLZSFSMUMIQP-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM COc1cccc(Br)c1Nc1cccc(C(=O)[O-])c1 ZINC001175331719 1034937310 /nfs/dbraw/zinc/93/73/10/1034937310.db2.gz VFXZJOQJYFJBPH-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1ccccc1-n1nc(C)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175329225 1034937325 /nfs/dbraw/zinc/93/73/25/1034937325.db2.gz VGUYWNWEZLYQHW-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM O=C([O-])c1cccc(Nc2nc(Cl)c(Cl)nc2Cl)c1 ZINC001175330806 1034937620 /nfs/dbraw/zinc/93/76/20/1034937620.db2.gz QYWGXBMLTZJWTE-UHFFFAOYSA-N -1 0 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O=C(Nc1ccnn1C1CCCC1)c1cccc(Cl)c1[O-] ZINC000775695177 1036473371 /nfs/dbraw/zinc/47/33/71/1036473371.db2.gz HHUUBHNZOIIXCD-UHFFFAOYSA-N -1 0 305.765 3.610 20 0 DHADRM CC1(C)C(NC(=O)c2c([O-])cc(Cl)cc2Cl)C1(C)C ZINC001182902705 1036480529 /nfs/dbraw/zinc/48/05/29/1036480529.db2.gz KMSLMSVOLFJABX-UHFFFAOYSA-N -1 0 302.201 3.863 20 0 DHADRM O=C(NC1CC(c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000775709116 1036505565 /nfs/dbraw/zinc/50/55/65/1036505565.db2.gz DQNQFOZKGHQWEV-UHFFFAOYSA-N -1 0 301.773 3.722 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c(F)c1 ZINC001196354676 1036511849 /nfs/dbraw/zinc/51/18/49/1036511849.db2.gz WKXBDGONLVGAPD-UHFFFAOYSA-N -1 0 320.389 3.597 20 0 DHADRM [S-]c1ccccc1Nc1cccc(CCN2CCOCC2)c1 ZINC001204365873 1036512793 /nfs/dbraw/zinc/51/27/93/1036512793.db2.gz IRTDMEAJFITTRY-UHFFFAOYSA-N -1 0 314.454 3.594 20 0 DHADRM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(Cl)c1[O-] ZINC000775713333 1036515812 /nfs/dbraw/zinc/51/58/12/1036515812.db2.gz IHXBHHCBICWHQH-UHFFFAOYSA-N -1 0 313.744 3.688 20 0 DHADRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)cc3F)ccc2o1 ZINC001196384964 1036516566 /nfs/dbraw/zinc/51/65/66/1036516566.db2.gz SGIGCJZNNJXUIM-UHFFFAOYSA-N -1 0 319.357 3.990 20 0 DHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc(F)c2cnccc12 ZINC001183188171 1036538412 /nfs/dbraw/zinc/53/84/12/1036538412.db2.gz GZSRBDQVPJPPRV-UHFFFAOYSA-N -1 0 312.369 3.844 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000762159425 1036565460 /nfs/dbraw/zinc/56/54/60/1036565460.db2.gz VOLGGFAPGFDEPS-PLFFATQSSA-N -1 0 323.392 3.992 20 0 DHADRM C[C@H]1c2ccccc2CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000775724636 1036566510 /nfs/dbraw/zinc/56/65/10/1036566510.db2.gz FWFFMMRNTRBMQS-NSHDSACASA-N -1 0 301.773 3.805 20 0 DHADRM Cc1cc(OC(C)C)ccc1C(=O)Nc1ccc(F)c(O)c1 ZINC001196768681 1036602925 /nfs/dbraw/zinc/60/29/25/1036602925.db2.gz JSSNZQWMWPNHSI-UHFFFAOYSA-N -1 0 303.333 3.879 20 0 DHADRM CCC(CC)(CC(=O)NCc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC000491762555 1036634453 /nfs/dbraw/zinc/63/44/53/1036634453.db2.gz MQIRWQIGJLKKRT-UHFFFAOYSA-N -1 0 317.429 3.851 20 0 DHADRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001197069291 1036680254 /nfs/dbraw/zinc/68/02/54/1036680254.db2.gz FOFASHJXHHFUAU-JTQLQIEISA-N -1 0 318.373 3.572 20 0 DHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3ncccc3c2)cc1 ZINC001197069224 1036680370 /nfs/dbraw/zinc/68/03/70/1036680370.db2.gz DELYKGPOZVWKCY-UHFFFAOYSA-N -1 0 323.377 3.742 20 0 DHADRM CC1(C)CCCC[C@@H]1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197139895 1036684940 /nfs/dbraw/zinc/68/49/40/1036684940.db2.gz KOZJHGHRIJLMBQ-ZDUSSCGKSA-N -1 0 306.431 3.640 20 0 DHADRM COc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1C ZINC001197113821 1036691549 /nfs/dbraw/zinc/69/15/49/1036691549.db2.gz VCGOBSPLGFMQMD-UHFFFAOYSA-N -1 0 316.382 3.511 20 0 DHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775762797 1036701607 /nfs/dbraw/zinc/70/16/07/1036701607.db2.gz UNPCRILRXRUMIC-QWRGUYRKSA-N -1 0 313.850 3.792 20 0 DHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775762796 1036703418 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333055253 /nfs/dbraw/zinc/05/52/53/333055253.db2.gz XNKLASGNNHYRAQ-UHFFFAOYSA-N -1 0 321.332 3.821 20 0 DHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183372758 333056228 /nfs/dbraw/zinc/05/62/28/333056228.db2.gz FKQAUOIZEHCLKW-SECBINFHSA-N -1 0 309.287 3.643 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c(C)s1 ZINC000183383372 333056233 /nfs/dbraw/zinc/05/62/33/333056233.db2.gz AMMJUWNXAOOIHL-MRVPVSSYSA-N -1 0 311.353 3.840 20 0 DHADRM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183556343 333059116 /nfs/dbraw/zinc/05/91/16/333059116.db2.gz XKQFOAOPEUMMNM-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM Cc1c(CNC(=O)c2cc(F)c([O-])c(F)c2)oc2ccccc12 ZINC000183625311 333059660 /nfs/dbraw/zinc/05/96/60/333059660.db2.gz KEQGNQWYJHRKQA-UHFFFAOYSA-N -1 0 317.291 3.655 20 0 DHADRM CC(C)[C@H](C)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000172363010 333062087 /nfs/dbraw/zinc/06/20/87/333062087.db2.gz CNYLWHQQSGOVHO-JTQLQIEISA-N -1 0 304.415 3.766 20 0 DHADRM 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ZINC000535138560 334374557 /nfs/dbraw/zinc/37/45/57/334374557.db2.gz RDDBTKAIDYHELX-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000341717531 334473325 /nfs/dbraw/zinc/47/33/25/334473325.db2.gz MZDSSEVGCXNMCU-UHFFFAOYSA-N -1 0 319.360 3.810 20 0 DHADRM CC(=Cc1ccc(C(=O)[O-])cc1)c1nc(=O)c2ccsc2[nH]1 ZINC000342255971 334527890 /nfs/dbraw/zinc/52/78/90/334527890.db2.gz WCVRHFYXXHOQIF-HJWRWDBZSA-N -1 0 312.350 3.656 20 0 DHADRM Cc1nc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c[nH]1 ZINC000343030735 334596927 /nfs/dbraw/zinc/59/69/27/334596927.db2.gz PTXVOEMVOCVSDM-UHFFFAOYSA-N -1 0 320.563 3.636 20 0 DHADRM CN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416282365 334659423 /nfs/dbraw/zinc/65/94/23/334659423.db2.gz CDZRWPCHVBDAMR-DTWKUNHWSA-N -1 0 316.854 3.789 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000331241188 334849972 /nfs/dbraw/zinc/84/99/72/334849972.db2.gz QBVOZSGYOTZOHT-UHFFFAOYSA-N -1 0 311.328 3.749 20 0 DHADRM 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O=C(c1ccc(Cl)c(Cl)c1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436832186 338288953 /nfs/dbraw/zinc/28/89/53/338288953.db2.gz GPDMVQWTFQAGQR-LDYMZIIASA-N -1 0 300.185 3.714 20 0 DHADRM CC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000436852603 338289857 /nfs/dbraw/zinc/28/98/57/338289857.db2.gz AUVDSWBQSBZVIZ-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM O=C(NC1(C(F)F)CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000436854178 338289959 /nfs/dbraw/zinc/28/99/59/338289959.db2.gz FXWBNOYPNJAUGJ-UHFFFAOYSA-N -1 0 303.736 3.743 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000436860781 338290419 /nfs/dbraw/zinc/29/04/19/338290419.db2.gz HSRASOADTFTUDN-UHFFFAOYSA-N -1 0 322.364 3.945 20 0 DHADRM COc1ccccc1[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436865144 338290474 /nfs/dbraw/zinc/29/04/74/338290474.db2.gz QKGSBHVINHXXFJ-VIFPVBQESA-N -1 0 323.751 3.684 20 0 DHADRM CSc1cc(-c2nc(-c3ccc(O)cc3)no2)ccc1F ZINC000436867395 338290545 /nfs/dbraw/zinc/29/05/45/338290545.db2.gz BXGHKCCVRARBEU-UHFFFAOYSA-N -1 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AMDGRYXBSHTXSN-HNNXBMFYSA-N -1 0 319.763 3.910 20 0 DHADRM O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)c([O-])c(Cl)c1 ZINC000436921959 338293516 /nfs/dbraw/zinc/29/35/16/338293516.db2.gz LGUGWQGFTHTELP-AWEZNQCLSA-N -1 0 323.726 3.741 20 0 DHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1c([O-])cccc1F ZINC000436946159 338295220 /nfs/dbraw/zinc/29/52/20/338295220.db2.gz WAINGQGBMGXSLG-UHFFFAOYSA-N -1 0 309.340 3.957 20 0 DHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(F)cc1[O-] ZINC000436952637 338295520 /nfs/dbraw/zinc/29/55/20/338295520.db2.gz YBEWRJCVJVQEMC-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM CCc1cnccc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436973269 338296357 /nfs/dbraw/zinc/29/63/57/338296357.db2.gz XGSRGJIVILTMOR-UHFFFAOYSA-N -1 0 311.168 3.909 20 0 DHADRM Cc1cc2c[nH]nc2cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436994391 338297075 /nfs/dbraw/zinc/29/70/75/338297075.db2.gz MLMANYBYAOEYKV-UHFFFAOYSA-N -1 0 319.723 3.622 20 0 DHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436995501 338297119 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ZINC000236744101 519835433 /nfs/dbraw/zinc/83/54/33/519835433.db2.gz GTDJXQIZQLKIMA-UHFFFAOYSA-N -1 0 305.418 3.504 20 0 DHADRM CCC1CCC(N(C(=O)c2ccc(C(=O)[O-])o2)C2CC2)CC1 ZINC000236658154 519851890 /nfs/dbraw/zinc/85/18/90/519851890.db2.gz PXCGAMJKWXEXQI-UHFFFAOYSA-N -1 0 305.374 3.551 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000179974799 520396612 /nfs/dbraw/zinc/39/66/12/520396612.db2.gz NERRWVWGLROTNB-KGLIPLIRSA-N -1 0 319.401 3.613 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000236853597 520400269 /nfs/dbraw/zinc/40/02/69/520400269.db2.gz PNMJJDAWNDCLTC-UHFFFAOYSA-N -1 0 319.382 3.796 20 0 DHADRM CCC(CC)(C(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000236869282 521381683 /nfs/dbraw/zinc/38/16/83/521381683.db2.gz FPKGJSMMQNIOIC-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000011261535 521386647 /nfs/dbraw/zinc/38/66/47/521386647.db2.gz PXUJAFRWPAVXCL-UHFFFAOYSA-N -1 0 317.307 3.925 20 0 DHADRM CC[C@@H](CC(=O)NCCCCCC(=O)[O-])c1ccc(C)cc1 ZINC000236921875 522473261 /nfs/dbraw/zinc/47/32/61/522473261.db2.gz AWCVAFOEGDYWHY-HNNXBMFYSA-N -1 0 305.418 3.640 20 0 DHADRM COc1cc(NC(=O)C(C)(C)C2CCCC2)ccc1C(=O)[O-] ZINC000262906001 522643657 /nfs/dbraw/zinc/64/36/57/522643657.db2.gz JEBYCTLFTLSDJM-UHFFFAOYSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc([O-])c(Cl)c1)c1nc(C)cs1 ZINC000180065650 523484691 /nfs/dbraw/zinc/48/46/91/523484691.db2.gz LGNIDHSNGDZFLH-HNNXBMFYSA-N -1 0 324.833 3.866 20 0 DHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237142026 523893031 /nfs/dbraw/zinc/89/30/31/523893031.db2.gz MEHIBLDNIDFBJS-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)c1cccs1 ZINC000262572086 524245134 /nfs/dbraw/zinc/24/51/34/524245134.db2.gz ZGUMKTOSHKMQFV-UHFFFAOYSA-N -1 0 317.410 3.979 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000237689460 524302528 /nfs/dbraw/zinc/30/25/28/524302528.db2.gz DSFGLDPUYQOHKG-UHFFFAOYSA-N 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601068640 /nfs/dbraw/zinc/06/86/40/601068640.db2.gz WSZBRHBQRKZELJ-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM Cc1cc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832872433 601072747 /nfs/dbraw/zinc/07/27/47/601072747.db2.gz UDHDEDGMTKYJEH-INIZCTEOSA-N -1 0 316.328 3.734 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CC1=CCCCC1 ZINC000833177422 601080802 /nfs/dbraw/zinc/08/08/02/601080802.db2.gz NJTWJIXKYRUNQH-IRXDYDNUSA-N -1 0 319.445 3.759 20 0 DHADRM CC(C)CCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316964513 601088195 /nfs/dbraw/zinc/08/81/95/601088195.db2.gz HWNMQXHXWWONCY-UHFFFAOYSA-N -1 0 306.406 3.607 20 0 DHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321095167 601088449 /nfs/dbraw/zinc/08/84/49/601088449.db2.gz BDTMOQCCKRDLEZ-WFASDCNBSA-N -1 0 318.417 3.749 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])C1 ZINC000828233713 601089195 /nfs/dbraw/zinc/08/91/95/601089195.db2.gz QXFSFJWEETVNJA-XLNGHYISSA-N -1 0 321.461 3.695 20 0 DHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000321115815 601090067 /nfs/dbraw/zinc/09/00/67/601090067.db2.gz GWGGGBLGAACPJZ-BETUJISGSA-N -1 0 318.417 3.559 20 0 DHADRM C/C(=C/CSc1nccn1-c1cccc(Cl)c1)C(=O)[O-] ZINC000736120872 601097688 /nfs/dbraw/zinc/09/76/88/601097688.db2.gz GBNXBGHLQZFLPS-YHYXMXQVSA-N -1 0 308.790 3.649 20 0 DHADRM CN(Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830811212 601119881 /nfs/dbraw/zinc/11/98/81/601119881.db2.gz TVKVIRWGVSPSJQ-KRWDZBQOSA-N -1 0 313.328 3.830 20 0 DHADRM CCN(C(=O)C[C@@H](C)C1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000737053002 601125246 /nfs/dbraw/zinc/12/52/46/601125246.db2.gz OURNLRBWTPQLGB-LLVKDONJSA-N -1 0 324.446 3.801 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC000832917811 601126919 /nfs/dbraw/zinc/12/69/19/601126919.db2.gz ZVVJRRKJIGIZFN-LBPRGKRZSA-N -1 0 310.353 3.802 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000316335255 601144717 /nfs/dbraw/zinc/14/47/17/601144717.db2.gz 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601151293 /nfs/dbraw/zinc/15/12/93/601151293.db2.gz AUVCNIWTVFXTDZ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1c(C(=O)N(C)c2ccccc2C(=O)[O-])cnc2ccccc12 ZINC000832848665 601152109 /nfs/dbraw/zinc/15/21/09/601152109.db2.gz KQAFBMWMRYJSPM-UHFFFAOYSA-N -1 0 320.348 3.518 20 0 DHADRM Cc1cccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)c1 ZINC000832969523 601153404 /nfs/dbraw/zinc/15/34/04/601153404.db2.gz KUASQNKXGRGFOR-CABCVRRESA-N -1 0 303.402 3.627 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262547740 601162795 /nfs/dbraw/zinc/16/27/95/601162795.db2.gz WILKGFVDYQKQRI-KEYYUXOJSA-N -1 0 317.429 3.781 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262488891 601166595 /nfs/dbraw/zinc/16/65/95/601166595.db2.gz LRIWFIPPTXPDCC-GRDNDAEWSA-N -1 0 305.418 3.637 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)CCCN(C)C(=O)[O-])C(C)(C)C ZINC000832982145 601168830 /nfs/dbraw/zinc/16/88/30/601168830.db2.gz OOVWDBXGXPPKIZ-INIZCTEOSA-N -1 0 320.433 3.588 20 0 DHADRM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@@H]1c1cccc(F)c1 ZINC000833171542 601183474 /nfs/dbraw/zinc/18/34/74/601183474.db2.gz CAVZLZAUFJAGFO-HZPDHXFCSA-N -1 0 303.308 3.538 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000663122995 601185501 /nfs/dbraw/zinc/18/55/01/601185501.db2.gz GLOZDMNROWOMJG-INIZCTEOSA-N -1 0 317.429 3.549 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000320771628 601207129 /nfs/dbraw/zinc/20/71/29/601207129.db2.gz YNFFSJYOXKYFSH-NWDGAFQWSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1ccc([C@H](CNc2ncnc3cccc(C)c32)C(=O)[O-])cc1 ZINC000832924204 601208987 /nfs/dbraw/zinc/20/89/87/601208987.db2.gz ZATVNBNXPVEAGA-HNNXBMFYSA-N -1 0 321.380 3.527 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)NCCCCC(=O)[O-])C(C)(C)C ZINC000666534802 601213138 /nfs/dbraw/zinc/21/31/38/601213138.db2.gz OOJLBYQTWZEYTL-INIZCTEOSA-N -1 0 320.433 3.636 20 0 DHADRM CCOc1ccccc1OCCOc1ccccc1NC(=O)[O-] ZINC000830117019 601228295 /nfs/dbraw/zinc/22/82/95/601228295.db2.gz MDCKVPXKNRXYLV-UHFFFAOYSA-N -1 0 317.341 3.633 20 0 DHADRM O=C([O-])c1cc(NC(=O)C/C=C\c2ccc(F)cc2)ccc1F ZINC000767089309 601273178 /nfs/dbraw/zinc/27/31/78/601273178.db2.gz JTSVJJHIWZKTDZ-UPHRSURJSA-N -1 0 317.291 3.705 20 0 DHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829014052 601275784 /nfs/dbraw/zinc/27/57/84/601275784.db2.gz AHTABCHFGQKREB-GFCCVEGCSA-N -1 0 319.382 3.551 20 0 DHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829014638 601277731 /nfs/dbraw/zinc/27/77/31/601277731.db2.gz LYVQSLYWZUUOBX-CYBMUJFWSA-N -1 0 319.382 3.551 20 0 DHADRM C/C=C(\C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000828535045 601282328 /nfs/dbraw/zinc/28/23/28/601282328.db2.gz VNZNRZRHYFWQSU-GXWOQWCDSA-N -1 0 316.184 3.544 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)c(F)c1 ZINC000833097047 601282714 /nfs/dbraw/zinc/28/27/14/601282714.db2.gz ZGXYPJKLFPDSSI-UPHRSURJSA-N -1 0 317.291 3.705 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C1CCCC1 ZINC000825994349 601287532 /nfs/dbraw/zinc/28/75/32/601287532.db2.gz FNNDGFKKQAPQFS-ABAIWWIYSA-N -1 0 323.820 3.798 20 0 DHADRM CC(C)=C(C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000826642447 601289528 /nfs/dbraw/zinc/28/95/28/601289528.db2.gz ZHFZKUSXLFFICS-MRXNPFEDSA-N -1 0 317.429 3.972 20 0 DHADRM CC(C)=C(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000826642446 601289708 /nfs/dbraw/zinc/28/97/08/601289708.db2.gz ZHFZKUSXLFFICS-INIZCTEOSA-N -1 0 317.429 3.972 20 0 DHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828150951 601296350 /nfs/dbraw/zinc/29/63/50/601296350.db2.gz SHCGDWCLIBHAEU-DZGCQCFKSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000237527382 601298746 /nfs/dbraw/zinc/29/87/46/601298746.db2.gz KXBUPJQNFKNWHT-TVQRCGJNSA-N -1 0 323.801 3.593 20 0 DHADRM Cc1ccc(NC(=S)Nc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832948849 601339140 /nfs/dbraw/zinc/33/91/40/601339140.db2.gz HVUYNCPCTDIGLW-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM CO[C@@H](C)c1nc(CSCc2ccc(C(=O)[O-])cc2)cs1 ZINC000818530379 601346552 /nfs/dbraw/zinc/34/65/52/601346552.db2.gz HZXVVPGKWSPBGE-JTQLQIEISA-N -1 0 323.439 3.982 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000833096690 601350693 /nfs/dbraw/zinc/35/06/93/601350693.db2.gz UEBIRSVRAJZHBF-OWOJBTEDSA-N -1 0 317.291 3.705 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1nc2ccccc2n1C ZINC000830394579 601395471 /nfs/dbraw/zinc/39/54/71/601395471.db2.gz IBGKDPCPDQXMDS-UHFFFAOYSA-N -1 0 316.382 3.719 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)ccc2Cl)CCC1 ZINC000094291111 601403388 /nfs/dbraw/zinc/40/33/88/601403388.db2.gz WVQLGZVFZJHVDX-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSC[C@@H](O)c1ccccc1 ZINC000830394240 601406494 /nfs/dbraw/zinc/40/64/94/601406494.db2.gz BLVQCRDIVBBDHJ-CYBMUJFWSA-N -1 0 306.383 3.507 20 0 DHADRM C/C(=C/COC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000825787007 601406682 /nfs/dbraw/zinc/40/66/82/601406682.db2.gz SYYBZCRCTRAJCA-VURMDHGXSA-N -1 0 310.758 3.742 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1ncc(C(C)C)n1C ZINC000830394417 601409100 /nfs/dbraw/zinc/40/91/00/601409100.db2.gz DYPMPJSHHMQPOS-UHFFFAOYSA-N -1 0 308.403 3.689 20 0 DHADRM CCc1oc(C(=O)[O-])cc1C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000830363312 601420543 /nfs/dbraw/zinc/42/05/43/601420543.db2.gz RIVFKGZOCPJHQN-GFCCVEGCSA-N -1 0 317.385 3.829 20 0 DHADRM C/C(=C\COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000825752285 601424290 /nfs/dbraw/zinc/42/42/90/601424290.db2.gz LBUKRVUTJJMFFS-GYPZGHTGSA-N -1 0 310.349 3.517 20 0 DHADRM C/C(=C\COC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000825752178 601428553 /nfs/dbraw/zinc/42/85/53/601428553.db2.gz JUUBVHYZRLOCTP-QRJSTWQJSA-N -1 0 317.168 3.671 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3c(cccc3Cl)s2)CCC1 ZINC000653322299 601438863 /nfs/dbraw/zinc/43/88/63/601438863.db2.gz OIKBXKLZBSDFQG-UHFFFAOYSA-N -1 0 323.801 3.682 20 0 DHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000828765058 601446983 /nfs/dbraw/zinc/44/69/83/601446983.db2.gz UNMBZNNIFBLVTC-SNVBAGLBSA-N -1 0 319.382 3.876 20 0 DHADRM C[C@H](OC(=O)C/C=C/c1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC000827824920 601470396 /nfs/dbraw/zinc/47/03/96/601470396.db2.gz BNHBOFGJLKBKBR-VUDBWIFFSA-N -1 0 318.300 3.825 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000828207709 601502132 /nfs/dbraw/zinc/50/21/32/601502132.db2.gz PLJYEDFOMSQKJZ-MNWMYKRDSA-N -1 0 317.385 3.615 20 0 DHADRM Cc1ccc(/C=C\CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832927744 601502915 /nfs/dbraw/zinc/50/29/15/601502915.db2.gz KDINITHGWLDHFU-RURPWVQCSA-N -1 0 323.392 3.683 20 0 DHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000832929848 601503401 /nfs/dbraw/zinc/50/34/01/601503401.db2.gz RGFRAOYIALKVGY-NSCUHMNNSA-N -1 0 324.380 3.805 20 0 DHADRM Cc1ccc(/C=C/CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000554100922 601504293 /nfs/dbraw/zinc/50/42/93/601504293.db2.gz YKLLTFHYPZBCEC-SNAWJCMRSA-N -1 0 309.365 3.664 20 0 DHADRM CC(C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)=C1CCCC1 ZINC000826008813 601504614 /nfs/dbraw/zinc/50/46/14/601504614.db2.gz OIWIEUKVMMXEJK-HNNXBMFYSA-N -1 0 321.804 3.863 20 0 DHADRM Cc1ccc(/C=C/CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832928659 601504908 /nfs/dbraw/zinc/50/49/08/601504908.db2.gz VPJGDYUYUBMHHV-AATRIKPKSA-N -1 0 309.365 3.760 20 0 DHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000832835885 601527785 /nfs/dbraw/zinc/52/77/85/601527785.db2.gz NYEQWSUGTXKXJO-VIFPVBQESA-N -1 0 320.295 3.546 20 0 DHADRM O=C([O-])c1occc1CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000833346873 601563858 /nfs/dbraw/zinc/56/38/58/601563858.db2.gz RYTGZAKHOHBXMI-UHFFFAOYSA-N -1 0 323.348 3.796 20 0 DHADRM Cc1ccc(/C=C/CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832927816 601567539 /nfs/dbraw/zinc/56/75/39/601567539.db2.gz BMYVCYZJCXFVCI-OOPCZODUSA-N -1 0 314.337 3.994 20 0 DHADRM Cc1ccc(NC(=O)/C=C\SCc2ccco2)c(C(=O)[O-])c1 ZINC000588434963 601571158 /nfs/dbraw/zinc/57/11/58/601571158.db2.gz JCLGKVOSUJSPKB-VURMDHGXSA-N -1 0 317.366 3.672 20 0 DHADRM O=C([O-])[C@H](NC(=O)/C=C/C1CCCCC1)c1ccc(Cl)cc1 ZINC000776651408 601581615 /nfs/dbraw/zinc/58/16/15/601581615.db2.gz SROOWVZOUYDWDJ-HKUPYCBJSA-N -1 0 321.804 3.718 20 0 DHADRM Cc1cccc2[nH]c(COC(=O)c3cccc(NC(=O)[O-])c3)cc21 ZINC000832976509 601599789 /nfs/dbraw/zinc/59/97/89/601599789.db2.gz ZRNQILUMZCPMRQ-UHFFFAOYSA-N -1 0 324.336 3.923 20 0 DHADRM CC[C@@H](CC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC000676025334 601604088 /nfs/dbraw/zinc/60/40/88/601604088.db2.gz QISZZIATKBBNRO-HNNXBMFYSA-N -1 0 317.429 3.640 20 0 DHADRM Cc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832978903 601614825 /nfs/dbraw/zinc/61/48/25/601614825.db2.gz RQFJFQPRKADGJM-XJKSGUPXSA-N -1 0 312.369 3.579 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000039303643 601615169 /nfs/dbraw/zinc/61/51/69/601615169.db2.gz HALWXBLCNPQRGP-JXMROGBWSA-N -1 0 315.756 3.619 20 0 DHADRM CC[C@@H](C)Sc1ccc(NC(=O)NC[C@H](C)C(=O)[O-])c(C)c1 ZINC000653537982 601622336 /nfs/dbraw/zinc/62/23/36/601622336.db2.gz NQFGKMUXPUCLMN-NWDGAFQWSA-N -1 0 324.446 3.728 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000832904889 601623240 /nfs/dbraw/zinc/62/32/40/601623240.db2.gz FKJHZPOXTOUZQU-NSHDSACASA-N -1 0 324.446 3.728 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000316895717 601625264 /nfs/dbraw/zinc/62/52/64/601625264.db2.gz YUNHYAOJCOXIOC-QMTHXVAHSA-N -1 0 322.792 3.835 20 0 DHADRM CCC(=O)c1ccc(OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000122671816 601627103 /nfs/dbraw/zinc/62/71/03/601627103.db2.gz YEKFZGYXAZWCIX-UHFFFAOYSA-N -1 0 304.367 3.926 20 0 DHADRM CCOc1ccc(C=O)c(OCc2cc(C(=O)[O-])sc2C)c1 ZINC000830071468 601627981 /nfs/dbraw/zinc/62/79/81/601627981.db2.gz XQFCSKSKZFRKFG-UHFFFAOYSA-N -1 0 320.366 3.545 20 0 DHADRM Cc1ccc2c(Cl)c(C(=O)N(CC(=O)[O-])C3CC3)sc2c1 ZINC000738293824 601632922 /nfs/dbraw/zinc/63/29/22/601632922.db2.gz VVLHYFZQEDWLRY-UHFFFAOYSA-N -1 0 323.801 3.552 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1cccc2c1CCCC2=O ZINC000833031610 601640456 /nfs/dbraw/zinc/64/04/56/601640456.db2.gz QDXWLJQJLLXDET-UHFFFAOYSA-N -1 0 316.378 3.853 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000828765181 601653473 /nfs/dbraw/zinc/65/34/73/601653473.db2.gz YQEIUODZEFORAV-SECBINFHSA-N -1 0 318.398 3.916 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(F)cc(Cl)c2)c1 ZINC000833319278 601664015 /nfs/dbraw/zinc/66/40/15/601664015.db2.gz KFTPCUWLKOFCJJ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826763496 601668489 /nfs/dbraw/zinc/66/84/89/601668489.db2.gz BKCAKWPWAABKNB-LBPRGKRZSA-N -1 0 308.378 3.556 20 0 DHADRM CC(C)CC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCC1 ZINC000826820282 601675587 /nfs/dbraw/zinc/67/55/87/601675587.db2.gz PQWMTNLVLFLJKG-CQSZACIVSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)c1cnc(SCc2ccc(C(=O)[O-])c(F)c2)n1C ZINC000827139234 601677317 /nfs/dbraw/zinc/67/73/17/601677317.db2.gz HFWGMZWSEMBPOF-UHFFFAOYSA-N -1 0 308.378 3.673 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCC1 ZINC000829065409 601701496 /nfs/dbraw/zinc/70/14/96/601701496.db2.gz AZEZTOXFQGNAOI-UHFFFAOYSA-N -1 0 305.378 3.503 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc2ccccc2[nH]1 ZINC000833033510 601703497 /nfs/dbraw/zinc/70/34/97/601703497.db2.gz WQNNPCSKJVJYFV-UHFFFAOYSA-N -1 0 315.350 3.593 20 0 DHADRM Cc1sc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c(C(=O)[O-])c1C ZINC000385512724 601705755 /nfs/dbraw/zinc/70/57/55/601705755.db2.gz OQJFENAZHVIXQL-JTQLQIEISA-N -1 0 310.419 3.715 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000236751884 601708726 /nfs/dbraw/zinc/70/87/26/601708726.db2.gz WXHULIJZOUKQCR-ZDUSSCGKSA-N -1 0 305.418 3.531 20 0 DHADRM CCCC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C1CCC1 ZINC000829296298 601718276 /nfs/dbraw/zinc/71/82/76/601718276.db2.gz PQEJKZYDEIKOCX-HNNXBMFYSA-N -1 0 304.390 3.865 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1ccccc1Cl ZINC000833030701 601720575 /nfs/dbraw/zinc/72/05/75/601720575.db2.gz CJBSTSUHMLRWJI-UHFFFAOYSA-N -1 0 324.785 3.694 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(C)cc1F ZINC000832918742 601732971 /nfs/dbraw/zinc/73/29/71/601732971.db2.gz PCAOZXBYCCZBCS-UHFFFAOYSA-N -1 0 308.330 3.559 20 0 DHADRM O=C([O-])[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1F ZINC000678987962 601734672 /nfs/dbraw/zinc/73/46/72/601734672.db2.gz VKDDASIJWMRZDY-KRWDZBQOSA-N -1 0 323.323 3.535 20 0 DHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC000825991165 601749021 /nfs/dbraw/zinc/74/90/21/601749021.db2.gz XMBCOJFEJAGCAC-IAQYHMDHSA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000826826213 601754621 /nfs/dbraw/zinc/75/46/21/601754621.db2.gz DBHFGBIFWWSPKU-UHFFFAOYSA-N -1 0 323.368 3.863 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)NCCCCCCC(=O)[O-])ccc1F ZINC000832870438 601767840 /nfs/dbraw/zinc/76/78/40/601767840.db2.gz ICCRHEUCVZANLU-CYBMUJFWSA-N -1 0 324.396 3.529 20 0 DHADRM 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ZINC000050922877 948921791 /nfs/dbraw/zinc/92/17/91/948921791.db2.gz LJJPMDMKLFRDKK-CYBMUJFWSA-N -1 0 310.781 3.591 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000347488660 971526624 /nfs/dbraw/zinc/52/66/24/971526624.db2.gz BQFGACQOXXPWOE-GUYCJALGSA-N -1 0 317.429 3.673 20 0 DHADRM CCn1c(C(=O)Nc2ccccc2CC(=O)[O-])cc2ccccc21 ZINC000362711829 971536143 /nfs/dbraw/zinc/53/61/43/971536143.db2.gz NBQNYMYVZBGZPQ-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CCC1(CNC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)CCCCC1 ZINC001589615626 949366970 /nfs/dbraw/zinc/36/69/70/949366970.db2.gz QTZFMNKRQXHNIZ-GOSISDBHSA-N -1 0 324.465 3.633 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001602801400 971575764 /nfs/dbraw/zinc/57/57/64/971575764.db2.gz MJYTVSRHYZMVKY-CJNGLKHVSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC001595233775 949379160 /nfs/dbraw/zinc/37/91/60/949379160.db2.gz OYOKKAIVXGVOOT-UHFFFAOYSA-N -1 0 321.332 3.533 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000164996535 949418995 /nfs/dbraw/zinc/41/89/95/949418995.db2.gz BPMIXZMXKCBXPA-UHFFFAOYSA-N -1 0 318.200 3.614 20 0 DHADRM O=C([O-])c1cccc(CNc2cc(C3CC3)nc(C3CC3)n2)c1 ZINC001595244678 949503005 /nfs/dbraw/zinc/50/30/05/949503005.db2.gz IQNQLNDTQPBXHV-UHFFFAOYSA-N -1 0 309.369 3.542 20 0 DHADRM CCC[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001589630864 949536439 /nfs/dbraw/zinc/53/64/39/949536439.db2.gz QAKFAIZBGOSYCB-XHDPSFHLSA-N -1 0 323.820 3.688 20 0 DHADRM CC(C)[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000217268902 949549803 /nfs/dbraw/zinc/54/98/03/949549803.db2.gz JKJXNUBEADIGPW-MRXNPFEDSA-N -1 0 312.369 3.584 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001595254888 949579485 /nfs/dbraw/zinc/57/94/85/949579485.db2.gz HRMHLQGNEDENQZ-SOUVJXGZSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001595254885 949580760 /nfs/dbraw/zinc/58/07/60/949580760.db2.gz HRMHLQGNEDENQZ-QLFBSQMISA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001595255260 949592526 /nfs/dbraw/zinc/59/25/26/949592526.db2.gz KXOAYEIXVGZUPM-ZIAGYGMSSA-N -1 0 313.328 3.656 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589640846 949687907 /nfs/dbraw/zinc/68/79/07/949687907.db2.gz KUPSOTLYUZIMJQ-AWEZNQCLSA-N -1 0 305.418 3.650 20 0 DHADRM CCCCCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589641768 949697892 /nfs/dbraw/zinc/69/78/92/949697892.db2.gz AJZRIBGOVUQZEE-UHFFFAOYSA-N -1 0 307.394 3.508 20 0 DHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)CCCC(=O)[O-] ZINC001589650723 949780847 /nfs/dbraw/zinc/78/08/47/949780847.db2.gz SPWOBFRSLBZBHO-UHFFFAOYSA-N -1 0 309.406 3.588 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001589662540 949874526 /nfs/dbraw/zinc/87/45/26/949874526.db2.gz MWVZZGUZNHZVGD-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589672398 949943846 /nfs/dbraw/zinc/94/38/46/949943846.db2.gz INTRLCJFYVGTOS-MRXNPFEDSA-N -1 0 309.450 3.696 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc2ccccc21 ZINC000237937619 949980299 /nfs/dbraw/zinc/98/02/99/949980299.db2.gz VHTPPBVBEGQQBK-HNNXBMFYSA-N -1 0 311.381 3.699 20 0 DHADRM CCCN(CCC)c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC001589680588 950047213 /nfs/dbraw/zinc/04/72/13/950047213.db2.gz ZACOGVLSQMUOOR-UHFFFAOYSA-N -1 0 318.417 3.506 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)CCCC2CCCC2)Cc2ccccc21 ZINC000262123375 950069496 /nfs/dbraw/zinc/06/94/96/950069496.db2.gz GQVJFHBXFBMTEO-KRWDZBQOSA-N -1 0 315.413 3.558 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000263013987 950216218 /nfs/dbraw/zinc/21/62/18/950216218.db2.gz CPHMBWIJTAWLEU-PSASIEDQSA-N -1 0 320.191 3.675 20 0 DHADRM CCN(C(=O)Nc1ccc(C)c(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC001589702947 950241782 /nfs/dbraw/zinc/24/17/82/950241782.db2.gz HUYASBMDEWLJSK-MRVPVSSYSA-N -1 0 319.188 3.629 20 0 DHADRM CC(C)[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccccc1 ZINC000263107624 950270215 /nfs/dbraw/zinc/27/02/15/950270215.db2.gz DFGSDUQVYJUCQP-XIRDDKMYSA-N -1 0 317.429 3.528 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000263157867 950301879 /nfs/dbraw/zinc/30/18/79/950301879.db2.gz FXUCJKRMFRMZPP-KOLCDFICSA-N -1 0 302.201 3.536 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589740540 950582191 /nfs/dbraw/zinc/58/21/91/950582191.db2.gz RNSNIANQIBONKX-HNNXBMFYSA-N -1 0 323.820 3.580 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC1CCC(c2ccccc2)CC1 ZINC001602851810 971686696 /nfs/dbraw/zinc/68/66/96/971686696.db2.gz CFXDOKDERGSMJB-UYSNPLJNSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC001602853342 971699495 /nfs/dbraw/zinc/69/94/95/971699495.db2.gz SEIOLYOCANKPJO-LBPRGKRZSA-N -1 0 320.776 3.574 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C1(CC(=O)[O-])CCC1 ZINC001602854361 971703337 /nfs/dbraw/zinc/70/33/37/971703337.db2.gz FQKCHLDXTHTEAR-KBPBESRZSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C1(CC(=O)[O-])CCC1 ZINC001602854364 971703382 /nfs/dbraw/zinc/70/33/82/971703382.db2.gz FQKCHLDXTHTEAR-ZIAGYGMSSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001602854427 971704094 /nfs/dbraw/zinc/70/40/94/971704094.db2.gz IAQVWGAVVIOCNC-NWDGAFQWSA-N -1 0 319.405 3.506 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@H]1CCC=CCCC1 ZINC001595011187 951243365 /nfs/dbraw/zinc/24/33/65/951243365.db2.gz JOFPNNVVEGDHJU-JKSUJKDBSA-N -1 0 322.449 3.552 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC001595011966 951249916 /nfs/dbraw/zinc/24/99/16/951249916.db2.gz CNTHMGKLAHAEMQ-KRWDZBQOSA-N -1 0 313.397 3.506 20 0 DHADRM O=C([O-])CCCC(=O)OCCCc1cccc2ccccc21 ZINC001595028943 951362975 /nfs/dbraw/zinc/36/29/75/951362975.db2.gz MHJQEHQYMPCJFB-UHFFFAOYSA-N -1 0 300.354 3.571 20 0 DHADRM O=C([O-])CCCC(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC001595029153 951365826 /nfs/dbraw/zinc/36/58/26/951365826.db2.gz UMECPSQEAUYLTR-MDZDMXLPSA-N -1 0 316.382 3.507 20 0 DHADRM O=C([O-])CCCCC(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC001595031162 951368275 /nfs/dbraw/zinc/36/82/75/951368275.db2.gz DQTVMCPQDFSPQX-UHFFFAOYSA-N -1 0 321.804 3.601 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)OCc1ccc(Cl)cc1 ZINC001595138162 952066851 /nfs/dbraw/zinc/06/68/51/952066851.db2.gz VRIIZOJZLVNTCS-UHFFFAOYSA-N -1 0 320.728 3.683 20 0 DHADRM C[C@H]1CCCN(C(=O)CCCCCc2cccs2)[C@H]1C(=O)[O-] ZINC000424267879 953445835 /nfs/dbraw/zinc/44/58/35/953445835.db2.gz VPUWGTMKNVGSMG-XJKSGUPXSA-N -1 0 323.458 3.563 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424395338 953460096 /nfs/dbraw/zinc/46/00/96/953460096.db2.gz ZIVIORPOXQJSDX-UHFFFAOYSA-N -1 0 320.433 3.742 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001593610278 953467007 /nfs/dbraw/zinc/46/70/07/953467007.db2.gz IVXDPVUAHGVPNE-IYXBVRBPSA-N -1 0 309.450 3.621 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000520230211 953552377 /nfs/dbraw/zinc/55/23/77/953552377.db2.gz GSCONPIMJWUQFG-DOMZBBRYSA-N -1 0 323.458 3.721 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000535615612 953572761 /nfs/dbraw/zinc/57/27/61/953572761.db2.gz CTSYEZOOLCWTNI-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM CCc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1F ZINC001593632975 953588131 /nfs/dbraw/zinc/58/81/31/953588131.db2.gz ONDYBPBUBAOYBQ-CQSZACIVSA-N -1 0 322.380 3.639 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C(=O)[O-] ZINC001593642333 953657612 /nfs/dbraw/zinc/65/76/12/953657612.db2.gz GCZQYALEIVOONW-JKSUJKDBSA-N -1 0 309.365 3.689 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589310067 953780482 /nfs/dbraw/zinc/78/04/82/953780482.db2.gz CIZPBCBKLBDYPO-DZUCGIPZSA-N -1 0 323.477 3.702 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000630141087 953840958 /nfs/dbraw/zinc/84/09/58/953840958.db2.gz NKYOJVCOBXDMBF-YOEHRIQHSA-N -1 0 323.820 3.547 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001589319713 953848803 /nfs/dbraw/zinc/84/88/03/953848803.db2.gz POECRGITXHYSPR-STQMWFEESA-N -1 0 304.390 3.723 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(Cl)c1 ZINC000647690332 953962135 /nfs/dbraw/zinc/96/21/35/953962135.db2.gz DYBVPJRCBPICNK-UHFFFAOYSA-N -1 0 324.808 3.675 20 0 DHADRM CN(C(=O)Nc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593682041 953964807 /nfs/dbraw/zinc/96/48/07/953964807.db2.gz XYTUZLKXRKDQTR-UHFFFAOYSA-N -1 0 321.336 3.601 20 0 DHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000647703046 953970941 /nfs/dbraw/zinc/97/09/41/953970941.db2.gz JYSHKEHNZRBCQE-UHFFFAOYSA-N -1 0 316.401 3.673 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000650516432 954027509 /nfs/dbraw/zinc/02/75/09/954027509.db2.gz ADVCZIIEVRPMJD-CYBMUJFWSA-N -1 0 322.792 3.598 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 ZINC001594837050 954034286 /nfs/dbraw/zinc/03/42/86/954034286.db2.gz FJYUJROQOPWGFI-MRXNPFEDSA-N -1 0 309.321 3.635 20 0 DHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000652066419 954035565 /nfs/dbraw/zinc/03/55/65/954035565.db2.gz JKEREWCAAZIXQT-IUODEOHRSA-N -1 0 323.820 3.689 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)c1ccc(F)cc1)CC(=O)[O-] ZINC000652086304 954041775 /nfs/dbraw/zinc/04/17/75/954041775.db2.gz TZNMYSDFRXOVOY-KGLIPLIRSA-N -1 0 323.408 3.573 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001602973983 971982137 /nfs/dbraw/zinc/98/21/37/971982137.db2.gz BGZZQCGBROJRAZ-OWCLPIDISA-N -1 0 309.450 3.599 20 0 DHADRM Cc1c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)sc2c1CCCC2 ZINC000653293843 954101416 /nfs/dbraw/zinc/10/14/16/954101416.db2.gz PGUCBZOMBBAAIL-QGZVFWFLSA-N -1 0 319.426 3.685 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000653303168 954113234 /nfs/dbraw/zinc/11/32/34/954113234.db2.gz HRBGHRNJPBZSST-SECBINFHSA-N -1 0 315.772 3.547 20 0 DHADRM Cc1cccc([C@H](C)C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000653331870 954162810 /nfs/dbraw/zinc/16/28/10/954162810.db2.gz XOBHFQDJKPMQFT-KKXDTOCCSA-N -1 0 323.392 3.528 20 0 DHADRM Cc1oc2ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc2c1C ZINC000653543433 954191350 /nfs/dbraw/zinc/19/13/50/954191350.db2.gz MVAPSFGWUAZRLW-CQSZACIVSA-N -1 0 318.373 3.528 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000655549517 954198563 /nfs/dbraw/zinc/19/85/63/954198563.db2.gz WEGYSKZPHDJQSK-UHFFFAOYSA-N -1 0 322.361 3.533 20 0 DHADRM Cc1coc(-c2cc(NC(=O)CCCCC(=O)[O-])ccc2C)n1 ZINC000655555797 954201971 /nfs/dbraw/zinc/20/19/71/954201971.db2.gz KKEZURHFMUWFDK-UHFFFAOYSA-N -1 0 316.357 3.542 20 0 DHADRM CCC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCC1 ZINC000659405309 954330275 /nfs/dbraw/zinc/33/02/75/954330275.db2.gz GXEUUBOKTMBFHF-MRXNPFEDSA-N -1 0 324.465 3.632 20 0 DHADRM C[C@H]1N(C(=O)NCCCCCC(=O)[O-])c2ccccc2C1(C)C ZINC000659405840 954331776 /nfs/dbraw/zinc/33/17/76/954331776.db2.gz PNBLEZQDXSJEND-CYBMUJFWSA-N -1 0 318.417 3.527 20 0 DHADRM C[C@@H](NC(=O)C1CC2(C1)CCCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767525 954365966 /nfs/dbraw/zinc/36/59/66/954365966.db2.gz QOBXWONRAOHMGG-VHDGCEQUSA-N -1 0 321.461 3.599 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663051861 954424334 /nfs/dbraw/zinc/42/43/34/954424334.db2.gz GDZJYGNKYXVDNL-SMDDNHRTSA-N -1 0 317.385 3.665 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663096139 954478589 /nfs/dbraw/zinc/47/85/89/954478589.db2.gz GINMRSLLAZROON-SMDDNHRTSA-N -1 0 307.390 3.549 20 0 DHADRM C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000080252534 1013124239 /nfs/dbraw/zinc/12/42/39/1013124239.db2.gz GDSNQCUETKZRRA-DZGCQCFKSA-N -1 0 309.431 3.689 20 0 DHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CC3CCC3)sc2[C@H](C)O1 ZINC001589410703 954513094 /nfs/dbraw/zinc/51/30/94/954513094.db2.gz IEOSIDRFKKKLHM-BDAKNGLRSA-N -1 0 323.414 3.597 20 0 DHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)C3CCCC3)sc2[C@H](C)O1 ZINC001589411601 954518488 /nfs/dbraw/zinc/51/84/88/954518488.db2.gz QYXVSQILXQEOAF-IUCAKERBSA-N -1 0 323.414 3.597 20 0 DHADRM Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)[O-])on2)cc1 ZINC000681680455 954598549 /nfs/dbraw/zinc/59/85/49/954598549.db2.gz IJDWRVUTXZKBGF-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)C1CCC(C)CC1 ZINC001589429307 954642012 /nfs/dbraw/zinc/64/20/12/954642012.db2.gz FMRNHHIJHGZYAR-ORHYLEIMSA-N -1 0 304.390 3.571 20 0 DHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)C1CCC(C)CC1 ZINC001589431015 954649146 /nfs/dbraw/zinc/64/91/46/954649146.db2.gz UXJGIIXRHIIINA-YIZWMMSDSA-N -1 0 304.390 3.571 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001603000702 972041055 /nfs/dbraw/zinc/04/10/55/972041055.db2.gz XLCNNESLEXIIFJ-OCCSQVGLSA-N -1 0 304.390 3.721 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001589463642 954876339 /nfs/dbraw/zinc/87/63/39/954876339.db2.gz GXGKWSYNZNJPKR-CZUORRHYSA-N -1 0 305.418 3.677 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001589463641 954877111 /nfs/dbraw/zinc/87/71/11/954877111.db2.gz GXGKWSYNZNJPKR-CJNGLKHVSA-N -1 0 305.418 3.677 20 0 DHADRM CC[C@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccc(C)cc1 ZINC001589464781 954893417 /nfs/dbraw/zinc/89/34/17/954893417.db2.gz XZTLFUYBZUINAZ-CYBMUJFWSA-N -1 0 312.369 3.611 20 0 DHADRM CC[C@@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccc(C)cc1 ZINC001589464782 954893614 /nfs/dbraw/zinc/89/36/14/954893614.db2.gz XZTLFUYBZUINAZ-ZDUSSCGKSA-N -1 0 312.369 3.611 20 0 DHADRM CC[C@@H](C)c1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001589465171 954899480 /nfs/dbraw/zinc/89/94/80/954899480.db2.gz YAEKRDHSFFXFEK-GFCCVEGCSA-N -1 0 313.353 3.650 20 0 DHADRM CC[C@@H](C)n1ncc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1C ZINC001589465346 954900794 /nfs/dbraw/zinc/90/07/94/954900794.db2.gz QZLWKGJLFHRADT-GFCCVEGCSA-N -1 0 321.421 3.526 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001589477665 954962767 /nfs/dbraw/zinc/96/27/67/954962767.db2.gz LWOJTAXJRDWUTB-MQMHXKEQSA-N -1 0 323.820 3.593 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1csc(C(F)(F)F)c1 ZINC001589481353 954978456 /nfs/dbraw/zinc/97/84/56/954978456.db2.gz VUSOYYMVZQOSHF-UHFFFAOYSA-N -1 0 324.320 3.701 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001589481341 954978487 /nfs/dbraw/zinc/97/84/87/954978487.db2.gz VMYYUHLMUSRRQV-CQSZACIVSA-N -1 0 320.385 3.723 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001589514009 955055634 /nfs/dbraw/zinc/05/56/34/955055634.db2.gz AAEFVAYVXJQQKZ-BMFZPTHFSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc3ccsc32)C1 ZINC000386672412 972072772 /nfs/dbraw/zinc/07/27/72/972072772.db2.gz VOCNWFJURQVKIU-RYUDHWBXSA-N -1 0 303.383 3.731 20 0 DHADRM CC[C@@H](CNC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001589546707 955204016 /nfs/dbraw/zinc/20/40/16/955204016.db2.gz PQKUKPATZJQOML-ZDUSSCGKSA-N -1 0 303.402 3.575 20 0 DHADRM C/C(=C\C(=O)NCCCCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000767129870 955319222 /nfs/dbraw/zinc/31/92/22/955319222.db2.gz LCQRQDNSAKXTRD-AWNIVKPZSA-N -1 0 319.445 3.520 20 0 DHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001589008304 955380678 /nfs/dbraw/zinc/38/06/78/955380678.db2.gz WKIWXCKGWDAQRD-HIFRSBDPSA-N -1 0 319.445 3.606 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589014125 955416372 /nfs/dbraw/zinc/41/63/72/955416372.db2.gz KHVZSXHCXNHBBI-KUHUBIRLSA-N -1 0 319.445 3.608 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1cscc1Cl)CC(=O)[O-] ZINC001603041592 972102423 /nfs/dbraw/zinc/10/24/23/972102423.db2.gz KFYKODILUKLIHX-VIFPVBQESA-N -1 0 318.826 3.660 20 0 DHADRM CC(C)Cc1ccccc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603054015 972117977 /nfs/dbraw/zinc/11/79/77/972117977.db2.gz GWBQAIHDHIOLIS-UHFFFAOYSA-N -1 0 313.353 3.541 20 0 DHADRM CCc1ccc([C@@H](NC(=O)C[C@H](C)CC(=O)[O-])C(C)C)cc1 ZINC000387410256 972122112 /nfs/dbraw/zinc/12/21/12/972122112.db2.gz DDCFVNRRGSVRSS-UGSOOPFHSA-N -1 0 305.418 3.563 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000852941625 955855143 /nfs/dbraw/zinc/85/51/43/955855143.db2.gz RUZDNJLWBQQBME-MSOLQXFVSA-N -1 0 323.392 3.585 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000852939554 955855516 /nfs/dbraw/zinc/85/55/16/955855516.db2.gz STEYWUAZJRXZAO-ZWKOTPCHSA-N -1 0 323.392 3.585 20 0 DHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001589098598 955995469 /nfs/dbraw/zinc/99/54/69/955995469.db2.gz WGYRFJBOZAILRH-CYBMUJFWSA-N -1 0 323.392 3.682 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000872957707 956064397 /nfs/dbraw/zinc/06/43/97/956064397.db2.gz RIQVIKDJNCUJIO-NJWFCXLTSA-N -1 0 315.413 3.726 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001603087673 972161799 /nfs/dbraw/zinc/16/17/99/972161799.db2.gz GFDPHZRAUAVPAK-LLVKDONJSA-N -1 0 322.430 3.657 20 0 DHADRM Cc1cc(CNc2cccc(CC(=O)[O-])c2)c2c(n1)CCCC2 ZINC000900036228 956293516 /nfs/dbraw/zinc/29/35/16/956293516.db2.gz VYTHCFVAOMLWGH-UHFFFAOYSA-N -1 0 310.397 3.508 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccc(C(F)F)nc2)c1 ZINC000901554939 956340248 /nfs/dbraw/zinc/34/02/48/956340248.db2.gz IXOCNXXURLNMEC-UHFFFAOYSA-N -1 0 306.312 3.649 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901719776 956439062 /nfs/dbraw/zinc/43/90/62/956439062.db2.gz HEIAMKJPYPJWNX-HZPDHXFCSA-N -1 0 309.365 3.711 20 0 DHADRM C[C@H](S[C@@H](C)c1nnc(-c2ccccc2F)s1)C(=O)[O-] ZINC001589168481 956442797 /nfs/dbraw/zinc/44/27/97/956442797.db2.gz FBHPWSDSMMCLQI-YUMQZZPRSA-N -1 0 312.391 3.612 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001589168703 956446366 /nfs/dbraw/zinc/44/63/66/956446366.db2.gz MHEXDOTXHRPINV-RQJHMYQMSA-N -1 0 322.213 3.527 20 0 DHADRM C[C@H](SCCC(=O)[O-])c1nnc(-c2cccc(Cl)c2)o1 ZINC001589170036 956468930 /nfs/dbraw/zinc/46/89/30/956468930.db2.gz XFBSWOTZSDDGAF-QMMMGPOBSA-N -1 0 312.778 3.659 20 0 DHADRM Nc1c(Cl)cccc1CNc1cccc(CCC(=O)[O-])c1 ZINC001594663438 956552846 /nfs/dbraw/zinc/55/28/46/956552846.db2.gz TWFGABYFEHYIDB-UHFFFAOYSA-N -1 0 304.777 3.552 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902076076 956642689 /nfs/dbraw/zinc/64/26/89/956642689.db2.gz DZOSEXXQQADHLA-CMDGGOBGSA-N -1 0 307.390 3.666 20 0 DHADRM C[C@H](CCC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000902367698 956710661 /nfs/dbraw/zinc/71/06/61/956710661.db2.gz DRKXADXAXFSSNP-CQSZACIVSA-N -1 0 311.381 3.585 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)CCc1ccc(Cl)cc1 ZINC001594687566 956719045 /nfs/dbraw/zinc/71/90/45/956719045.db2.gz FOTSJAIMPKKDDR-UHFFFAOYSA-N -1 0 309.774 3.671 20 0 DHADRM CC1(C)CN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@H]1c1ccco1 ZINC001589229349 956814219 /nfs/dbraw/zinc/81/42/19/956814219.db2.gz CYAMGMGSRHHMSK-AWEZNQCLSA-N -1 0 314.341 3.593 20 0 DHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000013062602 956922379 /nfs/dbraw/zinc/92/23/79/956922379.db2.gz UUKKPHMXJDCSPT-LBPRGKRZSA-N -1 0 315.394 3.645 20 0 DHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1 ZINC000013166055 956946502 /nfs/dbraw/zinc/94/65/02/956946502.db2.gz XDANKYAJJHHQOQ-SNVBAGLBSA-N -1 0 315.394 3.823 20 0 DHADRM Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166795 956948909 /nfs/dbraw/zinc/94/89/09/956948909.db2.gz SWYIXHQIXIHUJR-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1ccsc1 ZINC000013171380 956954307 /nfs/dbraw/zinc/95/43/07/956954307.db2.gz YZRULXCUQVBTBW-UHFFFAOYSA-N -1 0 311.362 3.781 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2C)cc1 ZINC000013178756 956960551 /nfs/dbraw/zinc/96/05/51/956960551.db2.gz PWSXSEOTRZFQRM-KRWDZBQOSA-N -1 0 311.381 3.558 20 0 DHADRM O=C([O-])C1(NC(=O)c2ccc(-c3cccs3)s2)CCCC1 ZINC001594719812 956965090 /nfs/dbraw/zinc/96/50/90/956965090.db2.gz DLCGZTZAGFLIFN-UHFFFAOYSA-N -1 0 321.423 3.604 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)CCc1ccccc1F ZINC000013188344 956973890 /nfs/dbraw/zinc/97/38/90/956973890.db2.gz CRTNPTZDEJECDV-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1OCCOc1c(C)cccc1C ZINC000013248783 956991286 /nfs/dbraw/zinc/99/12/86/956991286.db2.gz HRLLPXBGXPGLPY-UHFFFAOYSA-N -1 0 300.354 3.768 20 0 DHADRM CC1=C(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)CCC1 ZINC001589256840 957004386 /nfs/dbraw/zinc/00/43/86/957004386.db2.gz YJUDMEUCYSEHEN-CQSZACIVSA-N -1 0 313.397 3.557 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])s1 ZINC000909495915 957023085 /nfs/dbraw/zinc/02/30/85/957023085.db2.gz AUCVICOWCMCVGQ-NSHDSACASA-N -1 0 309.431 3.515 20 0 DHADRM CCCOc1ccc(OCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000013418686 957058333 /nfs/dbraw/zinc/05/83/33/957058333.db2.gz YFVQADTXNPMULX-UHFFFAOYSA-N -1 0 316.353 3.631 20 0 DHADRM CN(C(=O)Cc1cccc2ccccc21)c1ccccc1C(=O)[O-] ZINC000013440925 957078789 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ZINC000037453768 957300101 /nfs/dbraw/zinc/30/01/01/957300101.db2.gz LVIBZMJCYRSIIM-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000037792989 957327999 /nfs/dbraw/zinc/32/79/99/957327999.db2.gz SNMIQOPXGLTWIM-UHFFFAOYSA-N -1 0 303.330 3.585 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000037918871 957336113 /nfs/dbraw/zinc/33/61/13/957336113.db2.gz VGUOSWLAWZMMAY-UHFFFAOYSA-N -1 0 307.752 3.809 20 0 DHADRM O=C([O-])CCCCCCNC(=O)Nc1cc(Cl)ccc1F ZINC000040574279 957377251 /nfs/dbraw/zinc/37/72/51/957377251.db2.gz ATLKQLZXTLLKEU-UHFFFAOYSA-N -1 0 316.760 3.636 20 0 DHADRM CCCCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])C1CC1 ZINC000048996565 957471488 /nfs/dbraw/zinc/47/14/88/957471488.db2.gz KDQXWYPVMKAOMO-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM C[C@@H](Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC000049526957 957478696 /nfs/dbraw/zinc/47/86/96/957478696.db2.gz QONWSRWQKYSSDI-SECBINFHSA-N -1 0 321.174 3.715 20 0 DHADRM CC(C)CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050200773 957484766 /nfs/dbraw/zinc/48/47/66/957484766.db2.gz HWXOPMSKWVUHSZ-UHFFFAOYSA-N -1 0 314.179 3.522 20 0 DHADRM Cc1cc(NC(=O)CCc2cccc(C)c2)sc1C(=O)[O-] ZINC000051966973 957509095 /nfs/dbraw/zinc/50/90/95/957509095.db2.gz DCJGDHUKHCZKPL-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055150071 957543489 /nfs/dbraw/zinc/54/34/89/957543489.db2.gz KQPWCQOHPBFUEE-LBPRGKRZSA-N -1 0 317.385 3.809 20 0 DHADRM CSc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000057351681 957551195 /nfs/dbraw/zinc/55/11/95/957551195.db2.gz HMVPVMRYKAICBR-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM Cc1nc(Cc2nc(-c3cccc(C(=O)[O-])c3)cs2)cs1 ZINC000062938532 957629071 /nfs/dbraw/zinc/62/90/71/957629071.db2.gz LQVAOYUEMDNKED-UHFFFAOYSA-N -1 0 316.407 3.864 20 0 DHADRM O=C([O-])c1cccc(OC(=O)Cc2cccc3ccccc32)c1 ZINC000066144228 957642061 /nfs/dbraw/zinc/64/20/61/957642061.db2.gz XASUJCIWWCCSQH-UHFFFAOYSA-N -1 0 306.317 3.686 20 0 DHADRM O=C([O-])c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000066144802 957642863 /nfs/dbraw/zinc/64/28/63/957642863.db2.gz ALOUNEYKJZMKTB-UHFFFAOYSA-N -1 0 311.120 3.911 20 0 DHADRM CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000069549895 957651270 /nfs/dbraw/zinc/65/12/70/957651270.db2.gz PNUDUTQDPZFILL-OAHLLOKOSA-N -1 0 313.781 3.555 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000075288436 957742195 /nfs/dbraw/zinc/74/21/95/957742195.db2.gz NVIBYBJHXJMRPI-UHFFFAOYSA-N -1 0 313.397 3.848 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000683310099 1013158630 /nfs/dbraw/zinc/15/86/30/1013158630.db2.gz YWWMFTQEWAPERR-UHFFFAOYSA-N -1 0 309.793 3.508 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)c2ccc(F)cc2C)c1 ZINC001594288348 957796619 /nfs/dbraw/zinc/79/66/19/957796619.db2.gz LIXYOWFVKCQJFG-GFCCVEGCSA-N -1 0 315.344 3.632 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001574807087 957859165 /nfs/dbraw/zinc/85/91/65/957859165.db2.gz FEJFVVOSUYLCRG-QZTJIDSGSA-N -1 0 323.392 3.699 20 0 DHADRM Cc1cc(C)cc(CN(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594298427 957885306 /nfs/dbraw/zinc/88/53/06/957885306.db2.gz NGRHNYYYQYMZLL-UHFFFAOYSA-N -1 0 311.381 3.582 20 0 DHADRM Cc1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC001594303094 957930617 /nfs/dbraw/zinc/93/06/17/957930617.db2.gz JWEFNYVJPYJSFZ-AWEZNQCLSA-N -1 0 316.788 3.622 20 0 DHADRM COc1c(C)ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1C ZINC001594047369 957944079 /nfs/dbraw/zinc/94/40/79/957944079.db2.gz VYVSRDIRZZXDNY-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM COc1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1C ZINC001594055840 958033042 /nfs/dbraw/zinc/03/30/42/958033042.db2.gz BZYKCPLWYQPKOO-MRXNPFEDSA-N -1 0 311.381 3.582 20 0 DHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000091417764 958142547 /nfs/dbraw/zinc/14/25/47/958142547.db2.gz COOYXDFZCGACME-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 ZINC000093432272 958244985 /nfs/dbraw/zinc/24/49/85/958244985.db2.gz SXORKFDBCYKOGF-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N(C)CCC(=O)[O-])c2)o1 ZINC001594333978 958250335 /nfs/dbraw/zinc/25/03/35/958250335.db2.gz IKUMZASGEODXOC-UHFFFAOYSA-N -1 0 316.357 3.502 20 0 DHADRM Cc1ccc(-c2csc(CN3CCC[C@@]3(C)C(=O)[O-])n2)cc1 ZINC001594335878 958265769 /nfs/dbraw/zinc/26/57/69/958265769.db2.gz QFOZJZFTUPVOPB-KRWDZBQOSA-N -1 0 316.426 3.558 20 0 DHADRM Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC001594346096 958321330 /nfs/dbraw/zinc/32/13/30/958321330.db2.gz FTLFRQSHVIQHJX-UHFFFAOYSA-N -1 0 311.381 3.521 20 0 DHADRM Cc1ccc(C(=O)NCCCCCC(=O)[O-])c(Cl)c1Cl ZINC001594347053 958325586 /nfs/dbraw/zinc/32/55/86/958325586.db2.gz RTJVSSGYWUPTDE-UHFFFAOYSA-N -1 0 318.200 3.677 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001594363207 958471835 /nfs/dbraw/zinc/47/18/35/958471835.db2.gz MNEOCKSYDTTYLF-UHFFFAOYSA-N -1 0 303.745 3.623 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594363402 958473765 /nfs/dbraw/zinc/47/37/65/958473765.db2.gz VUCBNIXHKHTOAB-QPJJXVBHSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(Cl)c1C ZINC001594370677 958542191 /nfs/dbraw/zinc/54/21/91/958542191.db2.gz HZCSSJGJZCMEFX-LBPRGKRZSA-N -1 0 324.808 3.675 20 0 DHADRM C=COc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001588474981 958560712 /nfs/dbraw/zinc/56/07/12/958560712.db2.gz QQLZTKYXJMQJIZ-CQSZACIVSA-N -1 0 320.389 3.610 20 0 DHADRM Cc1ccc(OC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001594375141 958580682 /nfs/dbraw/zinc/58/06/82/958580682.db2.gz XJSCRFURXPXQMW-SNAWJCMRSA-N -1 0 306.701 3.558 20 0 DHADRM C/C(=C/C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1C ZINC001588481694 958596455 /nfs/dbraw/zinc/59/64/55/958596455.db2.gz ZCHMCHCTZFPUFZ-UGEDRFTOSA-N -1 0 315.413 3.644 20 0 DHADRM C/C(=C/C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1C ZINC001588481689 958596921 /nfs/dbraw/zinc/59/69/21/958596921.db2.gz ZCHMCHCTZFPUFZ-KGAUPUERSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC001573374486 958649200 /nfs/dbraw/zinc/64/92/00/958649200.db2.gz KMUKYDOQLJRWFT-YUMQZZPRSA-N -1 0 322.304 3.623 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCc1cccc(F)c1F ZINC001594387272 958687291 /nfs/dbraw/zinc/68/72/91/958687291.db2.gz BIQPXVQAMMPAEZ-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573389788 958687647 /nfs/dbraw/zinc/68/76/47/958687647.db2.gz GHRMICXIKMLIPG-ZIAGYGMSSA-N -1 0 319.405 3.506 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1csc(CC(C)C)n1 ZINC001594391028 958718904 /nfs/dbraw/zinc/71/89/04/958718904.db2.gz OVTZVTOPIWVJBF-UHFFFAOYSA-N -1 0 318.398 3.601 20 0 DHADRM Cc1csc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1Cl ZINC001594399426 958830600 /nfs/dbraw/zinc/83/06/00/958830600.db2.gz OUAUHTDPAPWGCP-GFCCVEGCSA-N -1 0 323.801 3.574 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594404250 958882921 /nfs/dbraw/zinc/88/29/21/958882921.db2.gz XMQRMXFMIMUYBE-INIZCTEOSA-N -1 0 308.761 3.503 20 0 DHADRM Cc1cccc(CN(CC(C)C)C(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001594404333 958885665 /nfs/dbraw/zinc/88/56/65/958885665.db2.gz NAJCQWSSYRNVOV-UHFFFAOYSA-N -1 0 317.429 3.625 20 0 DHADRM Cc1cccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1Cl ZINC001594408105 958919135 /nfs/dbraw/zinc/91/91/35/958919135.db2.gz AIXVSHDXKAOHMG-SOFGYWHQSA-N -1 0 306.701 3.558 20 0 DHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001573467506 958937839 /nfs/dbraw/zinc/93/78/39/958937839.db2.gz GYRUIVHBDRDYTJ-UHFFFAOYSA-N -1 0 321.373 3.537 20 0 DHADRM CC(C)(CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001573474942 958960784 /nfs/dbraw/zinc/96/07/84/958960784.db2.gz SKHAXJFRPSFQFY-PKNBQFBNSA-N -1 0 319.401 3.714 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594415471 958994738 /nfs/dbraw/zinc/99/47/38/958994738.db2.gz GHXJKQAVQRUKTO-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2cncc(C(=O)[O-])c2)CCCC1 ZINC001594417321 959019001 /nfs/dbraw/zinc/01/90/01/959019001.db2.gz ZEKWCYQBWJGWIX-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@@H]1CCCc2ccc(Cl)cc21 ZINC001573490596 959021483 /nfs/dbraw/zinc/02/14/83/959021483.db2.gz YIEBJDMALQVTPB-ZIAGYGMSSA-N -1 0 310.777 3.617 20 0 DHADRM Cc1ccn(-c2ccc(NCc3ccc(C(=O)[O-])s3)cc2)n1 ZINC001594421058 959068632 /nfs/dbraw/zinc/06/86/32/959068632.db2.gz AZCGVTUJYFNBNY-UHFFFAOYSA-N -1 0 313.382 3.553 20 0 DHADRM Cc1ccnc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1C1CC1 ZINC001594424190 959095464 /nfs/dbraw/zinc/09/54/64/959095464.db2.gz FAYIPCWTYZYRRN-UHFFFAOYSA-N -1 0 316.401 3.631 20 0 DHADRM CC(C)CC1(C(=O)NCc2ccccc2C(=O)[O-])CCCC1 ZINC001573517046 959107478 /nfs/dbraw/zinc/10/74/78/959107478.db2.gz PXTWBCBYMUWADG-UHFFFAOYSA-N -1 0 303.402 3.608 20 0 DHADRM CC(C)CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC001573517791 959112780 /nfs/dbraw/zinc/11/27/80/959112780.db2.gz GUHMNWNMSSKSHK-SFHVURJKSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2occc2c1)CC(=O)[O-] ZINC001573536548 959171922 /nfs/dbraw/zinc/17/19/22/959171922.db2.gz KZVDGPOITYUVQR-LBPRGKRZSA-N -1 0 318.373 3.691 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC001573566265 959288244 /nfs/dbraw/zinc/28/82/44/959288244.db2.gz HNUGMONXVZDAOM-CQSZACIVSA-N -1 0 321.417 3.525 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])c2c1 ZINC001573566539 959291206 /nfs/dbraw/zinc/29/12/06/959291206.db2.gz IXTKRJFAVRDQNW-IAQYHMDHSA-N -1 0 315.369 3.634 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573567059 959294000 /nfs/dbraw/zinc/29/40/00/959294000.db2.gz RMRAOUVEBODNPF-JKSUJKDBSA-N -1 0 315.413 3.590 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180013233 959434858 /nfs/dbraw/zinc/43/48/58/959434858.db2.gz GWWXRXBKSZJQBZ-CHWSQXEVSA-N -1 0 319.401 3.693 20 0 DHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190644469 959516234 /nfs/dbraw/zinc/51/62/34/959516234.db2.gz WLHJDZOXEJMENS-INIZCTEOSA-N -1 0 317.429 3.940 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(Cl)c(F)c1 ZINC000191181629 959543262 /nfs/dbraw/zinc/54/32/62/959543262.db2.gz FWUKPBJFQYRYNI-UHFFFAOYSA-N -1 0 315.772 3.634 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191418149 959564189 /nfs/dbraw/zinc/56/41/89/959564189.db2.gz DGJMBRZCHKMPHY-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191430338 959565789 /nfs/dbraw/zinc/56/57/89/959565789.db2.gz RWUJXLFKEVKGKG-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM Cc1ccc(F)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191431087 959566132 /nfs/dbraw/zinc/56/61/32/959566132.db2.gz YQUBVERIEOFHKN-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001588636243 959664237 /nfs/dbraw/zinc/66/42/37/959664237.db2.gz ZKWJOQJFUKWXNU-RDBSUJKOSA-N -1 0 311.466 3.702 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Cl)cc1Cl ZINC001588640743 959688478 /nfs/dbraw/zinc/68/84/78/959688478.db2.gz MMKPHKCSKNVTSP-JTQLQIEISA-N -1 0 305.157 3.646 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC001573667291 959701611 /nfs/dbraw/zinc/70/16/11/959701611.db2.gz FDGVCFPATWATHZ-AWEZNQCLSA-N -1 0 317.719 3.717 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC001588642543 959704325 /nfs/dbraw/zinc/70/43/25/959704325.db2.gz GGMIZMIQWJYEIB-RBSFLKMASA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC001573667875 959712218 /nfs/dbraw/zinc/71/22/18/959712218.db2.gz ZAGQPRRIGFCOGS-CABCVRRESA-N -1 0 317.429 3.662 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594262676 959712799 /nfs/dbraw/zinc/71/27/99/959712799.db2.gz QYCCIGBIZKRAGK-UHFFFAOYSA-N -1 0 309.793 3.724 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C(=O)[O-] ZINC001588646241 959736867 /nfs/dbraw/zinc/73/68/67/959736867.db2.gz UINZJIWHNLUYFU-KFWWJZLASA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc2cc[nH]c21)C(=O)[O-] ZINC001588650253 959756693 /nfs/dbraw/zinc/75/66/93/959756693.db2.gz DVYNSRRRSYXILS-CYBMUJFWSA-N -1 0 317.389 3.569 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588651920 959776612 /nfs/dbraw/zinc/77/66/12/959776612.db2.gz ZIWXHZCBMJHQOE-SFHVURJKSA-N -1 0 305.418 3.709 20 0 DHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c(C)c1 ZINC000048576130 1013194574 /nfs/dbraw/zinc/19/45/74/1013194574.db2.gz UZRINSMJEFKMFL-UHFFFAOYSA-N -1 0 323.801 3.650 20 0 DHADRM CSc1ccc(C)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001574257536 960543235 /nfs/dbraw/zinc/54/32/35/960543235.db2.gz NMSXZBBUJPIJPA-YVMONPNESA-N -1 0 317.366 3.660 20 0 DHADRM Cc1ccc(-c2ccc(S(=O)(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC001243196292 960636900 /nfs/dbraw/zinc/63/69/00/960636900.db2.gz FXEXGZWIOXAESP-UHFFFAOYSA-N -1 0 318.394 3.542 20 0 DHADRM CC[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573776317 960685354 /nfs/dbraw/zinc/68/53/54/960685354.db2.gz MFBUOBLPEDRTRE-UGSOOPFHSA-N -1 0 305.418 3.565 20 0 DHADRM Cc1c(Cl)cccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574297821 960704808 /nfs/dbraw/zinc/70/48/08/960704808.db2.gz HUPJRIAZQMHVCF-CYBMUJFWSA-N -1 0 311.809 3.658 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1CCCC1 ZINC000236621928 960717613 /nfs/dbraw/zinc/71/76/13/960717613.db2.gz DRIWVFUUWDADFO-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC001573785371 960735017 /nfs/dbraw/zinc/73/50/17/960735017.db2.gz RFHSEKFBTRBBIA-UHFFFAOYSA-N -1 0 324.377 3.573 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(CC(C)C)s1)C(=O)[O-] ZINC001573788177 960740012 /nfs/dbraw/zinc/74/00/12/960740012.db2.gz NNBPUNKEZZCNNH-UHFFFAOYSA-N -1 0 311.447 3.567 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)C(C)(C)C ZINC001261627200 960750720 /nfs/dbraw/zinc/75/07/20/960750720.db2.gz QNFBTDWVJFNBEI-WVUXNXBLSA-N -1 0 303.402 3.619 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC000236752064 960751923 /nfs/dbraw/zinc/75/19/23/960751923.db2.gz IHHMUBUBNSCCDP-SMDDNHRTSA-N -1 0 305.349 3.701 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC000236818233 960765426 /nfs/dbraw/zinc/76/54/26/960765426.db2.gz SGOGBMZHXPWNCR-GDBMZVCRSA-N -1 0 305.418 3.638 20 0 DHADRM CC[C@@H](CNC(=O)C1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC001573794945 960766998 /nfs/dbraw/zinc/76/69/98/960766998.db2.gz ICEHZKUWCRLECW-HNNXBMFYSA-N -1 0 317.429 3.506 20 0 DHADRM CCCSCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000236837235 960769282 /nfs/dbraw/zinc/76/92/82/960769282.db2.gz AGSPINQQAFHQAJ-UHFFFAOYSA-N -1 0 303.383 3.620 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCCC[C@@H]2C(C)C)c1 ZINC001574315430 960780541 /nfs/dbraw/zinc/78/05/41/960780541.db2.gz MPJNQVUPOAAKDM-MRXNPFEDSA-N -1 0 303.402 3.734 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000659235849 1013200698 /nfs/dbraw/zinc/20/06/98/1013200698.db2.gz DMSFJOGGSVWTOJ-VVFCZOMOSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1cccc(Cl)c1 ZINC000155090715 1013201711 /nfs/dbraw/zinc/20/17/11/1013201711.db2.gz JOPIVYKJTWFBRF-UHFFFAOYSA-N -1 0 309.715 3.618 20 0 DHADRM CCc1ccc([C@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)C)cc1 ZINC000236997490 960830891 /nfs/dbraw/zinc/83/08/91/960830891.db2.gz RHBSOPQYNAPFCD-GOSISDBHSA-N -1 0 319.445 3.953 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C)C(=O)[O-] ZINC001573803791 960835422 /nfs/dbraw/zinc/83/54/22/960835422.db2.gz HDJMVLXOFUEJNT-VXGBXAGGSA-N -1 0 318.417 3.704 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)ccc1C(=O)[O-] ZINC001574337695 960909874 /nfs/dbraw/zinc/90/98/74/960909874.db2.gz DXIVSJMTZULCLB-ZDUSSCGKSA-N -1 0 316.401 3.737 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C3CCCC3)C2)ccc1C(=O)[O-] ZINC001574338035 960918785 /nfs/dbraw/zinc/91/87/85/960918785.db2.gz WFFJWKNDTJNXHT-AWEZNQCLSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccccc1)C(=O)[O-] ZINC000237384800 960925342 /nfs/dbraw/zinc/92/53/42/960925342.db2.gz IKMVWHCDJYYHEJ-LLVKDONJSA-N -1 0 301.367 3.504 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237491804 960945786 /nfs/dbraw/zinc/94/57/86/960945786.db2.gz RJELNBCYIBROMS-ZDUSSCGKSA-N -1 0 303.402 3.608 20 0 DHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000237498520 960948083 /nfs/dbraw/zinc/94/80/83/960948083.db2.gz FXKCCUDHHQYGFK-CQSZACIVSA-N -1 0 317.429 3.950 20 0 DHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(C(=O)[O-])cc3C)c21 ZINC001319533827 960949560 /nfs/dbraw/zinc/94/95/60/960949560.db2.gz FJMPQIQEVLHDRM-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319845310 960957988 /nfs/dbraw/zinc/95/79/88/960957988.db2.gz CLGXNCXXGJWWQX-STQMWFEESA-N -1 0 315.394 3.805 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319845307 960958212 /nfs/dbraw/zinc/95/82/12/960958212.db2.gz CLGXNCXXGJWWQX-CHWSQXEVSA-N -1 0 315.394 3.805 20 0 DHADRM CCC1(CC)CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c2ccccc21 ZINC001573829057 960995487 /nfs/dbraw/zinc/99/54/87/960995487.db2.gz NUKWVGCQXDHAFQ-LJQANCHMSA-N -1 0 315.413 3.592 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001324965992 961047931 /nfs/dbraw/zinc/04/79/31/961047931.db2.gz BDHLFRFQKLTYCF-GDBMZVCRSA-N -1 0 323.477 3.942 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)s1 ZINC000237979362 961063526 /nfs/dbraw/zinc/06/35/26/961063526.db2.gz YLWNWFFEPLJTLQ-LBPRGKRZSA-N -1 0 307.415 3.631 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001573840655 961067913 /nfs/dbraw/zinc/06/79/13/961067913.db2.gz JHTWTGFXIHYHDQ-LBPRGKRZSA-N -1 0 317.389 3.578 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573840701 961069775 /nfs/dbraw/zinc/06/97/75/961069775.db2.gz HECGBVPNYHHODJ-TZMCWYRMSA-N -1 0 319.405 3.508 20 0 DHADRM CCCC[C@@](C)(F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573841579 961084737 /nfs/dbraw/zinc/08/47/37/961084737.db2.gz XIXKREPVOQGFDR-QGZVFWFLSA-N -1 0 307.365 3.582 20 0 DHADRM CC(C)[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000037793781 1013225943 /nfs/dbraw/zinc/22/59/43/1013225943.db2.gz POIUOUNOKRQPBT-INIZCTEOSA-N -1 0 311.809 3.798 20 0 DHADRM O=C([O-])CCCCCCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000238112983 961102409 /nfs/dbraw/zinc/10/24/09/961102409.db2.gz PTSSBSFFJJGDTD-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM Cc1ccc2sc(N3CCC[C@H](CC(=O)[O-])C3)nc2c1C ZINC001574383187 961124346 /nfs/dbraw/zinc/12/43/46/961124346.db2.gz DHGGSEYVXKUYHN-GFCCVEGCSA-N -1 0 304.415 3.604 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c2)c1 ZINC001574384427 961126521 /nfs/dbraw/zinc/12/65/21/961126521.db2.gz MTDPTPBWEJYZLB-KRWDZBQOSA-N -1 0 311.381 3.501 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)/C=C\SCc1ccco1 ZINC001574389869 961162622 /nfs/dbraw/zinc/16/26/22/961162622.db2.gz UKLCMAJJEFONOP-CLFYSBASSA-N -1 0 317.366 3.672 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCCCC2)s1 ZINC001588739840 961162886 /nfs/dbraw/zinc/16/28/86/961162886.db2.gz XULRVPCGMIYOAD-UHFFFAOYSA-N -1 0 323.458 3.697 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001327786679 961180639 /nfs/dbraw/zinc/18/06/39/961180639.db2.gz DGUKFGAEGDHIFM-BBRMVZONSA-N -1 0 323.339 3.847 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001328494342 961209851 /nfs/dbraw/zinc/20/98/51/961209851.db2.gz ONCHBXPXGBNLFB-QWRGUYRKSA-N -1 0 324.446 3.625 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC001573874488 961231818 /nfs/dbraw/zinc/23/18/18/961231818.db2.gz QZCWGQWPPLOYDF-BBRMVZONSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1ccccc1C(F)(F)CNCc1cccc(C(=O)[O-])c1 ZINC001574402062 961238322 /nfs/dbraw/zinc/23/83/22/961238322.db2.gz SNLYHBRUTNYQDM-UHFFFAOYSA-N -1 0 305.324 3.575 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCC(C)(C)C(=O)[O-] ZINC001574402831 961246962 /nfs/dbraw/zinc/24/69/62/961246962.db2.gz MENXWHSVDJOWOH-KGLIPLIRSA-N -1 0 317.429 3.593 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001573883917 961303636 /nfs/dbraw/zinc/30/36/36/961303636.db2.gz XBOZWGFYXXJMHI-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)(NC(=O)Nc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC001588789266 961356337 /nfs/dbraw/zinc/35/63/37/961356337.db2.gz MNGXMEQPQXEEGL-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000261742338 961390879 /nfs/dbraw/zinc/39/08/79/961390879.db2.gz OAYBHIKTTONKIN-MRXNPFEDSA-N -1 0 309.365 3.752 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000261920846 961400345 /nfs/dbraw/zinc/40/03/45/961400345.db2.gz IXPASTYLLMPFCD-UHFFFAOYSA-N -1 0 318.398 3.663 20 0 DHADRM CCc1oc(CN[C@@H](c2ncc(C)s2)C2CC2)cc1C(=O)[O-] ZINC001331943188 961421444 /nfs/dbraw/zinc/42/14/44/961421444.db2.gz IPROZJREKOCRKD-CQSZACIVSA-N -1 0 320.414 3.546 20 0 DHADRM CC(C)(C)CCC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262106033 961464202 /nfs/dbraw/zinc/46/42/02/961464202.db2.gz DBKCSMKTQXGDQU-UHFFFAOYSA-N -1 0 305.418 3.706 20 0 DHADRM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262221778 961567451 /nfs/dbraw/zinc/56/74/51/961567451.db2.gz ZEQBYVVDNBJQOF-STQMWFEESA-N -1 0 323.820 3.547 20 0 DHADRM CC(C)[C@H](CNC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588821018 961616065 /nfs/dbraw/zinc/61/60/65/961616065.db2.gz MHSWEYFWUJMKSJ-NRXISQOPSA-N -1 0 311.466 3.702 20 0 DHADRM CN(CCC1CCCCC1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262360357 961669356 /nfs/dbraw/zinc/66/93/56/961669356.db2.gz ILRVZJIWYJLSLZ-UHFFFAOYSA-N -1 0 307.365 3.566 20 0 DHADRM CCc1ccc(CN(C(=O)C(CC)(CC)C(=O)[O-])C2CC2)cc1 ZINC001573956971 961675397 /nfs/dbraw/zinc/67/53/97/961675397.db2.gz SGERXLLCFOLHRC-UHFFFAOYSA-N -1 0 317.429 3.631 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@H]2CCC[C@@H](F)C2)cccc1C(=O)[O-] ZINC001333383746 961709059 /nfs/dbraw/zinc/70/90/59/961709059.db2.gz PDXHOMQPCBIOLK-NWDGAFQWSA-N -1 0 323.364 3.639 20 0 DHADRM CC(C)c1ocnc1CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001333570917 961720124 /nfs/dbraw/zinc/72/01/24/961720124.db2.gz CMYRCELMCQOESD-HOTGVXAUSA-N -1 0 314.385 3.588 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC000262435469 961720231 /nfs/dbraw/zinc/72/02/31/961720231.db2.gz TVHHYALTNDSBAW-LLVKDONJSA-N -1 0 303.383 3.508 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(C2CC2)c1 ZINC001333944661 961735638 /nfs/dbraw/zinc/73/56/38/961735638.db2.gz ISOJPWGVFBMPSH-UHFFFAOYSA-N -1 0 309.365 3.752 20 0 DHADRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC001334005682 961737464 /nfs/dbraw/zinc/73/74/64/961737464.db2.gz OAGCMGKSXKVXNU-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001573983612 961783169 /nfs/dbraw/zinc/78/31/69/961783169.db2.gz WFWAZHXSDWKUDJ-MATWNZDUSA-N -1 0 319.401 3.664 20 0 DHADRM C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262718615 961825623 /nfs/dbraw/zinc/82/56/23/961825623.db2.gz DKIPYIAZGAJDSA-PZSREKOKSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1CCC(F)(F)CC1 ZINC000262777744 961861985 /nfs/dbraw/zinc/86/19/85/961861985.db2.gz LYIBAXFTPLVIKF-UHFFFAOYSA-N -1 0 311.328 3.766 20 0 DHADRM O=C([O-])C1(NC(=O)CCCc2ccccc2Cl)CCCCC1 ZINC001574524614 961872087 /nfs/dbraw/zinc/87/20/87/961872087.db2.gz VQYLCEMTTAOWHN-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM O=C([O-])c1cccnc1NC(=O)CCc1ccc2ccccc2c1 ZINC001574525057 961875128 /nfs/dbraw/zinc/87/51/28/961875128.db2.gz DUPHINZMZQUVKX-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM C[C@H]1CCN(C(=O)CCCCCc2cccs2)[C@H](C(=O)[O-])C1 ZINC000262859254 961924112 /nfs/dbraw/zinc/92/41/12/961924112.db2.gz AOHFYTQGSSISLU-ZFWWWQNUSA-N -1 0 323.458 3.563 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588867426 962023356 /nfs/dbraw/zinc/02/33/56/962023356.db2.gz IFAAVNDHMWRVCR-XJKSGUPXSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)Sc1ccc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000659239097 1013310033 /nfs/dbraw/zinc/31/00/33/1013310033.db2.gz RLIAMNXUZCYYBY-PBHICJAKSA-N -1 0 321.442 3.560 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588872366 962093908 /nfs/dbraw/zinc/09/39/08/962093908.db2.gz KWBXPPMGUQHCAL-ZBFHGGJFSA-N -1 0 318.417 3.650 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2c2nc(C(=O)[O-])co2)o1 ZINC000519407583 1013316678 /nfs/dbraw/zinc/31/66/78/1013316678.db2.gz PVKOUWRKBLPIEW-MFKMUULPSA-N -1 0 304.346 3.506 20 0 DHADRM O=C([O-])[C@H](C(=O)OCc1cccc(C(F)F)c1)C1CCCC1 ZINC001574620507 962240217 /nfs/dbraw/zinc/24/02/17/962240217.db2.gz BSGUWNYNXWIPTO-CYBMUJFWSA-N -1 0 312.312 3.558 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000263099083 962248053 /nfs/dbraw/zinc/24/80/53/962248053.db2.gz OAWOHOOCFCCISF-ZDUSSCGKSA-N -1 0 307.390 3.686 20 0 DHADRM CC(C)C[C@H](NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001588899674 962252266 /nfs/dbraw/zinc/25/22/66/962252266.db2.gz UDTCCMJAFGNZEC-QWIXOLKHSA-N -1 0 309.450 3.621 20 0 DHADRM O=C([O-])[C@H](C(=O)Oc1ccc2oc3ccccc3c2c1)C1CC1 ZINC001574622307 962258125 /nfs/dbraw/zinc/25/81/25/962258125.db2.gz XIKNNZGAHRTVSB-MRXNPFEDSA-N -1 0 310.305 3.602 20 0 DHADRM CC(C)Cc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588906260 962278305 /nfs/dbraw/zinc/27/83/05/962278305.db2.gz UYVGMCMYRHECAB-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000263129300 962281936 /nfs/dbraw/zinc/28/19/36/962281936.db2.gz XQAHAUQIRBIRIN-SNVBAGLBSA-N -1 0 305.761 3.535 20 0 DHADRM CC(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(F)c1 ZINC001588912570 962326359 /nfs/dbraw/zinc/32/63/59/962326359.db2.gz NLKJFJRMWGLXPG-SREVYHEPSA-N -1 0 317.316 3.572 20 0 DHADRM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575213 1013332310 /nfs/dbraw/zinc/33/23/10/1013332310.db2.gz IIAMJMNWSNVVIR-LJISPDSOSA-N -1 0 323.477 3.845 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000263200915 962356827 /nfs/dbraw/zinc/35/68/27/962356827.db2.gz JXHLHTKVIUZDTB-LBPRGKRZSA-N -1 0 309.365 3.616 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H](Nc2nc3cccc(F)c3o2)c2ccccc21 ZINC001574649158 962412964 /nfs/dbraw/zinc/41/29/64/962412964.db2.gz ISXQOFOWLUZONO-BXUZGUMPSA-N -1 0 312.300 3.692 20 0 DHADRM Cc1ccc2c(C(=O)N(C)C(C)(C)CC(=O)[O-])csc2c1 ZINC001347928946 962435486 /nfs/dbraw/zinc/43/54/86/962435486.db2.gz PSNBEVJARVGAOE-UHFFFAOYSA-N -1 0 305.399 3.535 20 0 DHADRM CC[C@H](NC(=O)CCCCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000263319257 962461635 /nfs/dbraw/zinc/46/16/35/962461635.db2.gz QXGRKBPSHWIKJQ-HNNXBMFYSA-N -1 0 305.418 3.504 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000263330377 962476424 /nfs/dbraw/zinc/47/64/24/962476424.db2.gz UUWLSUTUOHOYBY-UHFFFAOYSA-N -1 0 323.364 3.731 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2cccs2)cc1 ZINC000263333950 962481307 /nfs/dbraw/zinc/48/13/07/962481307.db2.gz QMGXMUQUWCJIQZ-NSHDSACASA-N -1 0 303.383 3.508 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2cccs2)c1 ZINC000263337888 962488177 /nfs/dbraw/zinc/48/81/77/962488177.db2.gz RFJZJHAVGMVLAX-NSHDSACASA-N -1 0 317.410 3.853 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\Sc1ccccc1 ZINC001574692056 962641578 /nfs/dbraw/zinc/64/15/78/962641578.db2.gz JLFPWJZQHHXOGN-FZDNWWAKSA-N -1 0 319.426 3.538 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC001588966525 962647798 /nfs/dbraw/zinc/64/77/98/962647798.db2.gz AZGSLONPKJYGDL-OSJSJHBBSA-N -1 0 317.429 3.686 20 0 DHADRM CC/C(C)=C(/C)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001517445654 962800866 /nfs/dbraw/zinc/80/08/66/962800866.db2.gz AWKVPYAICLLTPO-LLNWESEBSA-N -1 0 318.417 3.523 20 0 DHADRM CCC(C)(C)CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526766942 962909187 /nfs/dbraw/zinc/90/91/87/962909187.db2.gz WQORJRLITNFZTG-AWEZNQCLSA-N -1 0 320.433 3.603 20 0 DHADRM CCOc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000048655817 1013382219 /nfs/dbraw/zinc/38/22/19/1013382219.db2.gz 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O=C([O-])C1CCC(Nc2nc(C3CCCCC3)ns2)CC1 ZINC000263292531 967867733 /nfs/dbraw/zinc/86/77/33/967867733.db2.gz ZABLTKVHCOILAR-UHFFFAOYSA-N -1 0 309.435 3.641 20 0 DHADRM CC(C)Cn1ncc(NC2CCC(C(=O)[O-])CC2)c1C(F)F ZINC000263413757 967889137 /nfs/dbraw/zinc/88/91/37/967889137.db2.gz MJXNFOWUBCXVHX-UHFFFAOYSA-N -1 0 315.364 3.532 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000683620554 1013758725 /nfs/dbraw/zinc/75/87/25/1013758725.db2.gz NIGZDDLQFLYVQX-HNNXBMFYSA-N -1 0 319.763 3.910 20 0 DHADRM Cc1ccc2oc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc2c1 ZINC000322036456 968015948 /nfs/dbraw/zinc/01/59/48/968015948.db2.gz NCJUWHAXRSRZSQ-ZDUSSCGKSA-N -1 0 317.385 3.608 20 0 DHADRM CCc1ccc([C@@H](C)NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000620964447 1013790016 /nfs/dbraw/zinc/79/00/16/1013790016.db2.gz ILVIVLGPFYNFFD-SNVBAGLBSA-N -1 0 305.324 3.724 20 0 DHADRM Cc1cc(F)c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC000424627763 968369168 /nfs/dbraw/zinc/36/91/68/968369168.db2.gz 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ZINC000579998412 1013851662 /nfs/dbraw/zinc/85/16/62/1013851662.db2.gz ZPMJOXWFSOGGFV-UHFFFAOYSA-N -1 0 322.455 3.728 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000843330360 969237377 /nfs/dbraw/zinc/23/73/77/969237377.db2.gz WXESLYQVLQGKLF-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1C ZINC000579996741 1013855170 /nfs/dbraw/zinc/85/51/70/1013855170.db2.gz KOUJXGDNBABYEC-UHFFFAOYSA-N -1 0 322.430 3.531 20 0 DHADRM Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)nc1Cl ZINC000873642157 969357040 /nfs/dbraw/zinc/35/70/40/969357040.db2.gz OKHYWDRYSRYNBU-AWEZNQCLSA-N -1 0 316.788 3.622 20 0 DHADRM CCSCc1ccccc1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000909382874 969623430 /nfs/dbraw/zinc/62/34/30/969623430.db2.gz NTEXJSGEKMSEOD-UHFFFAOYSA-N -1 0 323.458 3.561 20 0 DHADRM CC(C)c1nc(/C=C/c2ccc(Cl)nc2)ncc1C(=O)[O-] ZINC000749006407 1013903519 /nfs/dbraw/zinc/90/35/19/1013903519.db2.gz VEYUPUCVYXNVEM-GQCTYLIASA-N -1 0 303.749 3.517 20 0 DHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCC(F)CC1 ZINC000619955906 1013974196 /nfs/dbraw/zinc/97/41/96/1013974196.db2.gz RENBUYDXAOSCRL-SILCLGDVSA-N -1 0 317.763 3.831 20 0 DHADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c(F)c1Cl ZINC001607734665 970395381 /nfs/dbraw/zinc/39/53/81/970395381.db2.gz GASDOWZQOGLTLR-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000319134386 970506316 /nfs/dbraw/zinc/50/63/16/970506316.db2.gz PHSYIWSRRRWATD-GJZGRUSLSA-N -1 0 312.454 3.632 20 0 DHADRM CC(C)[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000580079503 1014018165 /nfs/dbraw/zinc/01/81/65/1014018165.db2.gz RUSHWOUEAWWCFC-JFUPDXTOSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000321129862 970745726 /nfs/dbraw/zinc/74/57/26/970745726.db2.gz RMIGDYKKTZJUIU-AWEZNQCLSA-N -1 0 318.417 3.506 20 0 DHADRM CSc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)ccc1C ZINC001604963112 972550820 /nfs/dbraw/zinc/55/08/20/972550820.db2.gz 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972886629 /nfs/dbraw/zinc/88/66/29/972886629.db2.gz UKQZVXKZQQIESF-RYUDHWBXSA-N -1 0 324.808 3.674 20 0 DHADRM O=C([O-])C1(C(=O)Nc2nc3ccccc3s2)CCCCCC1 ZINC001605944262 972899752 /nfs/dbraw/zinc/89/97/52/972899752.db2.gz OEFJAWGPAXZRQT-UHFFFAOYSA-N -1 0 318.398 3.660 20 0 DHADRM Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1-c1ccncc1 ZINC001605192309 972912337 /nfs/dbraw/zinc/91/23/37/972912337.db2.gz IREWMFHGCJATCO-UHFFFAOYSA-N -1 0 324.380 3.641 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001605277873 973073318 /nfs/dbraw/zinc/07/33/18/973073318.db2.gz UOULPMRCPKOYHL-HWKANZROSA-N -1 0 305.717 3.592 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C\C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])C1(C)C ZINC001603408015 973076291 /nfs/dbraw/zinc/07/62/91/973076291.db2.gz XQXADHCIQQBGIR-AEBJQVKBSA-N -1 0 321.461 3.717 20 0 DHADRM Cc1ccc(F)cc1[C@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001605284829 973085081 /nfs/dbraw/zinc/08/50/81/973085081.db2.gz RYPLHTPOKICEPR-SJCJKPOMSA-N -1 0 306.333 3.549 20 0 DHADRM Cc1ccc2nc(C(=O)Nc3ccc(C(=O)[O-])cc3F)ccc2c1 ZINC001605315182 973146290 /nfs/dbraw/zinc/14/62/90/973146290.db2.gz YACSGZQYPRAZHK-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC001605321589 973160013 /nfs/dbraw/zinc/16/00/13/973160013.db2.gz LYPIGKXRNICQSU-NWDGAFQWSA-N -1 0 309.431 3.652 20 0 DHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1nc(C2CC2)cs1 ZINC000255194588 1014086996 /nfs/dbraw/zinc/08/69/96/1014086996.db2.gz YWSFYICBHKROTP-FPLPWBNLSA-N -1 0 324.402 3.572 20 0 DHADRM Cn1nc(Nc2cc(Cl)c([O-])c(Cl)c2)c2cccnc21 ZINC001210924133 1014088192 /nfs/dbraw/zinc/08/81/92/1014088192.db2.gz FCBIHTIAPHHHMI-UHFFFAOYSA-N -1 0 309.156 3.724 20 0 DHADRM COc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000049082508 1014089196 /nfs/dbraw/zinc/08/91/96/1014089196.db2.gz DGPCBZVMNIGIHI-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM Nc1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)c(CCO)c1 ZINC001210929036 1014090629 /nfs/dbraw/zinc/09/06/29/1014090629.db2.gz RFYORNOGHRSVSF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/39/91/50/973399150.db2.gz YSAFUONIROYHDR-ZRMMWKCHSA-N -1 0 302.374 3.595 20 0 DHADRM O=C([O-])CN(C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000683921196 1014109709 /nfs/dbraw/zinc/10/97/09/1014109709.db2.gz KRHXUPOBKWVAGM-UHFFFAOYSA-N -1 0 310.781 3.591 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)NC/C=C/c2ccccc2)c1 ZINC001606210586 973460625 /nfs/dbraw/zinc/46/06/25/973460625.db2.gz TYYXHCOJLYWBDS-WEVVVXLNSA-N -1 0 324.380 3.539 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001603508134 973490075 /nfs/dbraw/zinc/49/00/75/973490075.db2.gz HVWBDRWVXTXMRY-AWEZNQCLSA-N -1 0 317.429 3.701 20 0 DHADRM Cc1oc2ccccc2c1CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001605459768 973548684 /nfs/dbraw/zinc/54/86/84/973548684.db2.gz LWDOWZSTBDOZMJ-UHFFFAOYSA-N -1 0 323.348 3.550 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001603522456 973553151 /nfs/dbraw/zinc/55/31/51/973553151.db2.gz LSOOZSTWBHYHHQ-UHFFFAOYSA-N -1 0 319.445 3.534 20 0 DHADRM CCC(CC)(CNc1nccc(Oc2ccccc2)n1)C(=O)[O-] ZINC001603543146 973599307 /nfs/dbraw/zinc/59/93/07/973599307.db2.gz IBCVQBOZIFQWSW-UHFFFAOYSA-N -1 0 315.373 3.572 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1 ZINC001606478523 973955897 /nfs/dbraw/zinc/95/58/97/973955897.db2.gz FNGMTWAVNRTOJQ-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2cc(Cl)cs2)C(=O)[O-])c1 ZINC000417559244 973960744 /nfs/dbraw/zinc/96/07/44/973960744.db2.gz HRDDCJZOFPMQTK-CQSZACIVSA-N -1 0 309.818 3.934 20 0 DHADRM CCC[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccccc1 ZINC001603633553 973961374 /nfs/dbraw/zinc/96/13/74/973961374.db2.gz GYHOSCCGLQQLSC-HNNXBMFYSA-N -1 0 320.433 3.718 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2cnc(C(C)C)s2)C(=O)[O-])c1 ZINC000417561044 973962525 /nfs/dbraw/zinc/96/25/25/973962525.db2.gz LCKJMJCXCSGKPN-OAHLLOKOSA-N -1 0 318.442 3.799 20 0 DHADRM CCCC[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])C(C)C ZINC001603640154 973979013 /nfs/dbraw/zinc/97/90/13/973979013.db2.gz IAWXMRGKPPDRDW-RDJZCZTQSA-N -1 0 317.429 3.659 20 0 DHADRM CCCCCCN(Cc1ccco1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001603640427 973981898 /nfs/dbraw/zinc/98/18/98/973981898.db2.gz GVGUTZHCKOLABZ-UHFFFAOYSA-N -1 0 319.401 3.610 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001603641063 973988079 /nfs/dbraw/zinc/98/80/79/973988079.db2.gz JPPJPAGLZSUASA-PRLABOORSA-N -1 0 309.450 3.552 20 0 DHADRM CCCCC1CCC(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001603641333 973989043 /nfs/dbraw/zinc/98/90/43/973989043.db2.gz KRXIYDHJVOTCTI-WTNGLUPJSA-N -1 0 309.450 3.600 20 0 DHADRM CCCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CC1 ZINC001603655074 974028058 /nfs/dbraw/zinc/02/80/58/974028058.db2.gz SXWXESAMUIFMDA-UHFFFAOYSA-N -1 0 314.744 3.584 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1ccc(CC)c(CC)c1)C(=O)[O-] ZINC000565676368 1014160982 /nfs/dbraw/zinc/16/09/82/1014160982.db2.gz IQDPJVGEGPGHKZ-QGZVFWFLSA-N -1 0 306.406 3.576 20 0 DHADRM CCCC[C@@H](CC)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000447897821 974125836 /nfs/dbraw/zinc/12/58/36/974125836.db2.gz PEFHNWPPYPPOBT-NVXWUHKLSA-N -1 0 319.445 3.952 20 0 DHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000580493803 1014168235 /nfs/dbraw/zinc/16/82/35/1014168235.db2.gz SMVCPWFMDJTAFJ-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478821953 974208407 /nfs/dbraw/zinc/20/84/07/974208407.db2.gz BHIZMHKVHCLSRI-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM COCCOc1ccc(-c2ccc([C@H](C)C(=O)[O-])s2)cc1 ZINC000514951310 974295289 /nfs/dbraw/zinc/29/52/89/974295289.db2.gz PZWIGXQVACVKMT-NSHDSACASA-N -1 0 306.383 3.628 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000656239263 1014192319 /nfs/dbraw/zinc/19/23/19/1014192319.db2.gz WXCQPSNHUIENKJ-INIZCTEOSA-N -1 0 315.413 3.527 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603976506 974474463 /nfs/dbraw/zinc/47/44/63/974474463.db2.gz KEQNCHXZDRIQQU-ZWKOTPCHSA-N -1 0 323.392 3.618 20 0 DHADRM O=C([O-])c1sccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000565103494 974569539 /nfs/dbraw/zinc/56/95/39/974569539.db2.gz FZISAAPQAZOPNN-JTQLQIEISA-N -1 0 323.364 3.714 20 0 DHADRM CCN(C(=O)C[C@H](C)CC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000565667354 974587082 /nfs/dbraw/zinc/58/70/82/974587082.db2.gz SOUQTRORUDBHRH-STQMWFEESA-N -1 0 317.385 3.843 20 0 DHADRM Cc1sc(N2CC[C@H](c3ccccc3)[C@@H]2C)nc1C(=O)[O-] ZINC000565719437 974588223 /nfs/dbraw/zinc/58/82/23/974588223.db2.gz XCTZIMJWQJGPDS-GWCFXTLKSA-N -1 0 302.399 3.532 20 0 DHADRM COCCOc1cccc(-c2ccc([C@@H](C)C(=O)[O-])s2)c1 ZINC000566747916 974621069 /nfs/dbraw/zinc/62/10/69/974621069.db2.gz GNQBVJKSMIYBMG-LLVKDONJSA-N -1 0 306.383 3.628 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000568246735 974662884 /nfs/dbraw/zinc/66/28/84/974662884.db2.gz WPQHCARWBSDWEU-GJZGRUSLSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CC(C)(C)C[C@@H]1C)C(=O)[O-] ZINC000568273544 974663889 /nfs/dbraw/zinc/66/38/89/974663889.db2.gz FKPXBAJSPIKAIG-RYUDHWBXSA-N -1 0 321.442 3.512 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000568520624 974673541 /nfs/dbraw/zinc/67/35/41/974673541.db2.gz JGVSTUBTTIYMED-IGCXYCKISA-N -1 0 315.369 3.501 20 0 DHADRM Cc1oc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000569347614 974689018 /nfs/dbraw/zinc/68/90/18/974689018.db2.gz JJQSDPKSKXMBJR-MRXNPFEDSA-N -1 0 303.333 3.762 20 0 DHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3-c3ccccc32)CCC1 ZINC000656249273 1014212108 /nfs/dbraw/zinc/21/21/08/1014212108.db2.gz VCAJQLHDPRMWRY-UHFFFAOYSA-N -1 0 321.376 3.845 20 0 DHADRM C[C@@H](CCc1ccccc1F)Nc1cccc(CC(=O)[O-])c1 ZINC000574138494 974776814 /nfs/dbraw/zinc/77/68/14/974776814.db2.gz ULNPBCXWDASENV-ZDUSSCGKSA-N -1 0 301.361 3.886 20 0 DHADRM C[C@@H](NCc1ccc(C2CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000574877627 974790170 /nfs/dbraw/zinc/79/01/70/974790170.db2.gz KWLYSBJXCUVVDB-SNVBAGLBSA-N -1 0 302.399 3.570 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000578849846 974863211 /nfs/dbraw/zinc/86/32/11/974863211.db2.gz ULVADCZKRXROEF-RYUDHWBXSA-N -1 0 305.374 3.548 20 0 DHADRM Cc1cc(C)cc(C2=CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)c1 ZINC000579120053 974868314 /nfs/dbraw/zinc/86/83/14/974868314.db2.gz YGKOWJRYDJHRKN-LJQANCHMSA-N -1 0 322.408 3.613 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2cccc(Cl)c2s1 ZINC000579235812 974871524 /nfs/dbraw/zinc/87/15/24/974871524.db2.gz IFLUISFNUAEFHU-KOLCDFICSA-N -1 0 323.801 3.538 20 0 DHADRM CCOc1cc(CNc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000579928362 974885318 /nfs/dbraw/zinc/88/53/18/974885318.db2.gz DDUFXAGNWSLGQG-UHFFFAOYSA-N -1 0 315.369 3.713 20 0 DHADRM O=C([O-])c1coc(CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000580719609 974898963 /nfs/dbraw/zinc/89/89/63/974898963.db2.gz HLJSYCUIYQOREK-OAHLLOKOSA-N -1 0 305.761 3.968 20 0 DHADRM C[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000581195490 974906549 /nfs/dbraw/zinc/90/65/49/974906549.db2.gz MBDMGEISDOMGQV-BPUTZDHNSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])CCC(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000581387965 974909449 /nfs/dbraw/zinc/90/94/49/974909449.db2.gz UXBUIQDJWLKNCH-IBGZPJMESA-N -1 0 323.348 3.503 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737592 974914857 /nfs/dbraw/zinc/91/48/57/974914857.db2.gz LXXMDSMUTAPDIK-INIZCTEOSA-N -1 0 324.380 3.866 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2ccc3c(c2)OCCCCO3)s1 ZINC000582402451 974926257 /nfs/dbraw/zinc/92/62/57/974926257.db2.gz XRMNVIBWKQDWNC-XQRVVYSFSA-N -1 0 317.366 3.563 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000618020605 975024616 /nfs/dbraw/zinc/02/46/16/975024616.db2.gz PYMYCHGUVPEVPB-NKWVEPMBSA-N -1 0 322.213 3.527 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000621566226 975033170 /nfs/dbraw/zinc/03/31/70/975033170.db2.gz GEHVQWBMBQWOCU-LBPRGKRZSA-N -1 0 321.760 3.556 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC000621609921 975058401 /nfs/dbraw/zinc/05/84/01/975058401.db2.gz YETZFGUBFYIEFF-QWRGUYRKSA-N -1 0 324.446 3.625 20 0 DHADRM CCCC[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000621706433 975063756 /nfs/dbraw/zinc/06/37/56/975063756.db2.gz UIPYKQXILBMTSS-CYBMUJFWSA-N -1 0 322.792 3.503 20 0 DHADRM CSc1cc(C)c(-c2ccc(F)c(CCC(=O)[O-])c2)cn1 ZINC000580581331 1014234062 /nfs/dbraw/zinc/23/40/62/1014234062.db2.gz IOQAFDAIOMSRGW-UHFFFAOYSA-N -1 0 305.374 3.935 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000630102808 975101943 /nfs/dbraw/zinc/10/19/43/975101943.db2.gz WMWQTPKFESCBDR-AGIUHOORSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000630118577 975109264 /nfs/dbraw/zinc/10/92/64/975109264.db2.gz KNHMLMDIKGPPFH-HNNXBMFYSA-N -1 0 315.369 3.756 20 0 DHADRM Cc1cc(C(=O)N(CC2CCC2)c2ccccc2)oc1C(=O)[O-] ZINC000630122769 975110974 /nfs/dbraw/zinc/11/09/74/975110974.db2.gz IWKOBNZVDBEOTJ-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM CCC[C@@](C)(NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000630124241 975111660 /nfs/dbraw/zinc/11/16/60/975111660.db2.gz KCCWBLPKBWQRJQ-GOSISDBHSA-N -1 0 315.369 3.628 20 0 DHADRM CCCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000630144688 975127678 /nfs/dbraw/zinc/12/76/78/975127678.db2.gz PBTCIGKDUULPIL-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000630161452 975136649 /nfs/dbraw/zinc/13/66/49/975136649.db2.gz ZVSOCVUVTYAKGO-CQSZACIVSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000630175145 975143522 /nfs/dbraw/zinc/14/35/22/975143522.db2.gz KJBRFAWNHACNBR-IBGZPJMESA-N -1 0 323.348 3.665 20 0 DHADRM CCc1ccc(CN(CC(C)C)C(=O)CCCCC(=O)[O-])cc1 ZINC000630226160 975173501 /nfs/dbraw/zinc/17/35/01/975173501.db2.gz CHUSMRQASGGTKA-UHFFFAOYSA-N -1 0 319.445 3.879 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3C[C@@H]3C3CCCC3)ccc12 ZINC000630234723 975181436 /nfs/dbraw/zinc/18/14/36/975181436.db2.gz WCSQUYAIJWNQRL-KGLIPLIRSA-N -1 0 312.369 3.631 20 0 DHADRM CCCC[C@H](CC)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630237599 975182770 /nfs/dbraw/zinc/18/27/70/975182770.db2.gz CVXRNQLEGIRPAV-LBPRGKRZSA-N -1 0 321.392 3.625 20 0 DHADRM Cc1coc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc12 ZINC000630263208 975206670 /nfs/dbraw/zinc/20/66/70/975206670.db2.gz LIYXZDFWBWTSTA-RYUDHWBXSA-N -1 0 301.342 3.571 20 0 DHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1 ZINC000630280029 975225304 /nfs/dbraw/zinc/22/53/04/975225304.db2.gz ABWYJKXUAGVJFB-IXDOHACOSA-N -1 0 315.413 3.525 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630293858 975234448 /nfs/dbraw/zinc/23/44/48/975234448.db2.gz BZYKQBGEZHRUED-USXIJHARSA-N -1 0 317.429 3.672 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000630294830 975235069 /nfs/dbraw/zinc/23/50/69/975235069.db2.gz NYCOTYDMIMBEIR-WMLDXEAASA-N -1 0 323.392 3.666 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000630296428 975236451 /nfs/dbraw/zinc/23/64/51/975236451.db2.gz CUGSXNPFZZXASM-UHFFFAOYSA-N -1 0 323.820 3.691 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000630298846 975237495 /nfs/dbraw/zinc/23/74/95/975237495.db2.gz ZRXCEUWYBHFWGN-SHTZXODSSA-N -1 0 321.461 3.887 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630328480 975256122 /nfs/dbraw/zinc/25/61/22/975256122.db2.gz CBNNNDDPBJZHSC-UONOGXRCSA-N -1 0 315.394 3.805 20 0 DHADRM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328445 975256172 /nfs/dbraw/zinc/25/61/72/975256172.db2.gz BBXYNOVQTKVMGT-VCOSZWKGSA-N -1 0 301.386 3.640 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328696 975257053 /nfs/dbraw/zinc/25/70/53/975257053.db2.gz SRGBJAVSICFQKK-JKSUJKDBSA-N -1 0 309.365 3.744 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000630331440 975259370 /nfs/dbraw/zinc/25/93/70/975259370.db2.gz ZWOQPVBJTBRMFS-LTIDMASMSA-N -1 0 313.397 3.640 20 0 DHADRM COc1cc(F)cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630466932 975266602 /nfs/dbraw/zinc/26/66/02/975266602.db2.gz GNDWWFYAIRHDHF-DLBZAZTESA-N -1 0 315.344 3.635 20 0 DHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000649255862 975394551 /nfs/dbraw/zinc/39/45/51/975394551.db2.gz BCFHUQKEQUSTDN-NEPJUHHUSA-N -1 0 321.442 3.735 20 0 DHADRM Cc1ccc2c(C(=O)NCC3(C(=O)[O-])CCCC3)csc2c1 ZINC000649360619 975407028 /nfs/dbraw/zinc/40/70/28/975407028.db2.gz VLCNPCQNUISYPP-UHFFFAOYSA-N -1 0 317.410 3.585 20 0 DHADRM O=C([O-])CN(Cc1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000652482129 975549625 /nfs/dbraw/zinc/54/96/25/975549625.db2.gz OIDLKYQYAFNDDL-UHFFFAOYSA-N -1 0 320.414 3.622 20 0 DHADRM CCCC(CCC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653329409 975589665 /nfs/dbraw/zinc/58/96/65/975589665.db2.gz VZEOSSDWKKGXFQ-CVEARBPZSA-N -1 0 303.402 3.632 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653636302 975599683 /nfs/dbraw/zinc/59/96/83/975599683.db2.gz AILVEYDGFJJGHQ-UHFFFAOYSA-N -1 0 319.445 3.848 20 0 DHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C2CC2)c1)c1cccs1 ZINC000656231831 975647243 /nfs/dbraw/zinc/64/72/43/975647243.db2.gz FXUHHGOHFNKPEO-AWEZNQCLSA-N -1 0 315.394 3.571 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000659118333 975714666 /nfs/dbraw/zinc/71/46/66/975714666.db2.gz IDADHBAQDVWLBD-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1sc2c(c1C)CCCC2 ZINC000659121559 975720145 /nfs/dbraw/zinc/72/01/45/975720145.db2.gz FIJUFYDRNUICOE-UHFFFAOYSA-N -1 0 319.382 3.787 20 0 DHADRM Cc1ccc(CN(C(=O)c2cc(C(=O)[O-])oc2C)C(C)C)s1 ZINC000659121454 975720385 /nfs/dbraw/zinc/72/03/85/975720385.db2.gz ZJRCONYXMCZWEQ-UHFFFAOYSA-N -1 0 321.398 3.707 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C ZINC000659122429 975721725 /nfs/dbraw/zinc/72/17/25/975721725.db2.gz MIGPBIFCERPJKK-AWEZNQCLSA-N -1 0 315.413 3.516 20 0 DHADRM 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DHADRM CC(C)Oc1ccc([C@H](C)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591772559 975905363 /nfs/dbraw/zinc/90/53/63/975905363.db2.gz AZMNCJAZDMOHCT-LBPRGKRZSA-N -1 0 300.358 3.740 20 0 DHADRM CC(C)Oc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001591773220 975910636 /nfs/dbraw/zinc/91/06/36/975910636.db2.gz SDVIZKKJZUWNCB-NSHDSACASA-N -1 0 318.325 3.683 20 0 DHADRM CC(C)Oc1ccc(CSc2nc(C(=O)[O-])cs2)cc1 ZINC001591775195 975916547 /nfs/dbraw/zinc/91/65/47/975916547.db2.gz LHGGSSCJEFXWLF-UHFFFAOYSA-N -1 0 309.412 3.921 20 0 DHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000663158899 975937113 /nfs/dbraw/zinc/93/71/13/975937113.db2.gz WDTNITOBMJVRLF-CQSZACIVSA-N -1 0 315.394 3.670 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C(=O)[O-])c1 ZINC001591781373 975953362 /nfs/dbraw/zinc/95/33/62/975953362.db2.gz YQSRPIUKFVUWRH-VIKVFOODSA-N -1 0 317.385 3.547 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C ZINC000666364880 975960386 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CC(C)Oc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591795892 976004022 /nfs/dbraw/zinc/00/40/22/976004022.db2.gz SIQSZAGTGDXTDY-SNVBAGLBSA-N -1 0 306.387 3.802 20 0 DHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000580706750 1014299335 /nfs/dbraw/zinc/29/93/35/1014299335.db2.gz OZESIYJWVVRGMX-UHFFFAOYSA-N -1 0 319.445 3.836 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679106679 976048289 /nfs/dbraw/zinc/04/82/89/976048289.db2.gz SUYSWVRUSBEYRO-HZPDHXFCSA-N -1 0 323.477 3.942 20 0 DHADRM CC(C)SCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001591828338 976086015 /nfs/dbraw/zinc/08/60/15/976086015.db2.gz MANSXKALJZSKEI-UHFFFAOYSA-N -1 0 311.350 3.990 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001591934914 976448179 /nfs/dbraw/zinc/44/81/79/976448179.db2.gz NFLNAJDPYCUZQZ-UHFFFAOYSA-N -1 0 306.749 3.742 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001591948357 976498958 /nfs/dbraw/zinc/49/89/58/976498958.db2.gz FYKLGDFSZAMYBB-QZJSNOFBSA-N -1 0 315.413 3.583 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591948546 976501062 /nfs/dbraw/zinc/50/10/62/976501062.db2.gz ITTCGHXQVODNIG-HWKANZROSA-N -1 0 324.380 3.945 20 0 DHADRM COc1ccc2nc(/C=C\c3cccc(O)c3)cc(C(=O)[O-])c2c1 ZINC000580746480 1014330997 /nfs/dbraw/zinc/33/09/97/1014330997.db2.gz PFFUGMCHJQHUKK-WAYWQWQTSA-N -1 0 321.332 3.818 20 0 DHADRM CC(C)c1ccc([C@H](NC(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591949540 976507156 /nfs/dbraw/zinc/50/71/56/976507156.db2.gz WKJNUDHCNQKLQC-QGZVFWFLSA-N -1 0 320.433 3.671 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591973527 976576681 /nfs/dbraw/zinc/57/66/81/976576681.db2.gz CNOWAVAMHUJFET-ZFWWWQNUSA-N -1 0 309.356 3.529 20 0 DHADRM CC(C)c1ccc([S@@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001591974050 976583956 /nfs/dbraw/zinc/58/39/56/976583956.db2.gz POCFDFSEOUFEBY-QFIPXVFZSA-N -1 0 316.422 3.859 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2Cc1cccc(C(=O)[O-])n1 ZINC001591974611 976591318 /nfs/dbraw/zinc/59/13/18/976591318.db2.gz ZQEZUFLDTGIHLI-UHFFFAOYSA-N -1 0 310.397 3.856 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC(=O)[O-] ZINC001591987870 976613709 /nfs/dbraw/zinc/61/37/09/976613709.db2.gz TYYUYXXDDMSPEB-LBPRGKRZSA-N -1 0 306.406 3.918 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591988153 976615436 /nfs/dbraw/zinc/61/54/36/976615436.db2.gz XMADSBYMARJFAM-IUODEOHRSA-N -1 0 318.417 3.776 20 0 DHADRM CC(C)c1cccc(N(CCO)Cc2ccsc2C(=O)[O-])c1 ZINC001591991330 976616777 /nfs/dbraw/zinc/61/67/77/976616777.db2.gz ADXGNSWEAJKQCE-UHFFFAOYSA-N -1 0 319.426 3.569 20 0 DHADRM CC(C)c1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001591994550 976634344 /nfs/dbraw/zinc/63/43/44/976634344.db2.gz KWYOFXXMYVAIOP-UHFFFAOYSA-N -1 0 309.365 3.711 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001592002922 976658002 /nfs/dbraw/zinc/65/80/02/976658002.db2.gz MBCZCGMIZUODIM-UHFFFAOYSA-N -1 0 322.386 3.519 20 0 DHADRM CC(C)c1ccoc1-c1noc(Cc2ccccc2C(=O)[O-])n1 ZINC001592004460 976668326 /nfs/dbraw/zinc/66/83/26/976668326.db2.gz QZXRXLFMWSSPLX-UHFFFAOYSA-N -1 0 312.325 3.742 20 0 DHADRM CCc1ccc([C@H](NCc2cc(Cl)cs2)C(=O)[O-])cc1 ZINC000417579096 1014342829 /nfs/dbraw/zinc/34/28/29/1014342829.db2.gz BRPQOBQDGNQBFQ-AWEZNQCLSA-N -1 0 309.818 3.879 20 0 DHADRM CC(C)c1ncc(-c2nc3cc(C(=O)[O-])ccc3n2C)s1 ZINC001592031900 976741962 /nfs/dbraw/zinc/74/19/62/976741962.db2.gz JQXOOYZTCCPXAG-UHFFFAOYSA-N -1 0 301.371 3.518 20 0 DHADRM CC(C)c1ncc(CN2CCc3cc(C(=O)[O-])ccc32)s1 ZINC001592033033 976747732 /nfs/dbraw/zinc/74/77/32/976747732.db2.gz GFUPDYKQCXRKKY-UHFFFAOYSA-N -1 0 302.399 3.527 20 0 DHADRM CC(C)c1ncc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033051 976747755 /nfs/dbraw/zinc/74/77/55/976747755.db2.gz GUTSUXALDDFSHJ-CQSZACIVSA-N -1 0 304.415 3.524 20 0 DHADRM CC(C)c1nccn1Cc1cc(C(=O)[O-])ccc1Br ZINC001592039443 976761034 /nfs/dbraw/zinc/76/10/34/976761034.db2.gz JBTGTYPYJKAJFN-UHFFFAOYSA-N -1 0 323.190 3.516 20 0 DHADRM CC(C)c1sc(NC(=O)CCC2CCCC2)nc1C(=O)[O-] ZINC001592111662 976900689 /nfs/dbraw/zinc/90/06/89/976900689.db2.gz JBYICNHJAVWRJI-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM C[C@@H](C1CC1)n1cc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592180375 977091414 /nfs/dbraw/zinc/09/14/14/977091414.db2.gz AICMMKFKDKJQQN-ZUZCIYMTSA-N -1 0 319.792 3.745 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592181615 977108444 /nfs/dbraw/zinc/10/84/44/977108444.db2.gz PFOQJLHXSARKAJ-LLVKDONJSA-N -1 0 322.380 3.956 20 0 DHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])C1CCCCC1 ZINC001592246551 977475881 /nfs/dbraw/zinc/47/58/81/977475881.db2.gz UWMHMVLJSPDGSW-XUWXXGDYSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001592262097 977505890 /nfs/dbraw/zinc/50/58/90/977505890.db2.gz OHYUTAVICQOULM-SNVBAGLBSA-N -1 0 318.760 3.566 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001592381795 977921519 /nfs/dbraw/zinc/92/15/19/977921519.db2.gz PWIVBBWMELMBMJ-XJNFMUPTSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001592385412 977928662 /nfs/dbraw/zinc/92/86/62/977928662.db2.gz STHMBTPDFWUEIG-UAGQMJEPSA-N -1 0 317.429 3.578 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1cccc(F)c1 ZINC001592423211 978039391 /nfs/dbraw/zinc/03/93/91/978039391.db2.gz BLQFULGULRAKEC-MEBBXXQBSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1F ZINC001592428340 978049247 /nfs/dbraw/zinc/04/92/47/978049247.db2.gz BBGOLFVFAMOIBK-FRRDWIJNSA-N -1 0 308.349 3.506 20 0 DHADRM CCc1cccc(C)c1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000320677456 1014460874 /nfs/dbraw/zinc/46/08/74/1014460874.db2.gz UEHWTTSCTFLNHG-HNNXBMFYSA-N -1 0 318.417 3.809 20 0 DHADRM C[C@H](CC1CC1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001592460243 978182420 /nfs/dbraw/zinc/18/24/20/978182420.db2.gz SQQFAVQYXZJPNE-CYBMUJFWSA-N -1 0 302.418 3.976 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592465672 978207837 /nfs/dbraw/zinc/20/78/37/978207837.db2.gz IWTRDNROIBUEMS-CYBMUJFWSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001592477458 978243404 /nfs/dbraw/zinc/24/34/04/978243404.db2.gz KSGLVSVJBBZSNV-LBPRGKRZSA-N -1 0 323.458 3.854 20 0 DHADRM Cc1cc(NC(=S)N[C@@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000738452150 978540342 /nfs/dbraw/zinc/54/03/42/978540342.db2.gz JSRMIBDGSZHHHL-WCBMZHEXSA-N -1 0 312.460 3.620 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000753977185 978695935 /nfs/dbraw/zinc/69/59/35/978695935.db2.gz UDXKCPYURYDZAA-UHFFFAOYSA-N -1 0 317.316 3.811 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000761661440 978713494 /nfs/dbraw/zinc/71/34/94/978713494.db2.gz AMBWKJAGOSQNOR-ZDUSSCGKSA-N -1 0 319.307 3.795 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000761653242 978713505 /nfs/dbraw/zinc/71/35/05/978713505.db2.gz WLBRHSYPZZLOKU-OVKVCFKUSA-N -1 0 317.429 3.973 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC000761837063 978715118 /nfs/dbraw/zinc/71/51/18/978715118.db2.gz QWCLIIZWQZFBON-MRXNPFEDSA-N -1 0 315.369 3.710 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000766739484 978724780 /nfs/dbraw/zinc/72/47/80/978724780.db2.gz VEWQKFBGLMQMQC-VAWYXSNFSA-N -1 0 318.332 3.585 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1(C)C ZINC000766846116 978727230 /nfs/dbraw/zinc/72/72/30/978727230.db2.gz JQOOZTFSTOCNQR-HOCLYGCPSA-N -1 0 313.397 3.512 20 0 DHADRM CC(C)CCCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000767042150 978732311 /nfs/dbraw/zinc/73/23/11/978732311.db2.gz WRMWXYKTDCWVQV-SFHVURJKSA-N -1 0 317.429 3.804 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1cccc(F)c1 ZINC000767155505 978735850 /nfs/dbraw/zinc/73/58/50/978735850.db2.gz NWSUWWFOTYFJTK-PKNBQFBNSA-N -1 0 313.328 3.874 20 0 DHADRM CC(C)CCCCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000767200164 978736659 /nfs/dbraw/zinc/73/66/59/978736659.db2.gz SWNYROYZWYJAIU-INIZCTEOSA-N -1 0 305.418 3.578 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777361952 978776384 /nfs/dbraw/zinc/77/63/84/978776384.db2.gz XKYSCSDURCJYPS-CQSZACIVSA-N -1 0 305.418 3.793 20 0 DHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811814340 978857449 /nfs/dbraw/zinc/85/74/49/978857449.db2.gz UWEABDJDINFTMS-LLVKDONJSA-N -1 0 317.772 3.572 20 0 DHADRM C[C@@H](c1cccs1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816323 978859984 /nfs/dbraw/zinc/85/99/84/978859984.db2.gz TXALACRAQATZFL-VIFPVBQESA-N -1 0 323.801 3.933 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000811820452 978864786 /nfs/dbraw/zinc/86/47/86/978864786.db2.gz YGMUUUWZWKKFQQ-SECBINFHSA-N -1 0 323.801 3.899 20 0 DHADRM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1(C)C ZINC000811823944 978869171 /nfs/dbraw/zinc/86/91/71/978869171.db2.gz ZVFDUXJTNBFCFD-JTQLQIEISA-N -1 0 309.793 3.546 20 0 DHADRM CCc1cccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000818806803 978923445 /nfs/dbraw/zinc/92/34/45/978923445.db2.gz KKBQZJLMWCMKJH-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CC[C@H](C)n1ncc(NCc2cc(C(=O)[O-])c(C)o2)c1C1CC1 ZINC001595025692 979131144 /nfs/dbraw/zinc/13/11/44/979131144.db2.gz BBBCVWCENVFPHI-JTQLQIEISA-N -1 0 317.389 3.943 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001595033025 979171871 /nfs/dbraw/zinc/17/18/71/979171871.db2.gz AMFOICMTRTYHDH-WMLDXEAASA-N -1 0 317.429 3.720 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595035316 979183286 /nfs/dbraw/zinc/18/32/86/979183286.db2.gz CJMLUHSMUJZXEX-GDBMZVCRSA-N -1 0 305.418 3.618 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)Oc1cc(C(=O)[O-])ccc1C ZINC001595038047 979206901 /nfs/dbraw/zinc/20/69/01/979206901.db2.gz CAYGYLCJZPAXHW-SECBINFHSA-N -1 0 304.264 3.577 20 0 DHADRM CC[C@H](CC(F)F)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595041671 979227835 /nfs/dbraw/zinc/22/78/35/979227835.db2.gz CJWFBWHDNBAVLV-DTWKUNHWSA-N -1 0 304.289 3.572 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001595048971 979270669 /nfs/dbraw/zinc/27/06/69/979270669.db2.gz XBLCBTSMXVXTAO-CYBMUJFWSA-N -1 0 323.820 3.520 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc2c1CCCCC2 ZINC001595053218 979284757 /nfs/dbraw/zinc/28/47/57/979284757.db2.gz GAENTEIUDLOLPB-UHFFFAOYSA-N -1 0 317.429 3.719 20 0 DHADRM CC[C@@](CNC(=O)/C=C(\C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000840946970 979286293 /nfs/dbraw/zinc/28/62/93/979286293.db2.gz IGAFVXRBYBLQEP-XUDAUXSOSA-N -1 0 317.429 3.528 20 0 DHADRM CCC(CC)(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595057732 979302025 /nfs/dbraw/zinc/30/20/25/979302025.db2.gz GVYHRFWINCHPOS-UHFFFAOYSA-N -1 0 313.781 3.899 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841503322 979306282 /nfs/dbraw/zinc/30/62/82/979306282.db2.gz QKXXGOQDCAPPTM-CYBMUJFWSA-N -1 0 318.417 3.606 20 0 DHADRM CCC(CC)(CCOC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595059613 979308780 /nfs/dbraw/zinc/30/87/80/979308780.db2.gz HTGJBTFSCDLLMZ-GHMZBOCLSA-N -1 0 324.339 3.789 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000844245623 979390454 /nfs/dbraw/zinc/39/04/54/979390454.db2.gz NPTFLLNUCSJOSP-GOSISDBHSA-N -1 0 303.402 3.679 20 0 DHADRM O=C([O-])C[C@H](NC(=O)/C=C/C1CCCCCC1)c1cccs1 ZINC000846113440 979403745 /nfs/dbraw/zinc/40/37/45/979403745.db2.gz KSYMEJUOFVRWRU-HBWSCVEGSA-N -1 0 321.442 3.907 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)/C=C\C1CCCC1)c1cccc(Cl)c1 ZINC000846116481 979406000 /nfs/dbraw/zinc/40/60/00/979406000.db2.gz IEZRWVJXZOFGCD-WHLNPGIBSA-N -1 0 321.804 3.718 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)/C=C\C2CCCC2)cc1)C(=O)[O-] ZINC000846119252 979406852 /nfs/dbraw/zinc/40/68/52/979406852.db2.gz ZEAWBORJVAYXOO-BIRHUZIMSA-N -1 0 301.386 3.635 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595106101 979428551 /nfs/dbraw/zinc/42/85/51/979428551.db2.gz YBGKSXGDGSSBCA-KBPBESRZSA-N -1 0 305.418 3.561 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001595106494 979433383 /nfs/dbraw/zinc/43/33/83/979433383.db2.gz OXBNFIYJHQOILR-SNVBAGLBSA-N -1 0 312.435 3.561 20 0 DHADRM CCC(CC)CC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595109533 979442905 /nfs/dbraw/zinc/44/29/05/979442905.db2.gz HDAPJAFRUZZFDR-UHFFFAOYSA-N -1 0 303.402 3.799 20 0 DHADRM CCC(CC)Oc1ccc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1 ZINC001595121134 979486489 /nfs/dbraw/zinc/48/64/89/979486489.db2.gz DEXPVWKPNPYVPQ-ZDUSSCGKSA-N -1 0 321.417 3.579 20 0 DHADRM CCC(CC)n1ccc(CSCc2ccc(C(=O)[O-])cn2)n1 ZINC001595124410 979505555 /nfs/dbraw/zinc/50/55/55/979505555.db2.gz JNAQJDWKZRRYKQ-UHFFFAOYSA-N -1 0 319.430 3.771 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595125835 979511580 /nfs/dbraw/zinc/51/15/80/979511580.db2.gz LQNAIELGHJSAGA-QAETUUGQSA-N -1 0 321.461 3.837 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000851599204 979517054 /nfs/dbraw/zinc/51/70/54/979517054.db2.gz LXJCPVBUBJOJGG-KRWDZBQOSA-N -1 0 309.381 3.906 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001595126637 979519995 /nfs/dbraw/zinc/51/99/95/979519995.db2.gz XAJUHDLHRODQHZ-ZBFHGGJFSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595126743 979521887 /nfs/dbraw/zinc/52/18/87/979521887.db2.gz ZQLIRAQABAHLKM-AWEZNQCLSA-N -1 0 315.413 3.880 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)cc1 ZINC000851606416 979531017 /nfs/dbraw/zinc/53/10/17/979531017.db2.gz OWIBMZFADFJKSV-GLQYFDAESA-N -1 0 323.820 3.545 20 0 DHADRM CCCC1CCC(N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851608247 979534633 /nfs/dbraw/zinc/53/46/33/979534633.db2.gz DHDSPTLLLNPIKB-BENRWUELSA-N -1 0 319.401 3.808 20 0 DHADRM C[C@H](CSc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001592831886 979560478 /nfs/dbraw/zinc/56/04/78/979560478.db2.gz HXNDUVFGDOIPSY-ZCFIWIBFSA-N -1 0 319.354 3.711 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000852939529 979585511 /nfs/dbraw/zinc/58/55/11/979585511.db2.gz SKAQWJUUIWUUAT-IAGOWNOFSA-N -1 0 317.429 3.722 20 0 DHADRM Cc1cc(NC(=O)NCC2(C(=O)[O-])CC2)ccc1-c1ccccc1 ZINC000853094287 979601786 /nfs/dbraw/zinc/60/17/86/979601786.db2.gz AKSYUWHILULXLA-UHFFFAOYSA-N -1 0 324.380 3.648 20 0 DHADRM CO[C@@H](CSc1ncc(C)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000581143592 1014590467 /nfs/dbraw/zinc/59/04/67/1014590467.db2.gz XQFXJKOGDGTZQN-LBPRGKRZSA-N -1 0 310.806 3.624 20 0 DHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])s1)CC(F)(F)F ZINC001595152891 979649203 /nfs/dbraw/zinc/64/92/03/979649203.db2.gz QLWZWXLXGAIMFW-ZETCQYMHSA-N -1 0 324.324 3.546 20 0 DHADRM CC(C)[C@H]1C[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CS1 ZINC000859819898 979653347 /nfs/dbraw/zinc/65/33/47/979653347.db2.gz JCNHXQHRLLQFAG-IAQYHMDHSA-N -1 0 304.415 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H](F)c2ccccc2)cc1)C(=O)[O-] ZINC001592858861 979677919 /nfs/dbraw/zinc/67/79/19/979677919.db2.gz WIUOMYCHWZKZEJ-MLGOLLRUSA-N -1 0 315.344 3.599 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000864101327 979684629 /nfs/dbraw/zinc/68/46/29/979684629.db2.gz UBRZHRSTKUAVOL-AWEZNQCLSA-N -1 0 315.394 3.732 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1)C(=O)[O-] ZINC001592860055 979687148 /nfs/dbraw/zinc/68/71/48/979687148.db2.gz DPFKNFIFDWPCPR-ZDUSSCGKSA-N -1 0 318.417 3.604 20 0 DHADRM CSCCCCCCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000864117563 979711724 /nfs/dbraw/zinc/71/17/24/979711724.db2.gz NFLTYVSCJUKNGI-UHFFFAOYSA-N -1 0 315.479 3.546 20 0 DHADRM Cc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000864129013 979729398 /nfs/dbraw/zinc/72/93/98/979729398.db2.gz CQKMDVGRVSHNBL-UHFFFAOYSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@@H](Cc1ccc(N[C@@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592876658 979741005 /nfs/dbraw/zinc/74/10/05/979741005.db2.gz BXJOAWPWAZDXEB-IFXJQAMLSA-N -1 0 309.409 3.919 20 0 DHADRM C[C@@H](Cc1ccc(NCc2ncccc2Cl)cc1)C(=O)[O-] ZINC001592876800 979741757 /nfs/dbraw/zinc/74/17/57/979741757.db2.gz CVFWDXCOOJWTGT-NSHDSACASA-N -1 0 304.777 3.610 20 0 DHADRM CC[C@@H](CNc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001595172437 979742100 /nfs/dbraw/zinc/74/21/00/979742100.db2.gz DQRWTBVFOYZMNC-ZDUSSCGKSA-N -1 0 321.380 3.820 20 0 DHADRM C[C@@H](Cc1ccc(NCc2csc(Cl)n2)cc1)C(=O)[O-] ZINC001592877330 979743764 /nfs/dbraw/zinc/74/37/64/979743764.db2.gz JWOSVCVKARHEIQ-VIFPVBQESA-N -1 0 310.806 3.672 20 0 DHADRM C[C@H](Cc1ccc(NC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1)C(=O)[O-] ZINC001592878169 979748713 /nfs/dbraw/zinc/74/87/13/979748713.db2.gz VYIHFFKZCGARIR-WAZAZEMKSA-N -1 0 309.356 3.653 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@H]2CC2CCC2)c1 ZINC000864153668 979764279 /nfs/dbraw/zinc/76/42/79/979764279.db2.gz FXXIPKTYNIMOKO-KIUWMYQTSA-N -1 0 317.385 3.562 20 0 DHADRM CCC[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)C(C)C ZINC000864226557 979913017 /nfs/dbraw/zinc/91/30/17/979913017.db2.gz JUQMZVOTLJVBBF-UONOGXRCSA-N -1 0 303.402 3.664 20 0 DHADRM CCCCS[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228712 979921629 /nfs/dbraw/zinc/92/16/29/979921629.db2.gz FWCSRGACPBTYQY-DZGCQCFKSA-N -1 0 323.458 3.549 20 0 DHADRM CC[C@H](CSC)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595203920 979970180 /nfs/dbraw/zinc/97/01/80/979970180.db2.gz WZTUBAXCMNNVAR-GFCCVEGCSA-N -1 0 324.446 3.607 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595210935 979986831 /nfs/dbraw/zinc/98/68/31/979986831.db2.gz MUBRVFVAZZGYSV-DZGCQCFKSA-N -1 0 318.394 3.686 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595211278 979990885 /nfs/dbraw/zinc/99/08/85/979990885.db2.gz QVBFTPPULUJJNK-OAHLLOKOSA-N -1 0 311.381 3.901 20 0 DHADRM CC(F)(F)C1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001592935922 979998604 /nfs/dbraw/zinc/99/86/04/979998604.db2.gz ODHUQTAANOHPAG-UHFFFAOYSA-N -1 0 321.682 3.551 20 0 DHADRM CC[C@H](Cc1ccccc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595212392 979999996 /nfs/dbraw/zinc/99/99/96/979999996.db2.gz COKFUAKFRCDUMZ-MRXNPFEDSA-N -1 0 317.429 3.549 20 0 DHADRM CC(F)(F)c1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001592944007 980018157 /nfs/dbraw/zinc/01/81/57/980018157.db2.gz UUHRNOZTTAVPBG-UHFFFAOYSA-N -1 0 323.270 3.888 20 0 DHADRM O=C(CCC1CCCC1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000520968082 1014623720 /nfs/dbraw/zinc/62/37/20/1014623720.db2.gz SFNKMWHSBAOUBU-UHFFFAOYSA-N -1 0 307.444 3.597 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C3CCCC3)c2)nc1 ZINC001595237223 980143167 /nfs/dbraw/zinc/14/31/67/980143167.db2.gz WRDKHVCZSWGNDI-UHFFFAOYSA-N -1 0 310.353 3.690 20 0 DHADRM CC[C@](NC(=O)CC(C)=C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238286 980154121 /nfs/dbraw/zinc/15/41/21/980154121.db2.gz IEXALDFYGXSWSA-QGZVFWFLSA-N -1 0 323.820 3.893 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000899295653 980225510 /nfs/dbraw/zinc/22/55/10/980225510.db2.gz PJHMEIAARSWFMK-DLKVLKDVSA-N -1 0 301.386 3.640 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000899538030 980229461 /nfs/dbraw/zinc/22/94/61/980229461.db2.gz FTPQKQHXPGSBQS-ZDUSSCGKSA-N -1 0 319.401 3.654 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccnn2C2CCC2)cc1 ZINC000900037013 980238811 /nfs/dbraw/zinc/23/88/11/980238811.db2.gz FWSBXOXELMCRQL-UHFFFAOYSA-N -1 0 313.401 3.582 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C1CCCC1 ZINC001595256869 980240610 /nfs/dbraw/zinc/24/06/10/980240610.db2.gz JNRSAMMPJSAKJT-OAHLLOKOSA-N -1 0 304.390 3.784 20 0 DHADRM CC[C@](NC(=O)O[C@@H](C)CC(C)C)(C(=O)[O-])c1ccccc1 ZINC001595258474 980255540 /nfs/dbraw/zinc/25/55/40/980255540.db2.gz QJRMBOIFJHNVKO-SUMWQHHRSA-N -1 0 307.390 3.537 20 0 DHADRM CC[C@H](N[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278739 980313311 /nfs/dbraw/zinc/31/33/11/980313311.db2.gz IFZWJHQGEBJLFV-QWRGUYRKSA-N -1 0 308.403 3.853 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccncc2Cl)cc1 ZINC000901513830 980329563 /nfs/dbraw/zinc/32/95/63/980329563.db2.gz WBRUYIOBKAIHPG-UHFFFAOYSA-N -1 0 304.777 3.709 20 0 DHADRM CC(C)n1nccc1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000901515972 980332574 /nfs/dbraw/zinc/33/25/74/980332574.db2.gz NZFBYUFRMJLLBK-SFHVURJKSA-N -1 0 323.396 3.533 20 0 DHADRM CC[C@](NC/C(Cl)=C/Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595289279 980377736 /nfs/dbraw/zinc/37/77/36/980377736.db2.gz IECWYHATPJEZLE-LWMSPQMPSA-N -1 0 322.619 3.939 20 0 DHADRM CC(C)c1cnc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000901564611 980383597 /nfs/dbraw/zinc/38/35/97/980383597.db2.gz ZUPPPWMQUZUJPU-UHFFFAOYSA-N -1 0 318.442 3.743 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NCc1ncc(C(C)C)s1 ZINC000901643376 980422164 /nfs/dbraw/zinc/42/21/64/980422164.db2.gz YGAKYVCUYMZLSK-UHFFFAOYSA-N -1 0 306.387 3.585 20 0 DHADRM C[C@H](Cc1ccc(NC2CC(OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000901733248 980470124 /nfs/dbraw/zinc/47/01/24/980470124.db2.gz KYAQAVPERVQCTJ-UWTIGNOOSA-N -1 0 305.418 3.708 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000901813228 980534023 /nfs/dbraw/zinc/53/40/23/980534023.db2.gz CETXWHUJIVZITG-LBPRGKRZSA-N -1 0 316.376 3.692 20 0 DHADRM COc1cc(C)c(CNc2cccc([C@@H](C)C(=O)[O-])c2)c(C)n1 ZINC000901817960 980537765 /nfs/dbraw/zinc/53/77/65/980537765.db2.gz UQEGATQGBSUXSP-GFCCVEGCSA-N -1 0 314.385 3.507 20 0 DHADRM CC[C@H](OC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595335859 980590231 /nfs/dbraw/zinc/59/02/31/980590231.db2.gz GJCYAZFOFPOLMN-LAUAKBEESA-N -1 0 316.275 3.515 20 0 DHADRM CC[C@@H](OC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595336131 980591902 /nfs/dbraw/zinc/59/19/02/980591902.db2.gz HAIPEWKQPRIJQP-JLVNDZCYSA-N -1 0 316.275 3.515 20 0 DHADRM CC[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccccc1 ZINC001595337804 980601954 /nfs/dbraw/zinc/60/19/54/980601954.db2.gz SYAIBKFKFRIKQT-FUHIMQAGSA-N -1 0 324.376 3.939 20 0 DHADRM CC[C@H](OC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595338111 980604168 /nfs/dbraw/zinc/60/41/68/980604168.db2.gz SWBJFFQINLKBRQ-CABZTGNLSA-N -1 0 318.291 3.605 20 0 DHADRM CC[C@@H](OC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595338113 980604279 /nfs/dbraw/zinc/60/42/79/980604279.db2.gz SWBJFFQINLKBRQ-JOYOIKCWSA-N -1 0 318.291 3.605 20 0 DHADRM CC(C)(C)[C@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000901944376 980643372 /nfs/dbraw/zinc/64/33/72/980643372.db2.gz JGNZUFKGGORLMM-YYIAUSFCSA-N -1 0 317.429 3.880 20 0 DHADRM O=C([O-])CN(Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000901974239 980656058 /nfs/dbraw/zinc/65/60/58/980656058.db2.gz AIJDMXQPIGCOHF-UHFFFAOYSA-N -1 0 322.817 3.513 20 0 DHADRM CC[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C)cc1 ZINC001595352085 980664997 /nfs/dbraw/zinc/66/49/97/980664997.db2.gz RMOFSNVXSILBHR-QGZVFWFLSA-N -1 0 312.365 3.930 20 0 DHADRM CC[C@@H](OCCn1nc(C(=O)[O-])c(Cl)c1C)c1ccccc1 ZINC001595356690 980715311 /nfs/dbraw/zinc/71/53/11/980715311.db2.gz NMQXJGITNSVJRQ-CYBMUJFWSA-N -1 0 322.792 3.711 20 0 DHADRM O=C([O-])CC1CCC(Nc2ccccc2N2CCCC2)CC1 ZINC000902067301 980718893 /nfs/dbraw/zinc/71/88/93/980718893.db2.gz VTIXDGXKKCIKNA-UHFFFAOYSA-N -1 0 302.418 3.732 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595359183 980739162 /nfs/dbraw/zinc/73/91/62/980739162.db2.gz QZDSWXFZZKWKLW-GFCCVEGCSA-N -1 0 321.423 3.956 20 0 DHADRM CCOc1cc(NCc2cc(C(=O)[O-])c(CC)o2)ccc1OC ZINC000902110890 980739424 /nfs/dbraw/zinc/73/94/24/980739424.db2.gz APUHDXOAPNJLLN-UHFFFAOYSA-N -1 0 319.357 3.560 20 0 DHADRM CCCCN(Cc1ccc(/C=C/C(=O)[O-])o1)CC(F)(F)F ZINC000902142584 980754753 /nfs/dbraw/zinc/75/47/53/980754753.db2.gz XDNFNHWLLGBEKA-VOTSOKGWSA-N -1 0 305.296 3.542 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OC(F)F)c(F)c1 ZINC000902144988 980756233 /nfs/dbraw/zinc/75/62/33/980756233.db2.gz LUYMRGMMEANYLD-LNLATYFQSA-N -1 0 317.307 3.728 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1(F)CCCCC1 ZINC001595361768 980764968 /nfs/dbraw/zinc/76/49/68/980764968.db2.gz OBZZHTMWJQYJPO-HNNXBMFYSA-N -1 0 321.392 3.723 20 0 DHADRM O=C([O-])c1csc(CNc2cccc(COCC3CC3)c2)c1 ZINC000902180942 980771840 /nfs/dbraw/zinc/77/18/40/980771840.db2.gz BWURMYMVCHOOBS-UHFFFAOYSA-N -1 0 317.410 3.985 20 0 DHADRM CC(C)(CCNc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000902191612 980777177 /nfs/dbraw/zinc/77/71/77/980777177.db2.gz SXKINBRECXYRBX-UHFFFAOYSA-N -1 0 305.296 3.541 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cnn(C(C)C)c1 ZINC001595363202 980778844 /nfs/dbraw/zinc/77/88/44/980778844.db2.gz XZMORYMNOPGJQP-KRWDZBQOSA-N -1 0 315.417 3.502 20 0 DHADRM CCc1oc(CN[C@](C)(CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902294298 980821088 /nfs/dbraw/zinc/82/10/88/980821088.db2.gz XGNKNOSMXLMOON-MRXNPFEDSA-N -1 0 322.430 3.720 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000902294398 980821444 /nfs/dbraw/zinc/82/14/44/980821444.db2.gz FHYBZRPAOJAROZ-CZUORRHYSA-N -1 0 321.417 3.546 20 0 DHADRM CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC001595368335 980825240 /nfs/dbraw/zinc/82/52/40/980825240.db2.gz ALFJBDDKRAQYAW-UHFFFAOYSA-N -1 0 312.312 3.896 20 0 DHADRM CCC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001595368573 980828866 /nfs/dbraw/zinc/82/88/66/980828866.db2.gz KHDDBTZXTUNCAR-OAHLLOKOSA-N -1 0 302.370 3.886 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001595368749 980830432 /nfs/dbraw/zinc/83/04/32/980830432.db2.gz JFYNRPDNVMSKCD-QGZVFWFLSA-N -1 0 304.390 3.737 20 0 DHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OCC(F)F)cc1 ZINC000902340241 980839967 /nfs/dbraw/zinc/83/99/67/980839967.db2.gz DWTYLEMZYWWAOZ-SUNKGSAMSA-N -1 0 313.344 3.632 20 0 DHADRM O=C([O-])c1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000902435038 980884130 /nfs/dbraw/zinc/88/41/30/980884130.db2.gz ZYBHVYRMFZUHID-ZDUSSCGKSA-N -1 0 321.760 3.635 20 0 DHADRM O=C([O-])c1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000902435037 980884172 /nfs/dbraw/zinc/88/41/72/980884172.db2.gz ZYBHVYRMFZUHID-CYBMUJFWSA-N -1 0 321.760 3.635 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001595374600 980886285 /nfs/dbraw/zinc/88/62/85/980886285.db2.gz KHVWTWJNBPVKAX-UHFFFAOYSA-N -1 0 307.365 3.566 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2ccsc2CC(=O)[O-])CC1 ZINC001595374809 980888147 /nfs/dbraw/zinc/88/81/47/980888147.db2.gz WGLFCFKBXIVOCS-UHFFFAOYSA-N -1 0 323.458 3.808 20 0 DHADRM CCC1(CC)CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001595376061 980902185 /nfs/dbraw/zinc/90/21/85/980902185.db2.gz LDJPKNRRLSVBTH-GXTWGEPZSA-N -1 0 309.356 3.530 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCC1 ZINC001595378694 980914796 /nfs/dbraw/zinc/91/47/96/980914796.db2.gz IFCPTOPMXSNPOS-ZDUSSCGKSA-N -1 0 318.417 3.652 20 0 DHADRM CCC1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001595379105 980916775 /nfs/dbraw/zinc/91/67/75/980916775.db2.gz UPKJMVJQWPMWLH-UHFFFAOYSA-N -1 0 312.369 3.850 20 0 DHADRM CCC1(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCC1 ZINC001595391139 980948649 /nfs/dbraw/zinc/94/86/49/980948649.db2.gz YWSXUERBJJGJFL-UHFFFAOYSA-N -1 0 322.430 3.708 20 0 DHADRM CCC1(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCCC1 ZINC001595391756 980949492 /nfs/dbraw/zinc/94/94/92/980949492.db2.gz CUXVHQRIUAIZAX-UHFFFAOYSA-N -1 0 302.296 3.933 20 0 DHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595404983 980984146 /nfs/dbraw/zinc/98/41/46/980984146.db2.gz NSLJBYQTCGBKSI-BONVTDFDSA-N -1 0 315.373 3.518 20 0 DHADRM CC(C)COC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccco1 ZINC000903676995 981011810 /nfs/dbraw/zinc/01/18/10/981011810.db2.gz JYUCJIRBEBAPEY-CYBMUJFWSA-N -1 0 323.414 3.543 20 0 DHADRM CC[C@H]1CCC[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)CC1 ZINC001595434881 981060703 /nfs/dbraw/zinc/06/07/03/981060703.db2.gz CBYPPGQWTBXDBE-DZGCQCFKSA-N -1 0 315.417 3.892 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595435106 981062757 /nfs/dbraw/zinc/06/27/57/981062757.db2.gz GIOFTDJSEZWHRY-GTNSWQLSSA-N -1 0 307.365 3.987 20 0 DHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595435689 981065612 /nfs/dbraw/zinc/06/56/12/981065612.db2.gz LTBLENDZCHLCLO-WPRPVWTQSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NCc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000904004056 981080266 /nfs/dbraw/zinc/08/02/66/981080266.db2.gz MGMMOWUFPHSTCJ-BLLLJJGKSA-N -1 0 316.401 3.524 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001595441896 981081129 /nfs/dbraw/zinc/08/11/29/981081129.db2.gz VHYTYRYSMFRJAC-WCQYABFASA-N -1 0 324.446 3.705 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595441981 981081471 /nfs/dbraw/zinc/08/14/71/981081471.db2.gz XDLRBDSGLYWYAM-OCCSQVGLSA-N -1 0 304.390 3.723 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001595444549 981089124 /nfs/dbraw/zinc/08/91/24/981089124.db2.gz QYDIIQWFFFHFRZ-RKDXNWHRSA-N -1 0 302.827 3.900 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595449050 981101802 /nfs/dbraw/zinc/10/18/02/981101802.db2.gz YWJKHWHMXNPFOD-LBPRGKRZSA-N -1 0 320.389 3.580 20 0 DHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595452295 981113453 /nfs/dbraw/zinc/11/34/53/981113453.db2.gz HNYGEGTYDJSXKS-GHMZBOCLSA-N -1 0 324.808 3.986 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595456882 981127601 /nfs/dbraw/zinc/12/76/01/981127601.db2.gz SEQJWVFHDWAXIY-CWCIKPCXSA-N -1 0 318.369 3.525 20 0 DHADRM CC[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595459483 981138810 /nfs/dbraw/zinc/13/88/10/981138810.db2.gz WHYAULDYBDAPMH-LBPRGKRZSA-N -1 0 320.389 3.578 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)c1oc(C(=O)[O-])cc1C ZINC001595468429 981162833 /nfs/dbraw/zinc/16/28/33/981162833.db2.gz VVDNISNVSOXXJE-CYBMUJFWSA-N -1 0 313.353 3.658 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)nc1C(=O)[O-] ZINC000907768607 981217266 /nfs/dbraw/zinc/21/72/66/981217266.db2.gz MLDQFGFQJSVVBH-VPOLOUISSA-N -1 0 322.430 3.585 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC001595488136 981235147 /nfs/dbraw/zinc/23/51/47/981235147.db2.gz NICQYKNZOXFRAG-CYBMUJFWSA-N -1 0 315.344 3.702 20 0 DHADRM Cc1cc(Cl)c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000908027879 981254248 /nfs/dbraw/zinc/25/42/48/981254248.db2.gz KVEKMKHVHHIJAD-CYBMUJFWSA-N -1 0 311.809 3.576 20 0 DHADRM CC(C)[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1F ZINC000656487863 1014718699 /nfs/dbraw/zinc/71/86/99/1014718699.db2.gz ZXFAGHDPTZTDIR-INIZCTEOSA-N -1 0 309.381 3.530 20 0 DHADRM CC/C=C(/C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595507285 981288674 /nfs/dbraw/zinc/28/86/74/981288674.db2.gz CADDDWXNZOJCDF-REPPVQDKSA-N -1 0 316.275 3.888 20 0 DHADRM CC(C)CC1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CCC1 ZINC000908337276 981302121 /nfs/dbraw/zinc/30/21/21/981302121.db2.gz ADGDUEUDQZFDNH-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000908367979 981309465 /nfs/dbraw/zinc/30/94/65/981309465.db2.gz UZEONTQPYJBARP-KKBFJZEXSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908687857 981339538 /nfs/dbraw/zinc/33/95/38/981339538.db2.gz OPXYKZFOPNBFKD-UHFFFAOYSA-N -1 0 322.748 3.710 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908688104 981339811 /nfs/dbraw/zinc/33/98/11/981339811.db2.gz VYGVFKXODULJOY-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908698277 981340988 /nfs/dbraw/zinc/34/09/88/981340988.db2.gz JCQYVJZUCKKYGA-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM CCCC(=CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O)CCC ZINC001595522931 981346289 /nfs/dbraw/zinc/34/62/89/981346289.db2.gz ZGEVGWZUOBJFHC-UHFFFAOYSA-N -1 0 305.374 3.864 20 0 DHADRM CCC(CC)CN(CC)C(=O)c1ccccc1CCC(=O)[O-] ZINC000908730550 981349771 /nfs/dbraw/zinc/34/97/71/981349771.db2.gz ZYPJXPXUSDKYJQ-UHFFFAOYSA-N -1 0 305.418 3.602 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000908765680 981357471 /nfs/dbraw/zinc/35/74/71/981357471.db2.gz KAFBEJOQTFLHLN-WCQYABFASA-N -1 0 309.431 3.935 20 0 DHADRM CCCC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001595538469 981392297 /nfs/dbraw/zinc/39/22/97/981392297.db2.gz LWZPSUDOGBHCBO-AWEZNQCLSA-N 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ZINC000909506223 981514751 /nfs/dbraw/zinc/51/47/51/981514751.db2.gz WRGRIXQNRRPQJC-MSOLQXFVSA-N -1 0 323.392 3.836 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccnc1C1CC1 ZINC000909513833 981521593 /nfs/dbraw/zinc/52/15/93/981521593.db2.gz VBZHECXNLKBZEY-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM O=C([O-])c1csc(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000909517191 981523621 /nfs/dbraw/zinc/52/36/21/981523621.db2.gz COZZYFXEEPAICA-UHFFFAOYSA-N -1 0 321.320 3.754 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909519999 981526160 /nfs/dbraw/zinc/52/61/60/981526160.db2.gz LPGRQBWCHLJCOY-ZDUSSCGKSA-N -1 0 314.385 3.585 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595586667 981534480 /nfs/dbraw/zinc/53/44/80/981534480.db2.gz JVBJREJLLCKIBC-MRXNPFEDSA-N -1 0 305.418 3.843 20 0 DHADRM CCC[C@H](CC)S[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595587091 981538887 /nfs/dbraw/zinc/53/88/87/981538887.db2.gz AJVGCVAZRLZKHS-KBPBESRZSA-N -1 0 310.415 3.911 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595587180 981539258 /nfs/dbraw/zinc/53/92/58/981539258.db2.gz DODJGDBUMYDWLA-FVQBIDKESA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001595587442 981541775 /nfs/dbraw/zinc/54/17/75/981541775.db2.gz MRHJCFWMIVYVRH-CQSZACIVSA-N -1 0 319.401 3.820 20 0 DHADRM CCC[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCC1 ZINC001595599495 981572488 /nfs/dbraw/zinc/57/24/88/981572488.db2.gz BUORIXYTIOGXMO-HNNXBMFYSA-N -1 0 307.365 3.613 20 0 DHADRM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc(Cl)c1O ZINC000442858344 1014749948 /nfs/dbraw/zinc/74/99/48/1014749948.db2.gz RUZIYCXRFOGAIG-CMPLNLGQSA-N -1 0 311.809 3.705 20 0 DHADRM CCC[C@H](OC)c1noc(-c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001595612140 981631296 /nfs/dbraw/zinc/63/12/96/981631296.db2.gz ZEEHTOMTNSUBNA-NSHDSACASA-N -1 0 310.737 3.576 20 0 DHADRM CCC[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC001595615163 981634609 /nfs/dbraw/zinc/63/46/09/981634609.db2.gz JGSGDLQUSCKBTR-CQSZACIVSA-N -1 0 318.373 3.887 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC001594747568 981638869 /nfs/dbraw/zinc/63/88/69/981638869.db2.gz LIAIGJFIQGNVRY-IAGOWNOFSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])CN(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CCC1 ZINC000656506182 1014751919 /nfs/dbraw/zinc/75/19/19/1014751919.db2.gz KMKALNJOIDRWRR-UHFFFAOYSA-N -1 0 314.385 3.507 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCC=CCCC2)c1 ZINC000909830537 981647885 /nfs/dbraw/zinc/64/78/85/981647885.db2.gz LJKYEBWPEFRLLW-ZIAGYGMSSA-N -1 0 301.386 3.950 20 0 DHADRM CCCC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001595617170 981650439 /nfs/dbraw/zinc/65/04/39/981650439.db2.gz RMOCLCKBHDAPAY-LSDHHAIUSA-N -1 0 316.401 3.577 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC000909835607 981655090 /nfs/dbraw/zinc/65/50/90/981655090.db2.gz UHMFLOISTARDBW-LBPRGKRZSA-N -1 0 312.369 3.645 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595620138 981685752 /nfs/dbraw/zinc/68/57/52/981685752.db2.gz XQTUVNQHAOWAIM-BXUZGUMPSA-N -1 0 319.405 3.521 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595620140 981685960 /nfs/dbraw/zinc/68/59/60/981685960.db2.gz XQTUVNQHAOWAIM-RISCZKNCSA-N -1 0 319.405 3.521 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001594761911 981694978 /nfs/dbraw/zinc/69/49/78/981694978.db2.gz JVNKFQVQNYHAIH-CYBMUJFWSA-N -1 0 317.316 3.667 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC001594762174 981697911 /nfs/dbraw/zinc/69/79/11/981697911.db2.gz SEARZLONFBEMAB-CQSZACIVSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595621981 981705210 /nfs/dbraw/zinc/70/52/10/981705210.db2.gz DCQJAIVZACVMRG-ZDUSSCGKSA-N -1 0 320.389 3.580 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595622409 981709486 /nfs/dbraw/zinc/70/94/86/981709486.db2.gz SQYOPSUFTPSJSS-GKVPXEHWSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001594775469 981759228 /nfs/dbraw/zinc/75/92/28/981759228.db2.gz RXQGBGIAXCLWCT-UONOGXRCSA-N -1 0 322.357 3.750 20 0 DHADRM CC[C@@H](C(=O)[O-])c1nnc(-c2cc3c(s2)CCCCC3)o1 ZINC001594776010 981763406 /nfs/dbraw/zinc/76/34/06/981763406.db2.gz YPOXRFGAEQXUPB-SNVBAGLBSA-N -1 0 306.387 3.645 20 0 DHADRM CC[C@@H](C(=O)OCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594776291 981766545 /nfs/dbraw/zinc/76/65/45/981766545.db2.gz WCKAVJGODBBQQI-GFCCVEGCSA-N -1 0 318.291 3.607 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001594780902 981786105 /nfs/dbraw/zinc/78/61/05/981786105.db2.gz IXSBFILZVVHWEK-YJBOKZPZSA-N -1 0 307.434 3.615 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)CC ZINC000910233540 981797519 /nfs/dbraw/zinc/79/75/19/981797519.db2.gz OEIPZMJUYMRNBG-YWLSJMHRSA-N -1 0 321.348 3.529 20 0 DHADRM CCCC[C@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595630703 981824452 /nfs/dbraw/zinc/82/44/52/981824452.db2.gz OCEBKFHXLHAXCA-ZDUSSCGKSA-N -1 0 303.402 3.880 20 0 DHADRM O=C([O-])Cc1occc1C(=O)NC1CCC2(CCCCC2)CC1 ZINC000910252574 981827542 /nfs/dbraw/zinc/82/75/42/981827542.db2.gz GQDAEOWFDJYQQG-UHFFFAOYSA-N -1 0 319.401 3.530 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595632599 981857537 /nfs/dbraw/zinc/85/75/37/981857537.db2.gz KMZCRKQBHCYPRS-GUYCJALGSA-N -1 0 321.417 3.544 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595632718 981860216 /nfs/dbraw/zinc/86/02/16/981860216.db2.gz OFEAYFNZNGRJGT-LBPRGKRZSA-N -1 0 309.381 3.860 20 0 DHADRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001595632848 981860874 /nfs/dbraw/zinc/86/08/74/981860874.db2.gz TUVCODVCNKMQMF-NSHDSACASA-N -1 0 323.389 3.644 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595632916 981861856 /nfs/dbraw/zinc/86/18/56/981861856.db2.gz VSFBBPGZXYQRBI-CYBMUJFWSA-N -1 0 324.421 3.692 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001594796676 981879640 /nfs/dbraw/zinc/87/96/40/981879640.db2.gz IAZFVCPBMUPSGA-MLBPIDQTSA-N -1 0 323.477 3.798 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594796732 981880632 /nfs/dbraw/zinc/88/06/32/981880632.db2.gz JPNKCHOJBOBORF-URGYJCLVSA-N -1 0 324.465 3.534 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594807979 981914089 /nfs/dbraw/zinc/91/40/89/981914089.db2.gz FLPJBWUAKGEEAO-QGZVFWFLSA-N -1 0 313.397 3.908 20 0 DHADRM CCCC[C@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001595636403 981916588 /nfs/dbraw/zinc/91/65/88/981916588.db2.gz PWSPSWNWTCCENT-JTQLQIEISA-N -1 0 322.163 3.506 20 0 DHADRM CCCC[C@@H](NC(=O)c1ccccc1CC(C)(C)C)C(=O)[O-] ZINC001595636918 981923832 /nfs/dbraw/zinc/92/38/32/981923832.db2.gz ARMFRIOTHAQIMJ-OAHLLOKOSA-N -1 0 305.418 3.648 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594815960 981947721 /nfs/dbraw/zinc/94/77/21/981947721.db2.gz XBQRJNFMYHDSEQ-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000313226820 1014783258 /nfs/dbraw/zinc/78/32/58/1014783258.db2.gz ZVHCOJNFLXBBIB-UHFFFAOYSA-N -1 0 311.403 3.657 20 0 DHADRM CSc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313226575 1014783889 /nfs/dbraw/zinc/78/38/89/1014783889.db2.gz ZAZRUMDLNNXBFY-UHFFFAOYSA-N -1 0 311.403 3.657 20 0 DHADRM CCCC[C@H](Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1)C(=O)[O-] ZINC001595642413 981972508 /nfs/dbraw/zinc/97/25/08/981972508.db2.gz PWAXXFMFCZOQLS-OAUYIBNBSA-N -1 0 318.417 3.503 20 0 DHADRM CCCC[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC001595644733 981980763 /nfs/dbraw/zinc/98/07/63/981980763.db2.gz INYWEFYFCVGSGU-INIZCTEOSA-N -1 0 313.353 3.549 20 0 DHADRM CCCC[C@@H](S[C@@H](C)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC001595651508 982021971 /nfs/dbraw/zinc/02/19/71/982021971.db2.gz HAULEAZLLZHCAV-JOYOIKCWSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@H](OC(=O)c1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC001595651529 982023546 /nfs/dbraw/zinc/02/35/46/982023546.db2.gz HHWWFSMCRNSCEB-LBPRGKRZSA-N -1 0 323.370 3.512 20 0 DHADRM CCCC[C@@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] ZINC001595652099 982030696 /nfs/dbraw/zinc/03/06/96/982030696.db2.gz ZHTSJYFXXKSIKE-CYBMUJFWSA-N -1 0 323.776 3.550 20 0 DHADRM CC(C)c1cnc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000910635881 982035277 /nfs/dbraw/zinc/03/52/77/982035277.db2.gz LOERNUFDOMPGPV-UHFFFAOYSA-N -1 0 322.430 3.630 20 0 DHADRM CCCC[C@H](SC[C@H](O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595656414 982053080 /nfs/dbraw/zinc/05/30/80/982053080.db2.gz YDXOOGWRLYWSCV-STQMWFEESA-N -1 0 302.823 3.750 20 0 DHADRM CCCCC1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC001595657181 982059786 /nfs/dbraw/zinc/05/97/86/982059786.db2.gz LRCNPQAWWSHTNO-UHFFFAOYSA-N -1 0 319.401 3.839 20 0 DHADRM CCCC[C@H](SCc1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001595657849 982066706 /nfs/dbraw/zinc/06/67/06/982066706.db2.gz TZNXOCXXEMNKIT-LBPRGKRZSA-N -1 0 306.387 3.613 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1F ZINC000313234671 1014799438 /nfs/dbraw/zinc/79/94/38/1014799438.db2.gz GDWSWWBIEMHKHD-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595666264 982098144 /nfs/dbraw/zinc/09/81/44/982098144.db2.gz HKQBPTDOHATKRH-KRWDZBQOSA-N -1 0 323.437 3.638 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910738220 982098787 /nfs/dbraw/zinc/09/87/87/982098787.db2.gz XTRPLXGYUUBQMN-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM CCCCC[C@@H](CC)C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595668561 982110314 /nfs/dbraw/zinc/11/03/14/982110314.db2.gz BDOKRYYWIPJEFG-LLVKDONJSA-N -1 0 313.419 3.799 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595669406 982113154 /nfs/dbraw/zinc/11/31/54/982113154.db2.gz HQAQSZUOYQKIEN-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-] ZINC001595680672 982156753 /nfs/dbraw/zinc/15/67/53/982156753.db2.gz FZZOPRQFCIUQSM-ZDUSSCGKSA-N -1 0 311.809 3.720 20 0 DHADRM CCCCC[C@@H](Nc1cnc2cc(Cl)ccc2n1)C(=O)[O-] ZINC001595686527 982175607 /nfs/dbraw/zinc/17/56/07/982175607.db2.gz CFKDXBUJSOIMPL-GFCCVEGCSA-N -1 0 307.781 3.729 20 0 DHADRM CCCCC[C@H](Nc1nc(-c2ccccc2C)ns1)C(=O)[O-] ZINC001595687263 982178695 /nfs/dbraw/zinc/17/86/95/982178695.db2.gz OJBWRNCTUBGFAA-ZDUSSCGKSA-N -1 0 319.430 3.959 20 0 DHADRM CC[C@H](C)[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001594873415 982193373 /nfs/dbraw/zinc/19/33/73/982193373.db2.gz MMBNULMSAYPNTG-LRDDRELGSA-N -1 0 316.353 3.851 20 0 DHADRM CCCCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595690716 982200701 /nfs/dbraw/zinc/20/07/01/982200701.db2.gz UFHHQXCBUCFTOV-HOTGVXAUSA-N -1 0 303.402 3.774 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594874454 982202566 /nfs/dbraw/zinc/20/25/66/982202566.db2.gz WWUFCQDSMOFCRV-KBPBESRZSA-N -1 0 305.418 3.561 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594874686 982203183 /nfs/dbraw/zinc/20/31/83/982203183.db2.gz WWUFCQDSMOFCRV-UONOGXRCSA-N -1 0 305.418 3.561 20 0 DHADRM CCCCCCC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595695342 982217971 /nfs/dbraw/zinc/21/79/71/982217971.db2.gz SXFVYOJCFARPAW-SFHVURJKSA-N -1 0 305.418 3.506 20 0 DHADRM CCCCCC[C@H](C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595695546 982219416 /nfs/dbraw/zinc/21/94/16/982219416.db2.gz WWCZVIKQUYWILT-ZDUSSCGKSA-N -1 0 309.381 3.850 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)CC1(C)C ZINC000911061896 982220806 /nfs/dbraw/zinc/22/08/06/982220806.db2.gz KSEFGDCINPGFHF-OAHLLOKOSA-N -1 0 317.429 3.672 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595710142 982293804 /nfs/dbraw/zinc/29/38/04/982293804.db2.gz DTKJDERQLZPKSF-ZDUSSCGKSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCCO[C@@H](C)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595711124 982297500 /nfs/dbraw/zinc/29/75/00/982297500.db2.gz POAGYPXOFBGWTI-JTQLQIEISA-N -1 0 308.334 3.686 20 0 DHADRM CCCCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595720980 982333897 /nfs/dbraw/zinc/33/38/97/982333897.db2.gz CUQCYKAVGKHATL-UHFFFAOYSA-N -1 0 306.387 3.911 20 0 DHADRM CCSc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000911387226 982411256 /nfs/dbraw/zinc/41/12/56/982411256.db2.gz PAWAVECMXQKJJW-UHFFFAOYSA-N -1 0 319.426 3.772 20 0 DHADRM Cc1cc(Nc2ncccc2Br)ccc1C(=O)[O-] ZINC000706980444 1014840425 /nfs/dbraw/zinc/84/04/25/1014840425.db2.gz JNCQPHVNPDDWRK-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CCCCO[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001595766026 982495165 /nfs/dbraw/zinc/49/51/65/982495165.db2.gz WHNZBEZLFCKPMT-LBPRGKRZSA-N -1 0 307.390 3.652 20 0 DHADRM CCCCOc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cn1 ZINC001595780494 982548897 /nfs/dbraw/zinc/54/88/97/982548897.db2.gz CKXWYMTVORAPJD-KCQAQPDRSA-N -1 0 306.406 3.562 20 0 DHADRM CCCCSCC(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001595789015 982586740 /nfs/dbraw/zinc/58/67/40/982586740.db2.gz JDOGXMICALPHFO-UHFFFAOYSA-N -1 0 321.442 3.804 20 0 DHADRM CCCCSCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595789368 982588560 /nfs/dbraw/zinc/58/85/60/982588560.db2.gz YAEYABXEZUAUFS-UHFFFAOYSA-N -1 0 319.785 3.649 20 0 DHADRM CCCCc1ccc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001595793377 982595816 /nfs/dbraw/zinc/59/58/16/982595816.db2.gz HASRSTPZQVVUOI-UHFFFAOYSA-N -1 0 315.369 3.559 20 0 DHADRM CCCCc1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001595793760 982596386 /nfs/dbraw/zinc/59/63/86/982596386.db2.gz LGRBFJHBWPFPAU-UHFFFAOYSA-N -1 0 315.413 3.641 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-] ZINC001594939966 982611957 /nfs/dbraw/zinc/61/19/57/982611957.db2.gz WMWAHBDICXSUKS-OFQRWUPVSA-N -1 0 305.418 3.576 20 0 DHADRM CCCCn1c(C)c(C)nc1SC[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001595803184 982623114 /nfs/dbraw/zinc/62/31/14/982623114.db2.gz OSFDLHVKASTNOG-CYBMUJFWSA-N -1 0 324.446 3.540 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(SC2CC2)cc1)C(=O)[O-] ZINC001594945925 982636737 /nfs/dbraw/zinc/63/67/37/982636737.db2.gz JOLYZQNMJBEMCI-ABAIWWIYSA-N -1 0 321.442 3.560 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594946940 982645106 /nfs/dbraw/zinc/64/51/06/982645106.db2.gz UTWBEYNEUHRPKY-XJKSGUPXSA-N -1 0 305.418 3.504 20 0 DHADRM CCCN(C(=O)C[C@@H](c1ccccc1)C(C)C)[C@@H](C)C(=O)[O-] ZINC001595815740 982666851 /nfs/dbraw/zinc/66/68/51/982666851.db2.gz BRLCGXLDGVJVRZ-GOEBONIOSA-N -1 0 305.418 3.528 20 0 DHADRM CC[C@H](C)CCC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001594952483 982670155 /nfs/dbraw/zinc/67/01/55/982670155.db2.gz JDSGHWLUZZUCEO-HNNXBMFYSA-N -1 0 305.418 3.706 20 0 DHADRM CC[C@H](C)C[C@@H](Nc1cc(C2CC2)nc(C2CC2)n1)C(=O)[O-] ZINC001594953454 982679863 /nfs/dbraw/zinc/67/98/63/982679863.db2.gz SUHOKAHRKGUOTN-IINYFYTJSA-N -1 0 303.406 3.533 20 0 DHADRM C[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC000920819762 982692925 /nfs/dbraw/zinc/69/29/25/982692925.db2.gz YOSVERYYNMZOIW-SECBINFHSA-N -1 0 303.383 3.974 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001594958654 982700043 /nfs/dbraw/zinc/70/00/43/982700043.db2.gz FBQBMICFLCFBSI-DYVFJYSZSA-N -1 0 317.429 3.944 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001594959096 982703893 /nfs/dbraw/zinc/70/38/93/982703893.db2.gz KWOUAPWUUZINME-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001594959342 982705616 /nfs/dbraw/zinc/70/56/16/982705616.db2.gz RMGIQRUQQVKRQK-PBHICJAKSA-N -1 0 319.445 3.886 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594959300 982705814 /nfs/dbraw/zinc/70/58/14/982705814.db2.gz QHNMJXKQJCJTBR-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CC[C@H](C)CCCCC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594959552 982707699 /nfs/dbraw/zinc/70/76/99/982707699.db2.gz XVDLJIHWLJXJAR-LBPRGKRZSA-N -1 0 309.381 3.747 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001594959509 982707860 /nfs/dbraw/zinc/70/78/60/982707860.db2.gz WDZIWGZEQAVIET-YOEHRIQHSA-N -1 0 317.429 3.631 20 0 DHADRM CC[C@H](C)CCNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001594959628 982708694 /nfs/dbraw/zinc/70/86/94/982708694.db2.gz ZRUMZELTJBNYJR-LBPRGKRZSA-N -1 0 322.405 3.730 20 0 DHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC000923094897 982719679 /nfs/dbraw/zinc/71/96/79/982719679.db2.gz RDNGIZFZLREFHC-SECBINFHSA-N -1 0 319.382 3.506 20 0 DHADRM CCCCC1(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000923098934 982723138 /nfs/dbraw/zinc/72/31/38/982723138.db2.gz SXVPDWOYAAAUQK-LLVKDONJSA-N -1 0 323.364 3.587 20 0 DHADRM CC(C)CCCCCC(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118401 982737400 /nfs/dbraw/zinc/73/74/00/982737400.db2.gz CVGYFMADUKTYJZ-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001594975434 982749660 /nfs/dbraw/zinc/74/96/60/982749660.db2.gz IPGITHOKZOUICZ-CABCVRRESA-N -1 0 319.445 3.700 20 0 DHADRM CCCN(C)c1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001595839924 982757938 /nfs/dbraw/zinc/75/79/38/982757938.db2.gz KUBCSPQKTZBTGF-UHFFFAOYSA-N -1 0 318.398 3.545 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@H](c2cc(C)ccc2C)C(C(=O)[O-])=C1C ZINC001594985380 982799850 /nfs/dbraw/zinc/79/98/50/982799850.db2.gz OLQNRCPZRDOYEE-BLLLJJGKSA-N -1 0 316.401 3.527 20 0 DHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001595008622 982929297 /nfs/dbraw/zinc/92/92/97/982929297.db2.gz PMZBHVOIGUOPPP-LLVKDONJSA-N -1 0 317.341 3.716 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595009577 982935525 /nfs/dbraw/zinc/93/55/25/982935525.db2.gz JHTQWZRVJMPPIS-IYJAJMOOSA-N -1 0 317.429 3.963 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001595013431 982947480 /nfs/dbraw/zinc/94/74/80/982947480.db2.gz IWAMVTOCUZLJSC-UMVBOHGHSA-N -1 0 318.417 3.775 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001595013404 982947715 /nfs/dbraw/zinc/94/77/15/982947715.db2.gz IHSHMSFGHJOFTL-SJKOYZFVSA-N -1 0 304.390 3.529 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001595014193 982950373 /nfs/dbraw/zinc/95/03/73/982950373.db2.gz PDFJXESAPFPXQA-NSHDSACASA-N -1 0 316.357 3.813 20 0 DHADRM CCCNC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001595926079 983048643 /nfs/dbraw/zinc/04/86/43/983048643.db2.gz TXWTYGCFAJSAOG-UHFFFAOYSA-N -1 0 318.398 3.953 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909502822 1014912060 /nfs/dbraw/zinc/91/20/60/1014912060.db2.gz GJVPDHSSWOSCJK-GLKRBJQHSA-N -1 0 324.446 3.543 20 0 DHADRM CCCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001595967317 983178957 /nfs/dbraw/zinc/17/89/57/983178957.db2.gz MOBCAVPPJJKXTH-AWEZNQCLSA-N -1 0 320.366 3.520 20 0 DHADRM CCCOc1cccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001595968681 983184873 /nfs/dbraw/zinc/18/48/73/983184873.db2.gz GODSNGDBXVKKKH-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM CCCSc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)n1 ZINC001595987423 983238768 /nfs/dbraw/zinc/23/87/68/983238768.db2.gz GFOAXVSDYPWKEO-RWMBFGLXSA-N -1 0 308.447 3.885 20 0 DHADRM CCCSc1ccc(COC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001595987616 983239463 /nfs/dbraw/zinc/23/94/63/983239463.db2.gz LCMLSDZFFJBFPQ-UHFFFAOYSA-N -1 0 320.366 3.837 20 0 DHADRM CCCc1c(C(=O)NC2CCCCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036257 983312748 /nfs/dbraw/zinc/31/27/48/983312748.db2.gz HHNPCCFYASSQIU-UHFFFAOYSA-N -1 0 320.433 3.817 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)CCC3)CCCC1 ZINC000314706555 1014935174 /nfs/dbraw/zinc/93/51/74/1014935174.db2.gz BAJXDCRMSJLOLP-UHFFFAOYSA-N -1 0 301.386 3.539 20 0 DHADRM CCCc1cc(C(=O)NC(C)(C)CCC(=O)[O-])ccc1Cl ZINC001596053244 983354409 /nfs/dbraw/zinc/35/44/09/983354409.db2.gz MXGMQJBMAMJKFS-UHFFFAOYSA-N -1 0 311.809 3.666 20 0 DHADRM CCCc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)sc1C ZINC001596056946 983362063 /nfs/dbraw/zinc/36/20/63/983362063.db2.gz OADIPAVKEZJRED-UHFFFAOYSA-N -1 0 318.398 3.663 20 0 DHADRM Cc1c(C(=O)[O-])csc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000581499998 1014939885 /nfs/dbraw/zinc/93/98/85/1014939885.db2.gz ZZJDVQPGCSYFMZ-CQSZACIVSA-N -1 0 318.394 3.727 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])s1 ZINC001596063413 983374640 /nfs/dbraw/zinc/37/46/40/983374640.db2.gz WXENOGULDNIVEO-UHFFFAOYSA-N -1 0 319.382 3.660 20 0 DHADRM CCCc1ccc([C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596063436 983375731 /nfs/dbraw/zinc/37/57/31/983375731.db2.gz YRKBOWBIRSNSKA-BBWFWOEESA-N -1 0 317.429 3.563 20 0 DHADRM CCCc1ccc(COc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596064698 983377463 /nfs/dbraw/zinc/37/74/63/983377463.db2.gz JWQWDNSHWKCZII-UHFFFAOYSA-N -1 0 300.354 3.925 20 0 DHADRM CCCc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001596069195 983383278 /nfs/dbraw/zinc/38/32/78/983383278.db2.gz SOGNZRNSJZGCRJ-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM CCCc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001596070656 983386659 /nfs/dbraw/zinc/38/66/59/983386659.db2.gz RWIMKPJABCQMBF-INIZCTEOSA-N -1 0 318.417 3.794 20 0 DHADRM CCCc1ccccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001596070710 983387221 /nfs/dbraw/zinc/38/72/21/983387221.db2.gz VXEREWLJURFORC-QGZVFWFLSA-N -1 0 317.429 3.793 20 0 DHADRM CCCc1nnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001596094925 983416044 /nfs/dbraw/zinc/41/60/44/983416044.db2.gz AJGWMNCQOOVSCE-LLVKDONJSA-N -1 0 312.778 3.594 20 0 DHADRM CCN(C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C)C(C)(C)C(=O)[O-] ZINC001596133270 983481682 /nfs/dbraw/zinc/48/16/82/983481682.db2.gz ICUSKIAXVVQUKF-ZIAGYGMSSA-N -1 0 317.429 3.688 20 0 DHADRM CCN(C(=O)C[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001596134378 983483698 /nfs/dbraw/zinc/48/36/98/983483698.db2.gz XJDSOTTYBCNKRU-SNVBAGLBSA-N -1 0 317.307 3.559 20 0 DHADRM CCN(C(=O)CC(C)(C)CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001596134476 983483960 /nfs/dbraw/zinc/48/39/60/983483960.db2.gz ZXKIOMXHOBAYBJ-UHFFFAOYSA-N -1 0 321.461 3.695 20 0 DHADRM CCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[C@H](C)C(C)C ZINC001596150280 983509752 /nfs/dbraw/zinc/50/97/52/983509752.db2.gz 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C=COc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1 ZINC001588913953 984556747 /nfs/dbraw/zinc/55/67/47/984556747.db2.gz MKLKJZUNXJFGLL-ZDUSSCGKSA-N -1 0 313.353 3.673 20 0 DHADRM C=Cc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001588919313 984570934 /nfs/dbraw/zinc/57/09/34/984570934.db2.gz HIIDWTKCPDSBRD-UHFFFAOYSA-N -1 0 323.392 3.835 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C)cc1C(=O)[O-])c1cccc(F)c1 ZINC001588943998 984643604 /nfs/dbraw/zinc/64/36/04/984643604.db2.gz LOHCBNOEVVZFMY-FMIVXFBMSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C/C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccccc1 ZINC001588944203 984645707 /nfs/dbraw/zinc/64/57/07/984645707.db2.gz RTCAYAUFBZKHQZ-YFHOEESVSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C/C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001588944504 984648149 /nfs/dbraw/zinc/64/81/49/984648149.db2.gz YGPWITJQHWEHJY-ZWQIMVNMSA-N -1 0 321.376 3.917 20 0 DHADRM C/C(=C/C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1)c1ccco1 ZINC001588947031 984658352 /nfs/dbraw/zinc/65/83/52/984658352.db2.gz UVWRBBBLKUXWSR-CLFYSBASSA-N -1 0 320.370 3.600 20 0 DHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC001599888660 984667927 /nfs/dbraw/zinc/66/79/27/984667927.db2.gz XOMDWMFTINRWGZ-XHDPSFHLSA-N -1 0 318.756 3.813 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001588952953 984690482 /nfs/dbraw/zinc/69/04/82/984690482.db2.gz FZXKCHAAQMXAPY-VAWYXSNFSA-N -1 0 307.365 3.626 20 0 DHADRM C/C(=C/C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588953216 984692881 /nfs/dbraw/zinc/69/28/81/984692881.db2.gz LPQLRIPJERSNDU-BENRWUELSA-N -1 0 314.312 3.671 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599891478 984699306 /nfs/dbraw/zinc/69/93/06/984699306.db2.gz QNOYVAAGSCOHOS-LLVKDONJSA-N -1 0 324.446 3.604 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001588955924 984700605 /nfs/dbraw/zinc/70/06/05/984700605.db2.gz CZZRVGNXBPWBPU-RBNQKSEDSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001588956453 984704564 /nfs/dbraw/zinc/70/45/64/984704564.db2.gz PMMUYUVBDYNJKI-WYMLVPIESA-N -1 0 307.434 3.615 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000191428426 1015064390 /nfs/dbraw/zinc/06/43/90/1015064390.db2.gz YGRLAZVRNJIYRC-SECBINFHSA-N -1 0 323.801 3.917 20 0 DHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(F)c(F)c1 ZINC001599902702 984869826 /nfs/dbraw/zinc/86/98/26/984869826.db2.gz LIVVLGNDPPLMKZ-YFKPBYRVSA-N -1 0 318.732 3.946 20 0 DHADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599904334 984903286 /nfs/dbraw/zinc/90/32/86/984903286.db2.gz HCCAFGZBABKQGK-ZDUSSCGKSA-N -1 0 323.348 3.644 20 0 DHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC001599904914 984908912 /nfs/dbraw/zinc/90/89/12/984908912.db2.gz KHMDRTUJLAQYRI-TZYSRNFLSA-N -1 0 302.370 3.716 20 0 DHADRM Fc1c(Cl)cc(Cl)c(F)c1[N-]c1noc2nccnc12 ZINC001215937742 1015080677 /nfs/dbraw/zinc/08/06/77/1015080677.db2.gz ZZBIATZQHMFDGK-UHFFFAOYSA-N -1 0 317.082 3.946 20 0 DHADRM C[C@H](SCSc1nccc(C(=O)[O-])n1)c1ccccc1 ZINC001599906278 984926782 /nfs/dbraw/zinc/92/67/82/984926782.db2.gz YVSCCJQNDIEJOB-JTQLQIEISA-N -1 0 306.412 3.719 20 0 DHADRM C[C@H](OC(=O)c1ccnc(C2CC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001599906480 984929601 /nfs/dbraw/zinc/92/96/01/984929601.db2.gz IGSJTWOMKPOOCT-NSHDSACASA-N -1 0 311.337 3.575 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001588998054 984932752 /nfs/dbraw/zinc/93/27/52/984932752.db2.gz FZSNIKUDVMNJHI-PKNBQFBNSA-N -1 0 301.367 3.797 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1(C)C ZINC001599907960 984947258 /nfs/dbraw/zinc/94/72/58/984947258.db2.gz JNOMQDVAXRPORV-QABNGEJJSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC001599909362 984964357 /nfs/dbraw/zinc/96/43/57/984964357.db2.gz YZFLHGBTMVYKNO-BPUTZDHNSA-N -1 0 309.450 3.600 20 0 DHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001589022444 985015808 /nfs/dbraw/zinc/01/58/08/985015808.db2.gz AYSPDKUXFWGDHU-OLZOCXBDSA-N -1 0 319.401 3.599 20 0 DHADRM CC(=O)[C@H](C)S[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589023796 985026018 /nfs/dbraw/zinc/02/60/18/985026018.db2.gz WEMGEDLYUORTMT-GZMMTYOYSA-N -1 0 306.305 3.542 20 0 DHADRM CC(=O)[C@@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC001589024241 985032096 /nfs/dbraw/zinc/03/20/96/985032096.db2.gz GZWAGMATBJXKQA-JTQLQIEISA-N -1 0 321.320 3.504 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000656737436 1015107837 /nfs/dbraw/zinc/10/78/37/1015107837.db2.gz GBRYUJRPOGGHKX-UHFFFAOYSA-N -1 0 322.405 3.509 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2ccccc2Cl)c1C1CC1 ZINC000656739429 1015110098 /nfs/dbraw/zinc/11/00/98/1015110098.db2.gz XFIKYQKIQIGQHV-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1)C(=O)[O-] ZINC001594478769 985507655 /nfs/dbraw/zinc/50/76/55/985507655.db2.gz FEXBAWZFHLFSSU-CHWSQXEVSA-N -1 0 318.417 3.602 20 0 DHADRM CC(=O)Nc1ccc(NCc2cc(C(=O)[O-])oc2C)cc1Cl ZINC001589199362 985630121 /nfs/dbraw/zinc/63/01/21/985630121.db2.gz GOGNPGJJJNDGIU-UHFFFAOYSA-N -1 0 322.748 3.510 20 0 DHADRM Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599953158 985644227 /nfs/dbraw/zinc/64/42/27/985644227.db2.gz QJNRWQZVROUCIF-UONOGXRCSA-N -1 0 320.433 3.664 20 0 DHADRM CC(=O)Nc1cccc(N[C@H](C)c2ccc(C(=O)[O-])cc2C)c1 ZINC001589211715 985704659 /nfs/dbraw/zinc/70/46/59/985704659.db2.gz NMSRNKVDOYRXMJ-GFCCVEGCSA-N -1 0 312.369 3.825 20 0 DHADRM CC(=O)c1c(C)cc(OC[C@H]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC001589255438 985893590 /nfs/dbraw/zinc/89/35/90/985893590.db2.gz XNAXKLFHBWDWQA-ZBFHGGJFSA-N -1 0 304.386 3.776 20 0 DHADRM O=C([O-])/C=C\c1cnc(/C=C/c2cccc3cnccc23)s1 ZINC000588423205 1015176967 /nfs/dbraw/zinc/17/69/67/1015176967.db2.gz OJQOVJSXOYQKHD-GUBXDBFYSA-N -1 0 308.362 3.960 20 0 DHADRM Cc1c(C(=O)Nc2c(F)cccc2C(=O)[O-])cnc2ccccc12 ZINC001599983164 986192139 /nfs/dbraw/zinc/19/21/39/986192139.db2.gz CMMJRWRFQWWMJZ-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)[C@H](C)C(C)(C)C ZINC001589341844 986258735 /nfs/dbraw/zinc/25/87/35/986258735.db2.gz CAAYYMCGFFJVGY-GJZGRUSLSA-N -1 0 319.445 3.808 20 0 DHADRM C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589342680 986271536 /nfs/dbraw/zinc/27/15/36/986271536.db2.gz QGBLMBTYWJKZQX-QLFBSQMISA-N -1 0 319.445 3.807 20 0 DHADRM C[C@H]1CSc2ccccc2N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001594612173 986605634 /nfs/dbraw/zinc/60/56/34/986605634.db2.gz CBYSFXSXRANCRH-GFCCVEGCSA-N -1 0 314.410 3.528 20 0 DHADRM CCOc1ccc(CSCCc2ccccc2C(=O)[O-])nc1 ZINC001597105915 986743613 /nfs/dbraw/zinc/74/36/13/986743613.db2.gz XEMNFNTWDUBQCK-UHFFFAOYSA-N -1 0 317.410 3.654 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccsc1 ZINC001589439613 986776867 /nfs/dbraw/zinc/77/68/67/986776867.db2.gz JNOCSTRJGNDAPJ-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccccc1F ZINC001589440039 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C[C@H](C(=O)[O-])c1ccc(-c2ccc(N3CCCC3)nc2)s1 ZINC001589492315 987063345 /nfs/dbraw/zinc/06/33/45/987063345.db2.gz SKKWSNHSDWJSGY-NSHDSACASA-N -1 0 302.399 3.598 20 0 DHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581728590 1015275042 /nfs/dbraw/zinc/27/50/42/1015275042.db2.gz OKGDBJDVAIBPQO-FJBKBRRZSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C\C=C(Cl)Cl)cc1 ZINC001589502350 987104355 /nfs/dbraw/zinc/10/43/55/987104355.db2.gz FMEXNDFDFRHVSJ-MDHMXLOGSA-N -1 0 314.168 3.688 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCC[Si](C)(C)C)cc1 ZINC001589504836 987116273 /nfs/dbraw/zinc/11/62/73/987116273.db2.gz NUAWNFHGGPUPSN-LBPRGKRZSA-N -1 0 307.466 3.932 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC001589509199 987131290 /nfs/dbraw/zinc/13/12/90/987131290.db2.gz ONAAFOKPMWJQFR-OLZOCXBDSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC001589512069 987146239 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319.307 3.544 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)OCC2CCCCC2)C1 ZINC001589611683 987467449 /nfs/dbraw/zinc/46/74/49/987467449.db2.gz SWPGKHNVCVTDPU-CQSZACIVSA-N -1 0 311.422 3.526 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC001597336026 987472660 /nfs/dbraw/zinc/47/26/60/987472660.db2.gz IGWZXAWIBKGTTP-VIFPVBQESA-N -1 0 324.686 3.501 20 0 DHADRM CCc1c2ccccc2oc1C(=O)NC(CC)(CC)CC(=O)[O-] ZINC001597406282 987680904 /nfs/dbraw/zinc/68/09/04/987680904.db2.gz OFIYUAYDHQOLQF-UHFFFAOYSA-N -1 0 317.385 3.759 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-] ZINC001597406739 987686510 /nfs/dbraw/zinc/68/65/10/987686510.db2.gz ZXRNCUAGSPZKFN-RISCZKNCSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1c2ccccc2oc1C(=O)Nc1ccccc1C(=O)[O-] ZINC001597412455 987705888 /nfs/dbraw/zinc/70/58/88/987705888.db2.gz IESRYLCSBNUYBU-UHFFFAOYSA-N -1 0 309.321 3.946 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC(C)(C)C1CCCCC1 ZINC001589701193 987795715 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CSC[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599792873 988040683 /nfs/dbraw/zinc/04/06/83/988040683.db2.gz RZONHVRTOBMTDV-LURJTMIESA-N -1 0 322.213 3.629 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001589751728 988055066 /nfs/dbraw/zinc/05/50/66/988055066.db2.gz QSRFPEABHCEJSE-CYBMUJFWSA-N -1 0 315.369 3.566 20 0 DHADRM CCc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1CC ZINC001597502468 988066863 /nfs/dbraw/zinc/06/68/63/988066863.db2.gz BRMLLNJVWCNQJR-UHFFFAOYSA-N -1 0 303.383 3.823 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000474437284 1015360344 /nfs/dbraw/zinc/36/03/44/1015360344.db2.gz YWJDKJQQGILBNK-UHFFFAOYSA-N -1 0 319.430 3.567 20 0 DHADRM Cn1cnc2ccc(-c3ccc4c(c3)CC[C@]43C[C@H]3C(=O)[O-])cc21 ZINC000581835598 1015361080 /nfs/dbraw/zinc/36/10/80/1015361080.db2.gz FKSONKADZNHMEH-JXFKEZNVSA-N -1 0 318.376 3.529 20 0 DHADRM CSCCCCCCC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599797114 988115099 /nfs/dbraw/zinc/11/50/99/988115099.db2.gz 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/nfs/dbraw/zinc/15/07/73/988150773.db2.gz YPRKDPHONXYWFW-UHFFFAOYSA-N -1 0 319.445 3.848 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)c(F)c(F)c1 ZINC000474450831 1015367355 /nfs/dbraw/zinc/36/73/55/1015367355.db2.gz XHWWBWIOBHGOMN-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM CCc1ccc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001597530050 988179081 /nfs/dbraw/zinc/17/90/81/988179081.db2.gz BQFSHLLUQFSBOG-VBKZILBWSA-N -1 0 324.424 3.611 20 0 DHADRM CCc1ccc(N[C@H](C(=O)[O-])c2cccc(OC)c2)cc1F ZINC001597551771 988277314 /nfs/dbraw/zinc/27/73/14/988277314.db2.gz MSZMACRUGVACPX-INIZCTEOSA-N -1 0 303.333 3.635 20 0 DHADRM CSc1cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)co1 ZINC001599808777 988298603 /nfs/dbraw/zinc/29/86/03/988298603.db2.gz RQFVYIYFGPYZEZ-UHFFFAOYSA-N -1 0 320.366 3.583 20 0 DHADRM CSc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001599810213 988321085 /nfs/dbraw/zinc/32/10/85/988321085.db2.gz LORWZFLELRFZDX-VIFPVBQESA-N -1 0 306.339 3.618 20 0 DHADRM CSc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001599810329 988323668 /nfs/dbraw/zinc/32/36/68/988323668.db2.gz QIOOCSZPIDUTCY-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001599811644 988346542 /nfs/dbraw/zinc/34/65/42/988346542.db2.gz IXTIBXAUCSBXPY-JTQLQIEISA-N -1 0 320.366 3.926 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(Cl)c1 ZINC001597572368 988353784 /nfs/dbraw/zinc/35/37/84/988353784.db2.gz KBCMHRWGMXHVQQ-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CSc1ccc(C)c(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001599812002 988354244 /nfs/dbraw/zinc/35/42/44/988354244.db2.gz DTDGMCXYXIVMRM-NSHDSACASA-N -1 0 302.399 3.983 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccnc1C(F)F ZINC001597590675 988413888 /nfs/dbraw/zinc/41/38/88/988413888.db2.gz CZRMOITVYDVQIW-UHFFFAOYSA-N -1 0 320.295 3.532 20 0 DHADRM CSc1ccc(NC(=O)/C=C/c2ccsc2)cc1C(=O)[O-] ZINC001599815601 988417663 /nfs/dbraw/zinc/41/76/63/988417663.db2.gz DCTDPVHUCLYRAF-GORDUTHDSA-N -1 0 319.407 3.820 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C)cc1F ZINC001597594872 988435474 /nfs/dbraw/zinc/43/54/74/988435474.db2.gz YTVIQIBRFXDAHQ-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001599817086 988445846 /nfs/dbraw/zinc/44/58/46/988445846.db2.gz QMMJDBUYPLLKKE-DCAQKATOSA-N -1 0 322.430 3.615 20 0 DHADRM CSc1ccc(NC(=O)N2CCC(C)=C(C)C2)cc1C(=O)[O-] ZINC001599817981 988461343 /nfs/dbraw/zinc/46/13/43/988461343.db2.gz ZJTYRNNOXVJAJD-UHFFFAOYSA-N -1 0 320.414 3.681 20 0 DHADRM CSc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC001599818423 988469074 /nfs/dbraw/zinc/46/90/74/988469074.db2.gz GFECUYDPHKTNJU-WDEREUQCSA-N -1 0 322.430 3.664 20 0 DHADRM CSc1ccc(NC(=O)c2c[nH]cc2C2CC2)cc1C(=O)[O-] ZINC001599819286 988483963 /nfs/dbraw/zinc/48/39/63/988483963.db2.gz NWXRZBRNKRTHEZ-UHFFFAOYSA-N -1 0 316.382 3.565 20 0 DHADRM CCc1ccccc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597604859 988483968 /nfs/dbraw/zinc/48/39/68/988483968.db2.gz UXTHTFCBNVFLCE-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM CCc1ccccc1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001597609508 988497188 /nfs/dbraw/zinc/49/71/88/988497188.db2.gz PJZZCNPUVRMOJQ-UHFFFAOYSA-N -1 0 324.302 3.973 20 0 DHADRM CCc1ccccc1Cc1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001597612246 988513000 /nfs/dbraw/zinc/51/30/00/988513000.db2.gz VPNYWXWOIYXBSG-CABCVRRESA-N -1 0 314.385 3.581 20 0 DHADRM CSc1cccc(F)c1CN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599822672 988541737 /nfs/dbraw/zinc/54/17/37/988541737.db2.gz WWCLHFVJVDNLCN-SECBINFHSA-N -1 0 309.362 3.690 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000013170035 1015398634 /nfs/dbraw/zinc/39/86/34/1015398634.db2.gz ZGCMOSXMJRXNDH-LBPRGKRZSA-N -1 0 315.394 3.813 20 0 DHADRM CCc1ccnc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001597623077 988567337 /nfs/dbraw/zinc/56/73/37/988567337.db2.gz MHIVRXJBMYZPCL-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CSc1ccccc1CC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599824262 988570117 /nfs/dbraw/zinc/57/01/17/988570117.db2.gz UEBZERCULDTHCP-UHFFFAOYSA-N -1 0 321.423 3.658 20 0 DHADRM CSc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599825230 988586716 /nfs/dbraw/zinc/58/67/16/988586716.db2.gz NFTZUABFLKFZHG-ZDUSSCGKSA-N -1 0 322.430 3.564 20 0 DHADRM CSc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599825229 988587088 /nfs/dbraw/zinc/58/70/88/988587088.db2.gz NFTZUABFLKFZHG-CYBMUJFWSA-N -1 0 322.430 3.564 20 0 DHADRM CSc1ccccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599825218 988587192 /nfs/dbraw/zinc/58/71/92/988587192.db2.gz MELBPRJOYJBAFM-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CCc1nc(C(C)C)ccc1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001597652040 988696868 /nfs/dbraw/zinc/69/68/68/988696868.db2.gz HUTOFFCSEVXPTH-UHFFFAOYSA-N -1 0 321.808 3.672 20 0 DHADRM CCc1nc(CN[C@@H](CC)c2ccc(C(=O)[O-])cc2)cs1 ZINC001597670316 988767274 /nfs/dbraw/zinc/76/72/74/988767274.db2.gz XGRZMZUFQYTMCL-AWEZNQCLSA-N -1 0 304.415 3.645 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC001599840091 988811831 /nfs/dbraw/zinc/81/18/31/988811831.db2.gz CBOPDHAPZJIWJR-GFCCVEGCSA-N -1 0 324.380 3.756 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc2c(c1)CCC2 ZINC001599841132 988832781 /nfs/dbraw/zinc/83/27/81/988832781.db2.gz NHGRALAJUKEFAQ-BDJLRTHQSA-N -1 0 301.411 3.713 20 0 DHADRM CCc1nc(S[C@H](C(=O)[O-])c2cccc(OC)c2)sc1C ZINC001597690408 988870954 /nfs/dbraw/zinc/87/09/54/988870954.db2.gz VEHXIDWYIYHFTN-ZDUSSCGKSA-N -1 0 323.439 3.941 20 0 DHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000581886391 1015455424 /nfs/dbraw/zinc/45/54/24/1015455424.db2.gz BQUZIALKPAPYLL-ZDUSSCGKSA-N -1 0 311.381 3.662 20 0 DHADRM CCc1oc(CN2CCCCc3sccc32)cc1C(=O)[O-] ZINC001597800377 989392401 /nfs/dbraw/zinc/39/24/01/989392401.db2.gz ZNXJSKRMUWVTGX-UHFFFAOYSA-N -1 0 305.399 3.945 20 0 DHADRM CCc1oc(CNc2ccc(C3CCC3)cn2)cc1C(=O)[O-] ZINC001597804643 989407612 /nfs/dbraw/zinc/40/76/12/989407612.db2.gz 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CC(C)(C)c1csc(CNc2cccc(F)c2C(=O)[O-])n1 ZINC001590532846 990145309 /nfs/dbraw/zinc/14/53/09/990145309.db2.gz NFZMYXLPFYPQPR-UHFFFAOYSA-N -1 0 308.378 3.890 20 0 DHADRM CN(C(=O)/C=C\C1CCCCCC1)C1(C(=O)[O-])CCCCC1 ZINC001598007119 990164958 /nfs/dbraw/zinc/16/49/58/990164958.db2.gz WQCXYIMSONEEIU-QXMHVHEDSA-N -1 0 307.434 3.759 20 0 DHADRM CC(C)(c1noc(-c2ccc(C(=O)[O-])nc2)n1)C1=CCCCC1 ZINC001590615043 990285669 /nfs/dbraw/zinc/28/56/69/990285669.db2.gz HDOWBGKJCASULK-UHFFFAOYSA-N -1 0 313.357 3.608 20 0 DHADRM CC(C)(c1noc(-c2csc(C(=O)[O-])n2)n1)C1=CCCCC1 ZINC001590615083 990286446 /nfs/dbraw/zinc/28/64/46/990286446.db2.gz ISQXMANFKMGETR-UHFFFAOYSA-N -1 0 319.386 3.669 20 0 DHADRM CC(C)(CC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1 ZINC001590616826 990294468 /nfs/dbraw/zinc/29/44/68/990294468.db2.gz OLXWFDATCOQTGV-UHFFFAOYSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1cccs1)C1CCCCC1 ZINC001590620821 990298230 /nfs/dbraw/zinc/29/82/30/990298230.db2.gz IRGNTISKTCZAHV-OAHLLOKOSA-N 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/nfs/dbraw/zinc/40/39/96/990403996.db2.gz DXSHIKJZOCZJEP-CABCVRRESA-N -1 0 303.402 3.672 20 0 DHADRM CN(C(=O)c1cccc(-c2ccoc2)c1)c1ccccc1C(=O)[O-] ZINC001598088845 990429533 /nfs/dbraw/zinc/42/95/33/990429533.db2.gz HRBBFAJJHQKXKL-UHFFFAOYSA-N -1 0 321.332 3.921 20 0 DHADRM CC(C)(CNC(=O)N1CCCC2(CCCCC2)CC1)CC(=O)[O-] ZINC001590716626 990478133 /nfs/dbraw/zinc/47/81/33/990478133.db2.gz CZPWBMCHJMENMB-UHFFFAOYSA-N -1 0 324.465 3.633 20 0 DHADRM CC(C)(Cc1cc(-c2ccccc2Br)no1)C(=O)[O-] ZINC001590820628 990656968 /nfs/dbraw/zinc/65/69/68/990656968.db2.gz WNXSDRZLHHIUBK-UHFFFAOYSA-N -1 0 324.174 3.757 20 0 DHADRM CC(C)=C(C)CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590913058 990895057 /nfs/dbraw/zinc/89/50/57/990895057.db2.gz VORCGJLMXDRMKG-UHFFFAOYSA-N -1 0 307.415 3.689 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)NCCCCC2(C(=O)[O-])CCC2)C1(C)C ZINC001590914180 990895810 /nfs/dbraw/zinc/89/58/10/990895810.db2.gz AOXAPYCZRLHWFF-HUUCEWRRSA-N -1 0 321.461 3.766 20 0 DHADRM CC(C)=C[C@H]1[C@H](c2nc(-c3cc(C(=O)[O-])co3)no2)C1(C)C ZINC001590914256 990897064 /nfs/dbraw/zinc/89/70/64/990897064.db2.gz DETFADFERROJQP-CMPLNLGQSA-N -1 0 302.330 3.734 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2sc(C)cc2C(=O)[O-])C1(C)C ZINC001590915030 990900927 /nfs/dbraw/zinc/90/09/27/990900927.db2.gz NTVYSGXQTONBPM-NWDGAFQWSA-N -1 0 307.415 3.932 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2scc(C)c2C(=O)[O-])C1(C)C ZINC001590915282 990902933 /nfs/dbraw/zinc/90/29/33/990902933.db2.gz RKNWBTLLVGBIHD-CMPLNLGQSA-N -1 0 307.415 3.932 20 0 DHADRM COc1cccc2cc(CN3Cc4ccc(C(=O)[O-])cc4C3)oc21 ZINC001599693392 991108026 /nfs/dbraw/zinc/10/80/26/991108026.db2.gz WPNOHHALFREDGE-UHFFFAOYSA-N -1 0 323.348 3.655 20 0 DHADRM CC(C)[C@@H](CC(=O)N(CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590975387 991117468 /nfs/dbraw/zinc/11/74/68/991117468.db2.gz BEYVXHACGMNSSD-QGZVFWFLSA-N -1 0 317.429 3.672 20 0 DHADRM COc1cccc2cc(-c3nc4ccc(C(=O)[O-])cc4n3C)oc21 ZINC001599694058 991118722 /nfs/dbraw/zinc/11/87/22/991118722.db2.gz RPIMEOWRXLSJOS-UHFFFAOYSA-N -1 0 322.320 3.693 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC001590976208 991122617 /nfs/dbraw/zinc/12/26/17/991122617.db2.gz LUVIGNNRXYWHNJ-HZPDHXFCSA-N -1 0 319.445 3.822 20 0 DHADRM COc1ccccc1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599715280 991443536 /nfs/dbraw/zinc/44/35/36/991443536.db2.gz CEFOUKDJOUPNRA-UHFFFAOYSA-N -1 0 324.336 3.661 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591058425 991474066 /nfs/dbraw/zinc/47/40/66/991474066.db2.gz PCPZEROOXBXBGE-GRDNDAEWSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)C1CCC(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001591079109 991570740 /nfs/dbraw/zinc/57/07/40/991570740.db2.gz CBNOJPGUIGRKAS-CSKARUKUSA-N -1 0 319.401 3.570 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@H]1C(C)C ZINC001591092857 991649986 /nfs/dbraw/zinc/64/99/86/991649986.db2.gz FVEUOZGSXOMXNU-GWCFXTLKSA-N -1 0 310.419 3.591 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1nccc(C(=O)[O-])n1 ZINC001591095253 991678363 /nfs/dbraw/zinc/67/83/63/991678363.db2.gz TYZKASDOHHUEMY-CJNGLKHVSA-N -1 0 311.385 3.546 20 0 DHADRM CC(C)[C@@H]1N(c2nc(Cl)c(C(=O)[O-])s2)CC12CCCC2 ZINC001591099593 991712210 /nfs/dbraw/zinc/71/22/10/991712210.db2.gz LNTHDGLLGPFRHU-JTQLQIEISA-N -1 0 314.838 3.900 20 0 DHADRM CC(C)[C@H]1N(c2nc(Cl)c(C(=O)[O-])s2)CC12CCCC2 ZINC001591099600 991712364 /nfs/dbraw/zinc/71/23/64/991712364.db2.gz LNTHDGLLGPFRHU-SNVBAGLBSA-N -1 0 314.838 3.900 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2cccc(C(=O)[O-])c2)CC12CCCCC2 ZINC001591100149 991719848 /nfs/dbraw/zinc/71/98/48/991719848.db2.gz UHPSLWVXRDGGKA-INIZCTEOSA-N -1 0 315.413 3.816 20 0 DHADRM COc1nccc2c(NCc3cccc(C(=O)[O-])c3)cccc21 ZINC001599736787 991786384 /nfs/dbraw/zinc/78/63/84/991786384.db2.gz LESQNQLKCKOHLR-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N1CCCc2c(OC(F)F)cccc21 ZINC001591123397 991808934 /nfs/dbraw/zinc/80/89/34/991808934.db2.gz 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O=C([O-])[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC=CCC1 ZINC000653281050 1021116563 /nfs/dbraw/zinc/11/65/63/1021116563.db2.gz WBPCNGYAOBCMDT-AWEZNQCLSA-N -1 0 314.168 3.743 20 0 DHADRM CCC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000659119235 1021181621 /nfs/dbraw/zinc/18/16/21/1021181621.db2.gz RPOUGMOWEIVFAE-CQSZACIVSA-N -1 0 301.342 3.557 20 0 DHADRM CCCCOc1cccc(NC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000659119746 1021183029 /nfs/dbraw/zinc/18/30/29/1021183029.db2.gz KQEGZYUOUWCGIZ-UHFFFAOYSA-N -1 0 317.341 3.717 20 0 DHADRM CSc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000414393926 1021184489 /nfs/dbraw/zinc/18/44/89/1021184489.db2.gz JLXALTDXUPSOQF-UHFFFAOYSA-N -1 0 311.428 3.728 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000659120487 1021186362 /nfs/dbraw/zinc/18/63/62/1021186362.db2.gz WCSLMAGSIDSCCL-SECBINFHSA-N -1 0 321.760 3.773 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000659127039 1021186479 /nfs/dbraw/zinc/18/64/79/1021186479.db2.gz 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C[C@@H]1CCC[C@H](CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)C1 ZINC000659192070 1021237457 /nfs/dbraw/zinc/23/74/57/1021237457.db2.gz FBSOGDKMQGJRDN-ALYAQQCSSA-N -1 0 321.461 3.695 20 0 DHADRM CCCCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659186700 1021238666 /nfs/dbraw/zinc/23/86/66/1021238666.db2.gz YXTXPTYTYCKCNC-OAHLLOKOSA-N -1 0 303.402 3.501 20 0 DHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCCC2CCCC2)n1 ZINC000659186298 1021239185 /nfs/dbraw/zinc/23/91/85/1021239185.db2.gz HKMHGRISZRKROL-AWEZNQCLSA-N -1 0 321.421 3.608 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)C(C)C ZINC000659196787 1021240322 /nfs/dbraw/zinc/24/03/22/1021240322.db2.gz WSPJWYLDWHRREM-WCVJEAGWSA-N -1 0 309.450 3.551 20 0 DHADRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604109 1021241120 /nfs/dbraw/zinc/24/11/20/1021241120.db2.gz POKOESCLPBVGSQ-UHFFFAOYSA-N -1 0 321.398 3.515 20 0 DHADRM C[C@H]1N(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc2C1(C)C ZINC000659211668 1021251127 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C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC000362438372 1027206849 /nfs/dbraw/zinc/20/68/49/1027206849.db2.gz SHWWEWGSTYNOPX-SMDDNHRTSA-N -1 0 309.381 3.530 20 0 DHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(F)c1[O-] ZINC000931795118 1027259255 /nfs/dbraw/zinc/25/92/55/1027259255.db2.gz GJOSSILHWRZYOW-OAHLLOKOSA-N -1 0 315.344 3.517 20 0 DHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[N-]OC/C=C/Cl ZINC000812399488 1027260210 /nfs/dbraw/zinc/26/02/10/1027260210.db2.gz PIHCLUCLBQDMSS-LZGFCCKTSA-N -1 0 311.809 3.552 20 0 DHADRM C[C@H](C(=O)[N-]OC/C=C\Cl)c1c(Cl)cccc1Cl ZINC000812403467 1027263693 /nfs/dbraw/zinc/26/36/93/1027263693.db2.gz SORGZEDFSCKIKS-LBLVLHIFSA-N -1 0 308.592 3.897 20 0 DHADRM CCc1nc(COC(=O)c2cc(Cl)c(Cl)[nH]2)cs1 ZINC000028486153 1027274513 /nfs/dbraw/zinc/27/45/13/1027274513.db2.gz DYORFTBTZXIULD-UHFFFAOYSA-N -1 0 305.186 3.697 20 0 DHADRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]OC/C=C\Cl ZINC000812408774 1027287138 /nfs/dbraw/zinc/28/71/38/1027287138.db2.gz 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CC(C)(C)c1ccc(CNC(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000872752572 1031654587 /nfs/dbraw/zinc/65/45/87/1031654587.db2.gz FSRHFJWOKTUJPF-UHFFFAOYSA-N -1 0 323.458 3.553 20 0 DHADRM Cc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1-c1ccsc1 ZINC000872765416 1031655261 /nfs/dbraw/zinc/65/52/61/1031655261.db2.gz WETCJBDCYSHTRW-UHFFFAOYSA-N -1 0 303.383 3.773 20 0 DHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n[nH]c1C1CC1 ZINC000760318228 1031657568 /nfs/dbraw/zinc/65/75/68/1031657568.db2.gz ADBJVWRDNFWTBZ-UHFFFAOYSA-N -1 0 319.430 3.520 20 0 DHADRM CC(C)Oc1ccc(F)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872843419 1031669793 /nfs/dbraw/zinc/66/97/93/1031669793.db2.gz KHTDDQZCFUVRDI-UHFFFAOYSA-N -1 0 321.348 3.507 20 0 DHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000872998583 1031691029 /nfs/dbraw/zinc/69/10/29/1031691029.db2.gz SGCFWGDDGJXNSB-UHFFFAOYSA-N -1 0 303.280 3.593 20 0 DHADRM CSCC1(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1 ZINC000845822174 1031730495 /nfs/dbraw/zinc/73/04/95/1031730495.db2.gz 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1031938822 /nfs/dbraw/zinc/93/88/22/1031938822.db2.gz HWMCDEXYYTUJJN-UHFFFAOYSA-N -1 0 315.369 3.727 20 0 DHADRM CN(C)c1cc(F)cc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC001144769827 1031952973 /nfs/dbraw/zinc/95/29/73/1031952973.db2.gz SOVNGTBWFXPCCY-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874011463 1031964462 /nfs/dbraw/zinc/96/44/62/1031964462.db2.gz ONNZYPNEJLLFTK-GFCCVEGCSA-N -1 0 315.369 3.725 20 0 DHADRM CCC[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874011464 1031964887 /nfs/dbraw/zinc/96/48/87/1031964887.db2.gz ONNZYPNEJLLFTK-LBPRGKRZSA-N -1 0 315.369 3.725 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000846704427 1032041858 /nfs/dbraw/zinc/04/18/58/1032041858.db2.gz FHUGVPLZTUHKGD-IXDOHACOSA-N -1 0 317.429 3.925 20 0 DHADRM O=C(CCc1ccc(OC(F)F)cc1)NOC1CCCCC1 ZINC000777958799 1032044242 /nfs/dbraw/zinc/04/42/42/1032044242.db2.gz PUXJKLIKMRIMSZ-UHFFFAOYSA-N -1 0 313.344 3.601 20 0 DHADRM O=C(COc1cc(Cl)ccc1Cl)[N-]OC1CCCCC1 ZINC000777961137 1032044814 /nfs/dbraw/zinc/04/48/14/1032044814.db2.gz GVKXWOWSIPNUFZ-UHFFFAOYSA-N -1 0 318.200 3.753 20 0 DHADRM CCC[C@@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000860201163 1033329929 /nfs/dbraw/zinc/32/99/29/1033329929.db2.gz HHGDXEGWPKKBGA-LLVKDONJSA-N -1 0 309.715 3.834 20 0 DHADRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(F)c1)CC2 ZINC000041575009 1033443689 /nfs/dbraw/zinc/44/36/89/1033443689.db2.gz FQQVKJRADPMFRM-XFFZJAGNSA-N -1 0 300.285 3.638 20 0 DHADRM Cc1cccc([C@@H](C)N=c2nc(C(F)(F)F)[n-]s2)c1C ZINC000553441452 1033693135 /nfs/dbraw/zinc/69/31/35/1033693135.db2.gz XSPYXELFCFLJFQ-SECBINFHSA-N -1 0 301.337 3.769 20 0 DHADRM Cc1ccc(F)c(NS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479482610 1033773362 /nfs/dbraw/zinc/77/33/62/1033773362.db2.gz JYMSEAKFBYHHGY-UHFFFAOYSA-N -1 0 322.386 3.545 20 0 DHADRM Cc1oc2ccc([N-]S(=O)(=O)c3cccs3)cc2c1C ZINC000479578872 1033825203 /nfs/dbraw/zinc/82/52/03/1033825203.db2.gz MGEPERSMRTXKEK-UHFFFAOYSA-N -1 0 307.396 3.912 20 0 DHADRM OCc1cc(F)cc(Nc2cccc(O)c2Br)c1 ZINC001212750591 1033829131 /nfs/dbraw/zinc/82/91/31/1033829131.db2.gz NJOATGKIGCBOJQ-UHFFFAOYSA-N -1 0 312.138 3.530 20 0 DHADRM O=S(=O)([O-])c1cc(O)c2ccc(Nc3ccsc3)cc2c1 ZINC001173821290 1033860547 /nfs/dbraw/zinc/86/05/47/1033860547.db2.gz ZYGRDWCVOPSFPK-UHFFFAOYSA-N -1 0 321.379 3.597 20 0 DHADRM Cc1cc(C(=O)CCC(=O)NOCc2ccccc2)c(C)s1 ZINC000023040103 1033898679 /nfs/dbraw/zinc/89/86/79/1033898679.db2.gz MFAMFZGDCRJNDC-UHFFFAOYSA-N -1 0 317.410 3.576 20 0 DHADRM Cc1cc(S(=O)(=O)[O-])c(NC=Cc2ccccc2)cc1Cl ZINC001173873537 1033904726 /nfs/dbraw/zinc/90/47/26/1033904726.db2.gz GSGIJMDUPKSYKL-BQYQJAHWSA-N -1 0 323.801 3.978 20 0 DHADRM Cc1cc(C)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001173829476 1033912420 /nfs/dbraw/zinc/91/24/20/1033912420.db2.gz ZWDWKDNDCPRUDF-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554017169 1033927464 /nfs/dbraw/zinc/92/74/64/1033927464.db2.gz 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/nfs/dbraw/zinc/08/96/02/1034089602.db2.gz JHBBLDBHDCMCCD-UHFFFAOYSA-N -1 0 320.563 3.895 20 0 DHADRM COc1ccc([C@H]2C[C@H](N=c3nc(C(C)C)[n-]s3)C2)cc1F ZINC000554519548 1034191530 /nfs/dbraw/zinc/19/15/30/1034191530.db2.gz DVSDFDDFVMLNOF-HAQNSBGRSA-N -1 0 321.421 3.589 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC(C)(C)CC(F)F)c1 ZINC000880076396 1034203789 /nfs/dbraw/zinc/20/37/89/1034203789.db2.gz WHZMNHCSJVVKKC-UHFFFAOYSA-N -1 0 313.344 3.995 20 0 DHADRM Cc1cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051092 1034278871 /nfs/dbraw/zinc/27/88/71/1034278871.db2.gz AGSMKOUDMXJAHM-UONOGXRCSA-N -1 0 321.417 3.502 20 0 DHADRM CCC1CCC(N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000864102081 1034289350 /nfs/dbraw/zinc/28/93/50/1034289350.db2.gz DBWGVENVEMKFHZ-UHFFFAOYSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1C(=O)[O-] ZINC000864100154 1034289780 /nfs/dbraw/zinc/28/97/80/1034289780.db2.gz RHCISTXEVURXJN-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM Cc1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864108664 1034291641 /nfs/dbraw/zinc/29/16/41/1034291641.db2.gz FEWNGXOXALLEOW-CQSZACIVSA-N -1 0 311.381 3.569 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000864110811 1034292360 /nfs/dbraw/zinc/29/23/60/1034292360.db2.gz YUXZGNGCBRIAEZ-WAYWQWQTSA-N -1 0 317.385 3.564 20 0 DHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC000864109412 1034293137 /nfs/dbraw/zinc/29/31/37/1034293137.db2.gz RNCIOLDGFXIRRE-DGCLKSJQSA-N -1 0 303.402 3.732 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000864122390 1034294000 /nfs/dbraw/zinc/29/40/00/1034294000.db2.gz QCMPVBPQMGZHFR-UGSOOPFHSA-N -1 0 301.386 3.568 20 0 DHADRM CC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCC(F)(F)CC1 ZINC000864123012 1034294973 /nfs/dbraw/zinc/29/49/73/1034294973.db2.gz ZRZQTRBULFUPFA-UHFFFAOYSA-N -1 0 315.291 3.678 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000864142422 1034297413 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DHADRM CC(C)CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000864175601 1034299943 /nfs/dbraw/zinc/29/99/43/1034299943.db2.gz LYENOOUJCCJDTF-PMPSAXMXSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(C)cc1 ZINC000864199591 1034301812 /nfs/dbraw/zinc/30/18/12/1034301812.db2.gz JELDORZSQSUPIS-LIRRHRJNSA-N -1 0 317.429 3.638 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864203427 1034302057 /nfs/dbraw/zinc/30/20/57/1034302057.db2.gz COSQJXQCXSNYRE-KAMXEHQASA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000864226342 1034304128 /nfs/dbraw/zinc/30/41/28/1034304128.db2.gz BFPXLBYTESLQOH-ZIAGYGMSSA-N -1 0 313.397 3.562 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC000864211188 1034304271 /nfs/dbraw/zinc/30/42/71/1034304271.db2.gz ZNRILVATJAEXTG-DCUZHFDTSA-N -1 0 321.461 3.599 20 0 DHADRM Cc1cccc(CO[N-]C(=O)C(C)(C)c2ccccc2Cl)n1 ZINC000898934720 1034335231 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O=C([O-])C=Cc1cccc(Nc2c[nH]c(C(F)(F)F)cc2=O)c1 ZINC001174495391 1034412376 /nfs/dbraw/zinc/41/23/76/1034412376.db2.gz PTCWSGVHRZYZJX-SNAWJCMRSA-N -1 0 324.258 3.647 20 0 DHADRM Cc1nc2sccc2c(Nc2cccc(/C=C/C(=O)[O-])c2)n1 ZINC001174494940 1034412451 /nfs/dbraw/zinc/41/24/51/1034412451.db2.gz KSDURAZXBQNKTQ-AATRIKPKSA-N -1 0 311.366 3.841 20 0 DHADRM COC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1C ZINC001174496149 1034412480 /nfs/dbraw/zinc/41/24/80/1034412480.db2.gz DTFZKCNHSUUYSC-RMKNXTFCSA-N -1 0 311.337 3.623 20 0 DHADRM CC(C)(C)c1nsc(Nc2cccc(/C=C/C(=O)[O-])c2)n1 ZINC001174495715 1034413062 /nfs/dbraw/zinc/41/30/62/1034413062.db2.gz VPMKXQXQEGTGHM-BQYQJAHWSA-N -1 0 303.387 3.677 20 0 DHADRM Cc1cc2c(ncnc2Nc2cccc(/C=C/C(=O)[O-])c2)s1 ZINC001174495481 1034413582 /nfs/dbraw/zinc/41/35/82/1034413582.db2.gz RVSMGMMGTVJLFW-AATRIKPKSA-N -1 0 311.366 3.841 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cccc(Cn3cccn3)c2)c1 ZINC001174496805 1034415205 /nfs/dbraw/zinc/41/52/05/1034415205.db2.gz 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1034549948 /nfs/dbraw/zinc/54/99/48/1034549948.db2.gz RRYGVBNZPMHIST-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1Cl ZINC001174685620 1034550431 /nfs/dbraw/zinc/55/04/31/1034550431.db2.gz WSWWXKJSEMEHAT-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2cc(Cl)cc3ncoc32)ccc1C(=O)[O-] ZINC001174688311 1034550468 /nfs/dbraw/zinc/55/04/68/1034550468.db2.gz VBZHKTZBZNENII-UHFFFAOYSA-N -1 0 318.716 3.932 20 0 DHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc2[nH]ccc21 ZINC001174648282 1034554124 /nfs/dbraw/zinc/55/41/24/1034554124.db2.gz AHDUOBNQJITNOH-UHFFFAOYSA-N -1 0 322.773 3.812 20 0 DHADRM Cc1cc(C)c(Nc2cccc3[nH]ccc32)c(S(=O)(=O)[O-])c1 ZINC001174648394 1034554720 /nfs/dbraw/zinc/55/47/20/1034554720.db2.gz GOYOHVOEQHAXRP-UHFFFAOYSA-N -1 0 316.382 3.775 20 0 DHADRM Oc1cc(Nc2ccc(N3CCOCC3)cc2)c(F)cc1Cl ZINC001174709127 1034572966 /nfs/dbraw/zinc/57/29/66/1034572966.db2.gz OYPVRWLIBVIKTC-UHFFFAOYSA-N -1 0 322.767 3.765 20 0 DHADRM 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324.218 3.559 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000597029574 1040630562 /nfs/dbraw/zinc/63/05/62/1040630562.db2.gz NIGFWKLEVZDXGP-KBPBESRZSA-N -1 0 317.495 3.502 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000597027459 1040630647 /nfs/dbraw/zinc/63/06/47/1040630647.db2.gz YNCDLGZWUQWLJQ-WDEREUQCSA-N -1 0 309.431 3.517 20 0 DHADRM Cc1cc(C)n(Cc2ccc(-c3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000516869411 1040661064 /nfs/dbraw/zinc/66/10/64/1040661064.db2.gz HSBHCLDLCJTBSF-UHFFFAOYSA-N -1 0 306.365 3.913 20 0 DHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000060498172 1040706078 /nfs/dbraw/zinc/70/60/78/1040706078.db2.gz LMEWQTKGKPLWEM-UHFFFAOYSA-N -1 0 317.410 3.614 20 0 DHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)c1ccco1 ZINC000060497256 1040706235 /nfs/dbraw/zinc/70/62/35/1040706235.db2.gz PFPVGICUKWPBCJ-UHFFFAOYSA-N -1 0 321.398 3.579 20 0 DHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1 ZINC000456658166 1040887698 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C[C@@H](CC1CCCC1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139262568 186021236 /nfs/dbraw/zinc/02/12/36/186021236.db2.gz ZNULDQCGTOPWCL-YOEHRIQHSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000003986357 181060310 /nfs/dbraw/zinc/06/03/10/181060310.db2.gz NVOWFSVQTZTXSO-UHFFFAOYSA-N -1 0 300.701 3.755 20 0 DHADRM Cc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1C(=O)[O-] ZINC000417560039 334980498 /nfs/dbraw/zinc/98/04/98/334980498.db2.gz BAYLSVVDXOXAGI-CQSZACIVSA-N -1 0 318.398 3.613 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000236931609 202078223 /nfs/dbraw/zinc/07/82/23/202078223.db2.gz DGXLAUYTOPDVHS-RHSMWYFYSA-N -1 0 305.418 3.578 20 0 DHADRM CC[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C)cc1 ZINC000236919636 202072385 /nfs/dbraw/zinc/07/23/85/202072385.db2.gz LCIFNSSMUYKULK-AWEZNQCLSA-N -1 0 305.418 3.638 20 0 DHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236932596 202078059 /nfs/dbraw/zinc/07/80/59/202078059.db2.gz 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C[C@@H](CC(=O)[O-])c1ccc(NCc2cnc(C3CC3)nc2)cc1 ZINC000417611884 335011041 /nfs/dbraw/zinc/01/10/41/335011041.db2.gz PXBKQFASUORZLF-LBPRGKRZSA-N -1 0 311.385 3.544 20 0 DHADRM Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(Br)c1 ZINC000011802912 181706938 /nfs/dbraw/zinc/70/69/38/181706938.db2.gz IHVOLCRZDJWETQ-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013255964 181839862 /nfs/dbraw/zinc/83/98/62/181839862.db2.gz RRBJNCHEVHATSC-UHFFFAOYSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)sc1C ZINC000013427703 181849471 /nfs/dbraw/zinc/84/94/71/181849471.db2.gz YEMMUKOZHSJYPT-CQSZACIVSA-N -1 0 317.410 3.565 20 0 DHADRM CCOc1ccc(OCCCC(=O)Nc2ccccc2O)cc1 ZINC000016482993 182046444 /nfs/dbraw/zinc/04/64/44/182046444.db2.gz JVTKEOQSFUSPRH-UHFFFAOYSA-N -1 0 315.369 3.589 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000016481203 182046644 /nfs/dbraw/zinc/04/66/44/182046644.db2.gz ZYLHNHDLVCIDGI-UHFFFAOYSA-N -1 0 303.280 3.535 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322.455 3.937 20 0 DHADRM O=C([O-])[C@@H](Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000037960751 182943152 /nfs/dbraw/zinc/94/31/52/182943152.db2.gz QMHRTWQYTOKDGV-ZDUSSCGKSA-N -1 0 324.149 3.826 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000192985881 335040354 /nfs/dbraw/zinc/04/03/54/335040354.db2.gz YJDIJGIGVYVMEN-WMLDXEAASA-N -1 0 317.429 3.745 20 0 DHADRM C[C@](CNC(=O)C1CCCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000193077030 335041727 /nfs/dbraw/zinc/04/17/27/335041727.db2.gz FZCTXSUBHJGMEE-LJQANCHMSA-N -1 0 317.429 3.506 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 ZINC000272725391 130058942 /nfs/dbraw/zinc/05/89/42/130058942.db2.gz YMLWHPRSSVJSCC-STQMWFEESA-N -1 0 315.394 3.707 20 0 DHADRM CCN(C(=O)Nc1ccc(C)cc1SCCC(=O)[O-])C(C)C ZINC000275016738 130282404 /nfs/dbraw/zinc/28/24/04/130282404.db2.gz QYULHLPIYVPQHL-UHFFFAOYSA-N -1 0 324.446 3.824 20 0 DHADRM Cc1ccc(F)c(C(=O)[O-])c1NC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000275135360 130293653 /nfs/dbraw/zinc/29/36/53/130293653.db2.gz VZUXCMJEVRIQJG-PHIMTYICSA-N -1 0 308.353 3.627 20 0 DHADRM C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccc(O)cc3)no2)C1(C)C ZINC000275670066 130359087 /nfs/dbraw/zinc/35/90/87/130359087.db2.gz NCQANTWLQTVSCL-GWCFXTLKSA-N -1 0 300.358 3.551 20 0 DHADRM C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccc(O)cc3)no2)C1(C)C ZINC000275670081 130359514 /nfs/dbraw/zinc/35/95/14/130359514.db2.gz NCQANTWLQTVSCL-ZWNOBZJWSA-N -1 0 300.358 3.551 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000283582136 131004899 /nfs/dbraw/zinc/00/48/99/131004899.db2.gz XAPMIWHRZVMBDO-CYBMUJFWSA-N -1 0 302.827 3.545 20 0 DHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)c([O-])cc2F)CCO1 ZINC000286611088 131243571 /nfs/dbraw/zinc/24/35/71/131243571.db2.gz BVUBPLDDUDAGFC-VHSXEESVSA-N -1 0 315.772 3.719 20 0 DHADRM CCO[N-]C(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000289475455 131388710 /nfs/dbraw/zinc/38/87/10/131388710.db2.gz HTQZRSXNYYPZNG-UHFFFAOYSA-N -1 0 322.405 3.603 20 0 DHADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]1c1cccnc1 ZINC000293751858 131764703 /nfs/dbraw/zinc/76/47/03/131764703.db2.gz MGJTXLSFEKYTCL-OAHLLOKOSA-N -1 0 316.788 3.664 20 0 DHADRM CC(C)CCC1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000194436187 335072914 /nfs/dbraw/zinc/07/29/14/335072914.db2.gz YOBLFWFBAWDCJN-UHFFFAOYSA-N -1 0 309.450 3.552 20 0 DHADRM CCCCCc1ccc(NC(=O)N(C)CCCC(=O)[O-])cc1 ZINC000417742248 335085095 /nfs/dbraw/zinc/08/50/95/335085095.db2.gz ZVMQJCOOBPLLBI-UHFFFAOYSA-N -1 0 306.406 3.748 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1 ZINC000013947620 431573001 /nfs/dbraw/zinc/57/30/01/431573001.db2.gz WLHGWQOKBSAOCO-GFCCVEGCSA-N -1 0 304.415 3.704 20 0 DHADRM CCCCCc1ccc(NC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000570629193 332786791 /nfs/dbraw/zinc/78/67/91/332786791.db2.gz HQBKINPHMHPFQO-UHFFFAOYSA-N -1 0 318.417 3.890 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])c2ccc(F)cc2O1 ZINC000173530282 332831967 /nfs/dbraw/zinc/83/19/67/332831967.db2.gz IMGDCVLBVQOWSI-VIFPVBQESA-N -1 0 321.735 3.612 20 0 DHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Cc1cccs1 ZINC000173755875 332837349 /nfs/dbraw/zinc/83/73/49/332837349.db2.gz AUYPKBWIXYXFEA-JTQLQIEISA-N -1 0 309.818 3.716 20 0 DHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000174370898 332852955 /nfs/dbraw/zinc/85/29/55/332852955.db2.gz PKWYRTOBIAIYIH-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 ZINC000575049080 332863487 /nfs/dbraw/zinc/86/34/87/332863487.db2.gz PERCQAZYKBCVNK-STQMWFEESA-N -1 0 305.349 3.679 20 0 DHADRM CCCC[C@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000318479551 332879864 /nfs/dbraw/zinc/87/98/64/332879864.db2.gz BINCFNJPSGTEHR-HNNXBMFYSA-N -1 0 323.458 3.545 20 0 DHADRM CSc1cc(C)c(-c2cccc(O[C@@H](C)C(=O)[O-])c2)cn1 ZINC000570943582 332915920 /nfs/dbraw/zinc/91/59/20/332915920.db2.gz YOOXCLCZZDDLIM-NSHDSACASA-N -1 0 303.383 3.631 20 0 DHADRM CCC(CC)(CC(=O)N[C@H](C)c1cc(C)sc1C)C(=O)[O-] ZINC000037500796 331578794 /nfs/dbraw/zinc/57/87/94/331578794.db2.gz PSZRZOAOVDEILG-LLVKDONJSA-N -1 0 311.447 3.823 20 0 DHADRM Clc1cccc(Cl)c1CN=c1nc(C2CC2)[n-]s1 ZINC000530693540 331619528 /nfs/dbraw/zinc/61/95/28/331619528.db2.gz JDSMYBAKLKKCDP-UHFFFAOYSA-N -1 0 300.214 3.756 20 0 DHADRM C[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)S1 ZINC000530713704 331620714 /nfs/dbraw/zinc/62/07/14/331620714.db2.gz ZISCPFZHOUHLHV-OCAPTIKFSA-N -1 0 320.241 3.665 20 0 DHADRM CCc1ccc([C@@H](NC(=O)CCCCC(=O)[O-])C(C)C)cc1 ZINC000261975900 331740720 /nfs/dbraw/zinc/74/07/20/331740720.db2.gz QTLGSCVPBRHSRZ-SFHVURJKSA-N -1 0 305.418 3.707 20 0 DHADRM Cc1ccc(-c2nc(CN[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000261984065 331762706 /nfs/dbraw/zinc/76/27/06/331762706.db2.gz RXSWAOXCZMKABJ-HNNXBMFYSA-N -1 0 318.442 3.707 20 0 DHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)[C@@H](C)c1ccccc1 ZINC000557628987 331803822 /nfs/dbraw/zinc/80/38/22/331803822.db2.gz VMSSMFYDOBNMHL-BDAKNGLRSA-N -1 0 301.337 3.583 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263356790 331810726 /nfs/dbraw/zinc/81/07/26/331810726.db2.gz XFCZIIPLDUASJX-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM CC(C)C[C@@H]1C[C@H](N=c2nc(-c3ccccc3)[n-]s2)CCO1 ZINC000558023191 331836258 /nfs/dbraw/zinc/83/62/58/331836258.db2.gz HZRBJHPUOBZQBM-HUUCEWRRSA-N -1 0 317.458 3.633 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccccc2OC(C)C)s[n-]1 ZINC000558687818 331935519 /nfs/dbraw/zinc/93/55/19/331935519.db2.gz XELFLIFPXSUJIG-NWDGAFQWSA-N -1 0 321.446 3.628 20 0 DHADRM CCCN(CC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000584244317 331950716 /nfs/dbraw/zinc/95/07/16/331950716.db2.gz FBAHIGGAJBXWOD-UHFFFAOYSA-N -1 0 315.417 3.573 20 0 DHADRM CCC(C)(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000569370909 332066895 /nfs/dbraw/zinc/06/68/95/332066895.db2.gz PQPPQJVWPSYLFN-INIZCTEOSA-N -1 0 321.486 3.766 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000096659596 332138755 /nfs/dbraw/zinc/13/87/55/332138755.db2.gz SGBRYNMTWGTSJY-UHFFFAOYSA-N -1 0 315.316 3.815 20 0 DHADRM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Cl)c1cccs1 ZINC000426790252 332153809 /nfs/dbraw/zinc/15/38/09/332153809.db2.gz BXHBRESOBFIKLG-LBPRGKRZSA-N -1 0 316.209 3.970 20 0 DHADRM CCC[C@@H](C)C[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000426794825 332154487 /nfs/dbraw/zinc/15/44/87/332154487.db2.gz UFRWBAVTGAZXFE-DGCLKSJQSA-N -1 0 312.479 3.810 20 0 DHADRM CCC[C@@H](C)C[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000426794827 332154497 /nfs/dbraw/zinc/15/44/97/332154497.db2.gz UFRWBAVTGAZXFE-YPMHNXCESA-N -1 0 312.479 3.810 20 0 DHADRM C(CCN=c1nc(C2CC2)[n-]s1)CCOC1CCCCC1 ZINC000426886896 332159779 /nfs/dbraw/zinc/15/97/79/332159779.db2.gz QKTRLWAPXMRHOI-UHFFFAOYSA-N -1 0 309.479 3.769 20 0 DHADRM COCc1nc(=N[C@H](C)c2cccc(Cl)c2Cl)s[n-]1 ZINC000426895126 332160477 /nfs/dbraw/zinc/16/04/77/332160477.db2.gz RFOMLUDMWXSUKR-SSDOTTSWSA-N -1 0 318.229 3.586 20 0 DHADRM O=C([O-])c1csc(NC(=O)Cc2csc3ccccc23)c1 ZINC000584269090 332177483 /nfs/dbraw/zinc/17/74/83/332177483.db2.gz VKALRGNDZDQJMU-UHFFFAOYSA-N -1 0 317.391 3.842 20 0 DHADRM Cc1ccccc1NC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000555767928 332265647 /nfs/dbraw/zinc/26/56/47/332265647.db2.gz JYDOLNOPOUOZFU-CQSZACIVSA-N -1 0 312.369 3.675 20 0 DHADRM Cc1c(NCc2ccc(OCC(F)F)cc2)cccc1C(=O)[O-] ZINC000559980636 332298887 /nfs/dbraw/zinc/29/88/87/332298887.db2.gz QWIXGACBPDOQRS-UHFFFAOYSA-N -1 0 321.323 3.949 20 0 DHADRM COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000047368750 332300733 /nfs/dbraw/zinc/30/07/33/332300733.db2.gz HOHPGQDQYXMDQA-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(O)c3ccccc23)no1 ZINC000560086700 332310045 /nfs/dbraw/zinc/31/00/45/332310045.db2.gz UKMPKDYUJXFLOB-BETUJISGSA-N -1 0 323.396 3.968 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000261784406 332318437 /nfs/dbraw/zinc/31/84/37/332318437.db2.gz SKVRMRGWBMGCQL-MFNRNEDNSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000261786651 332319558 /nfs/dbraw/zinc/31/95/58/332319558.db2.gz YKQRKUAVXPFGAO-KBXCAEBGSA-N -1 0 323.392 3.536 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000562283541 332567814 /nfs/dbraw/zinc/56/78/14/332567814.db2.gz RPOSGDHPRMJUEF-GXTWGEPZSA-N -1 0 319.401 3.519 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccnn1C1CCCC1 ZINC000562800187 332627842 /nfs/dbraw/zinc/62/78/42/332627842.db2.gz VZELNKFHNLGYSX-UHFFFAOYSA-N -1 0 313.401 3.871 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000261679316 332640939 /nfs/dbraw/zinc/64/09/39/332640939.db2.gz IARPUVRGJXKXPB-UHFFFAOYSA-N -1 0 311.381 3.584 20 0 DHADRM COc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)ccc1F ZINC000318307886 332668676 /nfs/dbraw/zinc/66/86/76/332668676.db2.gz RSANNSCOXHVWSF-UHFFFAOYSA-N -1 0 320.707 3.910 20 0 DHADRM Cc1cc(-c2ccc(CC(=O)[O-])s2)ccc1O[C@H]1CCOC1 ZINC000569743867 332674706 /nfs/dbraw/zinc/67/47/06/332674706.db2.gz FHZPKMYQLQQXEM-ZDUSSCGKSA-N -1 0 318.394 3.518 20 0 DHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000570096554 332711591 /nfs/dbraw/zinc/71/15/91/332711591.db2.gz OBASAJOPODXYPH-CQSZACIVSA-N -1 0 313.353 3.591 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000570436056 332754761 /nfs/dbraw/zinc/75/47/61/332754761.db2.gz YWBNDWYDMHHXKI-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM COCc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000177039032 332967902 /nfs/dbraw/zinc/96/79/02/332967902.db2.gz CFVLJUZVVVRBCK-UHFFFAOYSA-N -1 0 309.724 3.583 20 0 DHADRM Cc1nccc(-c2cccc(NC(=O)c3ccc(F)cc3[O-])c2)n1 ZINC000178999340 333023329 /nfs/dbraw/zinc/02/33/29/333023329.db2.gz HXBQFJHZZFJRII-UHFFFAOYSA-N -1 0 323.327 3.549 20 0 DHADRM C[C@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000179596489 333025454 /nfs/dbraw/zinc/02/54/54/333025454.db2.gz ZCFOEKIVYWISSM-JTQLQIEISA-N -1 0 321.829 3.776 20 0 DHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])c1cccnc1 ZINC000179564560 333025562 /nfs/dbraw/zinc/02/55/62/333025562.db2.gz ZBDQIDCQAAZBOM-UHFFFAOYSA-N -1 0 312.756 3.870 20 0 DHADRM CC(C)COc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179958375 333026752 /nfs/dbraw/zinc/02/67/52/333026752.db2.gz VYISFWKACKOXKB-KGLIPLIRSA-N -1 0 319.401 3.551 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])[C@@H]2CCCC[C@@H]21 ZINC000180883913 333028863 /nfs/dbraw/zinc/02/88/63/333028863.db2.gz WFEJAQHZHNHLMS-GLXFQSAKSA-N -1 0 311.784 3.835 20 0 DHADRM C[C@@H](c1ccccc1Cl)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000378657985 333041471 /nfs/dbraw/zinc/04/14/71/333041471.db2.gz DLRFLIGYXCGGQB-VIFPVBQESA-N -1 0 310.806 3.688 20 0 DHADRM O=C(Nc1ccccc1OC(F)F)c1cc(F)c([O-])c(F)c1 ZINC000183347377 333055874 /nfs/dbraw/zinc/05/58/74/333055874.db2.gz LVTBGCZWTQGQJN-UHFFFAOYSA-N -1 0 315.222 3.524 20 0 DHADRM COc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183357108 333056019 /nfs/dbraw/zinc/05/60/19/333056019.db2.gz KYMGNFISORAFBV-SNVBAGLBSA-N -1 0 321.323 3.512 20 0 DHADRM CCC1CCC(NC(=O)CCCc2cccs2)(C(=O)[O-])CC1 ZINC000314063595 333085091 /nfs/dbraw/zinc/08/50/91/333085091.db2.gz JSBMVVRXBZFREK-UHFFFAOYSA-N -1 0 323.458 3.611 20 0 DHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000178012459 333134497 /nfs/dbraw/zinc/13/44/97/333134497.db2.gz AVGWCLDODAXUFJ-SECBINFHSA-N -1 0 308.790 3.560 20 0 DHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460835417 333147482 /nfs/dbraw/zinc/14/74/82/333147482.db2.gz ZSTRDMOXDDAFFM-UHFFFAOYSA-N -1 0 319.426 3.928 20 0 DHADRM Cc1ccc(C(=O)[O-])c(-c2ccc(O[C@@H]3CCOC3)c(C)c2)c1 ZINC000580330296 333204153 /nfs/dbraw/zinc/20/41/53/333204153.db2.gz FLKCUZMVHHRCOV-OAHLLOKOSA-N -1 0 312.365 3.836 20 0 DHADRM c1ccc(-c2nc(=N[C@H](c3cccnc3)C3CC3)s[n-]2)cc1 ZINC000497750025 333287087 /nfs/dbraw/zinc/28/70/87/333287087.db2.gz AZYKVODAAVQEDH-HNNXBMFYSA-N -1 0 308.410 3.585 20 0 DHADRM CC(C)c1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000388533662 333322346 /nfs/dbraw/zinc/32/23/46/333322346.db2.gz LBOYWHJPZIBLIL-DOMZBBRYSA-N -1 0 304.390 3.527 20 0 DHADRM O=C(Nc1ccc2c(c1)CCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000184179294 333342940 /nfs/dbraw/zinc/34/29/40/333342940.db2.gz ZQFUSXKTUQEFBP-UHFFFAOYSA-N -1 0 305.736 3.926 20 0 DHADRM O=C(NCCCc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184175060 333343179 /nfs/dbraw/zinc/34/31/79/333343179.db2.gz PDIOPCDCYADPIP-UHFFFAOYSA-N -1 0 307.752 3.547 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c(C)o1 ZINC000184332096 333355771 /nfs/dbraw/zinc/35/57/71/333355771.db2.gz CBVGSKVSQCNYRI-MRVPVSSYSA-N -1 0 311.740 3.886 20 0 DHADRM Cc1coc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc12 ZINC000185796901 333371337 /nfs/dbraw/zinc/37/13/37/333371337.db2.gz AVALKKGOZRLBIO-UHFFFAOYSA-N -1 0 303.264 3.977 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])c2c(O)cccc21 ZINC000186336836 333372992 /nfs/dbraw/zinc/37/29/92/333372992.db2.gz UYKSKMKWTQSKBP-SNVBAGLBSA-N -1 0 317.772 3.905 20 0 DHADRM CSc1cccc(N(C)C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186763336 333377776 /nfs/dbraw/zinc/37/77/76/333377776.db2.gz LEGGTZVLMDIKJU-UHFFFAOYSA-N -1 0 309.337 3.669 20 0 DHADRM COc1cccc(-c2cc(OC(C)C)cc(C(=O)[O-])c2)c1OC ZINC000565429996 333509622 /nfs/dbraw/zinc/50/96/22/333509622.db2.gz BKHHBHUIJCNKDJ-UHFFFAOYSA-N -1 0 316.353 3.856 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000048652446 333513417 /nfs/dbraw/zinc/51/34/17/333513417.db2.gz FAHHVDKGCRPUHG-UHFFFAOYSA-N -1 0 301.820 3.765 20 0 DHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000531743947 333552477 /nfs/dbraw/zinc/55/24/77/333552477.db2.gz QBIHRGRQEDWQTN-ZDUSSCGKSA-N -1 0 321.392 3.613 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000319028954 333678581 /nfs/dbraw/zinc/67/85/81/333678581.db2.gz RYHFQNJIPNEYBJ-HNNXBMFYSA-N -1 0 304.390 3.540 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000571526628 333813949 /nfs/dbraw/zinc/81/39/49/333813949.db2.gz WKPNZVOUTWHOIB-GFCCVEGCSA-N -1 0 321.442 3.619 20 0 DHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000436802824 334000665 /nfs/dbraw/zinc/00/06/65/334000665.db2.gz KRYKHCQTGHLQSR-UHFFFAOYSA-N -1 0 307.781 3.638 20 0 DHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000414609915 334040270 /nfs/dbraw/zinc/04/02/70/334040270.db2.gz KFXVVIHFJQRHRO-ZDUSSCGKSA-N -1 0 320.433 3.551 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NCCCCCC(=O)[O-] ZINC000414624587 334045665 /nfs/dbraw/zinc/04/56/65/334045665.db2.gz IWZCMRLVSTVFCU-INIZCTEOSA-N -1 0 320.433 3.814 20 0 DHADRM Cc1cccc([C@H](NC(=O)N(C)CCCC(=O)[O-])C(C)(C)C)c1 ZINC000414632618 334048300 /nfs/dbraw/zinc/04/83/00/334048300.db2.gz SIXYHOKTCVCHGX-INIZCTEOSA-N -1 0 320.433 3.588 20 0 DHADRM Cc1cccc([C@@H](NC(=O)N(C)CCCC(=O)[O-])C(C)(C)C)c1 ZINC000414632619 334048349 /nfs/dbraw/zinc/04/83/49/334048349.db2.gz SIXYHOKTCVCHGX-MRXNPFEDSA-N -1 0 320.433 3.588 20 0 DHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000414636993 334049704 /nfs/dbraw/zinc/04/97/04/334049704.db2.gz LBUKCQBSPWMHSI-NSHDSACASA-N -1 0 318.442 3.990 20 0 DHADRM COc1cc(NC2CCC(C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000414639719 334050646 /nfs/dbraw/zinc/05/06/46/334050646.db2.gz QLTWILDWDXGELQ-UHFFFAOYSA-N -1 0 317.307 3.769 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2sc(C)nc2C)sc1Cl ZINC000276614982 334083723 /nfs/dbraw/zinc/08/37/23/334083723.db2.gz SJXACBHGKFCLEG-UHFFFAOYSA-N -1 0 322.864 3.584 20 0 DHADRM Cc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1F ZINC000323705682 334117887 /nfs/dbraw/zinc/11/78/87/334117887.db2.gz USISLDYSFORBHM-SFHVURJKSA-N -1 0 315.344 3.505 20 0 DHADRM Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000110987777 334298907 /nfs/dbraw/zinc/29/89/07/334298907.db2.gz KUUCSIFOPVDRGV-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CC[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000532000380 334368060 /nfs/dbraw/zinc/36/80/60/334368060.db2.gz VHYPDCJGKSIERA-HNNXBMFYSA-N -1 0 317.429 3.864 20 0 DHADRM O=C(COc1cccc2ccccc21)Nc1ccc(F)cc1O ZINC000532012618 334371505 /nfs/dbraw/zinc/37/15/05/334371505.db2.gz XVINLUVCXYSYSL-UHFFFAOYSA-N -1 0 311.312 3.702 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1(C2CC2)CCC1)C1CCCCC1 ZINC000443418482 338451216 /nfs/dbraw/zinc/45/12/16/338451216.db2.gz PNFHLGIURMSLHA-SFHVURJKSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000342573800 334551670 /nfs/dbraw/zinc/55/16/70/334551670.db2.gz SQTWFTRHADRDIU-AMIZOPFISA-N -1 0 323.389 3.578 20 0 DHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000343101768 334599691 /nfs/dbraw/zinc/59/96/91/334599691.db2.gz ITGQWAVSARQFBB-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416282367 334659421 /nfs/dbraw/zinc/65/94/21/334659421.db2.gz CDZRWPCHVBDAMR-RKDXNWHRSA-N -1 0 316.854 3.789 20 0 DHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000164881471 334672827 /nfs/dbraw/zinc/67/28/27/334672827.db2.gz QXGSQFCFDVBBBW-UHFFFAOYSA-N -1 0 322.430 3.644 20 0 DHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccccc2C(C)C)s1 ZINC000330945049 334823371 /nfs/dbraw/zinc/82/33/71/334823371.db2.gz FGQSTKFXXYVVDP-UHFFFAOYSA-N -1 0 324.471 3.938 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(F)c(C2CC2)c1)C(=O)[O-] ZINC000344525698 335254978 /nfs/dbraw/zinc/25/49/78/335254978.db2.gz CMBWVHGAZLAMTP-UHFFFAOYSA-N -1 0 307.365 3.923 20 0 DHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(Cl)s1 ZINC000442843417 335259249 /nfs/dbraw/zinc/25/92/49/335259249.db2.gz DFHJHVNMDSEJNC-UHFFFAOYSA-N -1 0 313.787 3.949 20 0 DHADRM Cc1cc(C)c(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)c1 ZINC000344702482 335273845 /nfs/dbraw/zinc/27/38/45/335273845.db2.gz SDTHYFXAQQCVBI-UHFFFAOYSA-N -1 0 306.365 3.706 20 0 DHADRM Cn1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000344949698 335287474 /nfs/dbraw/zinc/28/74/74/335287474.db2.gz MPJBVWMAKHDPLL-UHFFFAOYSA-N -1 0 319.575 3.943 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(C2CC2)cn1 ZINC000345665242 335344565 /nfs/dbraw/zinc/34/45/65/335344565.db2.gz XFRRECSIRQJTOE-UHFFFAOYSA-N -1 0 306.724 3.709 20 0 DHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CCC2)cc1 ZINC000346023011 335366097 /nfs/dbraw/zinc/36/60/97/335366097.db2.gz GECXZFRKFPSMLL-MRXNPFEDSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000347268274 335484930 /nfs/dbraw/zinc/48/49/30/335484930.db2.gz PCRLDTHCZIRBPT-CZUORRHYSA-N -1 0 305.418 3.502 20 0 DHADRM Cc1cc(CN=c2[n-]c(C(C)C)no2)ccc1Oc1cccnc1 ZINC000347737323 335521168 /nfs/dbraw/zinc/52/11/68/335521168.db2.gz BLGFSECIRAVLOI-UHFFFAOYSA-N -1 0 324.384 3.723 20 0 DHADRM O=C(CCC(=O)c1cccc(F)c1)Nc1cccc(Cl)c1[O-] ZINC000348705434 335603435 /nfs/dbraw/zinc/60/34/35/335603435.db2.gz SKQAVTYYCMNFJD-UHFFFAOYSA-N -1 0 321.735 3.786 20 0 DHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000417801374 335618009 /nfs/dbraw/zinc/61/80/09/335618009.db2.gz VVGQWXHDEHDJMI-UHFFFAOYSA-N -1 0 304.390 3.721 20 0 DHADRM O=C([O-])c1cc(/C=C\c2ccccc2OC2CCCC2)ncn1 ZINC000535593531 335657335 /nfs/dbraw/zinc/65/73/35/335657335.db2.gz VNCHOPJFSBPRCM-KTKRTIGZSA-N -1 0 310.353 3.667 20 0 DHADRM O=S(=O)([N-]c1ccc(Cl)cc1-n1cccc1)c1ccoc1 ZINC000349944356 335712057 /nfs/dbraw/zinc/71/20/57/335712057.db2.gz LSJBUWROVWHXNL-UHFFFAOYSA-N -1 0 322.773 3.525 20 0 DHADRM COc1ccc(-c2ccccc2CC2(C(=O)[O-])CC2)cc1OC ZINC000583575999 335740334 /nfs/dbraw/zinc/74/03/34/335740334.db2.gz YXPZXVFITGIUPZ-UHFFFAOYSA-N -1 0 312.365 3.778 20 0 DHADRM Cc1cc(F)ccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191404897 335743699 /nfs/dbraw/zinc/74/36/99/335743699.db2.gz FQYBBOWDPWEXIC-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Nc2ccccc2)o1 ZINC000191557417 335763104 /nfs/dbraw/zinc/76/31/04/335763104.db2.gz UZAXOKDTEVXPOF-UHFFFAOYSA-N -1 0 322.320 3.974 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000536127768 335822004 /nfs/dbraw/zinc/82/20/04/335822004.db2.gz TUINCIWGSKTFSE-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM Cc1oc2ccc([N-]S(=O)(=O)c3ccsc3)cc2c1C ZINC000350872858 335848949 /nfs/dbraw/zinc/84/89/49/335848949.db2.gz WWILVINJCHLVLW-UHFFFAOYSA-N -1 0 307.396 3.912 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1coc(C2CCCC2)n1 ZINC000331872952 336150989 /nfs/dbraw/zinc/15/09/89/336150989.db2.gz FHGVWOFKGFCYNW-UHFFFAOYSA-N -1 0 306.749 3.944 20 0 DHADRM Cc1sc(C=Cc2nc(-c3ccccc3)c[nH]2)nc1C(=O)[O-] ZINC000352035588 336191067 /nfs/dbraw/zinc/19/10/67/336191067.db2.gz RSXDJHQKZSAWRM-BQYQJAHWSA-N -1 0 311.366 3.710 20 0 DHADRM CC(C)C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccs1 ZINC000352386400 336215662 /nfs/dbraw/zinc/21/56/62/336215662.db2.gz XYMSHPUOACTHCE-NSHDSACASA-N -1 0 307.371 3.557 20 0 DHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc2cc[nH]c2c1 ZINC000352419633 336217257 /nfs/dbraw/zinc/21/72/57/336217257.db2.gz SRUOPEWVULQUGS-UHFFFAOYSA-N -1 0 320.270 3.567 20 0 DHADRM CCOCc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000030124740 336241044 /nfs/dbraw/zinc/24/10/44/336241044.db2.gz IXUSQRKXVBSDSR-UHFFFAOYSA-N -1 0 319.788 3.512 20 0 DHADRM O=C([O-])c1cc(/C=C\c2ccc(-c3ccccc3F)o2)ncn1 ZINC000532803268 336271768 /nfs/dbraw/zinc/27/17/68/336271768.db2.gz LBURKECAGKDQQZ-WAYWQWQTSA-N -1 0 310.284 3.744 20 0 DHADRM Cc1cc(NC(=O)Cc2c[nH]c3ccccc23)cc(C(=O)[O-])c1C ZINC000324921235 336273922 /nfs/dbraw/zinc/27/39/22/336273922.db2.gz RWPRNCJLDAUKGU-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc3ccccc32)c(F)c1 ZINC000325109137 336279157 /nfs/dbraw/zinc/27/91/57/336279157.db2.gz YYFBLBPSUMKJJS-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM O=C([O-])c1ccc(CCC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000192985325 336286593 /nfs/dbraw/zinc/28/65/93/336286593.db2.gz ALZSVAXQYNUDRR-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM O=C([O-])[C@@H]1CCN(CC2CCC(F)(F)CC2)c2ccccc21 ZINC000514616049 336386419 /nfs/dbraw/zinc/38/64/19/336386419.db2.gz HRCQNFQOUZDWBX-CQSZACIVSA-N -1 0 309.356 3.890 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000358530633 336633529 /nfs/dbraw/zinc/63/35/29/336633529.db2.gz OSPNCZVALFOKFT-GFCCVEGCSA-N -1 0 315.394 3.714 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)o1 ZINC000358560407 336634561 /nfs/dbraw/zinc/63/45/61/336634561.db2.gz LOLSRSYRFOOWRW-UHFFFAOYSA-N -1 0 323.267 3.547 20 0 DHADRM CO[C@H](C)c1nc(=NCc2cc(Cl)cc(Cl)c2)s[n-]1 ZINC000359467426 336674105 /nfs/dbraw/zinc/67/41/05/336674105.db2.gz AZVOSJFXWMLFLC-SSDOTTSWSA-N -1 0 318.229 3.586 20 0 DHADRM Cc1n[nH]c(C)c1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000360180942 336703749 /nfs/dbraw/zinc/70/37/49/336703749.db2.gz FTDSEPANJZYGQW-XFFZJAGNSA-N -1 0 313.382 3.652 20 0 DHADRM O=C([O-])c1cc(NCc2ccc(F)c3cccnc23)ccc1F ZINC000362360915 336793555 /nfs/dbraw/zinc/79/35/55/336793555.db2.gz WHLSZSAAYUJKCZ-UHFFFAOYSA-N -1 0 314.291 3.823 20 0 DHADRM CC[C@H](NC(=O)CC1(CCc2ccccc2)CCCC1)C(=O)[O-] ZINC000362583641 336805209 /nfs/dbraw/zinc/80/52/09/336805209.db2.gz MDPJBUKOGLBFQW-INIZCTEOSA-N -1 0 317.429 3.549 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)C(C)(C)C ZINC000362609296 336806312 /nfs/dbraw/zinc/80/63/12/336806312.db2.gz QISLMWHLUOUTND-LBPRGKRZSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)(CC(=O)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000367999529 336834079 /nfs/dbraw/zinc/83/40/79/336834079.db2.gz VHCJHTAJHBDHPL-KGLIPLIRSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000370721947 336892075 /nfs/dbraw/zinc/89/20/75/336892075.db2.gz AYGZLLLNKZENJQ-MGPQQGTHSA-N -1 0 321.442 3.611 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000582423209 336970905 /nfs/dbraw/zinc/97/09/05/336970905.db2.gz MJJXIESWHLVCDS-XSCHDIRWSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@@H]1[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC000375170450 337005067 /nfs/dbraw/zinc/00/50/67/337005067.db2.gz GHAOROPMVTZRSJ-YNZJMPHRSA-N -1 0 317.335 3.592 20 0 DHADRM O=c1nc(CN2CC3(CCC3)c3ccccc32)[n-]c2ccsc21 ZINC000375455506 337011464 /nfs/dbraw/zinc/01/14/64/337011464.db2.gz BJTCLSUBKKKXPK-UHFFFAOYSA-N -1 0 323.421 3.839 20 0 DHADRM O=C(C1CC(c2ccccc2)C1)N1CCCc2cccc(O)c21 ZINC000378510094 337074761 /nfs/dbraw/zinc/07/47/61/337074761.db2.gz ZILGNLGLVBGNMO-UHFFFAOYSA-N -1 0 307.393 3.865 20 0 DHADRM COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2cccc(F)c2)cc1 ZINC000426760796 337087117 /nfs/dbraw/zinc/08/71/17/337087117.db2.gz UXSVQRCDIZOHAT-KRWDZBQOSA-N -1 0 317.360 3.530 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1 ZINC000172889465 337132151 /nfs/dbraw/zinc/13/21/51/337132151.db2.gz RXSPYJUTXVONDE-UHFFFAOYSA-N -1 0 321.446 3.562 20 0 DHADRM CC(C)[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000320998683 337151640 /nfs/dbraw/zinc/15/16/40/337151640.db2.gz NHYRMDSMPPRDQW-GOSISDBHSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000179980748 337172968 /nfs/dbraw/zinc/17/29/68/337172968.db2.gz RECJDKRUYZSXRL-HUUCEWRRSA-N -1 0 323.392 3.768 20 0 DHADRM CCc1cc(=O)[nH]c(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000181347198 337181564 /nfs/dbraw/zinc/18/15/64/337181564.db2.gz SOCYQERDNHRIET-KRWDZBQOSA-N -1 0 311.429 3.766 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000184338692 337197904 /nfs/dbraw/zinc/19/79/04/337197904.db2.gz UHJLSFSPUYLWGG-GFCCVEGCSA-N -1 0 319.763 3.814 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000583034890 337231969 /nfs/dbraw/zinc/23/19/69/337231969.db2.gz PETJXXBRJSJBQF-BDAKNGLRSA-N -1 0 318.200 3.672 20 0 DHADRM Oc1cc(F)cc(CN(Cc2ccco2)Cc2ccco2)c1 ZINC000186162457 337254041 /nfs/dbraw/zinc/25/40/41/337254041.db2.gz ZZWCQXCBLNIOFB-UHFFFAOYSA-N -1 0 301.317 3.920 20 0 DHADRM Cc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2c1 ZINC000321330567 337257171 /nfs/dbraw/zinc/25/71/71/337257171.db2.gz HIFSXJRFWXKZJB-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM CCCCc1nnc(NC(=O)c2oc(CC(C)C)nc2C)s1 ZINC000188291262 337272617 /nfs/dbraw/zinc/27/26/17/337272617.db2.gz XPAJTXGNYBWXFG-UHFFFAOYSA-N -1 0 322.434 3.628 20 0 DHADRM CCOc1cc(C)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000321941544 337305550 /nfs/dbraw/zinc/30/55/50/337305550.db2.gz FFLRWQVOYRJTPZ-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000013252874 337310637 /nfs/dbraw/zinc/31/06/37/337310637.db2.gz NUVPIEAGRCPLJD-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2ccc(Cl)cc2)CCCCCC1 ZINC000037367299 337364891 /nfs/dbraw/zinc/36/48/91/337364891.db2.gz OJZVFYWAMDJBML-UHFFFAOYSA-N -1 0 310.781 3.639 20 0 DHADRM O=C([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000119023484 337394193 /nfs/dbraw/zinc/39/41/93/337394193.db2.gz GFHXEBNYSBRMQU-LBPRGKRZSA-N -1 0 314.694 3.503 20 0 DHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(Br)c1[O-] ZINC000536807136 337394699 /nfs/dbraw/zinc/39/46/99/337394699.db2.gz RNXYMQFBKCXHCF-VHSXEESVSA-N -1 0 312.207 3.558 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000425246545 337443904 /nfs/dbraw/zinc/44/39/04/337443904.db2.gz WPZXVUBQWILFPJ-CJNGLKHVSA-N -1 0 319.401 3.695 20 0 DHADRM CC1(C)C(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C1(C)C ZINC000236628176 337464182 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CCCC[C@H](CC)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000572319094 337606868 /nfs/dbraw/zinc/60/68/68/337606868.db2.gz GKAZKTVHPJEUCF-KXBFYZLASA-N -1 0 319.445 3.752 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000262180463 337615857 /nfs/dbraw/zinc/61/58/57/337615857.db2.gz PYTPLWJXRNXPPD-LJQANCHMSA-N -1 0 323.392 3.585 20 0 DHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])[C@H]1CCCC[C@H]1C ZINC000262234850 337616035 /nfs/dbraw/zinc/61/60/35/337616035.db2.gz SWHUQSOHTWASNL-PBHICJAKSA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262343880 337617080 /nfs/dbraw/zinc/61/70/80/337617080.db2.gz GMTKNTJXMLCJSS-QWRGUYRKSA-N -1 0 307.365 3.563 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262429569 337617682 /nfs/dbraw/zinc/61/76/82/337617682.db2.gz BKZCSSLYKHAWMG-UHFFFAOYSA-N -1 0 307.415 3.771 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000262388993 337617969 /nfs/dbraw/zinc/61/79/69/337617969.db2.gz 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CCc1c(C)sc(NC(=O)c2sccc2C)c1C(=O)[O-] ZINC000263467504 337629865 /nfs/dbraw/zinc/62/98/65/337629865.db2.gz RFDBEZZJQXSXKJ-UHFFFAOYSA-N -1 0 309.412 3.939 20 0 DHADRM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(C(=O)[O-])cc1 ZINC000263484023 337630288 /nfs/dbraw/zinc/63/02/88/337630288.db2.gz OVUWMZLGXFCODX-UHFFFAOYSA-N -1 0 324.380 3.654 20 0 DHADRM CCOc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1F ZINC000263489830 337630447 /nfs/dbraw/zinc/63/04/47/337630447.db2.gz IEUALNBERXWULM-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM CC(C)c1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000263522032 337631166 /nfs/dbraw/zinc/63/11/66/337631166.db2.gz HRESABHWHXIKGV-NSHDSACASA-N -1 0 323.820 3.789 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CC[C@H](C)c1ccccc1 ZINC000263527304 337631295 /nfs/dbraw/zinc/63/12/95/337631295.db2.gz KOHYAYLFYPPBOZ-KBXCAEBGSA-N -1 0 305.418 3.576 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000263535408 337631420 /nfs/dbraw/zinc/63/14/20/337631420.db2.gz 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337809901 /nfs/dbraw/zinc/80/99/01/337809901.db2.gz APBITUNQLQPUED-UHFFFAOYSA-N -1 0 306.159 3.715 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424252106 337812715 /nfs/dbraw/zinc/81/27/15/337812715.db2.gz JYYGYGQKYGFRHI-WFASDCNBSA-N -1 0 321.442 3.512 20 0 DHADRM C[C@@H]1CCCN(C(=O)CCCCCc2cccs2)[C@H]1C(=O)[O-] ZINC000424267876 337813691 /nfs/dbraw/zinc/81/36/91/337813691.db2.gz VPUWGTMKNVGSMG-CZUORRHYSA-N -1 0 323.458 3.563 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OC(C)C)cc1 ZINC000106987093 337825298 /nfs/dbraw/zinc/82/52/98/337825298.db2.gz QFSDKDGSWCYHCC-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424380858 337828830 /nfs/dbraw/zinc/82/88/30/337828830.db2.gz LKLFTUDPQFUZDQ-UHFFFAOYSA-N -1 0 324.446 3.810 20 0 DHADRM C/C=C\c1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424392951 337830031 /nfs/dbraw/zinc/83/00/31/337830031.db2.gz VHUXNKLXEVZAJQ-ZRUQZJFASA-N -1 0 304.390 3.588 20 0 DHADRM CC(C)C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000424391165 337830066 /nfs/dbraw/zinc/83/00/66/337830066.db2.gz PVNBXGKOKSWAQX-OAHLLOKOSA-N -1 0 320.433 3.574 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)NCCC(C)(C)C(=O)[O-])c(C)c1 ZINC000424397323 337830191 /nfs/dbraw/zinc/83/01/91/337830191.db2.gz JPUVLTPDROMTKJ-AWEZNQCLSA-N -1 0 320.433 3.507 20 0 DHADRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)s1 ZINC000533165404 337832678 /nfs/dbraw/zinc/83/26/78/337832678.db2.gz VJUHWZSOPOPMSV-UHFFFAOYSA-N -1 0 324.471 3.841 20 0 DHADRM C[C@H]1C[C@H](C(=O)N2CCC(CCC(=O)[O-])CC2)CC(C)(C)C1 ZINC000514771684 337970594 /nfs/dbraw/zinc/97/05/94/337970594.db2.gz QRDKQOPWWQVIDY-ZFWWWQNUSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C3CCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000516156445 338006575 /nfs/dbraw/zinc/00/65/75/338006575.db2.gz XURMIRUEPCSUNC-MLGOLLRUSA-N -1 0 316.401 3.671 20 0 DHADRM CC(C)c1csc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n1 ZINC000517011120 338007362 /nfs/dbraw/zinc/00/73/62/338007362.db2.gz 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CCC(CC)(CC(=O)[O-])NC(=O)CCC(C)(C)c1ccccc1 ZINC000431785181 338138709 /nfs/dbraw/zinc/13/87/09/338138709.db2.gz OHMQSSMDBNQHMT-UHFFFAOYSA-N -1 0 319.445 3.894 20 0 DHADRM CCC(CC)(CNC(=O)[C@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000431784625 338138788 /nfs/dbraw/zinc/13/87/88/338138788.db2.gz YKKYJQXLPKSHJI-OAHLLOKOSA-N -1 0 319.445 3.653 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1Cl ZINC000431795243 338139015 /nfs/dbraw/zinc/13/90/15/338139015.db2.gz OTSNTNCHFNFKOB-AWEZNQCLSA-N -1 0 323.820 3.802 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000435718011 338246113 /nfs/dbraw/zinc/24/61/13/338246113.db2.gz AYGZLLLNKZENJQ-RUXDESIVSA-N -1 0 321.442 3.611 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000435722803 338246198 /nfs/dbraw/zinc/24/61/98/338246198.db2.gz OMVTTXPBQUUGIN-DLBZAZTESA-N -1 0 315.413 3.717 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1cccnc1 ZINC000436106981 338258454 /nfs/dbraw/zinc/25/84/54/338258454.db2.gz 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ZINC000436567603 338277551 /nfs/dbraw/zinc/27/75/51/338277551.db2.gz ZFHLVXVSVHEPLF-UHFFFAOYSA-N -1 0 305.374 3.689 20 0 DHADRM CC(C)[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436583372 338277556 /nfs/dbraw/zinc/27/75/56/338277556.db2.gz JQESCYULXRTXSU-VIFPVBQESA-N -1 0 302.201 3.817 20 0 DHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1[O-] ZINC000436579080 338278245 /nfs/dbraw/zinc/27/82/45/338278245.db2.gz WTXVSDJJBBPIGR-UKRRQHHQSA-N -1 0 313.372 3.625 20 0 DHADRM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000436628285 338280642 /nfs/dbraw/zinc/28/06/42/338280642.db2.gz YEZYFLFHDXYJGS-CQSZACIVSA-N -1 0 315.800 3.984 20 0 DHADRM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436633018 338280856 /nfs/dbraw/zinc/28/08/56/338280856.db2.gz YBVFJMQBWKYSQB-SMDDNHRTSA-N -1 0 311.784 3.883 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc3cc[nH]c32)c1 ZINC000436644233 338281154 /nfs/dbraw/zinc/28/11/54/338281154.db2.gz IGMWUMQVAUWPFH-UHFFFAOYSA-N -1 0 308.337 3.719 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccccc2Cl)c1 ZINC000436648715 338281390 /nfs/dbraw/zinc/28/13/90/338281390.db2.gz USXPGAOCLQHDBB-UHFFFAOYSA-N -1 0 303.745 3.891 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCO[C@H](C)CC(C)C)c1 ZINC000436649911 338281484 /nfs/dbraw/zinc/28/14/84/338281484.db2.gz XWARHXKKWXIFFM-CYBMUJFWSA-N -1 0 321.417 3.765 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cncc3ccccc32)c1 ZINC000436649578 338281509 /nfs/dbraw/zinc/28/15/09/338281509.db2.gz XGPHCKKPRMHXEJ-UHFFFAOYSA-N -1 0 320.348 3.785 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)c2cccnc2)c1 ZINC000436650283 338281521 /nfs/dbraw/zinc/28/15/21/338281521.db2.gz YPJRTUUOTQCNDP-LBPRGKRZSA-N -1 0 312.369 3.512 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc(CC)nc2C)c1 ZINC000436659506 338281958 /nfs/dbraw/zinc/28/19/58/338281958.db2.gz RNQNNJLJPZYQSW-UHFFFAOYSA-N -1 0 318.398 3.565 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(CC)c2C)c1 ZINC000436660490 338282072 /nfs/dbraw/zinc/28/20/72/338282072.db2.gz 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ZINC000436766497 338286405 /nfs/dbraw/zinc/28/64/05/338286405.db2.gz DXCIXZKVQZCNQV-SSDOTTSWSA-N -1 0 312.728 3.939 20 0 DHADRM CC(C)(C)Nc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000436773715 338286902 /nfs/dbraw/zinc/28/69/02/338286902.db2.gz KKQQUWHRGRIGSQ-UHFFFAOYSA-N -1 0 302.349 3.994 20 0 DHADRM CC(C)(NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000436782946 338287126 /nfs/dbraw/zinc/28/71/26/338287126.db2.gz ZXFOFBUDVAYJBQ-UHFFFAOYSA-N -1 0 307.752 3.850 20 0 DHADRM CCC1(CC)CN(C(=O)c2ccc([O-])c(Cl)c2)CCS1 ZINC000436802691 338288039 /nfs/dbraw/zinc/28/80/39/338288039.db2.gz DXJUPXHEMYUWQM-UHFFFAOYSA-N -1 0 313.850 3.793 20 0 DHADRM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000436841818 338289558 /nfs/dbraw/zinc/28/95/58/338289558.db2.gz VIWJDJBIAUZMIX-OAHLLOKOSA-N -1 0 315.800 3.969 20 0 DHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2[O-])nc1 ZINC000436863883 338290392 /nfs/dbraw/zinc/29/03/92/338290392.db2.gz KIPJEGDLFBSUSV-UHFFFAOYSA-N -1 0 320.776 3.870 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccc(C)cc2)c1 ZINC000436878809 338291382 /nfs/dbraw/zinc/29/13/82/338291382.db2.gz UWMKHRAFAYGYMW-ARJAWSKDSA-N -1 0 309.365 3.945 20 0 DHADRM CN(CCCc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436899964 338292789 /nfs/dbraw/zinc/29/27/89/338292789.db2.gz MCAJZAZMNIGULS-UHFFFAOYSA-N -1 0 321.779 3.890 20 0 DHADRM C[C@@H]1c2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436931031 338294013 /nfs/dbraw/zinc/29/40/13/338294013.db2.gz YOOSHTGTKYEXQT-SECBINFHSA-N -1 0 305.736 3.902 20 0 DHADRM O=C(NCC(F)(F)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436931805 338294233 /nfs/dbraw/zinc/29/42/33/338294233.db2.gz MLFTVMBRVFUWLP-UHFFFAOYSA-N -1 0 311.715 3.567 20 0 DHADRM CC(C)CN(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000436944625 338295086 /nfs/dbraw/zinc/29/50/86/338295086.db2.gz KSCZTVHDVNABOW-UHFFFAOYSA-N -1 0 301.361 3.830 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccn2C2CCCC2)c1 ZINC000436946931 338295370 /nfs/dbraw/zinc/29/53/70/338295370.db2.gz CQTCHJIGGLLQDW-UHFFFAOYSA-N -1 0 312.369 3.764 20 0 DHADRM Cc1cccc(C)c1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436957690 338295945 /nfs/dbraw/zinc/29/59/45/338295945.db2.gz ZWXWVMOWAIMJRK-UHFFFAOYSA-N -1 0 321.779 3.774 20 0 DHADRM C[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1[O-])C(F)(F)F ZINC000436957725 338295992 /nfs/dbraw/zinc/29/59/92/338295992.db2.gz WWCJUZNHUBVTNG-RXMQYKEDSA-N -1 0 316.106 3.627 20 0 DHADRM C[C@@]1(CNC(=O)c2ccc([O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC000436960266 338296033 /nfs/dbraw/zinc/29/60/33/338296033.db2.gz JXZKEHFVWFKMBR-KSSFIOAISA-N -1 0 315.800 3.969 20 0 DHADRM CCc1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000436971391 338296341 /nfs/dbraw/zinc/29/63/41/338296341.db2.gz OJPHHBLYGSIFNS-UHFFFAOYSA-N -1 0 311.168 3.909 20 0 DHADRM O=C(Nc1ccc(Oc2ccccn2)cc1)c1c([O-])cccc1F ZINC000436980383 338296591 /nfs/dbraw/zinc/29/65/91/338296591.db2.gz PQSAKNFWYCMYQF-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM Cc1oc2ccccc2c1CCNC(=O)c1c(O)cccc1F ZINC000436985906 338296798 /nfs/dbraw/zinc/29/67/98/338296798.db2.gz 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600596362 /nfs/dbraw/zinc/59/63/62/600596362.db2.gz GMPVOIOMJHPGAE-UHFFFAOYSA-N -1 0 316.401 3.617 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-] ZINC000738690414 600600479 /nfs/dbraw/zinc/60/04/79/600600479.db2.gz JIPBXTIMSWNMET-QWHCGFSZSA-N -1 0 323.458 3.899 20 0 DHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000736545988 600604224 /nfs/dbraw/zinc/60/42/24/600604224.db2.gz UZVCDDAODPHGBJ-CQSZACIVSA-N -1 0 303.402 3.711 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000736891309 600604689 /nfs/dbraw/zinc/60/46/89/600604689.db2.gz MPVAGCSIDILKGY-YNEHKIRRSA-N -1 0 323.458 3.981 20 0 DHADRM CCc1cccc(CC)c1NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-] ZINC000737266687 600606312 /nfs/dbraw/zinc/60/63/12/600606312.db2.gz HCQCRYOGYKGJET-NWDGAFQWSA-N -1 0 323.458 3.592 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000147484496 600623127 /nfs/dbraw/zinc/62/31/27/600623127.db2.gz OBXRMAUKJGWKGR-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@H](CC(=O)[O-])Sc1ncnc2sc3c(c21)CCCC3 ZINC000736555111 600624970 /nfs/dbraw/zinc/62/49/70/600624970.db2.gz BBVRGKIWRMYEPD-MRVPVSSYSA-N -1 0 308.428 3.525 20 0 DHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)C1 ZINC000736749183 600625613 /nfs/dbraw/zinc/62/56/13/600625613.db2.gz IILJJXPFGDZPTJ-IAZYJMLFSA-N -1 0 323.368 3.862 20 0 DHADRM Cc1ccnc(-c2ccc(NCc3cccc(C(=O)[O-])c3)cc2)n1 ZINC000738793558 600626621 /nfs/dbraw/zinc/62/66/21/600626621.db2.gz YVHQZMFWVZJZLZ-UHFFFAOYSA-N -1 0 319.364 3.762 20 0 DHADRM CN(Cc1ccc(NC(=O)NCCCC(C)(C)C)cc1)C(=O)[O-] ZINC000737483662 600626723 /nfs/dbraw/zinc/62/67/23/600626723.db2.gz SCRBDYCHYHDWFI-UHFFFAOYSA-N -1 0 321.421 3.744 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000315473331 600652770 /nfs/dbraw/zinc/65/27/70/600652770.db2.gz VDJWSAWTWHSAIZ-SCDSUCTJSA-N -1 0 304.390 3.639 20 0 DHADRM O=C([O-])[C@@H](OC(=O)c1sccc1C1CC1)c1ccccc1F ZINC000833351186 600653618 /nfs/dbraw/zinc/65/36/18/600653618.db2.gz 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/nfs/dbraw/zinc/69/16/62/600691662.db2.gz YBGYIKOSRCLENC-CABCVRRESA-N -1 0 319.426 3.522 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3ccc(F)cc3)n2)c1 ZINC000833328037 600693412 /nfs/dbraw/zinc/69/34/12/600693412.db2.gz RVQSCSVQCMEZFV-GJZGRUSLSA-N -1 0 324.311 3.845 20 0 DHADRM Cc1cccc([C@H](C)c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832966519 600695543 /nfs/dbraw/zinc/69/55/43/600695543.db2.gz PQWUZGKUXUGRBU-LBPRGKRZSA-N -1 0 308.337 3.895 20 0 DHADRM O=C([O-])c1cccc(-c2noc(CSc3ccccc3)n2)c1 ZINC000317679001 600696023 /nfs/dbraw/zinc/69/60/23/600696023.db2.gz HDZHHCVYWBJKMF-UHFFFAOYSA-N -1 0 312.350 3.727 20 0 DHADRM COc1ccc(/C=C/c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832282434 600696681 /nfs/dbraw/zinc/69/66/81/600696681.db2.gz TYKSNWIJBIOXQM-JXMROGBWSA-N -1 0 322.320 3.614 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3ccc4ccccc4n3)n2)c1 ZINC000324777396 600697568 /nfs/dbraw/zinc/69/75/68/600697568.db2.gz GNCXQUZFGPXDRI-UHFFFAOYSA-N -1 0 317.304 3.650 20 0 DHADRM C/C(=C\c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000825798595 600697733 /nfs/dbraw/zinc/69/77/33/600697733.db2.gz PUBNKFHYCWJOQT-ZRDIBKRKSA-N -1 0 306.321 3.995 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000833288841 600703227 /nfs/dbraw/zinc/70/32/27/600703227.db2.gz NBBPIMYBFZPVAY-QFBILLFUSA-N -1 0 322.364 3.619 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000833285476 600703268 /nfs/dbraw/zinc/70/32/68/600703268.db2.gz GQDKGPQTWDXWOB-QFBILLFUSA-N -1 0 322.364 3.619 20 0 DHADRM Cc1cc2cc(C(=O)OCc3cc(C(=O)[O-])co3)oc2cc1C ZINC000832906178 600722001 /nfs/dbraw/zinc/72/20/01/600722001.db2.gz VZGQXGVIRSBJTA-UHFFFAOYSA-N -1 0 314.293 3.698 20 0 DHADRM C/C(=C/CSc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000825792268 600725232 /nfs/dbraw/zinc/72/52/32/600725232.db2.gz AZLOAOSDBJGDQO-TWGQIWQCSA-N -1 0 320.439 3.693 20 0 DHADRM C/C(=C\CSc1nnc(-c2ccc(Cl)s2)o1)C(=O)[O-] ZINC000825793071 600729180 /nfs/dbraw/zinc/72/91/80/600729180.db2.gz 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ZINC000738747903 600770010 /nfs/dbraw/zinc/77/00/10/600770010.db2.gz PASHHIIASZSHBJ-UHFFFAOYSA-N -1 0 323.352 3.747 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1 ZINC000826736727 600774506 /nfs/dbraw/zinc/77/45/06/600774506.db2.gz WDHHYRPXCFUOSP-SNVBAGLBSA-N -1 0 316.361 3.656 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833333761 600785421 /nfs/dbraw/zinc/78/54/21/600785421.db2.gz VRVCQBKHNHUNPU-OXQOHEQNSA-N -1 0 321.376 3.618 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000833289426 600785746 /nfs/dbraw/zinc/78/57/46/600785746.db2.gz IEBPBJIGMZAMLG-APWZRJJASA-N -1 0 323.348 3.586 20 0 DHADRM CCOc1ccccc1OCCOc1cc(C)sc1C(=O)[O-] ZINC000316204641 600803425 /nfs/dbraw/zinc/80/34/25/600803425.db2.gz PWYSGOLEMUOBSO-UHFFFAOYSA-N -1 0 322.382 3.611 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000829075322 600804275 /nfs/dbraw/zinc/80/42/75/600804275.db2.gz PLGABASUVQILSQ-KCJUWKMLSA-N -1 0 319.430 3.631 20 0 DHADRM Cc1ccccc1-c1noc([C@H](C)S[C@@H](C)CC(=O)[O-])n1 ZINC000832974338 600805766 /nfs/dbraw/zinc/80/57/66/600805766.db2.gz JIXAQJVKXPHGCI-QWRGUYRKSA-N -1 0 306.387 3.702 20 0 DHADRM O=C([O-])c1cc(F)ccc1COc1cccc2c1CCCC2=O ZINC000833298753 600806398 /nfs/dbraw/zinc/80/63/98/600806398.db2.gz FIERYNVJSNPUTA-UHFFFAOYSA-N -1 0 314.312 3.622 20 0 DHADRM Cc1ccc2cccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)c2n1 ZINC000738675364 600807394 /nfs/dbraw/zinc/80/73/94/600807394.db2.gz LQDWQCVFNVZXLO-KRWDZBQOSA-N -1 0 321.332 3.526 20 0 DHADRM CCCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000829356437 600808532 /nfs/dbraw/zinc/80/85/32/600808532.db2.gz FDNIIDBSQMPZQE-CQSZACIVSA-N -1 0 311.809 3.942 20 0 DHADRM CC(C)C[C@H](CNc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC000826785896 600817331 /nfs/dbraw/zinc/81/73/31/600817331.db2.gz HAPUSRGKJLCLSE-LLVKDONJSA-N -1 0 313.357 3.535 20 0 DHADRM O=C([O-])c1sc(N[C@H]2C[C@@H]2Cc2ccccc2)nc1Cl ZINC000833345481 600817734 /nfs/dbraw/zinc/81/77/34/600817734.db2.gz AGDCNVGKHFFPHN-UWVGGRQHSA-N -1 0 308.790 3.538 20 0 DHADRM C[C@@]1(c2ccccc2)C[C@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000828122753 600818032 /nfs/dbraw/zinc/81/80/32/600818032.db2.gz RFFLYLDUDBGCSS-OTYXRUKQSA-N -1 0 308.790 3.637 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000486190987 600823377 /nfs/dbraw/zinc/82/33/77/600823377.db2.gz LNADCFGNKFAPIX-GJZGRUSLSA-N -1 0 301.386 3.848 20 0 DHADRM Cc1cc(C)cc(NC(=S)Nc2ccc(C(=O)[O-])s2)c1 ZINC000832879177 600826522 /nfs/dbraw/zinc/82/65/22/600826522.db2.gz YBNHXOOSMBXNRB-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(F)cc1F ZINC000740080042 600831052 /nfs/dbraw/zinc/83/10/52/600831052.db2.gz AEOSQBVWOAAEIE-MNOVXSKESA-N -1 0 323.339 3.818 20 0 DHADRM Cc1ccc(-c2cnc(COc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000832906893 600833544 /nfs/dbraw/zinc/83/35/44/600833544.db2.gz DOSPRROAKCNCEG-UHFFFAOYSA-N -1 0 309.321 3.927 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C1CCCCCCC1)c1ccc(F)cc1 ZINC000190493838 600834749 /nfs/dbraw/zinc/83/47/49/600834749.db2.gz SCOAMLRAMVMSSY-INIZCTEOSA-N -1 0 321.392 3.818 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)C1CCCCCCC1 ZINC000738083398 600834925 /nfs/dbraw/zinc/83/49/25/600834925.db2.gz BFVFYEHSOFKEEI-UHFFFAOYSA-N -1 0 306.358 3.659 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738085785 600834985 /nfs/dbraw/zinc/83/49/85/600834985.db2.gz RMAIBKKBDSGGJJ-UONOGXRCSA-N -1 0 318.369 3.515 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000389581200 600835321 /nfs/dbraw/zinc/83/53/21/600835321.db2.gz FBVDABJBZPPISX-JKSUJKDBSA-N -1 0 311.466 3.798 20 0 DHADRM COc1ccc(NC(=O)C2CCCCCCC2)c(C(=O)[O-])c1 ZINC000316479013 600835472 /nfs/dbraw/zinc/83/54/72/600835472.db2.gz MJHINXJXQGAUNB-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CCCC[C@H](Sc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC000829296613 600838807 /nfs/dbraw/zinc/83/88/07/600838807.db2.gz WAGKZALHZMIECK-NSHDSACASA-N -1 0 308.428 3.941 20 0 DHADRM C[C@@H](CCO)SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000827417436 600840988 /nfs/dbraw/zinc/84/09/88/600840988.db2.gz IGMGXPTXOBPYSE-JTQLQIEISA-N -1 0 323.439 3.512 20 0 DHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000826841141 600841154 /nfs/dbraw/zinc/84/11/54/600841154.db2.gz VSXAJCVUAHAMRK-ZDUSSCGKSA-N -1 0 319.405 3.701 20 0 DHADRM C[C@@H](SCc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H](C)O ZINC000827780225 600843091 /nfs/dbraw/zinc/84/30/91/600843091.db2.gz IJFHVFPFIRDVCJ-VHSXEESVSA-N -1 0 323.439 3.511 20 0 DHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000399723568 600843731 /nfs/dbraw/zinc/84/37/31/600843731.db2.gz IMGDWRPRYSQSSB-GXSJLCMTSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000313917279 600844692 /nfs/dbraw/zinc/84/46/92/600844692.db2.gz XIDUSLLAYOXXKL-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237330118 600847918 /nfs/dbraw/zinc/84/79/18/600847918.db2.gz 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COc1cc(C(=O)[O-])cc(N[C@@H](C)c2ccccc2)c1OC ZINC000831913433 600895727 /nfs/dbraw/zinc/89/57/27/600895727.db2.gz PNJJKXIUGYHGEH-NSHDSACASA-N -1 0 301.342 3.575 20 0 DHADRM Cc1cccc(CSCC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000035425094 600900309 /nfs/dbraw/zinc/90/03/09/600900309.db2.gz JJRWFWIDCXAHNC-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cn2)C1 ZINC000833185252 600905365 /nfs/dbraw/zinc/90/53/65/600905365.db2.gz GERIDMXPPFTVAY-CABCVRRESA-N -1 0 324.380 3.578 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000262384148 600914516 /nfs/dbraw/zinc/91/45/16/600914516.db2.gz IXZLKZVTWJILSN-VIKVFOODSA-N -1 0 317.385 3.547 20 0 DHADRM CC(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647119881 600915210 /nfs/dbraw/zinc/91/52/10/600915210.db2.gz UYJGYRNZMFIKRX-SJORKVTESA-N -1 0 317.429 3.562 20 0 DHADRM O=C([O-])NCC1(c2cccc(Br)c2)CCCCC1 ZINC000833279711 600919710 /nfs/dbraw/zinc/91/97/10/600919710.db2.gz 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CC(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000826676420 600944368 /nfs/dbraw/zinc/94/43/68/600944368.db2.gz IKDUQPILGMMOSS-KRWDZBQOSA-N -1 0 312.365 3.868 20 0 DHADRM CC(C)[C@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000826677018 600946639 /nfs/dbraw/zinc/94/66/39/600946639.db2.gz NXRCKIWDTKHADA-SFHVURJKSA-N -1 0 312.365 3.659 20 0 DHADRM CC(C)C[C@@H](OC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC000826821102 600950713 /nfs/dbraw/zinc/95/07/13/600950713.db2.gz XQFGDZNDWWZQOD-CQSZACIVSA-N -1 0 310.415 3.843 20 0 DHADRM Cc1ccc(SCCC(=O)O[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000832957202 600952903 /nfs/dbraw/zinc/95/29/03/600952903.db2.gz DUMJXLXOQMSZGL-AWEZNQCLSA-N -1 0 310.415 3.520 20 0 DHADRM O=C([O-])C[C@H]1CN(Cc2cc(-c3ccco3)on2)c2ccccc21 ZINC000325197177 600958661 /nfs/dbraw/zinc/95/86/61/600958661.db2.gz IHTMHQORHOBEBE-LBPRGKRZSA-N -1 0 324.336 3.513 20 0 DHADRM CC[C@@H](Cc1ccccc1)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828900306 600961228 /nfs/dbraw/zinc/96/12/28/600961228.db2.gz 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600982793 /nfs/dbraw/zinc/98/27/93/600982793.db2.gz VOLCLJLTAZDOST-OAHLLOKOSA-N -1 0 307.752 3.737 20 0 DHADRM CCO[C@@H](C)c1nc(COc2cc(C(=O)[O-])ccc2C)cs1 ZINC000737156829 600984090 /nfs/dbraw/zinc/98/40/90/600984090.db2.gz HBGWOAYQVQCUPR-NSHDSACASA-N -1 0 321.398 3.826 20 0 DHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000739012816 600993492 /nfs/dbraw/zinc/99/34/92/600993492.db2.gz QYAPGGMJMLZMMF-UHFFFAOYSA-N -1 0 320.348 3.643 20 0 DHADRM Cc1csc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000832989289 600993655 /nfs/dbraw/zinc/99/36/55/600993655.db2.gz JBBHABBLZBIUFL-ZIAGYGMSSA-N -1 0 320.389 3.553 20 0 DHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000317277411 600994079 /nfs/dbraw/zinc/99/40/79/600994079.db2.gz UBCLDJMLXQWEFS-AWEZNQCLSA-N -1 0 306.406 3.678 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000558002416 600994625 /nfs/dbraw/zinc/99/46/25/600994625.db2.gz AJRYSSVUBDPYTB-SNVBAGLBSA-N -1 0 303.745 3.780 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000323804677 600996372 /nfs/dbraw/zinc/99/63/72/600996372.db2.gz MDGFLKHASOUDBQ-UHFFFAOYSA-N -1 0 316.401 3.881 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000832916330 600997551 /nfs/dbraw/zinc/99/75/51/600997551.db2.gz MKPCROKUUMYXFS-QFBILLFUSA-N -1 0 324.380 3.545 20 0 DHADRM C[C@@H](C(=O)Nc1sccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000736219488 601003966 /nfs/dbraw/zinc/00/39/66/601003966.db2.gz PFPPMQZDZWHLOO-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829245152 601007162 /nfs/dbraw/zinc/00/71/62/601007162.db2.gz FSOMHJKIYDRQLA-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000833152839 601011324 /nfs/dbraw/zinc/01/13/24/601011324.db2.gz ZYOWPOCJOJIHKL-OCCSQVGLSA-N -1 0 320.364 3.614 20 0 DHADRM CCCc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000236944859 601017436 /nfs/dbraw/zinc/01/74/36/601017436.db2.gz 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CCC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000828608975 601066809 /nfs/dbraw/zinc/06/68/09/601066809.db2.gz KBRRAIKZKXWDCM-CQSZACIVSA-N -1 0 323.458 3.867 20 0 DHADRM CCC[C@H](C)CC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000829207605 601080180 /nfs/dbraw/zinc/08/01/80/601080180.db2.gz BUQAVZNVALOOJI-CWRNSKLLSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000740104940 601087172 /nfs/dbraw/zinc/08/71/72/601087172.db2.gz DYLQSFQIPORFDW-HNNXBMFYSA-N -1 0 315.756 3.625 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCCCCCC2)cc1 ZINC000321219969 601096547 /nfs/dbraw/zinc/09/65/47/601096547.db2.gz YRLCAHKALPRVFW-UHFFFAOYSA-N -1 0 318.417 3.847 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237711998 601109423 /nfs/dbraw/zinc/10/94/23/601109423.db2.gz RCQOIJHFIMGLON-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828527611 601129442 /nfs/dbraw/zinc/12/94/42/601129442.db2.gz 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601187226 /nfs/dbraw/zinc/18/72/26/601187226.db2.gz SEAXBZYEWCBNIM-WZUFQYTHSA-N -1 0 315.413 3.774 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000388926665 601192507 /nfs/dbraw/zinc/19/25/07/601192507.db2.gz WBFFPYJNKKZHRR-ZDUSSCGKSA-N -1 0 306.406 3.604 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000829285486 601196541 /nfs/dbraw/zinc/19/65/41/601196541.db2.gz MWICAQLHFOIERZ-CYBMUJFWSA-N -1 0 324.421 3.787 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1cc(F)cc(Br)c1 ZINC000086694470 601207992 /nfs/dbraw/zinc/20/79/92/601207992.db2.gz WYJHVTAHHJHGAR-SSDOTTSWSA-N -1 0 307.184 3.685 20 0 DHADRM CCN(Cc1cccs1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000128980445 601247315 /nfs/dbraw/zinc/24/73/15/601247315.db2.gz UXADBPXZGBRZNU-UHFFFAOYSA-N -1 0 302.808 3.583 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC12CCCC2 ZINC000262602271 601269559 /nfs/dbraw/zinc/26/95/59/601269559.db2.gz KBAFRYCIASVXJI-CYBMUJFWSA-N -1 0 317.385 3.691 20 0 DHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829014640 601277719 /nfs/dbraw/zinc/27/77/19/601277719.db2.gz LYVQSLYWZUUOBX-ZDUSSCGKSA-N -1 0 319.382 3.551 20 0 DHADRM C/C=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000776619962 601289658 /nfs/dbraw/zinc/28/96/58/601289658.db2.gz BBIWEFOFZAOZLI-KXCGHJCSSA-N -1 0 303.402 3.582 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)sc1Cl ZINC000262038867 601307211 /nfs/dbraw/zinc/30/72/11/601307211.db2.gz CJTSPIVEYBYXKC-UHFFFAOYSA-N -1 0 324.229 3.818 20 0 DHADRM Cc1nc(COc2ccccc2NC(=O)[O-])nc2ccccc12 ZINC000833000214 601319128 /nfs/dbraw/zinc/31/91/28/601319128.db2.gz DLOGRDOJYSSCSM-UHFFFAOYSA-N -1 0 309.325 3.607 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828200837 601333587 /nfs/dbraw/zinc/33/35/87/601333587.db2.gz JKIUGQXSNWCGGW-HFAKWTLXSA-N -1 0 320.364 3.709 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828199823 601335398 /nfs/dbraw/zinc/33/53/98/601335398.db2.gz 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C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CC1 ZINC000826061239 601403866 /nfs/dbraw/zinc/40/38/66/601403866.db2.gz HBNICIPXGIRUED-JVXZTZIISA-N -1 0 317.168 3.708 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSC[C@H](O)c1ccccc1 ZINC000830394244 601406518 /nfs/dbraw/zinc/40/65/18/601406518.db2.gz BLVQCRDIVBBDHJ-ZDUSSCGKSA-N -1 0 306.383 3.507 20 0 DHADRM COc1ccc(OCCSCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832444298 601406770 /nfs/dbraw/zinc/40/67/70/601406770.db2.gz LYXUIVGTKVOHIR-UHFFFAOYSA-N -1 0 322.382 3.607 20 0 DHADRM C[C@H](C(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000156243609 601407150 /nfs/dbraw/zinc/40/71/50/601407150.db2.gz LCEDGYYHVBOUPZ-JTQLQIEISA-N -1 0 323.801 3.623 20 0 DHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000006581282 601407908 /nfs/dbraw/zinc/40/79/08/601407908.db2.gz UDDBHJRKRGEVQR-AWEZNQCLSA-N -1 0 318.760 3.678 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1c1nccs1 ZINC000830368801 601415971 /nfs/dbraw/zinc/41/59/71/601415971.db2.gz CPTFKVVBFYYYNL-LBPRGKRZSA-N 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O=C([O-])c1ccc(CN(Cc2cccs2)CC(F)(F)F)o1 ZINC000833314626 601548842 /nfs/dbraw/zinc/54/88/42/601548842.db2.gz MKFBKHYTUALTGP-UHFFFAOYSA-N -1 0 319.304 3.604 20 0 DHADRM O=C([O-])c1ccoc1CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000833335981 601563272 /nfs/dbraw/zinc/56/32/72/601563272.db2.gz IAGKGXOTLSTDQR-UHFFFAOYSA-N -1 0 323.348 3.796 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C/C=C/c1ccc(C)cc1 ZINC000832929860 601568345 /nfs/dbraw/zinc/56/83/45/601568345.db2.gz SBWWRDMKNBWQEQ-ONEGZZNKSA-N -1 0 314.337 3.741 20 0 DHADRM Cc1ccc(-c2nc(CN3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000261596061 601576743 /nfs/dbraw/zinc/57/67/43/601576743.db2.gz AENSRNKXBNACCH-OAHLLOKOSA-N -1 0 316.426 3.558 20 0 DHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1 ZINC000827956718 601604232 /nfs/dbraw/zinc/60/42/32/601604232.db2.gz JIRWHRCZPYUVPJ-NSHDSACASA-N -1 0 314.341 3.735 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)cc1 ZINC000776667210 601619802 /nfs/dbraw/zinc/61/98/02/601619802.db2.gz MJXOONUWWRNTHZ-HNNXBMFYSA-N -1 0 321.804 3.863 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000830513475 601621181 /nfs/dbraw/zinc/62/11/81/601621181.db2.gz BPKKRNKCGRUYBN-DOMZBBRYSA-N -1 0 317.389 3.597 20 0 DHADRM Cn1c2ccccc2nc1SCc1ccc(C(=O)[O-])c(F)c1 ZINC000833039775 601622580 /nfs/dbraw/zinc/62/25/80/601622580.db2.gz QMRASMBBYWLZPF-UHFFFAOYSA-N -1 0 316.357 3.703 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1c(F)cccc1F ZINC000829718126 601626314 /nfs/dbraw/zinc/62/63/14/601626314.db2.gz DTFKWFXVHYATBW-UHFFFAOYSA-N -1 0 323.314 3.824 20 0 DHADRM Cc1nc(C(=O)[O-])cn1Cc1c(C)cc(C(C)(C)C)cc1C ZINC000832871095 601637193 /nfs/dbraw/zinc/63/71/93/601637193.db2.gz OJGKAQWBSGRPSG-UHFFFAOYSA-N -1 0 300.402 3.852 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000236662955 601642367 /nfs/dbraw/zinc/64/23/67/601642367.db2.gz IKYXVFYSSVKHCT-ILXRZTDVSA-N -1 0 323.820 3.593 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000828765182 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C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(NC(=O)[O-])cc1 ZINC000739096308 602431073 /nfs/dbraw/zinc/43/10/73/602431073.db2.gz DGGSFASZXYAXSY-GXFFZTMASA-N -1 0 307.419 3.642 20 0 DHADRM CC(C)(C)CCCCNC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738696923 602476684 /nfs/dbraw/zinc/47/66/84/602476684.db2.gz MMOYXKZCLASQIU-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM CC(C)c1csc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000738878180 602482401 /nfs/dbraw/zinc/48/24/01/602482401.db2.gz FMTGCKFHTHTVKS-UHFFFAOYSA-N -1 0 323.349 3.748 20 0 DHADRM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739086463 602483928 /nfs/dbraw/zinc/48/39/28/602483928.db2.gz ARFBCAUYNLZQLL-PWSUYJOCSA-N -1 0 308.353 3.566 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000740115540 602486489 /nfs/dbraw/zinc/48/64/89/602486489.db2.gz WEAGHLOLKFHOGQ-SECBINFHSA-N -1 0 322.361 3.777 20 0 DHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC000739383909 602487735 /nfs/dbraw/zinc/48/77/35/602487735.db2.gz 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602515671 /nfs/dbraw/zinc/51/56/71/602515671.db2.gz QDQCAXUSAKGELG-KRWDZBQOSA-N -1 0 324.380 3.513 20 0 DHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736823270 602519187 /nfs/dbraw/zinc/51/91/87/602519187.db2.gz BWWOAHAQBUEFNE-GFCCVEGCSA-N -1 0 310.353 3.616 20 0 DHADRM CCN(Cc1cccc(NC(=O)N(C)[C@H](C)C(C)C)c1)C(=O)[O-] ZINC000739441234 602566397 /nfs/dbraw/zinc/56/63/97/602566397.db2.gz GCTSTPNKNOBFGU-CYBMUJFWSA-N -1 0 321.421 3.695 20 0 DHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738815184 602599793 /nfs/dbraw/zinc/59/97/93/602599793.db2.gz AOUGQRUEWDKKQG-CQSZACIVSA-N -1 0 305.378 3.819 20 0 DHADRM COc1cc(Cl)ccc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739864473 602625712 /nfs/dbraw/zinc/62/57/12/602625712.db2.gz SQANBCRXNZEIHB-UHFFFAOYSA-N -1 0 320.732 3.691 20 0 DHADRM O=C([O-])N[C@@H](CCC(=O)OCc1ccccc1)c1ccccc1 ZINC000740537734 602643079 /nfs/dbraw/zinc/64/30/79/602643079.db2.gz ARYRKXBJGWLLEP-INIZCTEOSA-N -1 0 313.353 3.519 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739303270 602646318 /nfs/dbraw/zinc/64/63/18/602646318.db2.gz VGHLSDABBKHBEO-CYBMUJFWSA-N -1 0 318.417 3.560 20 0 DHADRM Cc1ccc(CN(C(=O)[O-])c2ccc3c(c2)OCCO3)s1 ZINC000738591592 602666278 /nfs/dbraw/zinc/66/62/78/602666278.db2.gz FASSWQOCUUEAOI-UHFFFAOYSA-N -1 0 305.355 3.512 20 0 DHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736925166 602668175 /nfs/dbraw/zinc/66/81/75/602668175.db2.gz SNXKCCCZIXNMMZ-HNNXBMFYSA-N -1 0 313.357 3.606 20 0 DHADRM CCN(Cc1cccc(NC(=O)C2(C)CCCC2)c1)C(=O)[O-] ZINC000739441640 602696628 /nfs/dbraw/zinc/69/66/28/602696628.db2.gz PNYPCDMYGOZLPR-UHFFFAOYSA-N -1 0 304.390 3.705 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736904079 602703507 /nfs/dbraw/zinc/70/35/07/602703507.db2.gz PEBUWGZJYXWIEP-AWEZNQCLSA-N -1 0 312.369 3.984 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000738759153 602705306 /nfs/dbraw/zinc/70/53/06/602705306.db2.gz 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602864063 /nfs/dbraw/zinc/86/40/63/602864063.db2.gz NDTRXXSAEKBCSQ-INIZCTEOSA-N -1 0 324.380 3.811 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740184817 602878879 /nfs/dbraw/zinc/87/88/79/602878879.db2.gz QZWHHMFQYPYEJG-GFCCVEGCSA-N -1 0 313.357 3.612 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1NC(=O)[O-] ZINC000830210491 602917259 /nfs/dbraw/zinc/91/72/59/602917259.db2.gz AFESXYIZFCHRIV-SJCJKPOMSA-N -1 0 324.380 3.748 20 0 DHADRM COc1ccc(NC(=O)NC2(C)CCCCC2)cc1NC(=O)[O-] ZINC000739917369 602940510 /nfs/dbraw/zinc/94/05/10/602940510.db2.gz DNQNKJPUEZOHIZ-UHFFFAOYSA-N -1 0 321.377 3.629 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824777697 602944835 /nfs/dbraw/zinc/94/48/35/602944835.db2.gz RLLCVYWWPYYKKW-GFCCVEGCSA-N -1 0 322.405 3.526 20 0 DHADRM CC(C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736339457 602952321 /nfs/dbraw/zinc/95/23/21/602952321.db2.gz QAHYSBMYXXSCKI-UHFFFAOYSA-N -1 0 304.371 3.503 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740155959 602953581 /nfs/dbraw/zinc/95/35/81/602953581.db2.gz BXFJLYNQJUWPDR-LLVKDONJSA-N -1 0 316.332 3.966 20 0 DHADRM CC[C@H]1CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739273584 602980530 /nfs/dbraw/zinc/98/05/30/602980530.db2.gz TZWIVVPRHCFIRV-NSHDSACASA-N -1 0 308.353 3.568 20 0 DHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1NC(=O)[O-] ZINC000830206210 602996486 /nfs/dbraw/zinc/99/64/86/602996486.db2.gz XUIAYAUVVIJOAP-ZBFHGGJFSA-N -1 0 316.401 3.784 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H](C)c2ccccc2)n1 ZINC000738815582 603000291 /nfs/dbraw/zinc/00/02/91/603000291.db2.gz HNTHXTHCJCPHIM-GXTWGEPZSA-N -1 0 317.389 3.771 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739353208 603034444 /nfs/dbraw/zinc/03/44/44/603034444.db2.gz HDEBQMDEEKFYHJ-UHFFFAOYSA-N -1 0 311.357 3.816 20 0 DHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739096079 603037306 /nfs/dbraw/zinc/03/73/06/603037306.db2.gz CMHNALAGLCQWGQ-IINYFYTJSA-N -1 0 323.368 3.958 20 0 DHADRM Cc1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c(C)s1 ZINC000829979392 603037862 /nfs/dbraw/zinc/03/78/62/603037862.db2.gz DBWLYDQJHIXESI-UHFFFAOYSA-N -1 0 305.355 3.698 20 0 DHADRM CCCCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CC1 ZINC000739326862 603039625 /nfs/dbraw/zinc/03/96/25/603039625.db2.gz NIFQYWFUCPSIOW-UHFFFAOYSA-N -1 0 309.341 3.712 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3ccccc3o2)cc1 ZINC000827914344 603039714 /nfs/dbraw/zinc/03/97/14/603039714.db2.gz OWGZRZLHSQNFCM-UHFFFAOYSA-N -1 0 311.293 3.766 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2coc3ccccc23)cc1 ZINC000827921276 603044431 /nfs/dbraw/zinc/04/44/31/603044431.db2.gz JVOMRCIDMPNGMV-UHFFFAOYSA-N -1 0 311.293 3.766 20 0 DHADRM CCN(Cc1nc(-c2cc(F)ccc2F)c(C)s1)C(=O)[O-] ZINC000739444601 603070529 /nfs/dbraw/zinc/07/05/29/603070529.db2.gz LCAIAVFYLPFHGG-UHFFFAOYSA-N -1 0 312.341 3.897 20 0 DHADRM CC(C)(C)/C=C/C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738681697 603099120 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C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000825443080 603181398 /nfs/dbraw/zinc/18/13/98/603181398.db2.gz XHQVNYGQYGCDJM-LBPRGKRZSA-N -1 0 324.380 3.756 20 0 DHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739094323 603184501 /nfs/dbraw/zinc/18/45/01/603184501.db2.gz VTPOBAXMVAQWRS-QWHCGFSZSA-N -1 0 304.390 3.561 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827576028 603190022 /nfs/dbraw/zinc/19/00/22/603190022.db2.gz ADPDBUXJPVZWJQ-LBPRGKRZSA-N -1 0 312.369 3.830 20 0 DHADRM Cc1cc(Oc2ccc(NC(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000830129499 603196436 /nfs/dbraw/zinc/19/64/36/603196436.db2.gz RSUNPFGLQWIDLW-UHFFFAOYSA-N -1 0 322.324 3.729 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739267435 603199453 /nfs/dbraw/zinc/19/94/53/603199453.db2.gz KLJIDBCUJITQNW-LLVKDONJSA-N -1 0 310.781 3.835 20 0 DHADRM Cc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740186521 603199873 /nfs/dbraw/zinc/19/98/73/603199873.db2.gz PAZUALLTGLMXQR-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000825454351 603206918 /nfs/dbraw/zinc/20/69/18/603206918.db2.gz QPKSPDRIDQGYMP-LLVKDONJSA-N -1 0 308.341 3.702 20 0 DHADRM Cc1ccccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830581798 603212405 /nfs/dbraw/zinc/21/24/05/603212405.db2.gz QUGYQSJPHIVCBS-XJKSGUPXSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1NC(=O)[O-] ZINC000830204884 603222846 /nfs/dbraw/zinc/22/28/46/603222846.db2.gz KCDZAHFZQJDPBZ-SCDSUCTJSA-N -1 0 304.390 3.639 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739090099 603228452 /nfs/dbraw/zinc/22/84/52/603228452.db2.gz GUCDKFMLQAMVSY-MNOVXSKESA-N -1 0 324.808 3.986 20 0 DHADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739079778 603262364 /nfs/dbraw/zinc/26/23/64/603262364.db2.gz LPZZTSDWKVDLEQ-NXEZZACHSA-N -1 0 310.781 3.548 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1NC(=O)[O-] ZINC000830182181 603296188 /nfs/dbraw/zinc/29/61/88/603296188.db2.gz TXOTYLBKRKVLAF-WFASDCNBSA-N -1 0 304.390 3.736 20 0 DHADRM CCCN(CCC)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739356753 603345646 /nfs/dbraw/zinc/34/56/46/603345646.db2.gz HLZGHGYRDRCAHU-UHFFFAOYSA-N -1 0 321.421 3.840 20 0 DHADRM COc1cc(NC(=O)/C=C(\C)C(C)(C)C)ccc1NC(=O)[O-] ZINC000829153782 603350237 /nfs/dbraw/zinc/35/02/37/603350237.db2.gz PBJCEBUORGZPAR-CSKARUKUSA-N -1 0 306.362 3.716 20 0 DHADRM CCC[C@H](CC)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739302917 603350328 /nfs/dbraw/zinc/35/03/28/603350328.db2.gz FNZCWNGVPZANTN-AWEZNQCLSA-N -1 0 321.421 3.887 20 0 DHADRM CN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCCC1 ZINC000739576236 603356264 /nfs/dbraw/zinc/35/62/64/603356264.db2.gz OUNSFEGIHDBLRS-UHFFFAOYSA-N -1 0 317.389 3.524 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000825426719 603367502 /nfs/dbraw/zinc/36/75/02/603367502.db2.gz ISCNRKNMQVLESW-SLEUVZQESA-N -1 0 319.405 3.715 20 0 DHADRM Cc1ccc(N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1C ZINC000830332818 603373756 /nfs/dbraw/zinc/37/37/56/603373756.db2.gz DEMSIJOJUDJRJD-UHFFFAOYSA-N -1 0 312.369 3.978 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826665870 603379302 /nfs/dbraw/zinc/37/93/02/603379302.db2.gz AOOQPIPWDBHGLS-SWLSCSKDSA-N -1 0 319.405 3.812 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736761708 603392306 /nfs/dbraw/zinc/39/23/06/603392306.db2.gz PJHGACSAVZWNEN-CZUORRHYSA-N -1 0 324.380 3.795 20 0 DHADRM Cc1ccc(-c2nc(-c3cccs3)no2)cc1NC(=O)[O-] ZINC000830155629 603407004 /nfs/dbraw/zinc/40/70/04/603407004.db2.gz QNFIEWUCCUCHDU-UHFFFAOYSA-N -1 0 301.327 3.863 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000832333095 603408362 /nfs/dbraw/zinc/40/83/62/603408362.db2.gz QILSKEDWSFMOOB-ZYHUDNBSSA-N -1 0 321.764 3.684 20 0 DHADRM CCc1ccc(-c2noc([C@H]3CCC[C@@H](NC(=O)[O-])C3)n2)cc1 ZINC000827569032 603420116 /nfs/dbraw/zinc/42/01/16/603420116.db2.gz HTTBHKINTKRYHY-UONOGXRCSA-N -1 0 315.373 3.593 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(-c3ccccc3Cl)no2)C1 ZINC000832334079 603421147 /nfs/dbraw/zinc/42/11/47/603421147.db2.gz VSBPOXWRAGPKEX-VHSXEESVSA-N -1 0 321.764 3.684 20 0 DHADRM CN(Cc1ccccc1NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000828399760 603423238 /nfs/dbraw/zinc/42/32/38/603423238.db2.gz GBRCYRXGCDGEPX-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM Cc1ccc(C(=O)Oc2cccc3[nH]ccc32)cc1NC(=O)[O-] ZINC000830245615 603486585 /nfs/dbraw/zinc/48/65/85/603486585.db2.gz OUITXSOMKFMFJY-UHFFFAOYSA-N -1 0 310.309 3.785 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1NC(=O)[O-] ZINC000830230629 603508968 /nfs/dbraw/zinc/50/89/68/603508968.db2.gz NZZKVIYGMKOERC-UHFFFAOYSA-N -1 0 320.732 3.696 20 0 DHADRM Cc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000830390086 603522434 /nfs/dbraw/zinc/52/24/34/603522434.db2.gz FTTUIHJWJCZLPQ-UHFFFAOYSA-N -1 0 319.386 3.511 20 0 DHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000825779029 603528554 /nfs/dbraw/zinc/52/85/54/603528554.db2.gz VYBPYBOXHJFDRR-CXAGYDPISA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H]1CCC[C@H](C)N1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739094292 603768262 /nfs/dbraw/zinc/76/82/62/603768262.db2.gz VMMGXDMPKRTCHQ-LZWOXQAQSA-N -1 0 318.417 3.565 20 0 DHADRM C[C@@H]1CCC[C@H](C)N1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739094290 603768401 /nfs/dbraw/zinc/76/84/01/603768401.db2.gz VMMGXDMPKRTCHQ-IJEWVQPXSA-N -1 0 318.417 3.565 20 0 DHADRM O=C(C=C1CCCCC1)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831291299 603944211 /nfs/dbraw/zinc/94/42/11/603944211.db2.gz DIAAAQHLOIIAQB-UHFFFAOYSA-N -1 0 300.358 3.556 20 0 DHADRM C[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccs1 ZINC000823723543 603947243 /nfs/dbraw/zinc/94/72/43/603947243.db2.gz LLJPPTRRVRPKES-JTQLQIEISA-N -1 0 316.382 3.531 20 0 DHADRM CCN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])[C@H](C)C(C)C ZINC000826980673 603991630 /nfs/dbraw/zinc/99/16/30/603991630.db2.gz ZDKCYLHKIYRKPO-GFCCVEGCSA-N -1 0 319.405 3.625 20 0 DHADRM CCCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1cccnc1 ZINC000826883969 604035382 /nfs/dbraw/zinc/03/53/82/604035382.db2.gz GGGVUXXHYAUEKP-UHFFFAOYSA-N -1 0 313.357 3.537 20 0 DHADRM Cc1cccc(OC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830522110 604214170 /nfs/dbraw/zinc/21/41/70/604214170.db2.gz OGULBBYSRUFWOQ-XJKSGUPXSA-N -1 0 313.353 3.545 20 0 DHADRM CC(C)(C)CCCC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823766067 604243505 /nfs/dbraw/zinc/24/35/05/604243505.db2.gz FSXUFPMGXIPNCQ-UHFFFAOYSA-N -1 0 324.465 3.584 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)c1ccc2ccccc2c1 ZINC000738162562 604273374 /nfs/dbraw/zinc/27/33/74/604273374.db2.gz FCSKYJALBDESLD-UHFFFAOYSA-N -1 0 322.364 3.760 20 0 DHADRM COc1ccc(NC(=O)C(F)=C2CCCC2)cc1NC(=O)[O-] ZINC000829440494 604278016 /nfs/dbraw/zinc/27/80/16/604278016.db2.gz CFKQPESKHSXWIE-UHFFFAOYSA-N -1 0 308.309 3.521 20 0 DHADRM C[C@H](CC(=O)Nc1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824703701 604283217 /nfs/dbraw/zinc/28/32/17/604283217.db2.gz PTTDIMVMNULAKK-NEPJUHHUSA-N -1 0 324.808 3.695 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)CC ZINC000828542229 604296786 /nfs/dbraw/zinc/29/67/86/604296786.db2.gz KJOZIDZQSKTAHN-XHTHFGBYSA-N -1 0 321.804 3.885 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000235751613 604300394 /nfs/dbraw/zinc/30/03/94/604300394.db2.gz KQSZTBIRGNXYFF-UHFFFAOYSA-N -1 0 309.793 3.556 20 0 DHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000828709961 604309718 /nfs/dbraw/zinc/30/97/18/604309718.db2.gz USLSOPPYUGDMJB-WDEREUQCSA-N -1 0 307.365 3.563 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1F ZINC000833310800 604333780 /nfs/dbraw/zinc/33/37/80/604333780.db2.gz UHMKRVHPSJZEIT-UHFFFAOYSA-N -1 0 313.328 3.581 20 0 DHADRM C/C(=C/C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC000825717559 604379236 /nfs/dbraw/zinc/37/92/36/604379236.db2.gz ZUQDMLJWLJWNRU-AHKFDXCISA-N -1 0 317.429 3.947 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])CC ZINC000828542509 604381920 /nfs/dbraw/zinc/38/19/20/604381920.db2.gz LHYPZWFFAVBQMH-RCWFGCPPSA-N -1 0 315.413 3.867 20 0 DHADRM Cc1ccccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832976702 604383429 /nfs/dbraw/zinc/38/34/29/604383429.db2.gz ZFSSBVOITRIPMT-INIZCTEOSA-N -1 0 311.381 3.577 20 0 DHADRM CCc1cc(C)c(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])o1 ZINC000830214089 604389949 /nfs/dbraw/zinc/38/99/49/604389949.db2.gz VWBBNBDZURKMGF-HNNXBMFYSA-N -1 0 315.369 3.660 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828201353 604392269 /nfs/dbraw/zinc/39/22/69/604392269.db2.gz RHRWHRCEWXQVPO-QGJNFCQMSA-N -1 0 315.413 3.701 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(-c3ccco3)s2)o1 ZINC000833314880 604409452 /nfs/dbraw/zinc/40/94/52/604409452.db2.gz AKIBJUXGVYPQFS-UHFFFAOYSA-N -1 0 318.306 3.656 20 0 DHADRM CC1(C)C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000828056803 604451497 /nfs/dbraw/zinc/45/14/97/604451497.db2.gz WWFMPXMPUABISZ-MRXNPFEDSA-N -1 0 324.380 3.929 20 0 DHADRM O=C([O-])c1coc(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000833339981 604454290 /nfs/dbraw/zinc/45/42/90/604454290.db2.gz PYUFXMVKTWNIBU-MRXNPFEDSA-N -1 0 321.323 3.983 20 0 DHADRM CCC1(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000826639496 604454289 /nfs/dbraw/zinc/45/42/89/604454289.db2.gz NIWRNNCVCNWOFO-CYBMUJFWSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)(C)SCCCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000833446480 604495049 /nfs/dbraw/zinc/49/50/49/604495049.db2.gz DJGYJBFRNDBTFF-UHFFFAOYSA-N -1 0 310.415 3.531 20 0 DHADRM COc1ccc(C)cc1[C@H](C)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000833731284 604501286 /nfs/dbraw/zinc/50/12/86/604501286.db2.gz YKJSEKRLINABGL-LBPRGKRZSA-N -1 0 300.358 3.578 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000833342359 604508159 /nfs/dbraw/zinc/50/81/59/604508159.db2.gz KBTXKIXJYBQPAA-GFCCVEGCSA-N -1 0 308.403 3.633 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829208066 604511833 /nfs/dbraw/zinc/51/18/33/604511833.db2.gz IBZMXGQUSWNEKJ-JQWIXIFHSA-N -1 0 310.419 3.879 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829208063 604511860 /nfs/dbraw/zinc/51/18/60/604511860.db2.gz IBZMXGQUSWNEKJ-CMPLNLGQSA-N -1 0 310.419 3.879 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828739952 604513103 /nfs/dbraw/zinc/51/31/03/604513103.db2.gz UAFVNYWDRJPNNP-ZYHUDNBSSA-N -1 0 310.419 3.879 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829216238 604517587 /nfs/dbraw/zinc/51/75/87/604517587.db2.gz KZZSJCOPTSWMJO-HIFRSBDPSA-N -1 0 320.433 3.669 20 0 DHADRM CCCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829541969 604518242 /nfs/dbraw/zinc/51/82/42/604518242.db2.gz YMPMRCQEXXHLNH-UHFFFAOYSA-N -1 0 320.370 3.879 20 0 DHADRM CC(C)[C@H](C)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826681561 604527025 /nfs/dbraw/zinc/52/70/25/604527025.db2.gz QCUMYLAMDJUBSO-DZGCQCFKSA-N -1 0 320.433 3.524 20 0 DHADRM CC[C@H](C)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828746382 604527659 /nfs/dbraw/zinc/52/76/59/604527659.db2.gz BOPUBVZVNXBQCP-ZFWWWQNUSA-N -1 0 320.433 3.526 20 0 DHADRM CCC[C@@](C)(NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)[O-] ZINC000761569628 604544152 /nfs/dbraw/zinc/54/41/52/604544152.db2.gz VHTUDFHKTFRGKQ-SIFUEBAJSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000832878221 604546854 /nfs/dbraw/zinc/54/68/54/604546854.db2.gz WKPNBWJUBYXBFG-LAUAKBEESA-N -1 0 300.310 3.604 20 0 DHADRM CC(C)c1ccsc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000679099963 604547470 /nfs/dbraw/zinc/54/74/70/604547470.db2.gz BMFMGZMACYVFBE-UHFFFAOYSA-N -1 0 317.410 3.542 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2cc3ccsc3[nH]2)oc1C(=O)[O-] ZINC000832873633 604552471 /nfs/dbraw/zinc/55/24/71/604552471.db2.gz FGJCLQPZOPYSEI-MRVPVSSYSA-N -1 0 319.338 3.747 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000277213281 604553356 /nfs/dbraw/zinc/55/33/56/604553356.db2.gz IIUPOJZQBFBVIT-ZHACJKMWSA-N -1 0 321.804 3.503 20 0 DHADRM CC(C)CSCCCNc1nc(Cl)c(C(=O)[O-])s1 ZINC000833491592 604561371 /nfs/dbraw/zinc/56/13/71/604561371.db2.gz QTBJRDIPJSWHGU-UHFFFAOYSA-N -1 0 308.856 3.686 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824434574 604564130 /nfs/dbraw/zinc/56/41/30/604564130.db2.gz KXPJQNVBHFXKSZ-NEPJUHHUSA-N -1 0 322.430 3.562 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2ccc3cc[nH]c3c2)oc1C(=O)[O-] ZINC000832874297 604565147 /nfs/dbraw/zinc/56/51/47/604565147.db2.gz ISJOOOCHVBVMQX-SNVBAGLBSA-N -1 0 313.309 3.686 20 0 DHADRM C/C(=C/C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC1 ZINC000833381958 604571655 /nfs/dbraw/zinc/57/16/55/604571655.db2.gz KJODXNOVVPZAAN-LUAWRHEFSA-N -1 0 305.399 3.548 20 0 DHADRM Cc1ccc2ccccc2c1COC(=O)CCCN(C)C(=O)[O-] ZINC000832959806 604584421 /nfs/dbraw/zinc/58/44/21/604584421.db2.gz KCSJABTWFMCNLL-UHFFFAOYSA-N -1 0 315.369 3.581 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2c(cccc2Cl)s1 ZINC000833211983 604585965 /nfs/dbraw/zinc/58/59/65/604585965.db2.gz ROAZRAMJWICMDK-SECBINFHSA-N -1 0 323.801 3.634 20 0 DHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@H]1C ZINC000390891738 604589302 /nfs/dbraw/zinc/58/93/02/604589302.db2.gz CDXMWRXUZWHYEC-STQMWFEESA-N -1 0 318.417 3.701 20 0 DHADRM CC1=CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000576166466 604616464 /nfs/dbraw/zinc/61/64/64/604616464.db2.gz PULUMYMCQSRUOX-UHFFFAOYSA-N -1 0 314.410 3.660 20 0 DHADRM Cc1ccc(C(=O)O[C@@H](C2CC2)C(F)(F)F)cc1NC(=O)[O-] ZINC000830237640 604662285 /nfs/dbraw/zinc/66/22/85/604662285.db2.gz LADOWTHAWDKTJD-NSHDSACASA-N -1 0 317.263 3.583 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000833210655 604668392 /nfs/dbraw/zinc/66/83/92/604668392.db2.gz NVSNPQDOAXTFSI-KRWDZBQOSA-N -1 0 324.380 3.510 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000833290261 604670330 /nfs/dbraw/zinc/67/03/30/604670330.db2.gz ZHGHZRMEUOERMR-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)oc1C ZINC000832868572 604695947 /nfs/dbraw/zinc/69/59/47/604695947.db2.gz PHMCQMCJJHQJTC-CYBMUJFWSA-N -1 0 308.717 3.533 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CCC2CCCC2)C1 ZINC000833184491 604714493 /nfs/dbraw/zinc/71/44/93/604714493.db2.gz GLJUZLOJWDRCPO-BRWVUGGUSA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)Sc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000827072781 604715084 /nfs/dbraw/zinc/71/50/84/604715084.db2.gz IGYDORDHIWPZIE-UHFFFAOYSA-N -1 0 321.442 3.657 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000829207590 604715269 /nfs/dbraw/zinc/71/52/69/604715269.db2.gz BEWXSIZPYCLFJA-RISCZKNCSA-N -1 0 320.433 3.625 20 0 DHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000833632304 604722975 /nfs/dbraw/zinc/72/29/75/604722975.db2.gz KNNZPVRTZWLCEP-WDEREUQCSA-N -1 0 303.333 3.625 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000761601058 604743939 /nfs/dbraw/zinc/74/39/39/604743939.db2.gz RZTIRCPQQJSSRD-PKNBQFBNSA-N -1 0 309.793 3.503 20 0 DHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000683340266 604744382 /nfs/dbraw/zinc/74/43/82/604744382.db2.gz GHKYHSUVSGHCFY-NEPJUHHUSA-N -1 0 321.392 3.551 20 0 DHADRM C[C@H](Nc1ccc(NC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000827773322 604767674 /nfs/dbraw/zinc/76/76/74/604767674.db2.gz IGQZHMUTEIRGOA-NSHDSACASA-N -1 0 324.340 4.000 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000578866299 604771335 /nfs/dbraw/zinc/77/13/35/604771335.db2.gz JJQUVLZFZBMPHS-QGPMSJSTSA-N -1 0 317.429 3.660 20 0 DHADRM CC(C)(C)c1cnc(CN2CC[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000322365028 604772736 /nfs/dbraw/zinc/77/27/36/604772736.db2.gz IWSYGNKBQJYTCX-ZDUSSCGKSA-N -1 0 314.385 3.551 20 0 DHADRM O=C([O-])c1occc1CNc1ccc(OC2CCCC2)cc1 ZINC000833785220 604776824 /nfs/dbraw/zinc/77/68/24/604776824.db2.gz KNLIAHURXZROBR-UHFFFAOYSA-N -1 0 301.342 3.911 20 0 DHADRM CCc1nc(CN(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000584786159 604782259 /nfs/dbraw/zinc/78/22/59/604782259.db2.gz DDKAPZCUSCVHLU-UHFFFAOYSA-N -1 0 318.442 3.573 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000403094239 604790186 /nfs/dbraw/zinc/79/01/86/604790186.db2.gz LYCSAHRCQQYHGV-UHFFFAOYSA-N -1 0 324.465 3.799 20 0 DHADRM C[C@H]1CCC[C@H](CSCc2noc(CCCC(=O)[O-])n2)C1 ZINC000833608151 604798576 /nfs/dbraw/zinc/79/85/76/604798576.db2.gz MPZZVWLHFJHLLT-RYUDHWBXSA-N -1 0 312.435 3.536 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832854573 604806619 /nfs/dbraw/zinc/80/66/19/604806619.db2.gz MATWIRIDZVRBCU-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCC(CC)n1ccc(CNc2ccc(CNC(=O)[O-])cc2)n1 ZINC000828870828 604815067 /nfs/dbraw/zinc/81/50/67/604815067.db2.gz WRVGCXSEZYCVEK-UHFFFAOYSA-N -1 0 316.405 3.624 20 0 DHADRM CC(C)CCCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000777377734 604815374 /nfs/dbraw/zinc/81/53/74/604815374.db2.gz AEXBIVXGZMAAEX-UHFFFAOYSA-N -1 0 317.429 3.876 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000828971567 604816541 /nfs/dbraw/zinc/81/65/41/604816541.db2.gz NPKPXAZCKWYVLX-OAHLLOKOSA-N -1 0 307.365 3.613 20 0 DHADRM Cc1ccc(NC(=O)c2cnc(C(C)C)s2)c(C(=O)[O-])c1 ZINC000431989760 604819857 /nfs/dbraw/zinc/81/98/57/604819857.db2.gz BYXXAXCCHWMKEV-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000761979591 604825293 /nfs/dbraw/zinc/82/52/93/604825293.db2.gz UOMMOWFTYGCJRI-LMRWQKIVSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1ccc([C@@H](CNc2ncnc3ccc(C)cc32)C(=O)[O-])cc1 ZINC000833749652 604828500 /nfs/dbraw/zinc/82/85/00/604828500.db2.gz VMXOWXLVUDVOPY-MRXNPFEDSA-N -1 0 321.380 3.527 20 0 DHADRM Cc1cc(F)ccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000388904409 604837451 /nfs/dbraw/zinc/83/74/51/604837451.db2.gz BBCBFBHXIGGBJF-UHFFFAOYSA-N -1 0 319.357 3.635 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000830050542 604848371 /nfs/dbraw/zinc/84/83/71/604848371.db2.gz RCTVWSLYZLTIQT-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CC1(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000669434724 604855831 /nfs/dbraw/zinc/85/58/31/604855831.db2.gz WIJUUPUCTINCPF-HNNXBMFYSA-N -1 0 315.413 3.952 20 0 DHADRM C/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833381778 604856899 /nfs/dbraw/zinc/85/68/99/604856899.db2.gz IZTPJFXJVKQWCJ-TUQDCPSNSA-N -1 0 321.376 3.695 20 0 DHADRM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000669436688 604858418 /nfs/dbraw/zinc/85/84/18/604858418.db2.gz APJBMTQQALNFFT-YOEHRIQHSA-N -1 0 323.392 3.785 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000669435704 604861657 /nfs/dbraw/zinc/86/16/57/604861657.db2.gz PNTFSPBBOJCJDN-IIAWOOMASA-N -1 0 315.413 3.808 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(F)cc1C)c1ccccc1 ZINC000828594793 604862671 /nfs/dbraw/zinc/86/26/71/604862671.db2.gz KAJDGUHUAQMAJM-MRXNPFEDSA-N -1 0 315.344 3.644 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000013223971 604865288 /nfs/dbraw/zinc/86/52/88/604865288.db2.gz SHSIRKKKYRWWRC-GOSISDBHSA-N -1 0 319.360 3.786 20 0 DHADRM C[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000431988117 604868913 /nfs/dbraw/zinc/86/89/13/604868913.db2.gz SJYHKEZGJBWRGL-ZDUSSCGKSA-N -1 0 321.392 3.565 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccnc3ccsc32)C1 ZINC000649405940 604872790 /nfs/dbraw/zinc/87/27/90/604872790.db2.gz VISRXIZEVOICOO-NSHDSACASA-N -1 0 304.415 3.624 20 0 DHADRM O=C([O-])c1cccc(CNc2ccc3c(cnn3C(F)F)c2)c1 ZINC000821552484 604873338 /nfs/dbraw/zinc/87/33/38/604873338.db2.gz OXPCHGVAPCLPIO-UHFFFAOYSA-N -1 0 317.295 3.742 20 0 DHADRM O=C([O-])c1ccc(C(=O)Oc2cccc3ccccc32)cc1F ZINC000833354584 604880420 /nfs/dbraw/zinc/88/04/20/604880420.db2.gz XWCDGBFNKCZVDV-UHFFFAOYSA-N -1 0 310.280 3.896 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000827853907 604880531 /nfs/dbraw/zinc/88/05/31/604880531.db2.gz PBXIMKPIAMJYNF-MRVPVSSYSA-N -1 0 324.254 3.720 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000649364760 604880690 /nfs/dbraw/zinc/88/06/90/604880690.db2.gz NMAADESLPUNUOL-ZIAGYGMSSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)CC(C)(C)C ZINC000318037280 604882273 /nfs/dbraw/zinc/88/22/73/604882273.db2.gz GBDWRIGXGVUALS-KGLIPLIRSA-N -1 0 311.466 3.798 20 0 DHADRM CC[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000322213121 604884039 /nfs/dbraw/zinc/88/40/39/604884039.db2.gz WFAFXCLBTXVZBL-JKSUJKDBSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC000833132270 604919412 /nfs/dbraw/zinc/91/94/12/604919412.db2.gz ZPKUJLXVKHCBQM-MBNYWOFBSA-N -1 0 319.376 3.613 20 0 DHADRM C[C@@H]1CC[C@H](CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000828220791 604936134 /nfs/dbraw/zinc/93/61/34/604936134.db2.gz DMLLKNITHKEWTD-WBVHZDCISA-N -1 0 317.429 3.706 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829208935 604950513 /nfs/dbraw/zinc/95/05/13/604950513.db2.gz QAUNFHUHGLCFBI-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000088709774 604986402 /nfs/dbraw/zinc/98/64/02/604986402.db2.gz KCJBBYIURCKTJN-VHSXEESVSA-N -1 0 310.781 3.691 20 0 DHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000088709771 604986494 /nfs/dbraw/zinc/98/64/94/604986494.db2.gz KCJBBYIURCKTJN-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833616585 605010180 /nfs/dbraw/zinc/01/01/80/605010180.db2.gz DPIDMOXHPZFINQ-SJKOYZFVSA-N -1 0 324.380 3.830 20 0 DHADRM CC[C@@H](OC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000833647255 605017510 /nfs/dbraw/zinc/01/75/10/605017510.db2.gz ZLCKKPVXQBXVEF-LLVKDONJSA-N -1 0 312.774 3.504 20 0 DHADRM CC(C)CCc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833484095 605029028 /nfs/dbraw/zinc/02/90/28/605029028.db2.gz LOMWAUWKMBMEGO-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1c(F)cccc1F ZINC000833410623 605036323 /nfs/dbraw/zinc/03/63/23/605036323.db2.gz ZGPVSHQRNGGKRC-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM C[C@H](c1ncc(C(C)(C)C)o1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000564661650 605047172 /nfs/dbraw/zinc/04/71/72/605047172.db2.gz RXZIRSAWYNNGPF-GFCCVEGCSA-N -1 0 316.401 3.863 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(Cl)cc1 ZINC000833482054 605054030 /nfs/dbraw/zinc/05/40/30/605054030.db2.gz AIXHBTKRXGREHF-ZWNOBZJWSA-N -1 0 313.781 3.627 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833560137 605057934 /nfs/dbraw/zinc/05/79/34/605057934.db2.gz AZJHSSOETWQLQS-RISCZKNCSA-N -1 0 309.431 3.597 20 0 DHADRM C/C(=C\COC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000833383523 605059594 /nfs/dbraw/zinc/05/95/94/605059594.db2.gz NCDUREQEDKUZQT-RUDMXATFSA-N -1 0 324.785 3.671 20 0 DHADRM C[C@H]1CC[C@]2(CCN(c3nc(Cl)c(C(=O)[O-])s3)C2)C1 ZINC000833611648 605079332 /nfs/dbraw/zinc/07/93/32/605079332.db2.gz OKSBOXUAPTVGDO-SDBXPKJASA-N -1 0 300.811 3.511 20 0 DHADRM CC(C)CC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000833480759 605085620 /nfs/dbraw/zinc/08/56/20/605085620.db2.gz NJNIZZYTYUMXLB-NRXISQOPSA-N -1 0 311.466 3.845 20 0 DHADRM CC1(C)CCC(=CC(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000761828826 605089400 /nfs/dbraw/zinc/08/94/00/605089400.db2.gz QTIGMPNAKKHFMT-UHFFFAOYSA-N -1 0 301.386 3.779 20 0 DHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(NC(=O)[O-])c3)C2)C1 ZINC000833608717 605091373 /nfs/dbraw/zinc/09/13/73/605091373.db2.gz CHLXWJRUTZLJOI-SJKOYZFVSA-N -1 0 317.389 3.821 20 0 DHADRM CCN(c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1)C(C)C ZINC000321151861 605098470 /nfs/dbraw/zinc/09/84/70/605098470.db2.gz VJMZVXWCRBYCRT-UHFFFAOYSA-N -1 0 320.433 3.751 20 0 DHADRM CC(C)(C)[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000194392822 605101868 /nfs/dbraw/zinc/10/18/68/605101868.db2.gz 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ZINC000833651213 605139406 /nfs/dbraw/zinc/13/94/06/605139406.db2.gz HGPHKQGWXUVSOY-UHFFFAOYSA-N -1 0 308.403 3.730 20 0 DHADRM C[C@H](c1ccccc1)N(C(=O)C1CCC(C(=O)[O-])CC1)C1CC1 ZINC000833549977 605146855 /nfs/dbraw/zinc/14/68/55/605146855.db2.gz TYAXCGCPUIBZCT-IUDNXUCKSA-N -1 0 315.413 3.630 20 0 DHADRM CC1(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCCC1 ZINC000833565077 605147544 /nfs/dbraw/zinc/14/75/44/605147544.db2.gz VRPUQMDODNBWDL-AWEZNQCLSA-N -1 0 315.413 3.952 20 0 DHADRM CC(C)(C)C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000833430130 605148171 /nfs/dbraw/zinc/14/81/71/605148171.db2.gz UBCITFPADQJJFS-NSHDSACASA-N -1 0 324.377 3.857 20 0 DHADRM C[C@H]1CSC(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)=N1 ZINC000833631437 605149820 /nfs/dbraw/zinc/14/98/20/605149820.db2.gz KTKRFVAMHZGNPY-OIBJUYFYSA-N -1 0 301.820 3.690 20 0 DHADRM CC1(C)C[C@@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833557849 605150400 /nfs/dbraw/zinc/15/04/00/605150400.db2.gz MSTRAEYRZZOQEK-MNOVXSKESA-N -1 0 316.275 3.578 20 0 DHADRM CC(C)(CNc1cncc(C(=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000833459675 605190875 /nfs/dbraw/zinc/19/08/75/605190875.db2.gz JVEKWQFPHQZCPD-UHFFFAOYSA-N -1 0 319.792 3.509 20 0 DHADRM CC(C)[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC000833472211 605196189 /nfs/dbraw/zinc/19/61/89/605196189.db2.gz WNNQDUYUFRRGHU-CQSZACIVSA-N -1 0 323.755 3.777 20 0 DHADRM CCc1ccccc1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000827599227 605197200 /nfs/dbraw/zinc/19/72/00/605197200.db2.gz FZGHNRYQAYYXJH-UHFFFAOYSA-N -1 0 314.341 3.600 20 0 DHADRM CCc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827600327 605197820 /nfs/dbraw/zinc/19/78/20/605197820.db2.gz NKZVLIVIKGMHQI-UHFFFAOYSA-N -1 0 310.353 3.542 20 0 DHADRM CCO[C@H]1C[C@@H](Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000833662237 605208085 /nfs/dbraw/zinc/20/80/85/605208085.db2.gz ZBRMAKNBSGPNQK-CABCVRRESA-N -1 0 304.390 3.926 20 0 DHADRM CC(C)(C)SCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000833447810 605210786 /nfs/dbraw/zinc/21/07/86/605210786.db2.gz XLJMILSANACSBV-ZDUSSCGKSA-N -1 0 321.442 3.513 20 0 DHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000833413414 605214113 /nfs/dbraw/zinc/21/41/13/605214113.db2.gz OKBUAYCVTVKNHG-MRXNPFEDSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)n1cc([C@@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1 ZINC000833526367 605219114 /nfs/dbraw/zinc/21/91/14/605219114.db2.gz UZJFSHZVDCRQHL-CYBMUJFWSA-N -1 0 316.405 3.747 20 0 DHADRM CCO[C@@H]1C[C@H](Nc2ccc(CNC(=O)[O-])cc2)C1(CC)CC ZINC000833659691 605219749 /nfs/dbraw/zinc/21/97/49/605219749.db2.gz FJMMRSMOXLYYRV-JKSUJKDBSA-N -1 0 320.433 3.850 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000683325681 605239252 /nfs/dbraw/zinc/23/92/52/605239252.db2.gz RJYPPCNPAISSRM-DOTOQJQBSA-N -1 0 317.429 3.501 20 0 DHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833560688 605239830 /nfs/dbraw/zinc/23/98/30/605239830.db2.gz UIMAXLGOGRHWIK-GOSISDBHSA-N -1 0 323.392 3.537 20 0 DHADRM Cc1nc2ccc(NCc3cccc4c3N(C(=O)[O-])CC4)cc2o1 ZINC000830793298 605243248 /nfs/dbraw/zinc/24/32/48/605243248.db2.gz PNQYECBZWZYJHL-UHFFFAOYSA-N -1 0 323.352 3.789 20 0 DHADRM COc1cc(NCc2cnc3ccccc3c2)ccc1NC(=O)[O-] ZINC000829196656 605244006 /nfs/dbraw/zinc/24/40/06/605244006.db2.gz AFTLDVAUASJVGE-UHFFFAOYSA-N -1 0 323.352 3.945 20 0 DHADRM COc1ccc(NCc2cnc3ccccc3c2)cc1NC(=O)[O-] ZINC000829479303 605244362 /nfs/dbraw/zinc/24/43/62/605244362.db2.gz HVSOHGPFWAVERM-UHFFFAOYSA-N -1 0 323.352 3.945 20 0 DHADRM O=C([O-])N1CCCc2cc(NCc3ccc(Cl)o3)ccc21 ZINC000832018155 605254261 /nfs/dbraw/zinc/25/42/61/605254261.db2.gz BRWYTGCGVSEMBM-UHFFFAOYSA-N -1 0 306.749 3.976 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061827165 605254712 /nfs/dbraw/zinc/25/47/12/605254712.db2.gz NGSZKMXGIMWYGY-LLVKDONJSA-N -1 0 311.809 3.750 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000683302348 605258448 /nfs/dbraw/zinc/25/84/48/605258448.db2.gz QFESNGJMHRDOLR-MRXNPFEDSA-N -1 0 317.429 3.501 20 0 DHADRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000833524142 605261157 /nfs/dbraw/zinc/26/11/57/605261157.db2.gz BBESLMCTVGJUFP-QMMMGPOBSA-N -1 0 322.340 3.769 20 0 DHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833474289 605265395 /nfs/dbraw/zinc/26/53/95/605265395.db2.gz VXFWRKXGWQYLSO-GOSISDBHSA-N -1 0 317.429 3.659 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833479886 605280578 /nfs/dbraw/zinc/28/05/78/605280578.db2.gz CJKXGZCMCTYKNM-SNVBAGLBSA-N -1 0 311.357 3.862 20 0 DHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833613037 605281007 /nfs/dbraw/zinc/28/10/07/605281007.db2.gz WRPOGRSHSVLHBG-MNOVXSKESA-N -1 0 323.368 3.958 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000833603115 605281127 /nfs/dbraw/zinc/28/11/27/605281127.db2.gz JQDINDWTXOBEBQ-GIPNMCIBSA-N -1 0 323.368 3.862 20 0 DHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833608530 605284042 /nfs/dbraw/zinc/28/40/42/605284042.db2.gz BFBOCRBZDIEIOV-NXEZZACHSA-N -1 0 323.368 3.862 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833646316 605284454 /nfs/dbraw/zinc/28/44/54/605284454.db2.gz OVWNISRCRXNTLH-INIZCTEOSA-N -1 0 323.368 3.960 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000833604366 605303082 /nfs/dbraw/zinc/30/30/82/605303082.db2.gz ZCRJCGWVSKTLEN-JHABSUSBSA-N -1 0 323.392 3.828 20 0 DHADRM C[C@H](C(=O)OCc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000833409605 605303463 /nfs/dbraw/zinc/30/34/63/605303463.db2.gz NJTJJBQBIUURDC-JTQLQIEISA-N -1 0 305.355 3.685 20 0 DHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000762207384 605303723 /nfs/dbraw/zinc/30/37/23/605303723.db2.gz RCUNPAYFMAQEKZ-XIKOKIGWSA-N -1 0 311.381 3.518 20 0 DHADRM Cc1cc(F)c(C(=O)OCc2ccc(NC(=O)[O-])cc2)cc1F ZINC000833744415 605305734 /nfs/dbraw/zinc/30/57/34/605305734.db2.gz GJUDQDLAOHCBFP-UHFFFAOYSA-N -1 0 321.279 3.720 20 0 DHADRM 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CCOc1cccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001592863381 951378222 /nfs/dbraw/zinc/37/82/22/951378222.db2.gz ZEFVFDVMPAIBMR-KRWDZBQOSA-N -1 0 311.381 3.664 20 0 DHADRM O=C([O-])CCc1cccc(NCc2cc3ccccc3[nH]c2=O)c1 ZINC001595066374 951550667 /nfs/dbraw/zinc/55/06/67/951550667.db2.gz IXUXNTIEPCQQMY-UHFFFAOYSA-N -1 0 322.364 3.570 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCCC[C@H]1C1CCC1 ZINC001595135765 952051588 /nfs/dbraw/zinc/05/15/88/952051588.db2.gz DUBKWJPIJLOCHC-INIZCTEOSA-N -1 0 316.401 3.500 20 0 DHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CC2CCC1CC2 ZINC000382097704 971799868 /nfs/dbraw/zinc/79/98/68/971799868.db2.gz JRCIWPAIUWOYLP-SLTXQBBLSA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])Cn1cc(NCC2CCC3(CCCCC3)CC2)cn1 ZINC001595148770 952130546 /nfs/dbraw/zinc/13/05/46/952130546.db2.gz YTZMESZXYIXUBG-UHFFFAOYSA-N -1 0 305.422 3.520 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)C2CC3(CCC3)C2)c1Cl ZINC001595206353 952328547 /nfs/dbraw/zinc/32/85/47/952328547.db2.gz HMHNGFYBJOHXOX-UHFFFAOYSA-N 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CCCC[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)C ZINC000621536372 953792234 /nfs/dbraw/zinc/79/22/34/953792234.db2.gz IMIKMJALSGISEU-RDJZCZTQSA-N -1 0 317.429 3.659 20 0 DHADRM CCn1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1C ZINC001593666328 953853050 /nfs/dbraw/zinc/85/30/50/953853050.db2.gz QHGGXWZCWQGJSE-UHFFFAOYSA-N -1 0 324.739 3.559 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C\C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1(C)C ZINC001589338104 954011466 /nfs/dbraw/zinc/01/14/66/954011466.db2.gz PJHNLQNJJOBPKN-QUTAKVJXSA-N -1 0 321.461 3.574 20 0 DHADRM C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000652065182 954035998 /nfs/dbraw/zinc/03/59/98/954035998.db2.gz OXZHVMMGMQTBNE-LBPRGKRZSA-N -1 0 323.820 3.547 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000079943607 1013119362 /nfs/dbraw/zinc/11/93/62/1013119362.db2.gz YLERTMNJVKGMDN-GFCCVEGCSA-N -1 0 317.389 3.987 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331464 954161628 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957861786 /nfs/dbraw/zinc/86/17/86/957861786.db2.gz MQUQLAFUBKNGRP-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1C ZINC001594307687 957983120 /nfs/dbraw/zinc/98/31/20/957983120.db2.gz UJGZXJPIQWWNTA-MRXNPFEDSA-N -1 0 307.777 3.706 20 0 DHADRM COc1cc(C)c([C@@H](C)OC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C ZINC001594054086 958009433 /nfs/dbraw/zinc/00/94/33/958009433.db2.gz FTKLCIFNMLYLBD-DOMZBBRYSA-N -1 0 322.401 3.663 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)C2CCCCCCC2)c2ccccc21 ZINC000390960303 972310386 /nfs/dbraw/zinc/31/03/86/972310386.db2.gz MWBSWRDIXCPVGP-INIZCTEOSA-N -1 0 315.413 3.952 20 0 DHADRM O=C([O-])c1ccc(CNc2ccc(Br)c(F)c2)cc1 ZINC000088082474 958043710 /nfs/dbraw/zinc/04/37/10/958043710.db2.gz YZQKZDMOGYVJKV-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM Cc1cc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)ccc1C(=O)[O-] ZINC001594318352 958097209 /nfs/dbraw/zinc/09/72/09/958097209.db2.gz VUGQSVSIBDKFQB-CYBMUJFWSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1cc(NC(=O)c2cc3ccncc3s2)ccc1C(=O)[O-] ZINC001594325561 958167441 /nfs/dbraw/zinc/16/74/41/958167441.db2.gz NFNXRMOECZDWEE-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM COc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])c(Cl)c1 ZINC001594078474 958240462 /nfs/dbraw/zinc/24/04/62/958240462.db2.gz ANPJYTFPMGOVFY-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001594332739 958243710 /nfs/dbraw/zinc/24/37/10/958243710.db2.gz GRNZMLLDZSRZAH-AWEZNQCLSA-N -1 0 319.426 3.666 20 0 DHADRM Cc1ccc(-n2cccn2)cc1NCc1ccc(C(=O)[O-])s1 ZINC001594341394 958291160 /nfs/dbraw/zinc/29/11/60/958291160.db2.gz JBIPHBCLQQIQQR-UHFFFAOYSA-N -1 0 313.382 3.553 20 0 DHADRM Cc1ccc(CCCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355844 958415215 /nfs/dbraw/zinc/41/52/15/958415215.db2.gz UDZBHKMNRXVICK-MRXNPFEDSA-N -1 0 319.445 3.713 20 0 DHADRM Cc1ccc(N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC001594367456 958500388 /nfs/dbraw/zinc/50/03/88/958500388.db2.gz RWCYFWFRNBIKQO-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1OCCC(C)C ZINC001594368714 958517467 /nfs/dbraw/zinc/51/74/67/958517467.db2.gz PJOQEWBTYFJAFE-INIZCTEOSA-N -1 0 321.417 3.715 20 0 DHADRM C/C(=C\C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1C ZINC001588479718 958579084 /nfs/dbraw/zinc/57/90/84/958579084.db2.gz BHLOKQFEJIXFAO-FYWRMAATSA-N -1 0 315.413 3.502 20 0 DHADRM COc1ccc2cc([C@H](C)OC(=O)CCCC(=O)[O-])ccc2c1 ZINC001594118440 958579898 /nfs/dbraw/zinc/57/98/98/958579898.db2.gz OCCGTKRJSXHBNG-LBPRGKRZSA-N -1 0 316.353 3.708 20 0 DHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001594381170 958623101 /nfs/dbraw/zinc/62/31/01/958623101.db2.gz AHKKGCOQYSCCBH-MRXNPFEDSA-N -1 0 313.397 3.686 20 0 DHADRM Cc1ccc2ncc(COC(=O)c3ccc(C(=O)[O-])cc3)cc2c1 ZINC001594385593 958660561 /nfs/dbraw/zinc/66/05/61/958660561.db2.gz ZLVZNTFEBBVGOK-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001573389756 958688423 /nfs/dbraw/zinc/68/84/23/958688423.db2.gz FXBBYRWGNFLTIU-SNVBAGLBSA-N -1 0 321.270 3.530 20 0 DHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(=O)[O-])c1 ZINC001594390258 958705872 /nfs/dbraw/zinc/70/58/72/958705872.db2.gz IDCRDFHYYHGPDG-DZGCQCFKSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC001594394553 958758426 /nfs/dbraw/zinc/75/84/26/958758426.db2.gz VATJPAHMKPOYGJ-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC001594394923 958760128 /nfs/dbraw/zinc/76/01/28/958760128.db2.gz WPQWUJITCPUUCQ-ARFHVFGLSA-N -1 0 317.429 3.699 20 0 DHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001594403904 958879996 /nfs/dbraw/zinc/87/99/96/958879996.db2.gz FPYVJRWLTGJKJG-INIZCTEOSA-N -1 0 319.445 3.727 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)o1 ZINC001573462636 958920510 /nfs/dbraw/zinc/92/05/10/958920510.db2.gz IKYMIZMVTLSSAQ-UHFFFAOYSA-N -1 0 321.417 3.619 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCCC(=O)[O-] ZINC001573462747 958922761 /nfs/dbraw/zinc/92/27/61/958922761.db2.gz MEVGGNCTEWDJNO-UHFFFAOYSA-N -1 0 303.402 3.518 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594411165 958949970 /nfs/dbraw/zinc/94/99/70/958949970.db2.gz KPOQWNGLYIOMAY-IIAWOOMASA-N -1 0 317.429 3.591 20 0 DHADRM Cc1cccc2[nH]c(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)cc21 ZINC001594411190 958950081 /nfs/dbraw/zinc/95/00/81/958950081.db2.gz LXNKIHDZVWNIBF-GOSISDBHSA-N -1 0 320.392 3.660 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594413780 958976268 /nfs/dbraw/zinc/97/62/68/958976268.db2.gz JJLSZMSWVWUVON-CABCVRRESA-N -1 0 323.392 3.645 20 0 DHADRM CC(C)C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001573501636 959067607 /nfs/dbraw/zinc/06/76/07/959067607.db2.gz HTWCGRZKCTWWEC-HNNXBMFYSA-N -1 0 312.369 3.548 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573509419 959080585 /nfs/dbraw/zinc/08/05/85/959080585.db2.gz HNYMPBQIVFXEMZ-CABCVRRESA-N -1 0 317.429 3.739 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594425502 959117379 /nfs/dbraw/zinc/11/73/79/959117379.db2.gz KQYWVKFQOMGLLQ-MNOVXSKESA-N -1 0 319.357 3.636 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 ZINC001588564212 959120116 /nfs/dbraw/zinc/12/01/16/959120116.db2.gz DCPXEFWALLLROZ-HOCLYGCPSA-N -1 0 315.413 3.631 20 0 DHADRM CSCc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594188303 959142299 /nfs/dbraw/zinc/14/22/99/959142299.db2.gz YOISVYLUNRQNLG-AWEZNQCLSA-N -1 0 323.458 3.559 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)C(C2CCC2)C2CCC2)c1 ZINC000392072110 972406267 /nfs/dbraw/zinc/40/62/67/972406267.db2.gz ZABJIMUCYKQXRY-UHFFFAOYSA-N -1 0 315.413 3.859 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001594193920 959182847 /nfs/dbraw/zinc/18/28/47/959182847.db2.gz PUDMZRSIQOFJJB-DTWKUNHWSA-N -1 0 313.806 3.501 20 0 DHADRM CC(C)c1nc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc(C(C)(C)C)n1 ZINC001573565316 959285186 /nfs/dbraw/zinc/28/51/86/959285186.db2.gz VARJZCXZAOEJDN-NEPJUHHUSA-N -1 0 305.422 3.563 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N([C@H](C)C(=O)[O-])C3CC3)c2c1 ZINC001573566250 959288152 /nfs/dbraw/zinc/28/81/52/959288152.db2.gz GKBYMMKWOSHLDE-LLVKDONJSA-N -1 0 315.369 3.634 20 0 DHADRM CC(C)c1ccc([C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC001573566608 959290352 /nfs/dbraw/zinc/29/03/52/959290352.db2.gz KYMPGLOQANCOBK-BBWFWOEESA-N -1 0 317.429 3.734 20 0 DHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573580612 959351953 /nfs/dbraw/zinc/35/19/53/959351953.db2.gz PXOJNXGSXOUIOI-LBPRGKRZSA-N -1 0 315.344 3.731 20 0 DHADRM Cc1nc(C(C)C)ccc1C(=O)Nc1sccc1C(=O)[O-] ZINC001594449717 959356125 /nfs/dbraw/zinc/35/61/25/959356125.db2.gz ISRQVSKOTMPSFO-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM Cc1nc(C(C)C)oc1COC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594449945 959359243 /nfs/dbraw/zinc/35/92/43/959359243.db2.gz SYAWVGYSCLOCCY-UHFFFAOYSA-N -1 0 323.389 3.575 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000183769081 959446580 /nfs/dbraw/zinc/44/65/80/959446580.db2.gz PPZQJQVQRFNXSI-UHFFFAOYSA-N -1 0 315.325 3.552 20 0 DHADRM C[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1c(F)cccc1F ZINC001594242168 959540274 /nfs/dbraw/zinc/54/02/74/959540274.db2.gz AIIHNUDFGNIPRR-ORZBULNSSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC001594243396 959547828 /nfs/dbraw/zinc/54/78/28/959547828.db2.gz VIKQGIMEIGGEPG-VIFPVBQESA-N -1 0 316.275 3.565 20 0 DHADRM C[C@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC001594247174 959585265 /nfs/dbraw/zinc/58/52/65/959585265.db2.gz LOJVTOCSOQVIKF-APWZRJJASA-N -1 0 310.349 3.622 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)Cc3ccccc3)ccc2s1 ZINC000192537704 959590535 /nfs/dbraw/zinc/59/05/35/959590535.db2.gz DQBMTUYAYITFAW-UHFFFAOYSA-N -1 0 311.362 3.781 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC001588631500 959618119 /nfs/dbraw/zinc/61/81/19/959618119.db2.gz LPIYHEZNNZZBPE-GJZGRUSLSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1c2cc(F)ccc2sc1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001594253483 959634150 /nfs/dbraw/zinc/63/41/50/959634150.db2.gz CGIIDKTVCLFUFY-ZETCQYMHSA-N -1 0 306.318 3.587 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001588636006 959660768 /nfs/dbraw/zinc/66/07/68/959660768.db2.gz RSCCSNRDAFCSLD-XHSDSOJGSA-N -1 0 317.429 3.576 20 0 DHADRM CC1(C)CC(C(=O)Nc2ccnc(C(=O)[O-])c2)CC(C)(C)C1 ZINC001573663985 959679728 /nfs/dbraw/zinc/67/97/28/959679728.db2.gz CWWINPXZYDXPJT-UHFFFAOYSA-N -1 0 304.390 3.571 20 0 DHADRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)onc1C1CCCCC1 ZINC001594259678 959685704 /nfs/dbraw/zinc/68/57/04/959685704.db2.gz UBQIMSWEYIERKZ-LBPRGKRZSA-N -1 0 322.405 3.716 20 0 DHADRM Cc1c(Cl)ccc2c1N(C(=O)CCCCC(=O)[O-])CCC2 ZINC001594262285 959704442 /nfs/dbraw/zinc/70/44/42/959704442.db2.gz AXHDQDHSZULWPC-UHFFFAOYSA-N -1 0 309.793 3.573 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)[O-] ZINC001588645129 959728280 /nfs/dbraw/zinc/72/82/80/959728280.db2.gz HTXBJMUHSGTRCX-LLVKDONJSA-N -1 0 319.392 3.598 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000217301210 959771703 /nfs/dbraw/zinc/77/17/03/959771703.db2.gz IZZCJUWJZUWAGA-UHFFFAOYSA-N -1 0 306.406 3.751 20 0 DHADRM C[C@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296453 960072484 /nfs/dbraw/zinc/07/24/84/960072484.db2.gz PIVGWMHKDHTAEA-GXFFZTMASA-N -1 0 322.455 3.557 20 0 DHADRM C[C@H](OC(=O)CCCC(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001603271911 972481814 /nfs/dbraw/zinc/48/18/14/972481814.db2.gz JEMYASKFMURGGU-QMMMGPOBSA-N -1 0 322.254 3.704 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccccc2C(F)F)cc1 ZINC001605800295 972511224 /nfs/dbraw/zinc/51/12/24/972511224.db2.gz JLIVTXXDCIHMIM-UHFFFAOYSA-N -1 0 320.295 3.644 20 0 DHADRM CC[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCC(C)CC1 ZINC001573758183 960581658 /nfs/dbraw/zinc/58/16/58/960581658.db2.gz GOSSCBQECCPMPY-QDIHITRGSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])CCc1ccc(Nc2nc(C(F)(F)F)cs2)cc1 ZINC001213620904 960605083 /nfs/dbraw/zinc/60/50/83/960605083.db2.gz FHQLGJBLSCSGOE-UHFFFAOYSA-N -1 0 316.304 3.923 20 0 DHADRM CC/C(=C/C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(C)cc1 ZINC001573760102 960606357 /nfs/dbraw/zinc/60/63/57/960606357.db2.gz VSHTXADDMGPRTE-RAXLEYEMSA-N -1 0 310.353 3.520 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573770615 960664952 /nfs/dbraw/zinc/66/49/52/960664952.db2.gz SRKWPNUGUDDROZ-CZUORRHYSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)C1(C)C ZINC001574289236 960673660 /nfs/dbraw/zinc/67/36/60/960673660.db2.gz GGEAVLYJVQGJBU-IXWQIDHGSA-N -1 0 319.401 3.570 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000236636823 960721941 /nfs/dbraw/zinc/72/19/41/960721941.db2.gz SZHXTVUVKFVWRV-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CC(C)Oc1ccc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000236656419 960725536 /nfs/dbraw/zinc/72/55/36/960725536.db2.gz OQISSNVCIOTVTG-ZDUSSCGKSA-N -1 0 321.417 3.542 20 0 DHADRM CC[C@H](CNC(=O)C1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC001573794946 960767838 /nfs/dbraw/zinc/76/78/38/960767838.db2.gz ICEHZKUWCRLECW-OAHLLOKOSA-N -1 0 317.429 3.506 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000236856307 960777755 /nfs/dbraw/zinc/77/77/55/960777755.db2.gz QBSRMBYJBKXFLI-STQMWFEESA-N -1 0 311.447 3.987 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC001574315006 960778638 /nfs/dbraw/zinc/77/86/38/960778638.db2.gz GOQLQQAOSNQPQY-UHFFFAOYSA-N -1 0 317.772 3.619 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000236861916 960779961 /nfs/dbraw/zinc/77/99/61/960779961.db2.gz FCIRMDGODIRXDQ-YMTOWFKASA-N -1 0 317.385 3.587 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236915543 960797477 /nfs/dbraw/zinc/79/74/77/960797477.db2.gz WLZKZXHCWFLZJZ-CQSZACIVSA-N -1 0 317.410 3.646 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573809967 960879578 /nfs/dbraw/zinc/87/95/78/960879578.db2.gz ZURSCTVYEPWCNW-CVEARBPZSA-N -1 0 319.445 3.651 20 0 DHADRM CSc1ccc(NC(=O)c2cc[nH]c2C(C)C)cc1C(=O)[O-] ZINC001263633372 960894446 /nfs/dbraw/zinc/89/44/46/960894446.db2.gz QDURFBLEEIGEDD-UHFFFAOYSA-N -1 0 318.398 3.811 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001574332654 960895069 /nfs/dbraw/zinc/89/50/69/960895069.db2.gz DBDKIWRRCUIUFV-GFCCVEGCSA-N -1 0 316.328 3.679 20 0 DHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc(C)c1Cl ZINC001574333928 960901867 /nfs/dbraw/zinc/90/18/67/960901867.db2.gz SGKWZIJGYXMJGT-INIZCTEOSA-N -1 0 307.777 3.706 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC000237384613 960921887 /nfs/dbraw/zinc/92/18/87/960921887.db2.gz OXEFMLSHOIRREO-SNVBAGLBSA-N -1 0 319.357 3.643 20 0 DHADRM Cc1cc(NC(=O)c2ccc(F)c3cccnc23)ccc1C(=O)[O-] ZINC001574341559 960942159 /nfs/dbraw/zinc/94/21/59/960942159.db2.gz XXSDZHFYBQQKFS-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc2ccccc21 ZINC000237569446 960965433 /nfs/dbraw/zinc/96/54/33/960965433.db2.gz YFSXHQYFQYJSPO-ZDUSSCGKSA-N -1 0 313.397 3.908 20 0 DHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000237616251 960973912 /nfs/dbraw/zinc/97/39/12/960973912.db2.gz LHCYAJHDOHKEJB-LJQANCHMSA-N -1 0 309.365 3.618 20 0 DHADRM CC[C@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001573829570 961000778 /nfs/dbraw/zinc/00/07/78/961000778.db2.gz BJFBPSIPWWHAQG-SCZZXKLOSA-N -1 0 313.394 3.648 20 0 DHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000655550752 1013218637 /nfs/dbraw/zinc/21/86/37/1013218637.db2.gz ASFQBSVSYDGQJH-UHFFFAOYSA-N -1 0 309.365 3.845 20 0 DHADRM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC34CC4)c2C(=O)[O-])C1 ZINC001573830121 961009798 /nfs/dbraw/zinc/00/97/98/961009798.db2.gz NEBDVJCJALNLJL-KOLCDFICSA-N -1 0 319.426 3.700 20 0 DHADRM Cc1ccc(C)c(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC001574359370 961012077 /nfs/dbraw/zinc/01/20/77/961012077.db2.gz DAUDSHJBLHFOAX-CLFYSBASSA-N -1 0 300.310 3.522 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000655551397 1013219670 /nfs/dbraw/zinc/21/96/70/1013219670.db2.gz SQJLLHFBNACGCJ-UHFFFAOYSA-N -1 0 311.381 3.961 20 0 DHADRM Cc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2s1 ZINC000237849288 961032707 /nfs/dbraw/zinc/03/27/07/961032707.db2.gz ZAOZUZMVYNFCOS-UHFFFAOYSA-N -1 0 318.379 3.617 20 0 DHADRM Cc1ccc(Cl)c(OC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001574368188 961054512 /nfs/dbraw/zinc/05/45/12/961054512.db2.gz VAGYJDUFDJVSBZ-HYXAFXHYSA-N -1 0 306.701 3.558 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573836311 961055048 /nfs/dbraw/zinc/05/50/48/961055048.db2.gz PRPBNFVSVOYUBS-BEFAXECRSA-N -1 0 319.445 3.608 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000237966141 961056412 /nfs/dbraw/zinc/05/64/12/961056412.db2.gz OYLNLCCKBXYKEN-UHFFFAOYSA-N -1 0 307.415 3.631 20 0 DHADRM Cc1ccc(N(C)C(=O)C2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC001574368682 961060346 /nfs/dbraw/zinc/06/03/46/961060346.db2.gz BEXOPLNRBLPLSC-UHFFFAOYSA-N -1 0 303.402 3.691 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001573840232 961063820 /nfs/dbraw/zinc/06/38/20/961063820.db2.gz DBFHIQQJHAHXBH-OAGGEKHMSA-N -1 0 303.402 3.535 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573840696 961069395 /nfs/dbraw/zinc/06/93/95/961069395.db2.gz HCAWDGDSYHMZAJ-XJKSGUPXSA-N -1 0 318.417 3.543 20 0 DHADRM CCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001573840712 961069563 /nfs/dbraw/zinc/06/95/63/961069563.db2.gz HLOUQCVQQJUJOX-DTWKUNHWSA-N -1 0 311.403 3.597 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574381659 961106285 /nfs/dbraw/zinc/10/62/85/961106285.db2.gz DWZBWOGICYIFNV-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)CC2 ZINC001574382144 961110881 /nfs/dbraw/zinc/11/08/81/961110881.db2.gz NJSKZHWHTWSSOU-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1ccc2sc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)cc2c1 ZINC001574384913 961130434 /nfs/dbraw/zinc/13/04/34/961130434.db2.gz UCRAANGUYMYDRV-RYUDHWBXSA-N -1 0 317.410 3.535 20 0 DHADRM O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(C(=O)[O-])cc1 ZINC000238183514 961149988 /nfs/dbraw/zinc/14/99/88/961149988.db2.gz GISHZESBYORERI-MDZDMXLPSA-N -1 0 324.361 3.646 20 0 DHADRM CC(C)(C)c1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001588741748 961172867 /nfs/dbraw/zinc/17/28/67/961172867.db2.gz LPAZBVLLUDPGSD-UHFFFAOYSA-N -1 0 311.381 3.612 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001328494343 961209474 /nfs/dbraw/zinc/20/94/74/961209474.db2.gz ONCHBXPXGBNLFB-WDEREUQCSA-N -1 0 324.446 3.625 20 0 DHADRM CC(C)(CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C1CCCCC1 ZINC001588754585 961215066 /nfs/dbraw/zinc/21/50/66/961215066.db2.gz DBTBJMGANSEIMP-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCCCC1 ZINC001588754607 961215124 /nfs/dbraw/zinc/21/51/24/961215124.db2.gz GAKGPTHXTMSLRE-JKSUJKDBSA-N -1 0 321.461 3.552 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001328715738 961219728 /nfs/dbraw/zinc/21/97/28/961219728.db2.gz YDBHBQOTIFMQFN-UHFFFAOYSA-N -1 0 324.808 3.722 20 0 DHADRM O=C(NCCCc1cccc(F)c1)c1ccc([O-])c(Cl)c1 ZINC000109700423 1013248796 /nfs/dbraw/zinc/24/87/96/1013248796.db2.gz PUUSFKFWSRNBDD-UHFFFAOYSA-N -1 0 307.752 3.547 20 0 DHADRM CC[C@@H](C)c1cc(=O)n(-c2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000634603026 1013252680 /nfs/dbraw/zinc/25/26/80/1013252680.db2.gz MKKBVGACKGJVOW-SNVBAGLBSA-N -1 0 314.307 3.767 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C1(C)C ZINC001588797803 961407491 /nfs/dbraw/zinc/40/74/91/961407491.db2.gz VZCSZQGYQPCCNQ-MCIONIFRSA-N -1 0 309.450 3.621 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000262090011 961449899 /nfs/dbraw/zinc/44/98/99/961449899.db2.gz CLLATFAPABDZMH-LJQANCHMSA-N -1 0 323.392 3.585 20 0 DHADRM CCOCc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001573913789 961495834 /nfs/dbraw/zinc/49/58/34/961495834.db2.gz NPKVLRPDEKKMNZ-UHFFFAOYSA-N -1 0 314.341 3.565 20 0 DHADRM CCOc1c(Cl)cccc1NC(=O)C(CC)(CC)C(=O)[O-] ZINC001573918957 961515180 /nfs/dbraw/zinc/51/51/80/961515180.db2.gz SMTQTJUWLIYKSG-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001588813029 961533878 /nfs/dbraw/zinc/53/38/78/961533878.db2.gz INIQEOHMWDCTDF-JTQLQIEISA-N -1 0 322.304 3.561 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000262215152 961562064 /nfs/dbraw/zinc/56/20/64/961562064.db2.gz MAKNBGQLHZJLCB-QGZVFWFLSA-N -1 0 309.365 3.671 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262247633 961591850 /nfs/dbraw/zinc/59/18/50/961591850.db2.gz VEIIVSTYJFAKOT-DOTOQJQBSA-N -1 0 317.429 3.793 20 0 DHADRM CC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001573936597 961598635 /nfs/dbraw/zinc/59/86/35/961598635.db2.gz AJWZVOBMJYMSDG-IQJOONFLSA-N -1 0 307.415 3.556 20 0 DHADRM Cn1ncc(C(=O)[O-])c1CNc1ccc(SC(C)(C)C)cc1 ZINC001574472795 961613534 /nfs/dbraw/zinc/61/35/34/961613534.db2.gz IECDENKKPULXMQ-UHFFFAOYSA-N -1 0 319.430 3.621 20 0 DHADRM CCn1c2ccc(C)cc2nc1NCc1ccc(C(=O)[O-])cc1 ZINC001573970382 961719599 /nfs/dbraw/zinc/71/95/99/961719599.db2.gz MFBFPNZPULZTIH-UHFFFAOYSA-N -1 0 309.369 3.675 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CC1CC(F)(F)C1 ZINC001333946347 961734813 /nfs/dbraw/zinc/73/48/13/961734813.db2.gz VOWCZVCAJPQHPN-UHFFFAOYSA-N -1 0 319.307 3.912 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC001334187323 961772461 /nfs/dbraw/zinc/77/24/61/961772461.db2.gz KWOYSTKKPRHMKX-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000262696694 961813463 /nfs/dbraw/zinc/81/34/63/961813463.db2.gz GLTIIZWCMSGCJJ-BRWVUGGUSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001588842263 961816318 /nfs/dbraw/zinc/81/63/18/961816318.db2.gz XEHXAXXTFVYVIN-CHWSQXEVSA-N -1 0 304.390 3.721 20 0 DHADRM CCCC[C@@H](NCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262718128 961823033 /nfs/dbraw/zinc/82/30/33/961823033.db2.gz TUQMUSWNVUQDHG-OAHLLOKOSA-N -1 0 318.442 3.852 20 0 DHADRM Cc1oc(CN(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)cc1C(=O)[O-] ZINC001334865567 961845741 /nfs/dbraw/zinc/84/57/41/961845741.db2.gz QYCGYUYEGPGIQC-GOSISDBHSA-N -1 0 319.401 3.771 20 0 DHADRM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC12CCCCC2 ZINC000262829818 961895933 /nfs/dbraw/zinc/89/59/33/961895933.db2.gz QURXSVBYBVHDKP-PMPSAXMXSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC12CCCCC2 ZINC000262829814 961896317 /nfs/dbraw/zinc/89/63/17/961896317.db2.gz QURXSVBYBVHDKP-OAGGEKHMSA-N -1 0 321.461 3.696 20 0 DHADRM CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(F)(F)F ZINC000402714759 1013294939 /nfs/dbraw/zinc/29/49/39/1013294939.db2.gz FXUMUNXQJYBGJE-MRVPVSSYSA-N -1 0 320.267 3.684 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC001588848085 961907699 /nfs/dbraw/zinc/90/76/99/961907699.db2.gz DLPYKPNDUBWQSH-RBSFLKMASA-N -1 0 311.466 3.702 20 0 DHADRM CC[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000262859681 961925646 /nfs/dbraw/zinc/92/56/46/961925646.db2.gz DZSWDVSTQVVBTD-CQSZACIVSA-N -1 0 323.392 3.924 20 0 DHADRM O=C([O-])CC1(NC(=O)CCCCCc2cccs2)CCCC1 ZINC000262870698 961940543 /nfs/dbraw/zinc/94/05/43/961940543.db2.gz JNLFMBHHSSZLOF-UHFFFAOYSA-N -1 0 323.458 3.755 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574019766 961956536 /nfs/dbraw/zinc/95/65/36/961956536.db2.gz LENISGHRURVHNE-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000262911130 961989831 /nfs/dbraw/zinc/98/98/31/961989831.db2.gz JRYQKRJESFVLOJ-JYJNAYRXSA-N -1 0 317.429 3.781 20 0 DHADRM Cc1cccc2cc(C(=O)NCCCCCCC(=O)[O-])oc21 ZINC000262913290 961992137 /nfs/dbraw/zinc/99/21/37/961992137.db2.gz CZPJWAUYDABBMG-UHFFFAOYSA-N -1 0 303.358 3.506 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC[C@H]1CCCc2ccccc21 ZINC001574567247 962042610 /nfs/dbraw/zinc/04/26/10/962042610.db2.gz DMDAUMVJEYISFN-CQSZACIVSA-N -1 0 324.380 3.626 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N(C)C(C)(C)CC(=O)[O-])c2c1 ZINC001339539898 962043119 /nfs/dbraw/zinc/04/31/19/962043119.db2.gz PWUNYYJJOHFCQA-UHFFFAOYSA-N -1 0 317.385 3.882 20 0 DHADRM CC(C)CC[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001588873161 962097592 /nfs/dbraw/zinc/09/75/92/962097592.db2.gz AIVFQZACSVZABW-FZMZJTMJSA-N -1 0 311.809 3.654 20 0 DHADRM CC(C)CC[C@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001588873162 962098034 /nfs/dbraw/zinc/09/80/34/962098034.db2.gz AIVFQZACSVZABW-RISCZKNCSA-N -1 0 311.809 3.654 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C1CCCCCCC1 ZINC000263039550 962162224 /nfs/dbraw/zinc/16/22/24/962162224.db2.gz VQCPEIQXGGTJIY-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CC(C)C[C@@H](Nc1cc(-c2cccc(Cl)c2)ncn1)C(=O)[O-] ZINC001588887422 962183418 /nfs/dbraw/zinc/18/34/18/962183418.db2.gz MWYUWBIBRDLNGS-CQSZACIVSA-N -1 0 319.792 3.708 20 0 DHADRM CC(C)C[C@H](CNC(=O)[C@H](c1ccccc1)C(C)C)CC(=O)[O-] ZINC001588887614 962187832 /nfs/dbraw/zinc/18/78/32/962187832.db2.gz NMQVLAKOLJHDQX-YJBOKZPZSA-N -1 0 319.445 3.679 20 0 DHADRM CCc1cccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000519445735 1013320371 /nfs/dbraw/zinc/32/03/71/1013320371.db2.gz CZFVJXXDNYQYLJ-UHFFFAOYSA-N -1 0 307.752 3.928 20 0 DHADRM CC(C)C[C@H](CNC(=O)NC1(C2CCCCC2)CC1)CC(=O)[O-] ZINC001588892769 962211140 /nfs/dbraw/zinc/21/11/40/962211140.db2.gz FBVVLGQLFQVUGM-AWEZNQCLSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)C[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001588899768 962250798 /nfs/dbraw/zinc/25/07/98/962250798.db2.gz YBBNHEBGLRSIHA-KRWDZBQOSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001588906319 962281021 /nfs/dbraw/zinc/28/10/21/962281021.db2.gz YHMASRDPVYIAAP-INIZCTEOSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)Cc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588906385 962283255 /nfs/dbraw/zinc/28/32/55/962283255.db2.gz CKEJGZDUJFELPQ-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575196 1013331286 /nfs/dbraw/zinc/33/12/86/1013331286.db2.gz HVCALFUOUITSPS-VHDGCEQUSA-N -1 0 323.477 3.845 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263169314 962322936 /nfs/dbraw/zinc/32/29/36/962322936.db2.gz FSXNAUPRYHHAGL-JEBQAFNWSA-N -1 0 323.392 3.925 20 0 DHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc3c(c2)CCCCC3)CC=CCC1 ZINC001574640489 962346623 /nfs/dbraw/zinc/34/66/23/962346623.db2.gz FCLMHOSNDVOSPT-IBGZPJMESA-N -1 0 313.397 3.705 20 0 DHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C1CC1 ZINC000263211045 962366522 /nfs/dbraw/zinc/36/65/22/962366522.db2.gz ZQLKVQCFGMBWLH-YVEFUNNKSA-N -1 0 311.381 3.518 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000263268942 962407491 /nfs/dbraw/zinc/40/74/91/962407491.db2.gz HXFZIACQOBORSN-SJORKVTESA-N -1 0 317.429 3.549 20 0 DHADRM Cc1cccc(C2(CNC(=O)CCCCC(=O)[O-])CCCC2)c1 ZINC000263303264 962445113 /nfs/dbraw/zinc/44/51/13/962445113.db2.gz NTKMFCXUVNLFSH-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM C[C@@H](NC(=O)CCCC1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578534 1013345163 /nfs/dbraw/zinc/34/51/63/1013345163.db2.gz BQJPKQCYVGNOCS-VHDGCEQUSA-N -1 0 309.450 3.599 20 0 DHADRM CCc1oc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC000263356799 962511281 /nfs/dbraw/zinc/51/12/81/962511281.db2.gz XFMGXNFALHKCTQ-NSHDSACASA-N -1 0 301.342 3.591 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263362381 962519377 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O=C([O-])CC1(C(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC001574671792 962554396 /nfs/dbraw/zinc/55/43/96/962554396.db2.gz ZFWMHDIZUBLDSA-UHFFFAOYSA-N -1 0 302.157 3.577 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCCC2=CCCCCC2)C1 ZINC001574692105 962642681 /nfs/dbraw/zinc/64/26/81/962642681.db2.gz MLSKDZHWJIDBPM-INIZCTEOSA-N -1 0 322.449 3.553 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001588968570 962657596 /nfs/dbraw/zinc/65/75/96/962657596.db2.gz LRSYHSAVSQKGKN-LJQANCHMSA-N -1 0 315.413 3.590 20 0 DHADRM O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC001574697530 962667770 /nfs/dbraw/zinc/66/77/70/962667770.db2.gz QNIWGJVLDQCAHE-UHFFFAOYSA-N -1 0 324.789 3.657 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)NC2(C3CCC3)CCC2)c1 ZINC001574709316 962695156 /nfs/dbraw/zinc/69/51/56/962695156.db2.gz CETFXQOMIGBVJX-UHFFFAOYSA-N -1 0 316.401 3.548 20 0 DHADRM CCCC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCC1 ZINC000263516911 962698898 /nfs/dbraw/zinc/69/88/98/962698898.db2.gz FBTRQPILJNGWRI-QGZVFWFLSA-N -1 0 317.429 3.793 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000263563895 962732181 /nfs/dbraw/zinc/73/21/81/962732181.db2.gz DQHMDQWZJUUDSZ-AWEZNQCLSA-N -1 0 303.402 3.808 20 0 DHADRM C[C@@H](CCC1CC1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000263580991 962748356 /nfs/dbraw/zinc/74/83/56/962748356.db2.gz WOVBGWGXEGHCBV-RYUDHWBXSA-N -1 0 321.442 3.560 20 0 DHADRM C[C@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)cc1 ZINC001588988896 962791907 /nfs/dbraw/zinc/79/19/07/962791907.db2.gz PHWQBQPFHWKNIY-IUODEOHRSA-N -1 0 323.408 3.715 20 0 DHADRM CC(C)c1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000315313044 963879139 /nfs/dbraw/zinc/87/91/39/963879139.db2.gz KGSIYBFLTFUFNE-NSHDSACASA-N -1 0 304.415 3.816 20 0 DHADRM O=C([O-])CC1(CC(=O)N2CCC[C@@H]2c2ccsc2)CCCC1 ZINC000315363010 963890022 /nfs/dbraw/zinc/89/00/22/963890022.db2.gz BNASZPPDEHVPQH-CQSZACIVSA-N -1 0 321.442 3.837 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584312 1013493528 /nfs/dbraw/zinc/49/35/28/1013493528.db2.gz INTFEWQCTIZQNW-QCEMKRCNSA-N -1 0 323.477 3.845 20 0 DHADRM O=C([O-])CCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037835266 967513868 /nfs/dbraw/zinc/51/38/68/967513868.db2.gz ZYDZNKVRMWDIBZ-GFCCVEGCSA-N -1 0 316.184 3.522 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000262036435 967808486 /nfs/dbraw/zinc/80/84/86/967808486.db2.gz ZRFGLBYKPPGXQJ-UHFFFAOYSA-N -1 0 305.374 3.592 20 0 DHADRM Cc1ccc(C)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000316035358 967977530 /nfs/dbraw/zinc/97/75/30/967977530.db2.gz VKNGZEKWHHPRAF-AWEZNQCLSA-N -1 0 306.406 3.562 20 0 DHADRM O=C([O-])c1ccccc1C1CCN(C(=O)CCC2CCC2)CC1 ZINC000368889839 968059646 /nfs/dbraw/zinc/05/96/46/968059646.db2.gz RSXMMJBQKKFNAS-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000625970649 968513471 /nfs/dbraw/zinc/51/34/71/968513471.db2.gz WSSJJHCFZWTCKI-PSASIEDQSA-N -1 0 320.191 3.675 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000647160521 968572104 /nfs/dbraw/zinc/57/21/04/968572104.db2.gz SAXFQNYTGYNRDV-SMDDNHRTSA-N -1 0 309.793 3.504 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000653533809 968670830 /nfs/dbraw/zinc/67/08/30/968670830.db2.gz HEHQUBUNEIFCGA-AEGPPILISA-N -1 0 318.417 3.560 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000659767113 968747232 /nfs/dbraw/zinc/74/72/32/968747232.db2.gz NNIAZXXAFAHAOF-UHOFOFEASA-N -1 0 317.429 3.675 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3ncccc3c2)CCCCCC1 ZINC000663106958 968812017 /nfs/dbraw/zinc/81/20/17/968812017.db2.gz AEXJOUAQEBLPJD-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1ccc(F)c(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000683920531 968873589 /nfs/dbraw/zinc/87/35/89/968873589.db2.gz DTBVYTSRUKWGQW-LBPRGKRZSA-N -1 0 310.369 3.535 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864113539 969316139 /nfs/dbraw/zinc/31/61/39/969316139.db2.gz WBEXDQVACGQROT-CSKARUKUSA-N -1 0 307.390 3.664 20 0 DHADRM CCc1ncccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001210464290 1013869376 /nfs/dbraw/zinc/86/93/76/1013869376.db2.gz CWYCBANOJAFEOP-UHFFFAOYSA-N -1 0 302.136 3.934 20 0 DHADRM CCCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC001341448219 969753206 /nfs/dbraw/zinc/75/32/06/969753206.db2.gz DLMBCGWACYXONZ-ZIAGYGMSSA-N -1 0 324.421 3.572 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013469952 1013946068 /nfs/dbraw/zinc/94/60/68/1013946068.db2.gz JYUWNBXSJUHGEN-UHFFFAOYSA-N -1 0 319.401 3.663 20 0 DHADRM CC(C)(CNC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000083601972 1013986656 /nfs/dbraw/zinc/98/66/56/1013986656.db2.gz HQMKOILYLYFAQQ-UHFFFAOYSA-N -1 0 309.818 3.815 20 0 DHADRM C[C@H](Nc1ncc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092491 1013992587 /nfs/dbraw/zinc/99/25/87/1013992587.db2.gz NKWXRDMMFBSHMR-BIIVOSGPSA-N -1 0 322.352 3.709 20 0 DHADRM C[C@H](C(=O)[O-])c1noc(-c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC001609717715 970491507 /nfs/dbraw/zinc/49/15/07/970491507.db2.gz BAKYOLXLDMIGNR-YFKPBYRVSA-N -1 0 320.654 3.597 20 0 DHADRM COc1c(C)ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1C ZINC000580079470 1014017747 /nfs/dbraw/zinc/01/77/47/1014017747.db2.gz QETWRWSJOFWNQE-UHFFFAOYSA-N -1 0 319.401 3.532 20 0 DHADRM CC[C@@H](S[C@@H](C)c1nc(-c2ccccc2C)no1)C(=O)[O-] ZINC001610170496 970690224 /nfs/dbraw/zinc/69/02/24/970690224.db2.gz NCSRVKJHLXDUJB-CMPLNLGQSA-N -1 0 306.387 3.702 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)NCc1ccccc1C(=O)[O-] ZINC001603329021 972687226 /nfs/dbraw/zinc/68/72/26/972687226.db2.gz UIDRQTGUTGLLRJ-CQSZACIVSA-N -1 0 303.402 3.608 20 0 DHADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCCCC2)[C@@H]1c1ccccc1 ZINC001603329797 972698183 /nfs/dbraw/zinc/69/81/83/972698183.db2.gz ZAMXJONPFLJDBR-OAHLLOKOSA-N -1 0 315.413 3.631 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc3[nH]ccc3cc2C)c1 ZINC001605141085 972818163 /nfs/dbraw/zinc/81/81/63/972818163.db2.gz OXJJFCDMFIYNBI-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396461097 972895063 /nfs/dbraw/zinc/89/50/63/972895063.db2.gz VGHCCMVKWRSKJE-SNVBAGLBSA-N -1 0 320.776 3.602 20 0 DHADRM Cc1cc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)ccc1Cl ZINC001605192365 972911894 /nfs/dbraw/zinc/91/18/94/972911894.db2.gz NPSCDBQDYXANPC-UHFFFAOYSA-N -1 0 309.793 3.724 20 0 DHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)C1CCCCC1 ZINC000317359979 1014077909 /nfs/dbraw/zinc/07/79/09/1014077909.db2.gz USGJQGPKAVLEFQ-CQSZACIVSA-N -1 0 309.450 3.887 20 0 DHADRM Cc1ccc(CCOC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001605273244 973057281 /nfs/dbraw/zinc/05/72/81/973057281.db2.gz RKZLSNYSEXAMGL-UHFFFAOYSA-N -1 0 304.386 3.506 20 0 DHADRM Cc1ccc2c(c1C)N(C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC001605314405 973138750 /nfs/dbraw/zinc/13/87/50/973138750.db2.gz ITFPPLRHMJHFPM-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N3CCC[C@@]3(C)C(=O)[O-])c2)c1 ZINC001605318244 973147334 /nfs/dbraw/zinc/14/73/34/973147334.db2.gz BZRLXXOGZSHOHU-FQEVSTJZSA-N -1 0 323.392 3.741 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@]1(C)CC1(Cl)Cl ZINC001605320592 973156232 /nfs/dbraw/zinc/15/62/32/973156232.db2.gz UBFSOQHNPWFJTP-CYBMUJFWSA-N -1 0 316.184 3.606 20 0 DHADRM Cc1cccc([C@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-])c1 ZINC001605328133 973177951 /nfs/dbraw/zinc/17/79/51/973177951.db2.gz KVLROOITVNHZGH-HNNXBMFYSA-N -1 0 323.458 3.549 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC001605329163 973194653 /nfs/dbraw/zinc/19/46/53/973194653.db2.gz UUINYDXYZCHBLJ-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM O=c1[nH]ncc(Nc2cc(Cl)c(O)c(Cl)c2)c1Cl ZINC001210926802 1014089049 /nfs/dbraw/zinc/08/90/49/1014089049.db2.gz OJAACBTYAWVIHE-UHFFFAOYSA-N -1 0 306.536 3.592 20 0 DHADRM [S-]c1cccc(Nc2ncc(Cl)nc2Br)c1 ZINC001210945814 1014094197 /nfs/dbraw/zinc/09/41/97/1014094197.db2.gz VXDUMVOZALLLDA-UHFFFAOYSA-N -1 0 316.611 3.925 20 0 DHADRM CS(=O)(=O)c1ccc(Nc2cccc([S-])c2)cc1Cl ZINC001210947593 1014094398 /nfs/dbraw/zinc/09/43/98/1014094398.db2.gz URJILQSSCQGEGQ-UHFFFAOYSA-N -1 0 313.831 3.776 20 0 DHADRM C[NH+]1CCN(c2ccc(F)cc2Nc2cccc([S-])c2)CC1 ZINC001210947437 1014095111 /nfs/dbraw/zinc/09/51/11/1014095111.db2.gz MYRHTCPKVJNUIG-UHFFFAOYSA-N -1 0 317.433 3.610 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000400375286 973267991 /nfs/dbraw/zinc/26/79/91/973267991.db2.gz IOJSNRKCPLWRJX-PELKAZGASA-N -1 0 318.200 3.613 20 0 DHADRM O=C([O-])c1ccccc1Nc1cc(O)ccc1Br ZINC001210967414 1014098119 /nfs/dbraw/zinc/09/81/19/1014098119.db2.gz FXYHVZAEEPMNEJ-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM O=C([O-])c1ccccc1Nc1cc(Br)ccc1O ZINC001210967563 1014098144 /nfs/dbraw/zinc/09/81/44/1014098144.db2.gz JUMVSQBMEMNTBM-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM Cc1cn(-c2ccc(Nc3ccccc3C(=O)[O-])cc2F)cn1 ZINC001210968470 1014098767 /nfs/dbraw/zinc/09/87/67/1014098767.db2.gz HWVLGRVUQOTAPK-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM COc1cc(Nc2ccccc2C(=O)[O-])ccc1-c1cnco1 ZINC001210969477 1014098837 /nfs/dbraw/zinc/09/88/37/1014098837.db2.gz RYUQHDVNXICICN-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM Cc1ccsc1CCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605367109 973305951 /nfs/dbraw/zinc/30/59/51/973305951.db2.gz IWWRTQUXNJETBO-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000401295606 973351610 /nfs/dbraw/zinc/35/16/10/973351610.db2.gz PQMUVDHIZMCMPS-LLVKDONJSA-N -1 0 318.200 3.613 20 0 DHADRM O=C([O-])CCCCC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001606142034 973394625 /nfs/dbraw/zinc/39/46/25/973394625.db2.gz OEVOGTIFJKETDF-DLBZAZTESA-N -1 0 317.429 3.722 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001603483243 973399166 /nfs/dbraw/zinc/39/91/66/973399166.db2.gz YSAFUONIROYHDR-YWVDXFKGSA-N -1 0 302.374 3.595 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1cc(Cl)cc(Cl)c1F ZINC001606146027 973399942 /nfs/dbraw/zinc/39/99/42/973399942.db2.gz 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973822108 /nfs/dbraw/zinc/82/21/08/973822108.db2.gz VVFHXCCCXWOQBR-SJCJKPOMSA-N -1 0 323.820 3.547 20 0 DHADRM CCCCCCOc1ccc(C(=O)N(C)[C@@H](CC)C(=O)[O-])cc1 ZINC001603640414 973981735 /nfs/dbraw/zinc/98/17/35/973981735.db2.gz GCEMSAMPFKOLMX-INIZCTEOSA-N -1 0 321.417 3.581 20 0 DHADRM Cc1cccc([C@H]2CCCCCN2C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000656233300 1014170066 /nfs/dbraw/zinc/17/00/66/1014170066.db2.gz IZTPUSMAZPMQGC-DOTOQJQBSA-N -1 0 317.429 3.940 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655363253 1014173494 /nfs/dbraw/zinc/17/34/94/1014173494.db2.gz MCCVRXBTRKPRFE-CYBMUJFWSA-N -1 0 309.356 3.855 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CCCCC2)C2CC2)c(F)c1 ZINC000478835598 974209508 /nfs/dbraw/zinc/20/95/08/974209508.db2.gz HGEBHTQMOAZNNL-UHFFFAOYSA-N -1 0 319.376 3.709 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCc3ccccc32)c(F)c1 ZINC000478831834 974209566 /nfs/dbraw/zinc/20/95/66/974209566.db2.gz GHLNHWBUGIJNOG-UHFFFAOYSA-N -1 0 313.328 3.507 20 0 DHADRM O=C([O-])c1cnc(/C=C/c2ccc(OCC3CC3)cc2)s1 ZINC000478920060 974213978 /nfs/dbraw/zinc/21/39/78/974213978.db2.gz DJLNLTSLQKVELX-VMPITWQZSA-N -1 0 301.367 3.801 20 0 DHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000519773383 974334732 /nfs/dbraw/zinc/33/47/32/974334732.db2.gz LBGFLBYYXOADRI-BBRMVZONSA-N -1 0 319.401 3.617 20 0 DHADRM COc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1Cl ZINC000520824258 974341772 /nfs/dbraw/zinc/34/17/72/974341772.db2.gz TXOVGJWRXHKSQC-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM C[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000189454499 1014186308 /nfs/dbraw/zinc/18/63/08/1014186308.db2.gz UFIQKRLNVGKPQF-IUCAKERBSA-N -1 0 301.308 3.508 20 0 DHADRM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(F)CC1 ZINC000530171313 974361723 /nfs/dbraw/zinc/36/17/23/974361723.db2.gz AANFFTVGBSOYGA-NSHDSACASA-N -1 0 324.154 3.850 20 0 DHADRM C[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000189454544 1014188157 /nfs/dbraw/zinc/18/81/57/1014188157.db2.gz 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C[C@]1(C(=O)[O-])CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000563277721 974524761 /nfs/dbraw/zinc/52/47/61/974524761.db2.gz KJROTMKTJRYMFV-HNNXBMFYSA-N -1 0 316.228 3.723 20 0 DHADRM Cc1sc(N2CC[C@@H](c3ccccc3)[C@H]2C)nc1C(=O)[O-] ZINC000565719440 974587803 /nfs/dbraw/zinc/58/78/03/974587803.db2.gz XCTZIMJWQJGPDS-ZWNOBZJWSA-N -1 0 302.399 3.532 20 0 DHADRM COc1ccc(Cl)c(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000566361804 974609379 /nfs/dbraw/zinc/60/93/79/974609379.db2.gz MPSQFUCOYMITOL-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM O=C([O-])c1ccc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)nc1 ZINC000568060917 974657108 /nfs/dbraw/zinc/65/71/08/974657108.db2.gz SYWXLYQNFVOADC-LJQANCHMSA-N -1 0 322.408 3.822 20 0 DHADRM C[C@@H]1C[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C(C)(C)C1 ZINC000568061810 974657183 /nfs/dbraw/zinc/65/71/83/974657183.db2.gz RXUBLNZIWUTZKD-LBPRGKRZSA-N -1 0 314.385 3.660 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000568246061 974662986 /nfs/dbraw/zinc/66/29/86/974662986.db2.gz DTTGOPVJHYJMJS-BBRMVZONSA-N -1 0 305.418 3.699 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1)C(=O)[O-] ZINC000568631562 974674474 /nfs/dbraw/zinc/67/44/74/974674474.db2.gz QRFSKGARALFGSJ-LLVKDONJSA-N -1 0 313.353 3.673 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1csc(-c2cccs2)n1 ZINC000575131200 974795820 /nfs/dbraw/zinc/79/58/20/974795820.db2.gz YCNVMWWSSCUEAT-LBPRGKRZSA-N -1 0 324.471 3.803 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)CC1)C(=O)[O-] ZINC000578328947 974852659 /nfs/dbraw/zinc/85/26/59/974852659.db2.gz POAGOOKELSDGTC-BFYDXBDKSA-N -1 0 317.429 3.562 20 0 DHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)CCC(=O)[O-] ZINC000578595105 974858125 /nfs/dbraw/zinc/85/81/25/974858125.db2.gz GJPYZCWWYMZUJU-UHFFFAOYSA-N -1 0 313.353 3.899 20 0 DHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000579478370 974875976 /nfs/dbraw/zinc/87/59/76/974875976.db2.gz YSAICEFKZLWICF-CYBMUJFWSA-N -1 0 313.353 3.591 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737593 974915005 /nfs/dbraw/zinc/91/50/05/974915005.db2.gz LXXMDSMUTAPDIK-MRXNPFEDSA-N -1 0 324.380 3.866 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000618020607 975024523 /nfs/dbraw/zinc/02/45/23/975024523.db2.gz PYMYCHGUVPEVPB-RQJHMYQMSA-N -1 0 322.213 3.527 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)oc1C(=O)[O-] ZINC000630107077 975103717 /nfs/dbraw/zinc/10/37/17/975103717.db2.gz AATXSNZFHINTSH-CQSZACIVSA-N -1 0 313.353 3.572 20 0 DHADRM CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000630108050 975104641 /nfs/dbraw/zinc/10/46/41/975104641.db2.gz ZPRQLUHYVRWZPZ-LBPRGKRZSA-N -1 0 321.760 3.821 20 0 DHADRM Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000630118578 975109097 /nfs/dbraw/zinc/10/90/97/975109097.db2.gz KNHMLMDIKGPPFH-OAHLLOKOSA-N -1 0 315.369 3.756 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000630135075 975119885 /nfs/dbraw/zinc/11/98/85/975119885.db2.gz 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ZINC000630274167 975218622 /nfs/dbraw/zinc/21/86/22/975218622.db2.gz LXBVVPBXJOLRDD-YESZJQIVSA-N -1 0 317.429 3.699 20 0 DHADRM CCC[C@H](OCC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000630287616 975231665 /nfs/dbraw/zinc/23/16/65/975231665.db2.gz PYMXKVGOLCKIJH-INIZCTEOSA-N -1 0 315.369 3.682 20 0 DHADRM CCO[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC000630290703 975232912 /nfs/dbraw/zinc/23/29/12/975232912.db2.gz YRXLNLGIONJVMS-INIZCTEOSA-N -1 0 315.369 3.538 20 0 DHADRM CCO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC000630290704 975233235 /nfs/dbraw/zinc/23/32/35/975233235.db2.gz YRXLNLGIONJVMS-MRXNPFEDSA-N -1 0 315.369 3.538 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)s1 ZINC000630305387 975241557 /nfs/dbraw/zinc/24/15/57/975241557.db2.gz PCZLJBKFDYYRSL-UHFFFAOYSA-N -1 0 319.357 3.642 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2cccs2)cc1 ZINC000630327373 975254097 /nfs/dbraw/zinc/25/40/97/975254097.db2.gz DVOILYPHGTYJRU-LSDHHAIUSA-N -1 0 315.394 3.508 20 0 DHADRM CC(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000642146350 975289022 /nfs/dbraw/zinc/28/90/22/975289022.db2.gz XYFFAGOPVFEHKY-UHFFFAOYSA-N -1 0 315.344 3.975 20 0 DHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000642148618 975290224 /nfs/dbraw/zinc/29/02/24/975290224.db2.gz JRYDOGYPKBSJFK-HUUCEWRRSA-N -1 0 313.328 3.575 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000642148616 975290231 /nfs/dbraw/zinc/29/02/31/975290231.db2.gz JRYDOGYPKBSJFK-CABCVRRESA-N -1 0 313.328 3.575 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000643429641 975302623 /nfs/dbraw/zinc/30/26/23/975302623.db2.gz YCXCAHZIXYSNQR-OAHLLOKOSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000643429640 975302704 /nfs/dbraw/zinc/30/27/04/975302704.db2.gz YCXCAHZIXYSNQR-HNNXBMFYSA-N -1 0 317.429 3.672 20 0 DHADRM O=C([O-])c1cnc(N2CCC[C@@H]2c2cccs2)c(Cl)c1 ZINC000647445105 975359450 /nfs/dbraw/zinc/35/94/50/975359450.db2.gz 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ZINC000649257889 975397968 /nfs/dbraw/zinc/39/79/68/975397968.db2.gz AFYCFLLDVUAKPK-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000649507088 975422358 /nfs/dbraw/zinc/42/23/58/975422358.db2.gz KOHXRVAMEZLNMW-LBPRGKRZSA-N -1 0 317.360 3.710 20 0 DHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000580636416 1014261981 /nfs/dbraw/zinc/26/19/81/1014261981.db2.gz VHSSTNLGKUMLLU-UHFFFAOYSA-N -1 0 322.455 3.558 20 0 DHADRM C[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(Cl)s1 ZINC000652079582 975475639 /nfs/dbraw/zinc/47/56/39/975475639.db2.gz JKEBQGIYJXRZAV-IUCAKERBSA-N -1 0 317.838 3.511 20 0 DHADRM CC(C)O[C@@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1(C)C ZINC001591696871 975540673 /nfs/dbraw/zinc/54/06/73/975540673.db2.gz YPMUFWUILWUGSY-VVLHAWIVSA-N -1 0 317.429 3.879 20 0 DHADRM CC(C)O[C@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1(C)C ZINC001591696869 975540824 /nfs/dbraw/zinc/54/08/24/975540824.db2.gz YPMUFWUILWUGSY-HZMVEIRTSA-N -1 0 317.429 3.879 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653637869 975601391 /nfs/dbraw/zinc/60/13/91/975601391.db2.gz FYZLUBSVNYMDEW-GOSISDBHSA-N -1 0 323.392 3.599 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)C1CC1 ZINC000653640874 975607408 /nfs/dbraw/zinc/60/74/08/975607408.db2.gz RHLKCPYHMZPQJL-IBGZPJMESA-N -1 0 323.392 3.503 20 0 DHADRM O=C([O-])Cc1cccc(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000653641391 975607825 /nfs/dbraw/zinc/60/78/25/975607825.db2.gz BSZTVQJFULMXKN-UHFFFAOYSA-N -1 0 323.392 3.761 20 0 DHADRM CCCNc1ccc(Cl)cc1NC(=O)CCCCC(=O)[O-] ZINC000655541999 975624155 /nfs/dbraw/zinc/62/41/55/975624155.db2.gz SCGUPLJLRZREDJ-UHFFFAOYSA-N -1 0 312.797 3.745 20 0 DHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000656244587 975656553 /nfs/dbraw/zinc/65/65/53/975656553.db2.gz LVNBUHNNOKSWKA-LLVKDONJSA-N -1 0 317.385 3.509 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000656486919 975659591 /nfs/dbraw/zinc/65/95/91/975659591.db2.gz SSSCBZOIRKPCRU-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(Cl)cc1 ZINC000659117958 975713356 /nfs/dbraw/zinc/71/33/56/975713356.db2.gz AKVHNGXMNJOHKF-ZDUSSCGKSA-N -1 0 321.760 3.821 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1cccs1 ZINC000659120360 975717661 /nfs/dbraw/zinc/71/76/61/975717661.db2.gz KZJDVHCAHKSHBJ-CYBMUJFWSA-N -1 0 321.442 3.741 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1cccs1 ZINC000659121173 975720406 /nfs/dbraw/zinc/72/04/06/975720406.db2.gz QZPSDVKLPAEEGA-RSUWNVLCSA-N -1 0 321.442 3.597 20 0 DHADRM C[C@@H](CN(C(=O)c1cccc(C2CCCC2)c1)C1CC1)C(=O)[O-] ZINC000659141614 975741968 /nfs/dbraw/zinc/74/19/68/975741968.db2.gz KPSSUQXGAVNVHF-ZDUSSCGKSA-N -1 0 315.413 3.670 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC000659146868 975746768 /nfs/dbraw/zinc/74/67/68/975746768.db2.gz KUHKIOXLHYMHHX-UKRRQHHQSA-N -1 0 315.413 3.859 20 0 DHADRM COc1cc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)ccc1C(=O)[O-] ZINC000659154662 975754212 /nfs/dbraw/zinc/75/42/12/975754212.db2.gz UNDKTKRUFCRRAQ-VIKVFOODSA-N -1 0 317.385 3.548 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1 ZINC000659160930 975760350 /nfs/dbraw/zinc/76/03/50/975760350.db2.gz PCTGOIQTQSCUHZ-FZKQIMNGSA-N -1 0 301.386 3.950 20 0 DHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1F ZINC000659178463 975774762 /nfs/dbraw/zinc/77/47/62/975774762.db2.gz CRBQPRKXNDZXBN-XEZPLFJOSA-N -1 0 321.392 3.530 20 0 DHADRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC000659182454 975777437 /nfs/dbraw/zinc/77/74/37/975777437.db2.gz NTEGKEMBQOSMJK-IUODEOHRSA-N -1 0 317.429 3.603 20 0 DHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000659223058 975834073 /nfs/dbraw/zinc/83/40/73/975834073.db2.gz BCOHBYYCYVCLSD-KBPBESRZSA-N -1 0 321.376 3.534 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)C2CC3(C2)CCCCC3)c(F)c1 ZINC000659223612 975835727 /nfs/dbraw/zinc/83/57/27/975835727.db2.gz OZYJMHWVCAFESQ-UHFFFAOYSA-N -1 0 319.376 3.501 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000659233664 975843385 /nfs/dbraw/zinc/84/33/85/975843385.db2.gz NYSGMEYLPBMSCZ-GVDBMIGSSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1(F)CCCCC1 ZINC001591761188 975847427 /nfs/dbraw/zinc/84/74/27/975847427.db2.gz IMPDATRNAQLENC-UHFFFAOYSA-N -1 0 323.364 3.783 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1C(C)(C)C1(C)C ZINC001591762368 975858244 /nfs/dbraw/zinc/85/82/44/975858244.db2.gz UEGYDTZWMSVDQG-UHFFFAOYSA-N -1 0 319.401 3.793 20 0 DHADRM O=C([O-])CCC1CCN(c2ccc3c(Cl)cccc3n2)CC1 ZINC000662884070 975911025 /nfs/dbraw/zinc/91/10/25/975911025.db2.gz RFSTVNBXMUPNDM-UHFFFAOYSA-N -1 0 318.804 3.969 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000663119280 975924857 /nfs/dbraw/zinc/92/48/57/975924857.db2.gz KPBNYSQMQCYYQQ-MSOLQXFVSA-N -1 0 323.392 3.853 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)C2CCC2)c(C(=O)[O-])c1 ZINC001591780682 975946756 /nfs/dbraw/zinc/94/67/56/975946756.db2.gz MIDIVEDSJWMVGW-LLVKDONJSA-N -1 0 305.374 3.547 20 0 DHADRM CC(C)Oc1cccc([C@H](C)N[C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791819 975989914 /nfs/dbraw/zinc/98/99/14/975989914.db2.gz PHNHSWSJXPNIRC-NWDGAFQWSA-N -1 0 318.373 3.572 20 0 DHADRM CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791820 975990239 /nfs/dbraw/zinc/99/02/39/975990239.db2.gz PHNHSWSJXPNIRC-RYUDHWBXSA-N -1 0 318.373 3.572 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C2)cc1 ZINC000668300721 975991371 /nfs/dbraw/zinc/99/13/71/975991371.db2.gz UHWQQTVNDVAUBL-ZBFHGGJFSA-N -1 0 317.429 3.590 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@H]1C ZINC000668301449 975991483 /nfs/dbraw/zinc/99/14/83/975991483.db2.gz KSKSYGUNBJNMPE-KGLIPLIRSA-N -1 0 323.392 3.922 20 0 DHADRM CC(C)Oc1cccc(NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001591795761 976001536 /nfs/dbraw/zinc/00/15/36/976001536.db2.gz JPIZGFFQVFJBGO-HJWRWDBZSA-N -1 0 301.342 3.777 20 0 DHADRM COc1cccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1F ZINC000669478091 976006008 /nfs/dbraw/zinc/00/60/08/976006008.db2.gz ANIIAGNRXDMGJA-GFCCVEGCSA-N -1 0 317.360 3.710 20 0 DHADRM COc1cccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1F ZINC000669478092 976006674 /nfs/dbraw/zinc/00/66/74/976006674.db2.gz ANIIAGNRXDMGJA-LBPRGKRZSA-N -1 0 317.360 3.710 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC000682437331 976073536 /nfs/dbraw/zinc/07/35/36/976073536.db2.gz IWHHXHDSXKGCDW-RDJZCZTQSA-N -1 0 315.413 3.881 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000683328547 976088384 /nfs/dbraw/zinc/08/83/84/976088384.db2.gz CVMJBDCIXADYTJ-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM COCC1(c2noc(-c3cc(Cl)ccc3[O-])n2)CCCC1 ZINC000312974953 1014322372 /nfs/dbraw/zinc/32/23/72/1014322372.db2.gz DWRQOQYPKJFQBT-UHFFFAOYSA-N -1 0 308.765 3.554 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001591942315 976468157 /nfs/dbraw/zinc/46/81/57/976468157.db2.gz OXLKCTZHMLAROV-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1ccc(CCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591952675 976512401 /nfs/dbraw/zinc/51/24/01/976512401.db2.gz LXYLDTBTZQQHMS-INIZCTEOSA-N -1 0 319.445 3.748 20 0 DHADRM CC1(C)CN(C(=O)c2c([O-])cccc2F)CC[C@@H]1C(F)(F)F ZINC000190667551 1014332230 /nfs/dbraw/zinc/33/22/30/1014332230.db2.gz KAHBEYOEQSEYGQ-NSHDSACASA-N -1 0 319.298 3.582 20 0 DHADRM CC(C)c1ccc(NC(=O)N(C)Cc2ccco2)c(C(=O)[O-])c1 ZINC001591965136 976555713 /nfs/dbraw/zinc/55/57/13/976555713.db2.gz FTLYPELHPSELQZ-UHFFFAOYSA-N -1 0 316.357 3.765 20 0 DHADRM CC(C)c1ccc(NC(=O)N[C@H](C)CC(=O)[O-])c(C(C)C)c1 ZINC001591965150 976555975 /nfs/dbraw/zinc/55/59/75/976555975.db2.gz GPCMANKWTONJLA-GFCCVEGCSA-N -1 0 306.406 3.918 20 0 DHADRM CC(C)c1ccc(NC(=O)N2CC3CC2(C)C3)c(C(=O)[O-])c1 ZINC001591965377 976557232 /nfs/dbraw/zinc/55/72/32/976557232.db2.gz JYJFAAGELHIESN-UHFFFAOYSA-N -1 0 302.374 3.524 20 0 DHADRM CC(C)c1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591966245 976562436 /nfs/dbraw/zinc/56/24/36/976562436.db2.gz YDDXBUAWRVWMCR-MRXNPFEDSA-N -1 0 318.417 3.965 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cc[nH]c2C2CC2)c(C(=O)[O-])c1 ZINC001591967533 976564670 /nfs/dbraw/zinc/56/46/70/976564670.db2.gz FDHBNJUMRBDWTH-UHFFFAOYSA-N -1 0 312.369 3.966 20 0 DHADRM CC(C)c1ccc(NC(=O)c2ncc(Cl)s2)c(C(=O)[O-])c1 ZINC001591968934 976567646 /nfs/dbraw/zinc/56/76/46/976567646.db2.gz UUCYOSLNTFNBQC-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1ccc2occ(C(=O)Nc3ccc(C(=O)[O-])nc3)c2c1 ZINC001591980260 976593585 /nfs/dbraw/zinc/59/35/85/976593585.db2.gz FGVPDBKJSVRMBT-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM CC(C)c1cccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001591986360 976606862 /nfs/dbraw/zinc/60/68/62/976606862.db2.gz CQZGSAHYKWOMNE-UHFFFAOYSA-N -1 0 315.344 3.577 20 0 DHADRM CC(C)c1nc2ccc(Nc3ncc(C(=O)[O-])cn3)cc2s1 ZINC001592031875 976742583 /nfs/dbraw/zinc/74/25/83/976742583.db2.gz IWXYYEDNJSJGQP-UHFFFAOYSA-N -1 0 314.370 3.652 20 0 DHADRM CC(C)c1nccn1Cc1cc(Br)ccc1C(=O)[O-] ZINC001592038886 976759953 /nfs/dbraw/zinc/75/99/53/976759953.db2.gz CQOCIRSIVQNRNG-UHFFFAOYSA-N -1 0 323.190 3.516 20 0 DHADRM CC(C)c1nnc(CSC[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC001592060978 976810980 /nfs/dbraw/zinc/81/09/80/976810980.db2.gz IGOLLSQULMCDTA-WDEREUQCSA-N -1 0 314.476 3.786 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000320056087 1014355659 /nfs/dbraw/zinc/35/56/59/1014355659.db2.gz MASRTABXDCENMN-OHJCXFAUSA-N -1 0 311.312 3.575 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)nc1C(=O)[O-] ZINC001592111672 976902582 /nfs/dbraw/zinc/90/25/82/976902582.db2.gz JTPVWJUSPRETAG-GHMZBOCLSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2CC3CCC2CC3)nc1C(=O)[O-] ZINC001592111774 976903927 /nfs/dbraw/zinc/90/39/27/976903927.db2.gz OZWUEWLRGONFQO-ILDUYXDCSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC001592112214 976906152 /nfs/dbraw/zinc/90/61/52/976906152.db2.gz YKZZGKHHRYODQI-VHSXEESVSA-N -1 0 310.419 3.730 20 0 DHADRM Cc1sc(CC(=O)Nc2c(O)cccc2F)nc1C(C)C ZINC000684058082 1014358006 /nfs/dbraw/zinc/35/80/06/1014358006.db2.gz TVSQFBCDGUSFKK-UHFFFAOYSA-N -1 0 308.378 3.601 20 0 DHADRM CC(C)n1ncnc1CSc1cc(Cl)ccc1C(=O)[O-] ZINC001592171472 977072865 /nfs/dbraw/zinc/07/28/65/977072865.db2.gz GZEXNWHHWQVXSZ-UHFFFAOYSA-N -1 0 311.794 3.503 20 0 DHADRM C[C@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)CC(C)(C)C ZINC001592236193 977443446 /nfs/dbraw/zinc/44/34/46/977443446.db2.gz LYCJGCZLQYVGHS-GFCCVEGCSA-N -1 0 318.417 3.521 20 0 DHADRM C[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)CC(C)(C)C ZINC001592254368 977489525 /nfs/dbraw/zinc/48/95/25/977489525.db2.gz HAQJHKKNYVYHIS-DOMZBBRYSA-N -1 0 323.408 3.573 20 0 DHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)CC(C)(C)C ZINC001592262467 977508526 /nfs/dbraw/zinc/50/85/26/977508526.db2.gz VDZRLTKFCRHJOO-SECBINFHSA-N -1 0 312.797 3.834 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001592370449 977884206 /nfs/dbraw/zinc/88/42/06/977884206.db2.gz JMFLNTGKXJOIJY-HIFRSBDPSA-N -1 0 317.429 3.739 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001592370715 977887307 /nfs/dbraw/zinc/88/73/07/977887307.db2.gz KVGNBMUETCVYRZ-HOCLYGCPSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001592381210 977918233 /nfs/dbraw/zinc/91/82/33/977918233.db2.gz DCLBGKBPBYSPSD-PBHICJAKSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001592385411 977928321 /nfs/dbraw/zinc/92/83/21/977928321.db2.gz STHMBTPDFWUEIG-BHYGNILZSA-N -1 0 317.429 3.578 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC001592395356 977952578 /nfs/dbraw/zinc/95/25/78/977952578.db2.gz VXEMUVXOHQATOF-CYBMUJFWSA-N -1 0 312.369 3.870 20 0 DHADRM C[C@@H](OC(=O)C[C@@H](C)CC(=O)[O-])c1cccc(Cl)c1F ZINC001592396568 977959528 /nfs/dbraw/zinc/95/95/28/977959528.db2.gz WTVBGTJIQGEYIC-DTWKUNHWSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)sc1Cl ZINC001592400791 977965730 /nfs/dbraw/zinc/96/57/30/977965730.db2.gz GKHMSJOKJOAMBE-LURJTMIESA-N -1 0 311.186 3.599 20 0 DHADRM C[C@@H](CC(=O)[O-])Cc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC001592405641 977975874 /nfs/dbraw/zinc/97/58/74/977975874.db2.gz BDNKSVVPLJNXON-VHSXEESVSA-N -1 0 320.414 3.576 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nnc(-c2cc3c(s2)CCCCC3)o1 ZINC001592424899 978048952 /nfs/dbraw/zinc/04/89/52/978048952.db2.gz ZILXGGSKAHEOSS-VIFPVBQESA-N -1 0 306.387 3.645 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC001592430215 978061711 /nfs/dbraw/zinc/06/17/11/978061711.db2.gz WFXGWVCOGIUSNC-KCPJHIHWSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC001592430267 978061851 /nfs/dbraw/zinc/06/18/51/978061851.db2.gz XEIBABNPLJYNCL-UXIGCNINSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](CC(=O)O[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC001592430214 978061911 /nfs/dbraw/zinc/06/19/11/978061911.db2.gz WFXGWVCOGIUSNC-DFBGVHRSSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001592439287 978088995 /nfs/dbraw/zinc/08/89/95/978088995.db2.gz FEMIDLMJHNHZEE-KBMXLJTQSA-N -1 0 317.429 3.876 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592465682 978207480 /nfs/dbraw/zinc/20/74/80/978207480.db2.gz JHXFDJCSYKBQOW-LLVKDONJSA-N -1 0 308.349 3.575 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001592465780 978208463 /nfs/dbraw/zinc/20/84/63/978208463.db2.gz MNVDRMMBVJQCGA-VIFPVBQESA-N -1 0 311.328 3.818 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001592465743 978208662 /nfs/dbraw/zinc/20/86/62/978208662.db2.gz LMBUXVJRNSWSSW-RHSMWYFYSA-N -1 0 317.429 3.877 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001592465944 978210572 /nfs/dbraw/zinc/21/05/72/978210572.db2.gz PWLYCMBYGGOHHZ-NSHDSACASA-N -1 0 324.446 3.705 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001592477430 978242968 /nfs/dbraw/zinc/24/29/68/978242968.db2.gz ITUVGWKGWDVFPA-LBPRGKRZSA-N -1 0 321.417 3.810 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C(=O)[O-] ZINC000389365595 1014471270 /nfs/dbraw/zinc/47/12/70/1014471270.db2.gz VVYXJHWKXFOGCS-LERXQTSPSA-N -1 0 303.402 3.556 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736986423 978371483 /nfs/dbraw/zinc/37/14/83/978371483.db2.gz WQVQNYUQKGOTMJ-GDBMZVCRSA-N -1 0 318.417 3.794 20 0 DHADRM C[C@H](CCc1n[nH]c2ccccc21)Nc1cccc(C(=O)[O-])c1 ZINC001592552410 978439832 /nfs/dbraw/zinc/43/98/32/978439832.db2.gz YXAQZFJSZIEMTO-GFCCVEGCSA-N -1 0 309.369 3.694 20 0 DHADRM C[C@H](CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1CC1)C(=O)[O-] ZINC001592557392 978445249 /nfs/dbraw/zinc/44/52/49/978445249.db2.gz BVMCREITSRJNOJ-GFCCVEGCSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H](CN(C)C(=O)c1ccccc1C(=O)[O-])C1CCCCC1 ZINC001592579361 978488106 /nfs/dbraw/zinc/48/81/06/978488106.db2.gz DMJFONCTPZVUOQ-CYBMUJFWSA-N -1 0 303.402 3.673 20 0 DHADRM C[C@H](CN(Cc1cc(Cl)sc1Cl)C1CC1)C(=O)[O-] ZINC001592598422 978531364 /nfs/dbraw/zinc/53/13/64/978531364.db2.gz FFDUEDUMKAFKGQ-SSDOTTSWSA-N -1 0 308.230 3.740 20 0 DHADRM CCCC[C@H](NC(=O)/C=C(\CC)c1ccc(C)cc1)C(=O)[O-] ZINC000753907053 978694364 /nfs/dbraw/zinc/69/43/64/978694364.db2.gz MYFBKIXOSDVWHW-GRNBYLDVSA-N -1 0 303.402 3.548 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@H](CC(=O)[O-])C2CC2)CC1 ZINC000761640320 978712536 /nfs/dbraw/zinc/71/25/36/978712536.db2.gz CGRBCTZRKBWWEU-PESDSKBTSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000761661438 978713640 /nfs/dbraw/zinc/71/36/40/978713640.db2.gz AMBWKJAGOSQNOR-CYBMUJFWSA-N -1 0 319.307 3.795 20 0 DHADRM CC(C)CCCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000767042148 978732225 /nfs/dbraw/zinc/73/22/25/978732225.db2.gz WRMWXYKTDCWVQV-GOSISDBHSA-N -1 0 317.429 3.804 20 0 DHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000767204765 978736460 /nfs/dbraw/zinc/73/64/60/978736460.db2.gz BITXDMQQXVYHIT-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000767201884 978736465 /nfs/dbraw/zinc/73/64/65/978736465.db2.gz VODBLZPPTZBURY-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(C)/C=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673756 978768726 /nfs/dbraw/zinc/76/87/26/978768726.db2.gz AZOHDPLFEPNBSR-MEJMFZKBSA-N -1 0 309.793 3.574 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C1CCCCCC1)c1cccc(Cl)c1 ZINC000776674518 978768828 /nfs/dbraw/zinc/76/88/28/978768828.db2.gz UDRVTZTUZTYBES-HNNXBMFYSA-N -1 0 323.820 3.942 20 0 DHADRM CCC(CC)(NC(=O)/C(C)=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000808519871 978852695 /nfs/dbraw/zinc/85/26/95/978852695.db2.gz GPKHGSCDZDIYFJ-LUAWRHEFSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c(F)c1 ZINC000811812553 978855779 /nfs/dbraw/zinc/85/57/79/978855779.db2.gz SHYKBYOPYMXWSJ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813920 978856636 /nfs/dbraw/zinc/85/66/36/978856636.db2.gz MHGGZLQMTDYBMO-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)CC(C)(C)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821602 978865750 /nfs/dbraw/zinc/86/57/50/978865750.db2.gz KNCZCRBOCCNLRP-UHFFFAOYSA-N -1 0 311.809 3.840 20 0 DHADRM CC1CCC(=CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC000817868509 978904254 /nfs/dbraw/zinc/90/42/54/978904254.db2.gz IUTJMYNWNVEHTG-UHFFFAOYSA-N -1 0 305.349 3.528 20 0 DHADRM CC(=O)[C@@H](C)SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000825813722 978941787 /nfs/dbraw/zinc/94/17/87/978941787.db2.gz PXXCFYGEMQBIKT-SNVBAGLBSA-N -1 0 321.423 3.719 20 0 DHADRM CC(C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])=C1CCCC1 ZINC000825978140 978943329 /nfs/dbraw/zinc/94/33/29/978943329.db2.gz YGEFIDCNSILQEI-CQSZACIVSA-N -1 0 315.413 3.626 20 0 DHADRM C[C@H](C1CC1)N(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CC1 ZINC000827213248 978954129 /nfs/dbraw/zinc/95/41/29/978954129.db2.gz MDMJBPOMVGTUHU-SECBINFHSA-N -1 0 322.792 3.833 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2ccccn2c1 ZINC000160760043 1014545251 /nfs/dbraw/zinc/54/52/51/1014545251.db2.gz UNGSPOWBEHCBHJ-UHFFFAOYSA-N -1 0 309.350 3.622 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000833152789 979097703 /nfs/dbraw/zinc/09/77/03/979097703.db2.gz YBASEIHCWQVXOE-NTZNESFSSA-N -1 0 320.364 3.614 20 0 DHADRM CC[C@@H](C)n1nc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001595022729 979109229 /nfs/dbraw/zinc/10/92/29/979109229.db2.gz DDWOUDPDAWCZQL-MEBBXXQBSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595033052 979172207 /nfs/dbraw/zinc/17/22/07/979172207.db2.gz BLVKLJKBHMPMNM-BEFAXECRSA-N -1 0 319.445 3.608 20 0 DHADRM CC[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccc(C)cc1 ZINC001595033121 979173036 /nfs/dbraw/zinc/17/30/36/979173036.db2.gz DWQXOZGSJSLDSZ-HLLBOEOZSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001595033477 979176730 /nfs/dbraw/zinc/17/67/30/979176730.db2.gz KZCXBSWOIAMQLA-CQSZACIVSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001595033707 979177823 /nfs/dbraw/zinc/17/78/23/979177823.db2.gz QIAXMPUWHVKMHV-ZDUSSCGKSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C(C)(C)C ZINC001595033657 979177892 /nfs/dbraw/zinc/17/78/92/979177892.db2.gz OVGUIFPJDMZWRS-GJZGRUSLSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001595034028 979180136 /nfs/dbraw/zinc/18/01/36/979180136.db2.gz XJLUWACYMJGFTL-DZGCQCFKSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)C(C)(C)C ZINC001595035763 979187500 /nfs/dbraw/zinc/18/75/00/979187500.db2.gz KDIRAFWBZGYUML-LBPRGKRZSA-N -1 0 321.417 3.819 20 0 DHADRM CC[C@H](CC(=O)OC1CC(CC(=O)[O-])C1)c1ccc(C)cc1 ZINC001595037079 979202858 /nfs/dbraw/zinc/20/28/58/979202858.db2.gz OISCSVWDKMQNLA-NPCAHTBFSA-N -1 0 304.386 3.675 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000263498835 1014556942 /nfs/dbraw/zinc/55/69/42/1014556942.db2.gz KHXKLEDHRKSJOZ-MWLCHTKSSA-N -1 0 302.201 3.679 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595039250 979213637 /nfs/dbraw/zinc/21/36/37/979213637.db2.gz PGGCDKWKIHMHCF-HSOILSAZSA-N -1 0 310.312 3.542 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595041673 979227440 /nfs/dbraw/zinc/22/74/40/979227440.db2.gz CJWFBWHDNBAVLV-IUCAKERBSA-N -1 0 304.289 3.572 20 0 DHADRM CC[C@H](CC(F)F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595042324 979233574 /nfs/dbraw/zinc/23/35/74/979233574.db2.gz KBGQDSKRCZWUJM-PRHODGIISA-N -1 0 320.719 3.690 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(C(C)C)c1 ZINC001595049822 979276509 /nfs/dbraw/zinc/27/65/09/979276509.db2.gz GVEGLWBXERBXBD-UHFFFAOYSA-N -1 0 306.406 3.965 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(Cl)c1F ZINC001595050622 979279652 /nfs/dbraw/zinc/27/96/52/979279652.db2.gz UUWSESSSJKXVCF-UHFFFAOYSA-N -1 0 316.760 3.634 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1 ZINC000840944553 979283528 /nfs/dbraw/zinc/28/35/28/979283528.db2.gz CPVKEDOCXWGWOS-UONOGXRCSA-N -1 0 311.381 3.692 20 0 DHADRM CCC(CC)(CCOC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595059614 979308369 /nfs/dbraw/zinc/30/83/69/979308369.db2.gz HTGJBTFSCDLLMZ-MNOVXSKESA-N -1 0 324.339 3.789 20 0 DHADRM CCC(CC)(CCOC(=O)c1nc(Cl)sc1C)C(=O)[O-] ZINC001595059978 979312920 /nfs/dbraw/zinc/31/29/20/979312920.db2.gz YAZPOGYVACGGDU-UHFFFAOYSA-N -1 0 319.810 3.543 20 0 DHADRM CCC(CC)(CNC(=O)Nc1ccc(C2CC2)c(C)c1)C(=O)[O-] ZINC001595071157 979339189 /nfs/dbraw/zinc/33/91/89/979339189.db2.gz AAFPWPANXGZSFR-UHFFFAOYSA-N -1 0 318.417 3.885 20 0 DHADRM CCC(CC)(CNc1nc(-c2cccc(C)c2)ns1)C(=O)[O-] ZINC001595084651 979376041 /nfs/dbraw/zinc/37/60/41/979376041.db2.gz RWNSPOOYUULIDT-UHFFFAOYSA-N -1 0 319.430 3.816 20 0 DHADRM C[C@](COC(=O)c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001592771954 979390360 /nfs/dbraw/zinc/39/03/60/979390360.db2.gz KKNSDOCIQNPJQS-OAHLLOKOSA-N -1 0 324.785 3.601 20 0 DHADRM O=C([O-])CCCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000844250808 979393620 /nfs/dbraw/zinc/39/36/20/979393620.db2.gz ZSKLWNOMUAGNRW-KRWDZBQOSA-N -1 0 311.381 3.758 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/C2CCCCCC2)c1 ZINC000846118833 979406924 /nfs/dbraw/zinc/40/69/24/979406924.db2.gz ZTCJXATVODFMCT-ZHACJKMWSA-N -1 0 301.386 3.779 20 0 DHADRM Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000846236130 979417146 /nfs/dbraw/zinc/41/71/46/979417146.db2.gz OCMNVNKRHHDOLM-OAHLLOKOSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1cc([C@@H]2CCCN2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236349 979417375 /nfs/dbraw/zinc/41/73/75/979417375.db2.gz RFJCBTKTCQSSJC-HNNXBMFYSA-N -1 0 320.776 3.672 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595107075 979437112 /nfs/dbraw/zinc/43/71/12/979437112.db2.gz YOTAHPWTPGMOIH-NSHDSACASA-N -1 0 324.446 3.659 20 0 DHADRM CCC(CC)N(C(=O)Nc1cccc(C(=O)[O-])c1OC)C1CC1 ZINC001595114382 979463779 /nfs/dbraw/zinc/46/37/79/979463779.db2.gz HRXXENVHXDDGLV-UHFFFAOYSA-N -1 0 320.389 3.578 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593057 979501983 /nfs/dbraw/zinc/50/19/83/979501983.db2.gz KWUDMFKBHHDING-SOFGYWHQSA-N -1 0 321.417 3.912 20 0 DHADRM CCC(CC)n1ccc(CS[C@@H](C)c2nc(C(=O)[O-])co2)n1 ZINC001595124563 979505595 /nfs/dbraw/zinc/50/55/95/979505595.db2.gz ORBSSFGAYSPLRI-JTQLQIEISA-N -1 0 323.418 3.925 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595125571 979508404 /nfs/dbraw/zinc/50/84/04/979508404.db2.gz AKROBKJPQNAXKK-GPMSIDNRSA-N -1 0 321.461 3.696 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595125738 979509993 /nfs/dbraw/zinc/50/99/93/979509993.db2.gz HMWCLDBQRCVPRV-CYBMUJFWSA-N -1 0 304.390 3.715 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000851603245 979525527 /nfs/dbraw/zinc/52/55/27/979525527.db2.gz MILWUYVRTAXSKF-UHFFFAOYSA-N -1 0 301.342 3.686 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851623873 979560307 /nfs/dbraw/zinc/56/03/07/979560307.db2.gz LFSCUUSBVDRUJS-LUAWRHEFSA-N -1 0 307.390 3.666 20 0 DHADRM CC[C@@](CNC(=O)/C(C)=C\C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135300 979573914 /nfs/dbraw/zinc/57/39/14/979573914.db2.gz OFMKTXFQIZOCLL-IFMUVIIVSA-N -1 0 317.429 3.528 20 0 DHADRM CC[C@@H](CNC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595139385 979591932 /nfs/dbraw/zinc/59/19/32/979591932.db2.gz LJBLQOGGZURSGC-RQMAVPSVSA-N -1 0 323.477 3.846 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000864108351 979698063 /nfs/dbraw/zinc/69/80/63/979698063.db2.gz VVXFPFZJLUXSIF-CMDGGOBGSA-N -1 0 317.385 3.562 20 0 DHADRM CSCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000864112705 979704396 /nfs/dbraw/zinc/70/43/96/979704396.db2.gz JRZOXAIJVDAFRC-UHFFFAOYSA-N -1 0 309.431 3.945 20 0 DHADRM CCOCCCCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000864122401 979719341 /nfs/dbraw/zinc/71/93/41/979719341.db2.gz QMFFVLIIRJKZNY-UHFFFAOYSA-N -1 0 321.417 3.584 20 0 DHADRM O=C([O-])CCC(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000581170362 1014600245 /nfs/dbraw/zinc/60/02/45/1014600245.db2.gz JRJIPAPOZROXGY-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM C[C@H](Cc1cccc(F)c1)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592885452 979770170 /nfs/dbraw/zinc/77/01/70/979770170.db2.gz NUTSOBWOCBQHGC-CYBMUJFWSA-N -1 0 301.361 3.886 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864165110 979787731 /nfs/dbraw/zinc/78/77/31/979787731.db2.gz AQHWOJRZWFQYLJ-LIMHQNJXSA-N -1 0 313.397 3.503 20 0 DHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)cc1 ZINC000864177284 979821290 /nfs/dbraw/zinc/82/12/90/979821290.db2.gz LOKJMUMYGQKPIF-QGZVFWFLSA-N -1 0 323.392 3.631 20 0 DHADRM C[C@@H](Cc1ccno1)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592901965 979825310 /nfs/dbraw/zinc/82/53/10/979825310.db2.gz CHMJSZJSOZZDBE-VIFPVBQESA-N -1 0 302.355 3.631 20 0 DHADRM O=C([O-])c1coc(CNC(=O)c2cccc(C3CCCC3)c2)c1 ZINC000864194341 979852773 /nfs/dbraw/zinc/85/27/73/979852773.db2.gz CTBZMSDNFBGCFT-UHFFFAOYSA-N -1 0 313.353 3.565 20 0 DHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCCCc1cccs1)C1CC1 ZINC000864199862 979874962 /nfs/dbraw/zinc/87/49/62/979874962.db2.gz MSCAIXOZXMDSFJ-KRWDZBQOSA-N -1 0 323.458 3.611 20 0 DHADRM C/C(Cl)=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001592918262 979903210 /nfs/dbraw/zinc/90/32/10/979903210.db2.gz HGQHDNQWWIBWPX-CFRMROPGSA-N -1 0 323.820 3.759 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)c1 ZINC000864232982 979930702 /nfs/dbraw/zinc/93/07/02/979930702.db2.gz SWQWOVBRSJROFQ-GOSISDBHSA-N -1 0 323.392 3.818 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC[C@H]2CCOc3ccccc32)cc1 ZINC000864523406 979942863 /nfs/dbraw/zinc/94/28/63/979942863.db2.gz RPOLXRGKYNUYKW-FHLIZLRMSA-N -1 0 323.392 3.853 20 0 DHADRM O=C(Nc1nnc(C2CC2)s1)c1scnc1C1CCCC1 ZINC000520897863 1014613778 /nfs/dbraw/zinc/61/37/78/1014613778.db2.gz OECJBUPCNWELFN-UHFFFAOYSA-N -1 0 320.443 3.782 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000871652469 979962424 /nfs/dbraw/zinc/96/24/24/979962424.db2.gz SNLSGMFPTXBGSM-JOCQHMNTSA-N -1 0 318.417 3.918 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595210656 979984905 /nfs/dbraw/zinc/98/49/05/979984905.db2.gz ILSPHDCWPDIDAZ-CVEARBPZSA-N -1 0 319.445 3.569 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595210658 979985206 /nfs/dbraw/zinc/98/52/06/979985206.db2.gz ILSPHDCWPDIDAZ-HZPDHXFCSA-N -1 0 319.445 3.569 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595210898 979985891 /nfs/dbraw/zinc/98/58/91/979985891.db2.gz LDLOQYSHWSBXLO-ZDUSSCGKSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595211368 979991814 /nfs/dbraw/zinc/99/18/14/979991814.db2.gz SZNZCVKZBNUIPK-HOTGVXAUSA-N -1 0 319.445 3.569 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595211367 979992093 /nfs/dbraw/zinc/99/20/93/979992093.db2.gz SZNZCVKZBNUIPK-CVEARBPZSA-N -1 0 319.445 3.569 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC001595212455 979999936 /nfs/dbraw/zinc/99/99/36/979999936.db2.gz ZREZQTYCGHHVFK-CYBMUJFWSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC001595217248 980023101 /nfs/dbraw/zinc/02/31/01/980023101.db2.gz VWCOOPDETJULSQ-LBPRGKRZSA-N -1 0 318.373 3.572 20 0 DHADRM CC[C@](NC(=O)C(C)=C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232733 980125514 /nfs/dbraw/zinc/12/55/14/980125514.db2.gz GPNGYDGGTVPIPZ-MRXNPFEDSA-N -1 0 309.793 3.502 20 0 DHADRM CCN(CC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000901425305 980270704 /nfs/dbraw/zinc/27/07/04/980270704.db2.gz XHWXUHCTDJEZAL-UHFFFAOYSA-N -1 0 301.839 3.747 20 0 DHADRM CC[C@H](N[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278738 980313709 /nfs/dbraw/zinc/31/37/09/980313709.db2.gz IFZWJHQGEBJLFV-MNOVXSKESA-N -1 0 308.403 3.853 20 0 DHADRM CCOC1CCC(Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000901511843 980329191 /nfs/dbraw/zinc/32/91/91/980329191.db2.gz CXHKHFUXWGODQL-UHFFFAOYSA-N -1 0 305.418 3.808 20 0 DHADRM CC(C)(C)[C@H]1C[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000901539000 980366102 /nfs/dbraw/zinc/36/61/02/980366102.db2.gz GCGGWOGQRPAUCV-BLLLJJGKSA-N -1 0 316.401 3.872 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H](C)c1ccccn1 ZINC000901606309 980402585 /nfs/dbraw/zinc/40/25/85/980402585.db2.gz ALUPDHHGXTXZKQ-LBPRGKRZSA-N -1 0 300.358 3.740 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cncn1C(C)C ZINC000901606872 980402810 /nfs/dbraw/zinc/40/28/10/980402810.db2.gz HGCNOWLNGXKQSX-UHFFFAOYSA-N -1 0 317.389 3.562 20 0 DHADRM CCCCC[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000901725028 980466907 /nfs/dbraw/zinc/46/69/07/980466907.db2.gz DLSDHDUDVYXNJP-CYBMUJFWSA-N -1 0 324.471 3.995 20 0 DHADRM C[C@H](Cc1ccc(NCc2ccncc2Cl)cc1)C(=O)[O-] ZINC000901731069 980469116 /nfs/dbraw/zinc/46/91/16/980469116.db2.gz CZHIDUBBEZRSOB-LLVKDONJSA-N -1 0 304.777 3.610 20 0 DHADRM CC[C@@H](Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595323283 980521645 /nfs/dbraw/zinc/52/16/45/980521645.db2.gz SGZLNSGWGJIKOB-CYBMUJFWSA-N -1 0 323.343 3.544 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cnc(C3CC3)s2)c1 ZINC000901816594 980537667 /nfs/dbraw/zinc/53/76/67/980537667.db2.gz WJYRQTHDZNAKNX-JTQLQIEISA-N -1 0 302.399 3.821 20 0 DHADRM Cc1ccc([C@@H](N[C@H](C)c2cc3cnccc3o2)C(=O)[O-])cc1C ZINC000901843052 980563434 /nfs/dbraw/zinc/56/34/34/980563434.db2.gz DCJUPEVDLBNBIH-FZKQIMNGSA-N -1 0 324.380 3.921 20 0 DHADRM CC[C@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001595332079 980577909 /nfs/dbraw/zinc/57/79/09/980577909.db2.gz RCTGVGDXPATNJX-PELKAZGASA-N -1 0 302.729 3.584 20 0 DHADRM CC[C@@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001595336966 980597423 /nfs/dbraw/zinc/59/74/23/980597423.db2.gz MMCLEEMNMXPVIW-WHLNPGIBSA-N -1 0 300.310 3.686 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1N1CCCC1 ZINC000902065584 980718003 /nfs/dbraw/zinc/71/80/03/980718003.db2.gz NBOJUDMMLWGIBV-CQSZACIVSA-N -1 0 304.434 3.978 20 0 DHADRM CC[C@H](SCc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595358944 980737113 /nfs/dbraw/zinc/73/71/13/980737113.db2.gz VMBCTUUROBVVON-ZDUSSCGKSA-N -1 0 310.415 3.738 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595359184 980738992 /nfs/dbraw/zinc/73/89/92/980738992.db2.gz QZDSWXFZZKWKLW-LBPRGKRZSA-N -1 0 321.423 3.956 20 0 DHADRM CC[C@H](Sc1nccn1-c1ccccc1C(C)C)C(=O)[O-] ZINC001595359327 980740254 /nfs/dbraw/zinc/74/02/54/980740254.db2.gz XHWUQKCAJJAQTL-AWEZNQCLSA-N -1 0 304.415 3.951 20 0 DHADRM CC(C)c1nc2cc(NCc3ccoc3C(=O)[O-])ccc2o1 ZINC000902124391 980746346 /nfs/dbraw/zinc/74/63/46/980746346.db2.gz CSJJECHDKRJBQA-UHFFFAOYSA-N -1 0 300.314 3.855 20 0 DHADRM CC[C@@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])C(C)C ZINC001595360421 980751919 /nfs/dbraw/zinc/75/19/19/980751919.db2.gz WMQIABUFOICKPD-HNNXBMFYSA-N -1 0 323.458 3.583 20 0 DHADRM CCCCN(Cc1cc(C(=O)[O-])c(CC)o1)CC(F)(F)F ZINC000902142476 980754488 /nfs/dbraw/zinc/75/44/88/980754488.db2.gz VQTJSIOTGZEHBR-UHFFFAOYSA-N -1 0 307.312 3.705 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CCCC1(C)C ZINC001595361395 980761738 /nfs/dbraw/zinc/76/17/38/980761738.db2.gz HHTAXDJOXHMLIW-HZPDHXFCSA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC12CCCC2 ZINC001595361603 980763620 /nfs/dbraw/zinc/76/36/20/980763620.db2.gz KFXPSXDYDCTNFW-CVEARBPZSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001595361938 980766745 /nfs/dbraw/zinc/76/67/45/980766745.db2.gz RWBBLEIBCANPBB-BZUAXINKSA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001595361986 980767288 /nfs/dbraw/zinc/76/72/88/980767288.db2.gz SUKMIPURFSHNFW-INIZCTEOSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ncc(Cl)s1 ZINC001595362375 980770762 /nfs/dbraw/zinc/77/07/62/980770762.db2.gz BXLRBQKLJULVTI-LBPRGKRZSA-N -1 0 324.833 3.834 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362943 980777092 /nfs/dbraw/zinc/77/70/92/980777092.db2.gz UGJKXGCUOOTNEZ-QGZVFWFLSA-N -1 0 315.417 3.502 20 0 DHADRM CC[C@H](c1ccccc1)N(CC)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595363699 980785704 /nfs/dbraw/zinc/78/57/04/980785704.db2.gz IZTARJWHBVDWQW-GVDBMIGSSA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1nnc([C@@H]2CC[C@H](C(=O)[O-])C2)o1)c1ccccc1 ZINC001595363855 980787641 /nfs/dbraw/zinc/78/76/41/980787641.db2.gz KNMYCVJYMMNNHA-HZSPNIEDSA-N -1 0 300.358 3.580 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNCc1ccccc1OC1CCC1 ZINC000902286917 980818313 /nfs/dbraw/zinc/81/83/13/980818313.db2.gz LIPONJNPDNQSIU-UHFFFAOYSA-N -1 0 315.369 3.507 20 0 DHADRM O=C([O-])/C=C/c1ccc(CNc2ccccc2OCC2CC2)o1 ZINC000902294136 980821376 /nfs/dbraw/zinc/82/13/76/980821376.db2.gz CGBBBUZYFJCNKM-MDZDMXLPSA-N -1 0 313.353 3.778 20 0 DHADRM O=C([O-])CC1CCC(NCC(F)(F)c2cccc(F)c2)CC1 ZINC000902421704 980879098 /nfs/dbraw/zinc/87/90/98/980879098.db2.gz ILALMOQPDACWCD-UHFFFAOYSA-N -1 0 315.335 3.541 20 0 DHADRM CC(C)(C)C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)C(F)(F)F ZINC000902430370 980883456 /nfs/dbraw/zinc/88/34/56/980883456.db2.gz CJVUGHDLYAHOKR-ZHRWSRJISA-N -1 0 319.323 3.834 20 0 DHADRM CCC1(CC)CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001595374632 980886371 /nfs/dbraw/zinc/88/63/71/980886371.db2.gz MFPNGVMGDAIQBR-UHFFFAOYSA-N -1 0 321.461 3.887 20 0 DHADRM CCC1(CC)CCC(NC(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001595374764 980888025 /nfs/dbraw/zinc/88/80/25/980888025.db2.gz UDZKBEHYBUJZDC-WAYWQWQTSA-N -1 0 319.401 3.856 20 0 DHADRM Cc1oc(CN2CC[C@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC000902453567 980894780 /nfs/dbraw/zinc/89/47/80/980894780.db2.gz SDJPGJICWDEYLY-GOSISDBHSA-N -1 0 317.360 3.665 20 0 DHADRM CSc1ccc(NCc2ccnn2CC(C)C)cc1C(=O)[O-] ZINC000902569711 980938169 /nfs/dbraw/zinc/93/81/69/980938169.db2.gz KSBVGRGWUIUCSP-UHFFFAOYSA-N -1 0 319.430 3.571 20 0 DHADRM O=C([O-])[C@@H]1CC(F)(F)CN1Cc1ccc(C2CCCC2)cc1 ZINC000903614018 980993371 /nfs/dbraw/zinc/99/33/71/980993371.db2.gz ITXLTAAQKDBFOZ-HNNXBMFYSA-N -1 0 309.356 3.638 20 0 DHADRM CCC1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001595416818 981033804 /nfs/dbraw/zinc/03/38/04/981033804.db2.gz ZTUUVZKKHNHZRN-UHFFFAOYSA-N -1 0 324.465 3.537 20 0 DHADRM CCC1CCC(NC(=O)CCC[Si](C)(C)C)(C(=O)[O-])CC1 ZINC001595420861 981039006 /nfs/dbraw/zinc/03/90/06/981039006.db2.gz NCCVNBWZUCGXDV-UHFFFAOYSA-N -1 0 313.514 3.645 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001595435001 981061488 /nfs/dbraw/zinc/06/14/88/981061488.db2.gz DQRQSUUTRFAMLB-CJNGLKHVSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595435107 981062503 /nfs/dbraw/zinc/06/25/03/981062503.db2.gz GIOFTDJSEZWHRY-PIGZYNQJSA-N -1 0 307.365 3.987 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595435248 981063764 /nfs/dbraw/zinc/06/37/64/981063764.db2.gz IOANXJCGQSBOJR-ACJLOTCBSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595436112 981068066 /nfs/dbraw/zinc/06/80/66/981068066.db2.gz PAVHGJGNFFGKMO-HIFRSBDPSA-N -1 0 315.413 3.799 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595441624 981080604 /nfs/dbraw/zinc/08/06/04/981080604.db2.gz SSAKVWGVMHVCKX-MNOVXSKESA-N -1 0 310.419 3.784 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2nccc3c2CCCC3)cc1 ZINC000904026127 981081509 /nfs/dbraw/zinc/08/15/09/981081509.db2.gz BFTIBVDXLHFARS-ZWKOTPCHSA-N -1 0 322.408 3.761 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001595443862 981083877 /nfs/dbraw/zinc/08/38/77/981083877.db2.gz CYCAEPHAEWXBMM-IAQYHMDHSA-N -1 0 322.380 3.956 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC=CCCC2)cc1F ZINC000905005624 981085828 /nfs/dbraw/zinc/08/58/28/981085828.db2.gz FVNAWJVTQMBFFS-LBPRGKRZSA-N -1 0 305.349 3.528 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC=CCCC2)cc1F ZINC000905005620 981085876 /nfs/dbraw/zinc/08/58/76/981085876.db2.gz FVNAWJVTQMBFFS-GFCCVEGCSA-N -1 0 305.349 3.528 20 0 DHADRM CC[C@H](CC(=O)OCc1noc(-c2ccccc2O)n1)C(C)C ZINC000783505250 1014705342 /nfs/dbraw/zinc/70/53/42/1014705342.db2.gz YPNFLSJPMASHAT-GFCCVEGCSA-N -1 0 318.373 3.558 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001595453735 981120455 /nfs/dbraw/zinc/12/04/55/981120455.db2.gz VZDVDCLPMWIQFV-LLVKDONJSA-N -1 0 315.373 3.520 20 0 DHADRM C[C@@H](Cc1ccc(NC2CC3(C2)COC(C)(C)C3)cc1)C(=O)[O-] ZINC000905719198 981122600 /nfs/dbraw/zinc/12/26/00/981122600.db2.gz NKTWOCWKOZAXPH-ISWZSGDOSA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@H]1CCc2ccccc2N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001595468238 981160522 /nfs/dbraw/zinc/16/05/22/981160522.db2.gz QIZARZSTOFDMMG-JYJNAYRXSA-N -1 0 315.413 3.635 20 0 DHADRM CC[C@@H]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)[C@H]1C ZINC001595468565 981164282 /nfs/dbraw/zinc/16/42/82/981164282.db2.gz ZBPUWNVIGVKXEJ-GXSJLCMTSA-N -1 0 319.430 3.631 20 0 DHADRM Cc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C ZINC000907556128 981188158 /nfs/dbraw/zinc/18/81/58/981188158.db2.gz YQBUZVBACUDUSG-DNVCBOLYSA-N -1 0 309.365 3.500 20 0 DHADRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC001595486467 981227918 /nfs/dbraw/zinc/22/79/18/981227918.db2.gz CLVGOXWAIPAXPR-GFCCVEGCSA-N -1 0 303.383 3.624 20 0 DHADRM CC[C@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)c2ccccc2O1 ZINC001595486488 981229330 /nfs/dbraw/zinc/22/93/30/981229330.db2.gz CWUCGQCRUVIFDO-XPSMFNQNSA-N -1 0 313.353 3.555 20 0 DHADRM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595498999 981262657 /nfs/dbraw/zinc/26/26/57/981262657.db2.gz BFWWTFMZOKGKAP-KRWDZBQOSA-N -1 0 324.380 3.754 20 0 DHADRM CC[C@H]1c2ccccc2CCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595505146 981281661 /nfs/dbraw/zinc/28/16/61/981281661.db2.gz YOPWJNBTVPKBRR-FZMZJTMJSA-N -1 0 316.426 3.912 20 0 DHADRM Cc1cc(C)cc(C2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)c1 ZINC000908356176 981307626 /nfs/dbraw/zinc/30/76/26/981307626.db2.gz WEJCIDSCXZLMBM-HNNXBMFYSA-N -1 0 317.429 3.510 20 0 DHADRM COc1c(NC(=O)[C@H](C)CC2CCCC2)cccc1C(=O)[O-] ZINC000908506551 981320189 /nfs/dbraw/zinc/32/01/89/981320189.db2.gz HLNTXVGDLGIQBX-LLVKDONJSA-N -1 0 305.374 3.548 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4[nH]ccc4c3)(CC1)CC2 ZINC000908708350 981343873 /nfs/dbraw/zinc/34/38/73/981343873.db2.gz UBTHRQLMNLZNIS-UHFFFAOYSA-N -1 0 312.369 3.532 20 0 DHADRM CCCC(=CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)CCC ZINC001595522458 981344974 /nfs/dbraw/zinc/34/49/74/981344974.db2.gz QAONOFCZPCNYBQ-UHFFFAOYSA-N -1 0 321.373 3.564 20 0 DHADRM CCCC(=CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)CCC ZINC001595522506 981345051 /nfs/dbraw/zinc/34/50/51/981345051.db2.gz RHQHJNMFGSGOPA-UHFFFAOYSA-N -1 0 310.781 3.898 20 0 DHADRM Cc1cc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(C)s1 ZINC000908721470 981347732 /nfs/dbraw/zinc/34/77/32/981347732.db2.gz YCDKABXNBVUQJK-OSSATUEASA-N -1 0 321.442 3.577 20 0 DHADRM Cc1cc(C)cc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908750047 981353351 /nfs/dbraw/zinc/35/33/51/981353351.db2.gz BCVQTOVXWNDKNM-UHFFFAOYSA-N -1 0 315.413 3.691 20 0 DHADRM Cc1cc(C)cc(N(C)C(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908750060 981353578 /nfs/dbraw/zinc/35/35/78/981353578.db2.gz BPDLHHJGGUGAEH-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001595536627 981384373 /nfs/dbraw/zinc/38/43/73/981384373.db2.gz CPPQOSLNRIGNOT-CQSZACIVSA-N -1 0 313.353 3.613 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC001595537556 981387544 /nfs/dbraw/zinc/38/75/44/981387544.db2.gz MGIAAQZJWXFOFM-CZUORRHYSA-N -1 0 305.418 3.961 20 0 DHADRM CCCC(C)(C)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001595538219 981390988 /nfs/dbraw/zinc/39/09/88/981390988.db2.gz ICDPNMAAOVCPLJ-HNNXBMFYSA-N -1 0 305.418 3.925 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC)C(C)C ZINC001595538803 981394043 /nfs/dbraw/zinc/39/40/43/981394043.db2.gz WDTGQHXWIGTXGI-ZDUSSCGKSA-N -1 0 307.390 3.794 20 0 DHADRM CCC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)C(C)C ZINC001595539113 981396746 /nfs/dbraw/zinc/39/67/46/981396746.db2.gz XZCJVOHDFOTVHF-SNVBAGLBSA-N -1 0 312.435 3.976 20 0 DHADRM CCC[C@@](C)(CC)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595542639 981404290 /nfs/dbraw/zinc/40/42/90/981404290.db2.gz WVDAHWDVSSBVMX-RTBURBONSA-N -1 0 319.445 3.752 20 0 DHADRM CCC[C@@](C)(CC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595542681 981404385 /nfs/dbraw/zinc/40/43/85/981404385.db2.gz XHXZWEMDTRYAMA-JTDSTZFVSA-N -1 0 317.429 3.530 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000909159531 981429107 /nfs/dbraw/zinc/42/91/07/981429107.db2.gz MQJIRPWUQWBNGW-SCLBCKFNSA-N -1 0 319.401 3.613 20 0 DHADRM CCC[C@@](C)(NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001595553576 981430263 /nfs/dbraw/zinc/43/02/63/981430263.db2.gz JZJCWBMIXMDVMX-GOSISDBHSA-N -1 0 317.385 3.929 20 0 DHADRM CCC[C@](C)(NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001595553578 981430451 /nfs/dbraw/zinc/43/04/51/981430451.db2.gz JZJCWBMIXMDVMX-SFHVURJKSA-N -1 0 317.385 3.929 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2=CCCCCC2)cc1 ZINC000909288693 981460893 /nfs/dbraw/zinc/46/08/93/981460893.db2.gz VHWHTNGARDXIAR-UHFFFAOYSA-N -1 0 301.386 3.878 20 0 DHADRM CCC[C@@H](C)CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595574040 981490354 /nfs/dbraw/zinc/49/03/54/981490354.db2.gz OSOAPRGSHFPHQQ-SECBINFHSA-N -1 0 314.332 3.611 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595574840 981494057 /nfs/dbraw/zinc/49/40/57/981494057.db2.gz XZQVLBKANRWKAB-CABCVRRESA-N -1 0 324.465 3.632 20 0 DHADRM CC/C(C)=C(/C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000909474756 981503971 /nfs/dbraw/zinc/50/39/71/981503971.db2.gz IFLVKBHPEPQJFC-PFONDFGASA-N -1 0 303.402 3.626 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001595579223 981506325 /nfs/dbraw/zinc/50/63/25/981506325.db2.gz NBQJSEIIDZNXRS-NCOADZHNSA-N -1 0 323.477 3.941 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001595579224 981506329 /nfs/dbraw/zinc/50/63/29/981506329.db2.gz NBQJSEIIDZNXRS-QZWWFDLISA-N -1 0 323.477 3.941 20 0 DHADRM CCC[C@@H](C)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595580422 981517005 /nfs/dbraw/zinc/51/70/05/981517005.db2.gz GOFICCAVBDLBBL-SSDOTTSWSA-N -1 0 318.236 3.713 20 0 DHADRM CCCc1[nH]ccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909512443 981519608 /nfs/dbraw/zinc/51/96/08/981519608.db2.gz DTZHJMJFDYWWOO-UHFFFAOYSA-N -1 0 300.358 3.535 20 0 DHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512991 981520112 /nfs/dbraw/zinc/52/01/12/981520112.db2.gz LAUKQFGCNINRDG-ZIAGYGMSSA-N -1 0 319.401 3.535 20 0 DHADRM Cc1sccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909519386 981525474 /nfs/dbraw/zinc/52/54/74/981525474.db2.gz HYHLAIIBNWAJEC-JTQLQIEISA-N -1 0 303.383 3.572 20 0 DHADRM CCC[C@@H](CC)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595585719 981525797 /nfs/dbraw/zinc/52/57/97/981525797.db2.gz AQXVUFZFMIAYAQ-CYBMUJFWSA-N -1 0 303.402 3.799 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595585781 981526496 /nfs/dbraw/zinc/52/64/96/981526496.db2.gz CUPLKYVZRMTOGZ-CYBMUJFWSA-N -1 0 309.381 3.854 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595585838 981526537 /nfs/dbraw/zinc/52/65/37/981526537.db2.gz FSQBTPGACAJUML-FZMZJTMJSA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595585903 981527204 /nfs/dbraw/zinc/52/72/04/981527204.db2.gz IGCRUFNMKCJJQM-ZDUSSCGKSA-N -1 0 320.433 3.852 20 0 DHADRM CCC[C@H](CC)C(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595585971 981527957 /nfs/dbraw/zinc/52/79/57/981527957.db2.gz KDFQYEUJJAKSIC-HOCLYGCPSA-N -1 0 305.418 3.877 20 0 DHADRM CCCC(CCC)C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001595586850 981536725 /nfs/dbraw/zinc/53/67/25/981536725.db2.gz RUHKQFWHMWANDQ-SUMWQHHRSA-N -1 0 317.429 3.881 20 0 DHADRM CCCC(CCC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001595586955 981537387 /nfs/dbraw/zinc/53/73/87/981537387.db2.gz WNXKXRQFAMKNEJ-OWCLPIDISA-N -1 0 309.450 3.695 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001595587104 981538758 /nfs/dbraw/zinc/53/87/58/981538758.db2.gz AOSNONSOUHPAIO-JKSUJKDBSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001595587240 981539989 /nfs/dbraw/zinc/53/99/89/981539989.db2.gz GIQVORPOMKNICV-JKSUJKDBSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001595587238 981540027 /nfs/dbraw/zinc/54/00/27/981540027.db2.gz GIQVORPOMKNICV-HOTGVXAUSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC001595587539 981542265 /nfs/dbraw/zinc/54/22/65/981542265.db2.gz PVWJPSAIDRZQLP-CQSZACIVSA-N -1 0 321.417 3.981 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909725251 981580644 /nfs/dbraw/zinc/58/06/44/981580644.db2.gz XVUDRJGYUSLLDB-NLNFPOJYSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595600545 981580924 /nfs/dbraw/zinc/58/09/24/981580924.db2.gz LGSLRFIATHPQSV-KRWDZBQOSA-N -1 0 311.381 3.964 20 0 DHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1F ZINC000442836561 1014747552 /nfs/dbraw/zinc/74/75/52/1014747552.db2.gz OANOHDODNAHHPF-UHFFFAOYSA-N -1 0 323.320 3.820 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505888 1014752352 /nfs/dbraw/zinc/75/23/52/1014752352.db2.gz GTOJMEXLIYXAQP-MRXNPFEDSA-N -1 0 314.385 3.507 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909831778 981649755 /nfs/dbraw/zinc/64/97/55/981649755.db2.gz ALNZGCCUCDBEAJ-KGLIPLIRSA-N -1 0 311.381 3.925 20 0 DHADRM Cc1oc(C(C)C)nc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909832338 981649789 /nfs/dbraw/zinc/64/97/89/981649789.db2.gz RVXYYTYKWACBBR-SNVBAGLBSA-N -1 0 316.357 3.547 20 0 DHADRM CCCC1CCC(N(C)C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001595620562 981690876 /nfs/dbraw/zinc/69/08/76/981690876.db2.gz LWWAHBKZOLIYGF-BHDPWAOGSA-N -1 0 324.465 3.630 20 0 DHADRM CCCC1CCC(NC(=O)Nc2cc(C)c(C(=O)[O-])cn2)CC1 ZINC001595620959 981695199 /nfs/dbraw/zinc/69/51/99/981695199.db2.gz YMYQNODOCIVKHV-UHFFFAOYSA-N -1 0 319.405 3.569 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595621608 981701769 /nfs/dbraw/zinc/70/17/69/981701769.db2.gz LQQGDSCHVUIPJA-KOLCDFICSA-N -1 0 310.781 3.588 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595621968 981705162 /nfs/dbraw/zinc/70/51/62/981705162.db2.gz QTUAQXRVDUCUEW-JHNDHUHGSA-N -1 0 317.429 3.781 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001595622197 981707247 /nfs/dbraw/zinc/70/72/47/981707247.db2.gz SBEFQCRQAAVKIJ-OLZOCXBDSA-N -1 0 307.390 3.623 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595622489 981711393 /nfs/dbraw/zinc/71/13/93/981711393.db2.gz UIHLXTGMRPIBHC-QWHCGFSZSA-N -1 0 308.349 3.575 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC001594768369 981730218 /nfs/dbraw/zinc/73/02/18/981730218.db2.gz XCKLQNXGWDDUDB-IIAWOOMASA-N -1 0 303.402 3.709 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cscc1Cl)c1ccccc1 ZINC001594771390 981747516 /nfs/dbraw/zinc/74/75/16/981747516.db2.gz VTBPEFVPDQYDSY-ZDUSSCGKSA-N -1 0 323.801 3.912 20 0 DHADRM CC[C@@H](C(=O)OCc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC001594774467 981752285 /nfs/dbraw/zinc/75/22/85/981752285.db2.gz FZHCAWODDVCODI-CQSZACIVSA-N -1 0 320.316 3.662 20 0 DHADRM CCCCC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595627844 981777622 /nfs/dbraw/zinc/77/76/22/981777622.db2.gz WLHSGKXMIDAQEY-UHFFFAOYSA-N -1 0 314.341 3.701 20 0 DHADRM CCCC[C@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001595628822 981791854 /nfs/dbraw/zinc/79/18/54/981791854.db2.gz NJTJWQMKLFHLNU-TZMCWYRMSA-N -1 0 324.490 3.733 20 0 DHADRM C[C@@H]1CCC[C@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910243647 981812479 /nfs/dbraw/zinc/81/24/79/981812479.db2.gz OKTATGBOHOGNPC-QAQJPARQSA-N -1 0 321.461 3.744 20 0 DHADRM CCCC[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)C(C)C ZINC001595630665 981824462 /nfs/dbraw/zinc/82/44/62/981824462.db2.gz NLTODEFUSZEZBU-ZDUSSCGKSA-N -1 0 310.365 3.821 20 0 DHADRM CCCC[C@@](C)(F)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595630667 981824843 /nfs/dbraw/zinc/82/48/43/981824843.db2.gz NLYCLELMJSMRDM-OAHLLOKOSA-N -1 0 318.291 3.625 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595631869 981845911 /nfs/dbraw/zinc/84/59/11/981845911.db2.gz HGCICAIHMRXHQW-GOEBONIOSA-N -1 0 305.418 3.762 20 0 DHADRM CCCC[C@@H](CC)CCCN(C)c1nc(C)cc(C(=O)[O-])n1 ZINC001595632639 981858850 /nfs/dbraw/zinc/85/88/50/981858850.db2.gz LWBRDTUSOBXYQZ-CQSZACIVSA-N -1 0 307.438 3.916 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595632845 981860844 /nfs/dbraw/zinc/86/08/44/981860844.db2.gz SYVZWFRJQIPFGH-AWEZNQCLSA-N -1 0 305.418 3.650 20 0 DHADRM CCCC[C@H](CC)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595632943 981863092 /nfs/dbraw/zinc/86/30/92/981863092.db2.gz WXQHZPMBUUVARL-LBPRGKRZSA-N -1 0 307.390 3.944 20 0 DHADRM C[C@@H](CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C)(C)C ZINC000910385588 981909876 /nfs/dbraw/zinc/90/98/76/981909876.db2.gz QCLBZCPHBFOLJA-TZYSRNFLSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(C)(C)CC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594808253 981915785 /nfs/dbraw/zinc/91/57/85/981915785.db2.gz JXCLZXRIAJSZSG-UHFFFAOYSA-N -1 0 307.390 3.937 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001594814027 981936466 /nfs/dbraw/zinc/93/64/66/981936466.db2.gz DJDHVNVPVQYOMY-LJQANCHMSA-N -1 0 317.429 3.701 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000581407006 1014783907 /nfs/dbraw/zinc/78/39/07/1014783907.db2.gz RMPRHXYRFFWBQV-AWEZNQCLSA-N -1 0 306.406 3.704 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001594821205 981968625 /nfs/dbraw/zinc/96/86/25/981968625.db2.gz QNRNCMFYHYTDHR-LIRRHRJNSA-N -1 0 319.445 3.748 20 0 DHADRM CCC(C)(CC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594830626 982014116 /nfs/dbraw/zinc/01/41/16/982014116.db2.gz ZKJPISGJLAJFOI-UHFFFAOYSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC001595650942 982014657 /nfs/dbraw/zinc/01/46/57/982014657.db2.gz AAFVTRCCRXZCKZ-MFKMUULPSA-N -1 0 313.394 3.529 20 0 DHADRM CCCC[C@H](OC(=O)c1sc(C(C)(C)C)nc1C)C(=O)[O-] ZINC001595650978 982015772 /nfs/dbraw/zinc/01/57/72/982015772.db2.gz APNAHXRBGNZPQS-JTQLQIEISA-N -1 0 313.419 3.549 20 0 DHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc(F)c2[O-])cc1 ZINC000933252211 1014790353 /nfs/dbraw/zinc/79/03/53/1014790353.db2.gz SUMFRUIKDVTIDM-ZDUSSCGKSA-N -1 0 301.361 3.543 20 0 DHADRM CC(C)(CC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21)C(=O)[O-] ZINC000443028013 1014792004 /nfs/dbraw/zinc/79/20/04/1014792004.db2.gz DEAZZEBTZYZPKO-OAHLLOKOSA-N -1 0 317.429 3.707 20 0 DHADRM CCCC[C@H](SCc1cc2ccccc2oc1=O)C(=O)[O-] ZINC001595655254 982043705 /nfs/dbraw/zinc/04/37/05/982043705.db2.gz JATDTYZGFUIXJF-AWEZNQCLSA-N -1 0 306.383 3.670 20 0 DHADRM CCc1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1C(CC)CC ZINC000910657383 982044610 /nfs/dbraw/zinc/04/46/10/982044610.db2.gz XHJBBAQYMMLEDB-UHFFFAOYSA-N -1 0 323.437 3.636 20 0 DHADRM CCCCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC001595656571 982054274 /nfs/dbraw/zinc/05/42/74/982054274.db2.gz AAJUQPGCIOFLGN-OAHLLOKOSA-N -1 0 309.450 3.744 20 0 DHADRM CCCC[C@@H](SCc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC001595656828 982055701 /nfs/dbraw/zinc/05/57/01/982055701.db2.gz DFJZOPMZVLFKOM-LLVKDONJSA-N -1 0 307.337 3.977 20 0 DHADRM CCCCC1(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001595657707 982065419 /nfs/dbraw/zinc/06/54/19/982065419.db2.gz YVXXUKCMPCZHAQ-UHFFFAOYSA-N -1 0 312.316 3.507 20 0 DHADRM CCCC[C@H](SCc1noc(C2CCCCC2)n1)C(=O)[O-] ZINC001595657996 982068809 /nfs/dbraw/zinc/06/88/09/982068809.db2.gz YJOXEAQXYLCUFI-LBPRGKRZSA-N -1 0 312.435 3.994 20 0 DHADRM Cc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699914 982071100 /nfs/dbraw/zinc/07/11/00/982071100.db2.gz HYEFMMKRYIRGSW-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCCCCC(C)(C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001595662373 982079204 /nfs/dbraw/zinc/07/92/04/982079204.db2.gz BIMJMHRECPCETH-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CCC1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCCC1 ZINC000910734074 982096924 /nfs/dbraw/zinc/09/69/24/982096924.db2.gz NZZDPGSJAHARCZ-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595667062 982108997 /nfs/dbraw/zinc/10/89/97/982108997.db2.gz YTLGSFHGVGEYLZ-ZBFHGGJFSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595668551 982110263 /nfs/dbraw/zinc/11/02/63/982110263.db2.gz AYIVCNZOATWMBJ-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001595669994 982116196 /nfs/dbraw/zinc/11/61/96/982116196.db2.gz LMTHSZLZOOIERO-RHSMWYFYSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)C(C)(C)C ZINC001595672542 982134361 /nfs/dbraw/zinc/13/43/61/982134361.db2.gz LZNWRKPAEQRMPD-AWEZNQCLSA-N -1 0 323.437 3.840 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-] ZINC001595676504 982147158 /nfs/dbraw/zinc/14/71/58/982147158.db2.gz LIQRCQUIPGZAGM-CYBMUJFWSA-N -1 0 311.447 3.772 20 0 DHADRM CCCCC[C@H](Nc1nc(CC)nc2sccc21)C(=O)[O-] ZINC001595686742 982176077 /nfs/dbraw/zinc/17/60/77/982176077.db2.gz HRDNKEDMXQYUCN-NSHDSACASA-N -1 0 307.419 3.699 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC000910959503 982177542 /nfs/dbraw/zinc/17/75/42/982177542.db2.gz CYMGBBXMWAKAJX-UHFFFAOYSA-N -1 0 303.383 3.823 20 0 DHADRM CCCCCC[C@@](C)(CCC)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001595694918 982215225 /nfs/dbraw/zinc/21/52/25/982215225.db2.gz KYRLHMABJZQTCN-IAGOWNOFSA-N -1 0 315.429 3.788 20 0 DHADRM CCCCCC[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595694982 982216233 /nfs/dbraw/zinc/21/62/33/982216233.db2.gz MMIBPWHIYLDYPB-CZUORRHYSA-N -1 0 323.408 3.717 20 0 DHADRM CCCCCC[C@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595694984 982216329 /nfs/dbraw/zinc/21/63/29/982216329.db2.gz MMIBPWHIYLDYPB-XJKSGUPXSA-N -1 0 323.408 3.717 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001595695020 982216394 /nfs/dbraw/zinc/21/63/94/982216394.db2.gz NOBAYOFXLVGOIQ-CYBMUJFWSA-N -1 0 307.390 3.695 20 0 DHADRM CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595695208 982217815 /nfs/dbraw/zinc/21/78/15/982217815.db2.gz RPBLHXNHDHKVLQ-UHFFFAOYSA-N -1 0 318.417 3.894 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595695528 982218794 /nfs/dbraw/zinc/21/87/94/982218794.db2.gz WBSKQSGXXHVWFF-GFCCVEGCSA-N -1 0 309.381 3.998 20 0 DHADRM Cc1cc(NC(=O)c2cnc(C(C)C)s2)cc(C(=O)[O-])c1 ZINC000911069587 982223879 /nfs/dbraw/zinc/22/38/79/982223879.db2.gz CAJFQRVRORGVEC-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001594881165 982236367 /nfs/dbraw/zinc/23/63/67/982236367.db2.gz AVEKEHDZNZTVNS-RWMBFGLXSA-N -1 0 306.406 3.506 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001594881274 982237175 /nfs/dbraw/zinc/23/71/75/982237175.db2.gz OESLQZFXDCVAPB-WPRPVWTQSA-N -1 0 320.414 3.924 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001595697930 982246680 /nfs/dbraw/zinc/24/66/80/982246680.db2.gz NPAZFFDYJAHQBB-AWEZNQCLSA-N -1 0 320.433 3.848 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595698817 982254856 /nfs/dbraw/zinc/25/48/56/982254856.db2.gz VGQASOSZVXFKPS-CYBMUJFWSA-N -1 0 306.406 3.644 20 0 DHADRM CCCCCCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595712547 982308929 /nfs/dbraw/zinc/30/89/29/982308929.db2.gz XZXOHIRTFPOSKP-UHFFFAOYSA-N -1 0 324.446 3.706 20 0 DHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595716187 982319785 /nfs/dbraw/zinc/31/97/85/982319785.db2.gz QZCABSRDQWBNBX-LSDHHAIUSA-N -1 0 323.820 3.580 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC001595731761 982364177 /nfs/dbraw/zinc/36/41/77/982364177.db2.gz HQGUJNRSWCNKEG-TZMCWYRMSA-N -1 0 306.406 3.534 20 0 DHADRM CCCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccncc1 ZINC001595736045 982382194 /nfs/dbraw/zinc/38/21/94/982382194.db2.gz SVXRCEWBNMHAMS-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM O=C([O-])c1cc(NC(=O)C2CCC(F)(F)CC2)cc2[nH]ccc21 ZINC000911386227 982410217 /nfs/dbraw/zinc/41/02/17/982410217.db2.gz CRBIADSNHFSCBW-UHFFFAOYSA-N -1 0 322.311 3.630 20 0 DHADRM CCCCN(Cc1cc(C(=O)[O-])no1)[C@@H](C)c1ccc(C)o1 ZINC001595749324 982422724 /nfs/dbraw/zinc/42/27/24/982422724.db2.gz XOWAWDZWDVRXKU-LBPRGKRZSA-N -1 0 306.362 3.638 20 0 DHADRM Cc1ccc(Nc2ncccc2Br)cc1C(=O)[O-] ZINC000706982312 1014839766 /nfs/dbraw/zinc/83/97/66/1014839766.db2.gz OFIMROAFNCYAKW-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CC[C@@H](C)[C@H](OC)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001594928795 982543265 /nfs/dbraw/zinc/54/32/65/982543265.db2.gz MVCGPVOFJYOPJN-BZNIZROVSA-N -1 0 315.369 3.538 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595786376 982575441 /nfs/dbraw/zinc/57/54/41/982575441.db2.gz VEAGGEVXRGUJBS-VIFPVBQESA-N -1 0 301.433 3.615 20 0 DHADRM CC[C@H](C[C@@H](C)CC)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594934427 982579038 /nfs/dbraw/zinc/57/90/38/982579038.db2.gz IFUPBAQCJGWRLF-GXTWGEPZSA-N -1 0 303.406 3.748 20 0 DHADRM CC[C@H](C)CC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594934491 982579571 /nfs/dbraw/zinc/57/95/71/982579571.db2.gz JTKLFRVSQQTVCK-TVQRCGJNSA-N -1 0 318.291 3.968 20 0 DHADRM CCCCSCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595789347 982588638 /nfs/dbraw/zinc/58/86/38/982588638.db2.gz WXWNYYCEOMXRMO-UHFFFAOYSA-N -1 0 321.442 3.506 20 0 DHADRM CCCCc1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001595793405 982595796 /nfs/dbraw/zinc/59/57/96/982595796.db2.gz HQFRCUSAHNUQSA-UHFFFAOYSA-N -1 0 302.326 3.677 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594938025 982604221 /nfs/dbraw/zinc/60/42/21/982604221.db2.gz CUKJHDJGULRXLE-QRTARXTBSA-N -1 0 317.429 3.502 20 0 DHADRM CCCCc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001595797065 982604262 /nfs/dbraw/zinc/60/42/62/982604262.db2.gz SFUPGCLEOMHGDA-MDZDMXLPSA-N -1 0 313.353 3.972 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001594938053 982604768 /nfs/dbraw/zinc/60/47/68/982604768.db2.gz DNYSKOBYGGUHLF-GOEBONIOSA-N -1 0 319.445 3.750 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001594938052 982604939 /nfs/dbraw/zinc/60/49/39/982604939.db2.gz DNYSKOBYGGUHLF-GDBMZVCRSA-N -1 0 319.445 3.750 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001594940153 982612660 /nfs/dbraw/zinc/61/26/60/982612660.db2.gz XXKKGHCTKYWOOA-YSVLISHTSA-N -1 0 317.429 3.502 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911756451 982633723 /nfs/dbraw/zinc/63/37/23/982633723.db2.gz WJYIOWMLSLGVHE-WDEREUQCSA-N -1 0 311.328 3.628 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001594945959 982637289 /nfs/dbraw/zinc/63/72/89/982637289.db2.gz KAWNDEZUUDKYBM-MLGOLLRUSA-N -1 0 303.402 3.573 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001594945958 982637539 /nfs/dbraw/zinc/63/75/39/982637539.db2.gz KAWNDEZUUDKYBM-LRDDRELGSA-N -1 0 303.402 3.573 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001594945960 982637548 /nfs/dbraw/zinc/63/75/48/982637548.db2.gz KAWNDEZUUDKYBM-WBMJQRKESA-N -1 0 303.402 3.573 20 0 DHADRM CCCCn1ncc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1C ZINC001595810248 982643985 /nfs/dbraw/zinc/64/39/85/982643985.db2.gz ILYNWFZZYHJGHY-SNVBAGLBSA-N -1 0 307.419 3.924 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000914729393 982655311 /nfs/dbraw/zinc/65/53/11/982655311.db2.gz FZMWYSBMTYYFLY-LLVKDONJSA-N -1 0 301.317 3.656 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001594950094 982656965 /nfs/dbraw/zinc/65/69/65/982656965.db2.gz SQUQPKSXTGFSPC-MEBBXXQBSA-N -1 0 317.385 3.669 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001594950259 982658671 /nfs/dbraw/zinc/65/86/71/982658671.db2.gz WLTXJCNFRGEMRV-ZANVPECISA-N -1 0 323.776 3.705 20 0 DHADRM CC[C@@H](C)C[C@@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC001594952292 982667316 /nfs/dbraw/zinc/66/73/16/982667316.db2.gz IAXLSQNQDMLQCD-ZYHUDNBSSA-N -1 0 313.357 3.677 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001594958651 982699862 /nfs/dbraw/zinc/69/98/62/982699862.db2.gz FBQBMICFLCFBSI-CXAGYDPISA-N -1 0 317.429 3.944 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001594959443 982707481 /nfs/dbraw/zinc/70/74/81/982707481.db2.gz UJWPIEJIRXEJBN-CQSZACIVSA-N -1 0 305.418 3.536 20 0 DHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000923090737 982716546 /nfs/dbraw/zinc/71/65/46/982716546.db2.gz DWCSTNIDBXVMMI-LBPRGKRZSA-N -1 0 303.383 3.887 20 0 DHADRM CCCOc1cccc(C(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC000923090848 982716584 /nfs/dbraw/zinc/71/65/84/982716584.db2.gz GCCWEIKVEPACKB-UHFFFAOYSA-N -1 0 319.382 3.796 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCc1ccc(C)cc1 ZINC000923092601 982717929 /nfs/dbraw/zinc/71/79/29/982717929.db2.gz SFSPUUDBRAVTCU-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000923102245 982725279 /nfs/dbraw/zinc/72/52/79/982725279.db2.gz DXCPEVHAWLFBMV-SSRUIJIPSA-N -1 0 313.397 3.640 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1coc2ccc(C(C)C)cc12 ZINC001594978188 982759008 /nfs/dbraw/zinc/75/90/08/982759008.db2.gz JYFWAHKFAXCYTD-LBPRGKRZSA-N -1 0 317.385 3.882 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594983611 982786426 /nfs/dbraw/zinc/78/64/26/982786426.db2.gz HEWXMAVWOVPLHF-HIFRSBDPSA-N -1 0 320.433 3.669 20 0 DHADRM O=C([O-])CCC1(NC(=O)c2ccsc2Cl)CCCCC1 ZINC000923213854 982844768 /nfs/dbraw/zinc/84/47/68/982844768.db2.gz YYTVKGSECCDIEM-UHFFFAOYSA-N -1 0 315.822 3.699 20 0 DHADRM C[C@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000614688498 1014884709 /nfs/dbraw/zinc/88/47/09/1014884709.db2.gz MOFHCSYOGDQTHA-CYBMUJFWSA-N -1 0 323.421 3.759 20 0 DHADRM O=C([O-])C[C@H](NC(=O)OC1CCCC1)c1ccc(Cl)cc1 ZINC000926454235 982885996 /nfs/dbraw/zinc/88/59/96/982885996.db2.gz VPUVJWSZJNGVNT-ZDUSSCGKSA-N -1 0 311.765 3.525 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)Cc1ccccc1F ZINC001595886061 982913950 /nfs/dbraw/zinc/91/39/50/982913950.db2.gz VJFIYKXBUBMTMG-UHFFFAOYSA-N -1 0 318.392 3.827 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CCCCC2)cc1 ZINC001116296302 982924935 /nfs/dbraw/zinc/92/49/35/982924935.db2.gz YKTRVGRVDUHYDW-MRXNPFEDSA-N -1 0 303.402 3.597 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccsc2C(=O)[O-])n1 ZINC001595007442 982925019 /nfs/dbraw/zinc/92/50/19/982925019.db2.gz BUYJFMOLNXIWAK-SNVBAGLBSA-N -1 0 306.387 3.631 20 0 DHADRM CCCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001595891253 982925375 /nfs/dbraw/zinc/92/53/75/982925375.db2.gz QKTHLYLQBVKDBB-UHFFFAOYSA-N -1 0 315.344 3.576 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccc(/C=C/C(=O)[O-])o2)n1 ZINC001595007615 982925705 /nfs/dbraw/zinc/92/57/05/982925705.db2.gz DGSURBFUIJXDTM-VMPCVLLUSA-N -1 0 316.357 3.562 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)C(C)C ZINC001116297479 982925816 /nfs/dbraw/zinc/92/58/16/982925816.db2.gz OWCVJXURFYRBSK-ZBFHGGJFSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC001116329831 982929239 /nfs/dbraw/zinc/92/92/39/982929239.db2.gz NJXLEQBXOODHHP-IHWYPQMZSA-N -1 0 313.328 3.874 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001595009059 982931663 /nfs/dbraw/zinc/93/16/63/982931663.db2.gz BXGRASAVSJUBAK-WOSRLPQWSA-N -1 0 303.402 3.525 20 0 DHADRM Cc1cc(NC(=O)c2cc(C)c3ccccc3n2)ccc1C(=O)[O-] ZINC001116768525 982933984 /nfs/dbraw/zinc/93/39/84/982933984.db2.gz OKYPUZUZVFMQPB-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001595009791 982936623 /nfs/dbraw/zinc/93/66/23/982936623.db2.gz ZDMAPMCXBAKCDW-ZDUSSCGKSA-N -1 0 314.385 3.878 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001595010143 982939367 /nfs/dbraw/zinc/93/93/67/982939367.db2.gz NPAAKVXPEPYIBS-NSHDSACASA-N -1 0 302.326 3.848 20 0 DHADRM CC(C)[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1 ZINC001118753290 982961769 /nfs/dbraw/zinc/96/17/69/982961769.db2.gz WOCPKLRKIAQUEB-HNNXBMFYSA-N -1 0 305.418 3.528 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)c(C)n1C1CC1 ZINC001119619076 983007102 /nfs/dbraw/zinc/00/71/02/983007102.db2.gz UYQOJKXYNFMAQT-UHFFFAOYSA-N -1 0 318.398 3.760 20 0 DHADRM CSc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1 ZINC000443412562 1014907135 /nfs/dbraw/zinc/90/71/35/1014907135.db2.gz BWJSBLVMBVVTBQ-UHFFFAOYSA-N -1 0 322.455 3.728 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@H](CC)C(=O)[O-])cc1C(C)C ZINC001595962034 983163376 /nfs/dbraw/zinc/16/33/76/983163376.db2.gz WJGNCMKCYRGYMG-CYBMUJFWSA-N -1 0 307.390 3.648 20 0 DHADRM CCCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595966456 983172737 /nfs/dbraw/zinc/17/27/37/983172737.db2.gz KYNSTFLXWXUEAS-INIZCTEOSA-N -1 0 303.333 3.852 20 0 DHADRM CCCOc1ccc(NCc2ccsc2C(=O)[O-])cc1OC ZINC001595966603 983173399 /nfs/dbraw/zinc/17/33/99/983173399.db2.gz LKQJAYZOMAMDED-UHFFFAOYSA-N -1 0 321.398 3.856 20 0 DHADRM CCCOc1cccc(CSc2nc(C(=O)[O-])cs2)c1 ZINC001595969026 983187780 /nfs/dbraw/zinc/18/77/80/983187780.db2.gz KIAMCWNQTCNXCH-UHFFFAOYSA-N -1 0 309.412 3.922 20 0 DHADRM CCC[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001595996037 983252462 /nfs/dbraw/zinc/25/24/62/983252462.db2.gz VDKCVYSZKBJOSK-SNVBAGLBSA-N -1 0 311.790 3.538 20 0 DHADRM CCCc1c(C(=O)N[C@@H](C)c2ccsc2)[nH]c(C)c1C(=O)[O-] ZINC001596036805 983315215 /nfs/dbraw/zinc/31/52/15/983315215.db2.gz PICRWNVVIBGNTR-VIFPVBQESA-N -1 0 320.414 3.526 20 0 DHADRM CCCc1ccc(OC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001596069484 983384397 /nfs/dbraw/zinc/38/43/97/983384397.db2.gz ZUJYZTBLGSGPDC-HJWRWDBZSA-N -1 0 300.310 3.549 20 0 DHADRM CCCc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001596070539 983385629 /nfs/dbraw/zinc/38/56/29/983385629.db2.gz KHHDMGLTZQTNFY-HNNXBMFYSA-N -1 0 323.392 3.858 20 0 DHADRM CCCc1nc(C)c(CN[C@H](C(=O)[O-])c2ccccc2Cl)o1 ZINC001596083306 983404841 /nfs/dbraw/zinc/40/48/41/983404841.db2.gz KNECZBSMMDJPSF-HNNXBMFYSA-N -1 0 322.792 3.504 20 0 DHADRM CSc1cc(F)c(Nc2cc(=O)[n-]c(Cl)n2)c(F)c1 ZINC001215841377 1014943924 /nfs/dbraw/zinc/94/39/24/1014943924.db2.gz RGBDIIBLRPPVGX-UHFFFAOYSA-N -1 0 303.721 3.579 20 0 DHADRM CCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(C)(C)C(=O)[O-] ZINC001596131999 983480506 /nfs/dbraw/zinc/48/05/06/983480506.db2.gz YPYLAINXCKLABB-AWEZNQCLSA-N -1 0 319.445 3.700 20 0 DHADRM CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccc1C(=O)[O-] ZINC001596137941 983488269 /nfs/dbraw/zinc/48/82/69/983488269.db2.gz PTQHSABYXWRMFM-GJZGRUSLSA-N -1 0 301.386 3.564 20 0 DHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc2[nH]ccc2c1 ZINC001596138641 983489397 /nfs/dbraw/zinc/48/93/97/983489397.db2.gz VKMRXAFZWANVMP-GQCTYLIASA-N -1 0 324.336 3.525 20 0 DHADRM Cc1ccc([C@@H](C)Oc2n[n-]c(=O)cc2Br)c(C)c1 ZINC001226850331 1014950499 /nfs/dbraw/zinc/95/04/99/1014950499.db2.gz UWPGULWYHMGMSQ-SNVBAGLBSA-N -1 0 323.190 3.702 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000322504703 1014967174 /nfs/dbraw/zinc/96/71/74/1014967174.db2.gz OUJMHTNJUZDTAR-LRDDRELGSA-N -1 0 312.369 3.557 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)C1(C2CCCCC2)CCCCC1 ZINC001596304142 983731713 /nfs/dbraw/zinc/73/17/13/983731713.db2.gz RKZKWCQCADGWMN-UHFFFAOYSA-N -1 0 309.450 3.840 20 0 DHADRM CCN(Cc1c(F)cccc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001596354340 983817071 /nfs/dbraw/zinc/81/70/71/983817071.db2.gz LCGCBSGXUNFENZ-MRXNPFEDSA-N -1 0 305.324 3.613 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1ccccc1F ZINC001596354543 983820134 /nfs/dbraw/zinc/82/01/34/983820134.db2.gz WLVYEFIWTLCFMI-UHFFFAOYSA-N -1 0 318.392 3.998 20 0 DHADRM CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@H](C)C(F)(F)F ZINC001596359335 983833209 /nfs/dbraw/zinc/83/32/09/983833209.db2.gz DRKKUXMFVYPOEK-LLVKDONJSA-N -1 0 315.335 3.576 20 0 DHADRM CCN(Cc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC001596364523 983849440 /nfs/dbraw/zinc/84/94/40/983849440.db2.gz KPEYFAJBXXHYPS-UHFFFAOYSA-N -1 0 324.302 3.825 20 0 DHADRM CCOC(=O)C[C@H](C)SCc1cccc(C(=O)[O-])c1Cl ZINC001596592618 984530570 /nfs/dbraw/zinc/53/05/70/984530570.db2.gz NANZEABPHOOUDA-VIFPVBQESA-N -1 0 316.806 3.613 20 0 DHADRM C=Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001588919282 984570901 /nfs/dbraw/zinc/57/09/01/984570901.db2.gz FYILDFWZFUZABY-QGZVFWFLSA-N -1 0 309.365 3.584 20 0 DHADRM CSc1ccccc1CN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000684335298 1015050736 /nfs/dbraw/zinc/05/07/36/1015050736.db2.gz HIHHICRVOWPNNP-UHFFFAOYSA-N -1 0 323.364 3.665 20 0 DHADRM C/C(=C/C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1C ZINC001588940106 984632507 /nfs/dbraw/zinc/63/25/07/984632507.db2.gz XSTDVBUDEKWAGW-KAMYIIQDSA-N -1 0 321.376 3.686 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)cc1C(=O)[O-])c1cccs1 ZINC001588943958 984643565 /nfs/dbraw/zinc/64/35/65/984643565.db2.gz KKSIOPOUDZKPTM-CLFYSBASSA-N -1 0 305.330 3.627 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001588944087 984644401 /nfs/dbraw/zinc/64/44/01/984644401.db2.gz OEAZGUMCLXFBKZ-FLIBITNWSA-N -1 0 322.320 3.568 20 0 DHADRM C/C(=C/C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944411 984647409 /nfs/dbraw/zinc/64/74/09/984647409.db2.gz WTUZVMVCPVCHTO-YVMONPNESA-N -1 0 323.320 3.767 20 0 DHADRM C/C(=C\C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC001588945238 984651995 /nfs/dbraw/zinc/65/19/95/984651995.db2.gz IHZZATNWIJVYBU-ZRDIBKRKSA-N -1 0 315.394 3.807 20 0 DHADRM C/C(=C/C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccco1 ZINC001588945591 984653541 /nfs/dbraw/zinc/65/35/41/984653541.db2.gz KQBLJHGCOZHPMA-LUAWRHEFSA-N -1 0 322.320 3.568 20 0 DHADRM C/C(=C/C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1cccs1 ZINC001588946507 984657121 /nfs/dbraw/zinc/65/71/21/984657121.db2.gz RINZQXDVLRFFOV-MMRAYRKESA-N -1 0 315.394 3.978 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001599887899 984658679 /nfs/dbraw/zinc/65/86/79/984658679.db2.gz WYWRJFDKEVJDSK-SNVBAGLBSA-N -1 0 312.325 3.571 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC001599889785 984680620 /nfs/dbraw/zinc/68/06/20/984680620.db2.gz ZPZMQJCGRDXTKN-GFCCVEGCSA-N -1 0 300.354 3.524 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599891211 984696809 /nfs/dbraw/zinc/69/68/09/984696809.db2.gz LETNHJZDZSDJKA-RHSMWYFYSA-N -1 0 323.477 3.990 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599891497 984700167 /nfs/dbraw/zinc/70/01/67/984700167.db2.gz SANFQGOHVLKWLU-CQSZACIVSA-N -1 0 309.450 3.744 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001588956063 984701220 /nfs/dbraw/zinc/70/12/20/984701220.db2.gz FUAUBWBVFANHES-KAMYIIQDSA-N -1 0 316.397 3.992 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001588956347 984703621 /nfs/dbraw/zinc/70/36/21/984703621.db2.gz LYUMCMOHGORWRB-MZYQSODMSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001588956651 984707894 /nfs/dbraw/zinc/70/78/94/984707894.db2.gz WWYILAVCTHEAFR-YOTHFQRASA-N -1 0 315.413 3.701 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1)C(=O)[O-] ZINC000191405932 1015059302 /nfs/dbraw/zinc/05/93/02/1015059302.db2.gz LSVZNOZAUINSHE-GFCCVEGCSA-N -1 0 322.364 3.683 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001599903830 984896081 /nfs/dbraw/zinc/89/60/81/984896081.db2.gz LPJWJZAVXTZBSI-AEJSXWLSSA-N -1 0 316.806 3.897 20 0 DHADRM C[C@H](OC(=O)c1cc(F)cc(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001599904138 984900764 /nfs/dbraw/zinc/90/07/64/984900764.db2.gz GTWPLZJKGZBJAT-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904442 984904853 /nfs/dbraw/zinc/90/48/53/984904853.db2.gz JZDWDHPAEYGRCI-AFAVFJNCSA-N -1 0 310.349 3.793 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588996126 984931811 /nfs/dbraw/zinc/93/18/11/984931811.db2.gz ZXSNIFSGYMMLNP-IFCKCIONSA-N -1 0 321.376 3.613 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001599908743 984957782 /nfs/dbraw/zinc/95/77/82/984957782.db2.gz JIYXQOYMSWVGOX-XYPYZODXSA-N -1 0 315.373 3.566 20 0 DHADRM C/C(=C\c1ccco1)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001589010695 984982485 /nfs/dbraw/zinc/98/24/85/984982485.db2.gz PJBBEZNSYHZFNA-ZRDIBKRKSA-N -1 0 314.337 3.651 20 0 DHADRM CC(=O)[C@@H](C)S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589023797 985026486 /nfs/dbraw/zinc/02/64/86/985026486.db2.gz WEMGEDLYUORTMT-KCJUWKMLSA-N -1 0 306.305 3.542 20 0 DHADRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599925286 985191406 /nfs/dbraw/zinc/19/14/06/985191406.db2.gz LPVPLGWPLIMYHY-XOBRGWDASA-N -1 0 323.392 3.536 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000656737316 1015107907 /nfs/dbraw/zinc/10/79/07/1015107907.db2.gz ANCCBHQOOSGFJQ-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM Cc1[nH]c(-c2csc(-c3ccccc3N)n2)c(C)c1C(=O)[O-] ZINC001599941679 985462277 /nfs/dbraw/zinc/46/22/77/985462277.db2.gz XIMWVRGJBQPTSU-UHFFFAOYSA-N -1 0 313.382 3.702 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2ccc(SC)c(C(=O)[O-])c2)C12CCC2 ZINC001596842324 985530850 /nfs/dbraw/zinc/53/08/50/985530850.db2.gz JYQJPTUPFCEDKI-HUUCEWRRSA-N -1 0 321.442 3.866 20 0 DHADRM C[C@@H]1[C@@H](C)CN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594494237 985624612 /nfs/dbraw/zinc/62/46/12/985624612.db2.gz NDTNWXNFGFZJNY-QWHCGFSZSA-N -1 0 309.365 3.532 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@H]1C ZINC001594494235 985624754 /nfs/dbraw/zinc/62/47/54/985624754.db2.gz NDTNWXNFGFZJNY-OLZOCXBDSA-N -1 0 309.365 3.532 20 0 DHADRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001589199407 985631390 /nfs/dbraw/zinc/63/13/90/985631390.db2.gz IWYWBCSDUFPRIE-HNNXBMFYSA-N -1 0 318.760 3.536 20 0 DHADRM Cc1coc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc12 ZINC001599956738 985701507 /nfs/dbraw/zinc/70/15/07/985701507.db2.gz NIGSRXILULPWSF-UHFFFAOYSA-N -1 0 312.325 3.637 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSCc1ccc(Cl)cc1 ZINC001599960294 985769223 /nfs/dbraw/zinc/76/92/23/985769223.db2.gz FPPVZHANKVYMBM-UHFFFAOYSA-N -1 0 323.801 3.791 20 0 DHADRM Cc1[nH]c(CN2C[C@H](C)CSc3ccccc32)cc1C(=O)[O-] ZINC001599962367 985812900 /nfs/dbraw/zinc/81/29/00/985812900.db2.gz OHNSGGZCXUBTAQ-NSHDSACASA-N -1 0 316.426 3.770 20 0 DHADRM CC(=O)c1c(C)cc(OCc2ccsc2C(=O)[O-])cc1C ZINC001589255338 985890199 /nfs/dbraw/zinc/89/01/99/985890199.db2.gz RUCZXKZTZVVRFG-UHFFFAOYSA-N -1 0 304.367 3.845 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cs1 ZINC001589257461 985902998 /nfs/dbraw/zinc/90/29/98/985902998.db2.gz JUKJZFXQWLWXLF-UHFFFAOYSA-N -1 0 323.757 3.555 20 0 DHADRM Cc1c(=O)[nH]c(SCCCCC(=O)[O-])nc1-c1ccccc1 ZINC001599969362 985976670 /nfs/dbraw/zinc/97/66/70/985976670.db2.gz HWGVRQVCDQSWEC-UHFFFAOYSA-N -1 0 318.398 3.505 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)cc1C ZINC001589279372 986003077 /nfs/dbraw/zinc/00/30/77/986003077.db2.gz PSZHJNHFQDXECW-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1ccc(Cl)cc1OCc1ccsc1C(=O)[O-] ZINC001589284164 986019868 /nfs/dbraw/zinc/01/98/68/986019868.db2.gz SINURTPEJLWZFI-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM CC(=O)c1ccc(OC[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC001589291019 986033582 /nfs/dbraw/zinc/03/35/82/986033582.db2.gz MAPVWKDPBZIRTM-BXUZGUMPSA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001589291050 986034001 /nfs/dbraw/zinc/03/40/01/986034001.db2.gz OJMNTLINKAGEMN-UHFFFAOYSA-N -1 0 303.745 3.853 20 0 DHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)c2cccc(Cl)c2O1 ZINC001594536153 986151352 /nfs/dbraw/zinc/15/13/52/986151352.db2.gz PIYZIEGVCYJSLM-VIFPVBQESA-N -1 0 323.801 3.887 20 0 DHADRM C[C@H](C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001589341851 986258129 /nfs/dbraw/zinc/25/81/29/986258129.db2.gz CAKNIGBSEGRQLQ-OPDFLTKYSA-N -1 0 323.820 3.544 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C12CCC(CC1)CC2 ZINC001597010323 986350328 /nfs/dbraw/zinc/35/03/28/986350328.db2.gz YNTIYDRUFUDEDQ-UHFFFAOYSA-N -1 0 317.385 3.692 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C[C@@H](C)CC ZINC001597016559 986382777 /nfs/dbraw/zinc/38/27/77/986382777.db2.gz FVAUSDULLUXBCW-NWDGAFQWSA-N -1 0 322.405 3.730 20 0 DHADRM C[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@@H](C)C(C)(C)C ZINC001589365727 986394187 /nfs/dbraw/zinc/39/41/87/986394187.db2.gz YNSATLOFLNNTAW-CHWSQXEVSA-N -1 0 317.429 3.588 20 0 DHADRM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589368734 986402545 /nfs/dbraw/zinc/40/25/45/986402545.db2.gz KQCFKIZCMDHKMR-HEHGZKQESA-N -1 0 317.429 3.515 20 0 DHADRM CCOc1cc(C)ccc1CNCc1ccc(C(=O)[O-])cc1F ZINC001597031545 986448587 /nfs/dbraw/zinc/44/85/87/986448587.db2.gz JJTIRVMYLJZNCF-UHFFFAOYSA-N -1 0 317.360 3.521 20 0 DHADRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001594583815 986452265 /nfs/dbraw/zinc/45/22/65/986452265.db2.gz PVOWAZFKEYYPHU-HZMBPMFUSA-N -1 0 302.761 3.631 20 0 DHADRM C[C@H]1CSc2ccccc2N1Cc1cc(C(=O)[O-])cs1 ZINC001594612958 986615446 /nfs/dbraw/zinc/61/54/46/986615446.db2.gz YAUAXUSIDLGLHL-JTQLQIEISA-N -1 0 305.424 3.947 20 0 DHADRM C[C@H]1Cc2cc(Nc3ncc(C(=O)[O-])cc3Cl)ccc2O1 ZINC001594618775 986642348 /nfs/dbraw/zinc/64/23/48/986642348.db2.gz IWQBVKTVSBPDCR-QMMMGPOBSA-N -1 0 304.733 3.500 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@H](C)Cc2ccccc21 ZINC001594623339 986674421 /nfs/dbraw/zinc/67/44/21/986674421.db2.gz ZSVVEZWWHPTXGG-GHMZBOCLSA-N -1 0 302.399 3.601 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)[C@H](C)C(C)(C)C ZINC001589429783 986713037 /nfs/dbraw/zinc/71/30/37/986713037.db2.gz PYBTYDXNHIGKSI-IUCAKERBSA-N -1 0 313.344 3.920 20 0 DHADRM CCOc1ccc(NC(=O)/C=C2\CC[C@@H](C)C2)c(C(=O)[O-])c1F ZINC001597111523 986766914 /nfs/dbraw/zinc/76/69/14/986766914.db2.gz FEMAWDATRBCGHV-OYVNLZQHSA-N -1 0 321.348 3.608 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H](C)[C@H](C)CC)c(C(=O)[O-])c1F ZINC001597112249 986775181 /nfs/dbraw/zinc/77/51/81/986775181.db2.gz KOZVUZRFNBGWFX-ZJUUUORDSA-N -1 0 311.353 3.543 20 0 DHADRM CCOc1ccc2[nH]c(S[C@@H](C(=O)[O-])[C@H](C)CC)nc2c1 ZINC001597145589 986907371 /nfs/dbraw/zinc/90/73/71/986907371.db2.gz IRPZPAQOBKNTLH-NOZJJQNGSA-N -1 0 308.403 3.553 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001597150592 986928170 /nfs/dbraw/zinc/92/81/70/986928170.db2.gz QOHOQVJQYSGONK-AWEZNQCLSA-N -1 0 318.325 3.685 20 0 DHADRM C[C@@H]1Sc2ccccc2N(Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001594665418 986958970 /nfs/dbraw/zinc/95/89/70/986958970.db2.gz FQZGEQHJTSCSBC-RYUDHWBXSA-N -1 0 314.410 3.669 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCc1ccccc1Cl)C1CCC1 ZINC001589472157 986965383 /nfs/dbraw/zinc/96/53/83/986965383.db2.gz NPUJPETYBSIIBQ-LBPRGKRZSA-N -1 0 323.820 3.517 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2cc(F)ccc2s1)C1CCC1 ZINC001589477169 986982220 /nfs/dbraw/zinc/98/22/20/986982220.db2.gz MNKPVRBVYWUBHO-SECBINFHSA-N -1 0 321.373 3.508 20 0 DHADRM C/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001594673648 986992590 /nfs/dbraw/zinc/99/25/90/986992590.db2.gz IJWJDJIKWCEGNX-UDTCEQKLSA-N -1 0 323.392 3.952 20 0 DHADRM CCOc1ccccc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001597172564 987004920 /nfs/dbraw/zinc/00/49/20/987004920.db2.gz GHXJXXGTXQOQON-NSHDSACASA-N -1 0 318.325 3.603 20 0 DHADRM C/C=C(\CC)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001594676551 987005853 /nfs/dbraw/zinc/00/58/53/987005853.db2.gz OSPILJUSEUFIHV-YCRREMRBSA-N -1 0 308.403 3.794 20 0 DHADRM C/C=C(/C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677600 987016205 /nfs/dbraw/zinc/01/62/05/987016205.db2.gz PKQNZZHZZQAVTC-KGHNQEBZSA-N -1 0 303.141 3.629 20 0 DHADRM CC/C(=C/C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(C)cc1 ZINC001594690733 987082699 /nfs/dbraw/zinc/08/26/99/987082699.db2.gz ABSQGQUEHJLRNV-UZFBZYOGSA-N -1 0 315.413 3.643 20 0 DHADRM CC/C(=C/C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594690835 987083737 /nfs/dbraw/zinc/08/37/37/987083737.db2.gz JSMZTYDKFQZAIY-QINSGFPZSA-N -1 0 315.413 3.550 20 0 DHADRM CC/C(=C\C(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691356 987090178 /nfs/dbraw/zinc/09/01/78/987090178.db2.gz RQVNGCXCOOGNTJ-HBIYDYFMSA-N -1 0 321.804 3.503 20 0 DHADRM CC/C(=C/C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001594692402 987102808 /nfs/dbraw/zinc/10/28/08/987102808.db2.gz ZNEASISVUGARLV-AKMXKPQHSA-N -1 0 315.413 3.644 20 0 DHADRM CCC(=O)N(C)c1ccc(N[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001594694900 987109096 /nfs/dbraw/zinc/10/90/96/987109096.db2.gz BFZMBVQJDSCEMK-LLVKDONJSA-N -1 0 316.357 3.524 20 0 DHADRM CCC(=O)CCCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001594696395 987120661 /nfs/dbraw/zinc/12/06/61/987120661.db2.gz PXVJSVBCYLFJBS-UHFFFAOYSA-N -1 0 321.320 3.650 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1 ZINC001589508470 987129047 /nfs/dbraw/zinc/12/90/47/987129047.db2.gz KIGNQSNTDHKKMS-GFCCVEGCSA-N -1 0 316.401 3.529 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC001589511758 987142749 /nfs/dbraw/zinc/14/27/49/987142749.db2.gz CSUQHLJYBPNKSC-ZDUSSCGKSA-N -1 0 324.380 3.686 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001589512215 987147779 /nfs/dbraw/zinc/14/77/79/987147779.db2.gz IOBRTAUOUOTUAC-IATRGZMQSA-N -1 0 318.417 3.821 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC001589522596 987179875 /nfs/dbraw/zinc/17/98/75/987179875.db2.gz LRCMOGKERYIGIF-RPLLJCPNSA-N -1 0 323.392 3.863 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC001589532372 987213931 /nfs/dbraw/zinc/21/39/31/987213931.db2.gz PWPFZSWEXXDPPS-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC001589532435 987214079 /nfs/dbraw/zinc/21/40/79/987214079.db2.gz DMTJPHRJVIWZPM-NSHDSACASA-N -1 0 317.772 3.709 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ccncc3c2)c1 ZINC001589533301 987225321 /nfs/dbraw/zinc/22/53/21/987225321.db2.gz ZEXXIUOOHLECEN-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC001589540931 987249271 /nfs/dbraw/zinc/24/92/71/987249271.db2.gz USNMBOCDGVKGDK-TVQRCGJNSA-N -1 0 324.785 3.874 20 0 DHADRM CC[C@H](C(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccccc1 ZINC001594735351 987268465 /nfs/dbraw/zinc/26/84/65/987268465.db2.gz LYAIWISFUBZDMH-NSHDSACASA-N -1 0 319.307 3.795 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1ccc(C)cc1 ZINC001594739975 987284479 /nfs/dbraw/zinc/28/44/79/987284479.db2.gz FGPIBAXQDKYLFB-QGZVFWFLSA-N -1 0 311.381 3.639 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1ccc(C)cc1 ZINC001594739974 987284527 /nfs/dbraw/zinc/28/45/27/987284527.db2.gz FGPIBAXQDKYLFB-KRWDZBQOSA-N -1 0 311.381 3.639 20 0 DHADRM CCSc1ccc(CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597272833 987325007 /nfs/dbraw/zinc/32/50/07/987325007.db2.gz PIUHSWYEMANHPR-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CC(C)(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCC1 ZINC001589582899 987368317 /nfs/dbraw/zinc/36/83/17/987368317.db2.gz YMORJBRDMMQGHW-UHFFFAOYSA-N -1 0 321.442 3.769 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1F ZINC001597341849 987479245 /nfs/dbraw/zinc/47/92/45/987479245.db2.gz HXGGTFOCTNITPG-INIZCTEOSA-N -1 0 315.344 3.713 20 0 DHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C(F)=C1CCCC1 ZINC001589617258 987491389 /nfs/dbraw/zinc/49/13/89/987491389.db2.gz YGGOOFSEIQWPLS-UHFFFAOYSA-N -1 0 319.376 3.676 20 0 DHADRM CCc1[nH]c(C(=O)N2CCC[C@@]2(C)CC(C)C)c(C)c1C(=O)[O-] ZINC001597361656 987521658 /nfs/dbraw/zinc/52/16/58/987521658.db2.gz UFKMQTAKVMYKQQ-SFHVURJKSA-N -1 0 320.433 3.625 20 0 DHADRM CCc1cc(Br)ccc1N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001597423829 987746287 /nfs/dbraw/zinc/74/62/87/987746287.db2.gz HPGDOVWWWKUDOG-ZYHUDNBSSA-N -1 0 312.207 3.677 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cnc(C(C)C)s2)s1 ZINC001597446018 987821318 /nfs/dbraw/zinc/82/13/18/987821318.db2.gz WJDWXACPKHPLIG-UHFFFAOYSA-N -1 0 324.427 3.841 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)c1ccco1 ZINC001597451747 987842345 /nfs/dbraw/zinc/84/23/45/987842345.db2.gz GHCQJBKMIMCQHX-NSHDSACASA-N -1 0 316.357 3.765 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC(C)(C)C1 ZINC001597452234 987847545 /nfs/dbraw/zinc/84/75/45/987847545.db2.gz DQRLLZKCLIWAFF-UHFFFAOYSA-N -1 0 304.390 3.601 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[C@H]1C ZINC001597456763 987865508 /nfs/dbraw/zinc/86/55/08/987865508.db2.gz CCORUBUQIZORBW-IUODEOHRSA-N -1 0 318.417 3.895 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)/C=C/Cl ZINC001597457578 987876041 /nfs/dbraw/zinc/87/60/41/987876041.db2.gz WRRIEQDKLOXGFW-BQYQJAHWSA-N -1 0 310.781 3.600 20 0 DHADRM CC(C)(C)[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001589720080 987881784 /nfs/dbraw/zinc/88/17/84/987881784.db2.gz LYFGWSYUSNWSNR-CQSZACIVSA-N -1 0 303.337 3.513 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589727901 987924870 /nfs/dbraw/zinc/92/48/70/987924870.db2.gz BPEHKRLFVMZECF-UONOGXRCSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589728288 987930260 /nfs/dbraw/zinc/93/02/60/987930260.db2.gz ICNNKZOOPJWKQD-KGLIPLIRSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589728401 987931683 /nfs/dbraw/zinc/93/16/83/987931683.db2.gz KNJSOCNHSZFUHV-JKSUJKDBSA-N -1 0 317.429 3.648 20 0 DHADRM CCc1cc(C)c(OC(=O)c2oc(C(=O)[O-])cc2C)c(C)c1 ZINC001597471558 987935581 /nfs/dbraw/zinc/93/55/81/987935581.db2.gz SWTJAOQYEIZMGZ-UHFFFAOYSA-N -1 0 302.326 3.685 20 0 DHADRM CCc1oc(CNc2ncc(Cl)cc2CC)cc1C(=O)[O-] ZINC001597477035 987945474 /nfs/dbraw/zinc/94/54/74/987945474.db2.gz RUNWGWMFKAYSCN-UHFFFAOYSA-N -1 0 308.765 3.763 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001589732108 987955311 /nfs/dbraw/zinc/95/53/11/987955311.db2.gz FSTCEBLADNBHKP-NSHDSACASA-N -1 0 322.380 3.814 20 0 DHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)C[C@H](C)CC(=O)[O-] ZINC001597478715 987964846 /nfs/dbraw/zinc/96/48/46/987964846.db2.gz SXRNVJKCFPMXQF-MRVPVSSYSA-N -1 0 319.184 3.962 20 0 DHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n[nH]1 ZINC000474425181 1015350238 /nfs/dbraw/zinc/35/02/38/1015350238.db2.gz FSWMNSYHCBYBQX-UHFFFAOYSA-N -1 0 321.446 3.532 20 0 DHADRM CC(C)(C)[C@H]1CN(Cc2oncc2C(=O)[O-])c2ccccc21 ZINC001589734957 987983223 /nfs/dbraw/zinc/98/32/23/987983223.db2.gz MACQCOOUTZAYJI-ZDUSSCGKSA-N -1 0 300.358 3.523 20 0 DHADRM CS/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001599790330 987995968 /nfs/dbraw/zinc/99/59/68/987995968.db2.gz JGVDXSUIGDCUIL-NSCUHMNNSA-N -1 0 306.170 3.507 20 0 DHADRM CSCC(C)(C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599790611 988000344 /nfs/dbraw/zinc/00/03/44/988000344.db2.gz JIEHFHVQAKGUSX-AWEZNQCLSA-N -1 0 322.426 3.695 20 0 DHADRM CCc1ccc(-c2noc(/C=C\c3ccc(C(=O)[O-])o3)n2)cc1 ZINC001597491712 988019181 /nfs/dbraw/zinc/01/91/81/988019181.db2.gz IJXSLIHOKZWYLJ-NTMALXAHSA-N -1 0 310.309 3.761 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(SC2CC2)cc1)C(=O)[O-] ZINC001589751882 988059009 /nfs/dbraw/zinc/05/90/09/988059009.db2.gz UGSQIQSFZJGIFF-CQSZACIVSA-N -1 0 321.442 3.560 20 0 DHADRM CC(C)(C)C[C@@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(F)cc1 ZINC001589756696 988066268 /nfs/dbraw/zinc/06/62/68/988066268.db2.gz CUVORRMPWLAYIQ-CQSZACIVSA-N -1 0 317.364 3.903 20 0 DHADRM CCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c(O)c1 ZINC001597502870 988069842 /nfs/dbraw/zinc/06/98/42/988069842.db2.gz KAJOQEOXKYZGAO-UHFFFAOYSA-N -1 0 319.382 3.583 20 0 DHADRM CC(C)(C)C[C@@H](Nc1nccc(Oc2ccccc2)n1)C(=O)[O-] ZINC001589757383 988074373 /nfs/dbraw/zinc/07/43/73/988074373.db2.gz WCDABOCXNVKUEC-CYBMUJFWSA-N -1 0 315.373 3.570 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1=Cc2ccccc2OC1 ZINC000474437802 1015359368 /nfs/dbraw/zinc/35/93/68/1015359368.db2.gz ZCVIIXVRKADSSU-UHFFFAOYSA-N -1 0 319.719 3.599 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474436170 1015360253 /nfs/dbraw/zinc/36/02/53/1015360253.db2.gz DPPDPSXSKINUME-ZDUSSCGKSA-N -1 0 315.772 3.861 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc2c1CCC2 ZINC000474436289 1015360540 /nfs/dbraw/zinc/36/05/40/1015360540.db2.gz DBBPDFALDLCLKH-UHFFFAOYSA-N -1 0 305.736 3.926 20 0 DHADRM CCc1ccc([C@@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597513464 988112036 /nfs/dbraw/zinc/11/20/36/988112036.db2.gz VIDXCWGAQAAFHY-SNVBAGLBSA-N -1 0 312.325 3.742 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001589771703 988122924 /nfs/dbraw/zinc/12/29/24/988122924.db2.gz CVQKCJNHQAVNCW-QLFBSQMISA-N -1 0 309.450 3.695 20 0 DHADRM CCc1ccc([C@H]2C[C@H](C)CCN2c2cccc(C(=O)[O-])n2)o1 ZINC001597517435 988132757 /nfs/dbraw/zinc/13/27/57/988132757.db2.gz MTRIABXEKAMPDY-IUODEOHRSA-N -1 0 314.385 3.913 20 0 DHADRM CCc1ccc(C2=CCN(c3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001597518070 988135635 /nfs/dbraw/zinc/13/56/35/988135635.db2.gz QQFJFLQFNSXAQL-UHFFFAOYSA-N -1 0 308.381 3.636 20 0 DHADRM CC(C)(C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589776924 988140262 /nfs/dbraw/zinc/14/02/62/988140262.db2.gz LOHUBTPSXLUVSM-AWEZNQCLSA-N -1 0 320.433 3.574 20 0 DHADRM CCc1ccc(CN(C)C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC001597524672 988163138 /nfs/dbraw/zinc/16/31/38/988163138.db2.gz FQHCIABIBSMJRJ-RAXLEYEMSA-N -1 0 323.392 3.619 20 0 DHADRM CCc1ccc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001597530048 988179233 /nfs/dbraw/zinc/17/92/33/988179233.db2.gz BQFSHLLUQFSBOG-JLTOFOAXSA-N -1 0 324.424 3.611 20 0 DHADRM CSCc1ccc(CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599802385 988197619 /nfs/dbraw/zinc/19/76/19/988197619.db2.gz HOMCQROUAJSUMO-UHFFFAOYSA-N -1 0 322.817 3.908 20 0 DHADRM CSCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001599802365 988197698 /nfs/dbraw/zinc/19/76/98/988197698.db2.gz GKEDZXZMDJOWLT-OAHLLOKOSA-N -1 0 316.378 3.532 20 0 DHADRM CSCc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599803165 988211224 /nfs/dbraw/zinc/21/12/24/988211224.db2.gz NTJAYQVXQZBBKF-VIFPVBQESA-N -1 0 308.428 3.877 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(C(=O)[O-])c1 ZINC001597543079 988237297 /nfs/dbraw/zinc/23/72/97/988237297.db2.gz RMIHDKWRWMBFBL-OCBCSQNSSA-N -1 0 323.392 3.935 20 0 DHADRM CCc1ccc(NC(=O)CSCCC(C)C)c(C(=O)[O-])c1 ZINC001597545469 988247683 /nfs/dbraw/zinc/24/76/83/988247683.db2.gz VKROZYCOGURJEO-UHFFFAOYSA-N -1 0 309.431 3.665 20 0 DHADRM CSc1c(F)cccc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC001599805841 988255306 /nfs/dbraw/zinc/25/53/06/988255306.db2.gz ALOHNBCDFNGQHK-UHFFFAOYSA-N -1 0 324.329 3.504 20 0 DHADRM CSc1cc(C)ccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC001599806970 988271919 /nfs/dbraw/zinc/27/19/19/988271919.db2.gz GMOSDWKGICYREZ-UHFFFAOYSA-N -1 0 317.410 3.792 20 0 DHADRM CSc1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)ccc1F ZINC001599807206 988275114 /nfs/dbraw/zinc/27/51/14/988275114.db2.gz KASFPUPDFLIHMK-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1cc(C(=O)Nc2cccc(F)c2C(=O)[O-])ccc1F ZINC001599807284 988276297 /nfs/dbraw/zinc/27/62/97/988276297.db2.gz MERWJGSFLOLZHI-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CSc1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599810102 988319097 /nfs/dbraw/zinc/31/90/97/988319097.db2.gz FYMAZZQJQBADRS-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CCc1ccc2c(c1)CCN(c1ncc(C(=O)[O-])cc1Cl)C2 ZINC001597568432 988325389 /nfs/dbraw/zinc/32/53/89/988325389.db2.gz FMVOFOURVPEVBG-UHFFFAOYSA-N -1 0 316.788 3.558 20 0 DHADRM CCc1ccc2occ(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c2c1 ZINC001597570490 988345484 /nfs/dbraw/zinc/34/54/84/988345484.db2.gz LLEGQPNZRCVBQJ-HNNXBMFYSA-N -1 0 317.385 3.567 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001599812006 988353752 /nfs/dbraw/zinc/35/37/52/988353752.db2.gz DYAFLZNNZHXLDP-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599812271 988357293 /nfs/dbraw/zinc/35/72/93/988357293.db2.gz KGPWDRCIQCMJGM-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1ccc(Cl)c(NCc2ccc(C(=O)[O-])cn2)c1 ZINC001599814425 988395987 /nfs/dbraw/zinc/39/59/87/988395987.db2.gz KCRUUIRLFVQQFF-UHFFFAOYSA-N -1 0 308.790 3.767 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(CF)cc1 ZINC001597590663 988414057 /nfs/dbraw/zinc/41/40/57/988414057.db2.gz CRQUBAPTEYUXIZ-UHFFFAOYSA-N -1 0 301.317 3.669 20 0 DHADRM CCc1cccc(NC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001597595668 988444631 /nfs/dbraw/zinc/44/46/31/988444631.db2.gz WNEQMAXHCULMOA-UHFFFAOYSA-N -1 0 304.371 3.961 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC001599817289 988448480 /nfs/dbraw/zinc/44/84/80/988448480.db2.gz JGAIGBWKPIQVDC-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CSc1ccc(NC(=O)N[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC001599818443 988468937 /nfs/dbraw/zinc/46/89/37/988468937.db2.gz SSNBPTUKWRBUFJ-SNVBAGLBSA-N -1 0 310.419 3.663 20 0 DHADRM CCc1ccccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597609876 988501226 /nfs/dbraw/zinc/50/12/26/988501226.db2.gz XKJJZRYDMCSGNR-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CSc1ccc(NC2C[C@H]3CC[C@@H](C2)S3)cc1C(=O)[O-] ZINC001599820610 988506550 /nfs/dbraw/zinc/50/65/50/988506550.db2.gz DZZGNLKMPQOPGI-YOGCLGLASA-N -1 0 309.456 3.945 20 0 DHADRM CSc1ccc(NCCc2ccc(F)cc2)cc1C(=O)[O-] ZINC001599820956 988512105 /nfs/dbraw/zinc/51/21/05/988512105.db2.gz QWPXBXNZTDFCBQ-UHFFFAOYSA-N -1 0 305.374 3.900 20 0 DHADRM CSc1cccc(F)c1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599823957 988563891 /nfs/dbraw/zinc/56/38/91/988563891.db2.gz LEICULVFUOFCEO-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1cccc(NC(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC001599824461 988573240 /nfs/dbraw/zinc/57/32/40/988573240.db2.gz AKPHFOYDCHEVCE-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1cnccc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597635296 988614392 /nfs/dbraw/zinc/61/43/92/988614392.db2.gz WLFKPBWPDDYTON-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599835494 988735970 /nfs/dbraw/zinc/73/59/70/988735970.db2.gz WQHVKHHEXLKNTQ-NSHDSACASA-N -1 0 307.365 3.613 20 0 DHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1Cl ZINC001599840493 988818561 /nfs/dbraw/zinc/81/85/61/988818561.db2.gz CCEMAROSZHOXSY-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM Cc1ccc(F)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013255994 1015425732 /nfs/dbraw/zinc/42/57/32/1015425732.db2.gz PWTVTISYXSXIDE-GOSISDBHSA-N -1 0 315.344 3.505 20 0 DHADRM CCc1nc2ccc(NCc3cc(C(=O)[O-])co3)cc2s1 ZINC001597690707 988873324 /nfs/dbraw/zinc/87/33/24/988873324.db2.gz GORGUFLGBKRPCM-UHFFFAOYSA-N -1 0 302.355 3.762 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)c2cc3ccccc3s2)cc1 ZINC000013317157 1015434743 /nfs/dbraw/zinc/43/47/43/1015434743.db2.gz WNWGSDJZLLZRQC-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001599847559 988958953 /nfs/dbraw/zinc/95/89/53/988958953.db2.gz QRBXJYLBQFQXAL-BFUOFWGJSA-N -1 0 317.429 3.648 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)CC(F)(F)F ZINC001597767624 989223647 /nfs/dbraw/zinc/22/36/47/989223647.db2.gz AONMDHSHMRGLNI-UHFFFAOYSA-N -1 0 322.279 3.562 20 0 DHADRM CCc1oc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC001597791326 989321775 /nfs/dbraw/zinc/32/17/75/989321775.db2.gz MGIYUHVDYOCJFS-IZZDOVSWSA-N -1 0 317.728 3.686 20 0 DHADRM CCc1oc(CN2C[C@@H](C)Oc3ccc(C)cc32)cc1C(=O)[O-] ZINC001597795943 989350748 /nfs/dbraw/zinc/35/07/48/989350748.db2.gz HMWDGBATXBVUQP-GFCCVEGCSA-N -1 0 315.369 3.636 20 0 DHADRM CCn1c(C(=O)Oc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001597839992 989534734 /nfs/dbraw/zinc/53/47/34/989534734.db2.gz LIICGPKAEYBBGF-UHFFFAOYSA-N -1 0 309.321 3.579 20 0 DHADRM CCn1ccc(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001597904793 989789607 /nfs/dbraw/zinc/78/96/07/989789607.db2.gz QGOHLVDYASVNCH-HNNXBMFYSA-N -1 0 324.783 3.558 20 0 DHADRM CC(C)(C)OCCCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001590382108 989897917 /nfs/dbraw/zinc/89/79/17/989897917.db2.gz LFKWJEHKLWQDHF-AWEZNQCLSA-N -1 0 305.418 3.660 20 0 DHADRM CC(C)(C)Oc1c(F)cc(NC2CC(CC(=O)[O-])C2)cc1F ZINC001590407867 989938169 /nfs/dbraw/zinc/93/81/69/989938169.db2.gz KLSOYIUGHARYFB-UHFFFAOYSA-N -1 0 313.344 3.807 20 0 DHADRM CC(C)(C)c1cc(CN2C[C@H](CC(=O)[O-])c3ccccc32)no1 ZINC001590464073 990039674 /nfs/dbraw/zinc/03/96/74/990039674.db2.gz VJKGDUNZAOFGIX-LBPRGKRZSA-N -1 0 314.385 3.551 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001590484743 990080276 /nfs/dbraw/zinc/08/02/76/990080276.db2.gz FENGQBAOSMGVBV-UHFFFAOYSA-N -1 0 317.410 3.925 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590494145 990099497 /nfs/dbraw/zinc/09/94/97/990099497.db2.gz UTZFSOZMMXCNSL-STQMWFEESA-N -1 0 304.386 3.781 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001590498536 990108084 /nfs/dbraw/zinc/10/80/84/990108084.db2.gz AUHZFGOSGVIAQF-CHWSQXEVSA-N -1 0 304.386 3.781 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590505616 990121352 /nfs/dbraw/zinc/12/13/52/990121352.db2.gz LXJFAEZDYPTTJU-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598003597 990143725 /nfs/dbraw/zinc/14/37/25/990143725.db2.gz ITRGFNFNQXDKDG-BARDWOONSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)(C)c1nc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])co1 ZINC001590537862 990158568 /nfs/dbraw/zinc/15/85/68/990158568.db2.gz ZCIPOYCQRSRRIH-UHFFFAOYSA-N -1 0 323.732 3.543 20 0 DHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001598036157 990263163 /nfs/dbraw/zinc/26/31/63/990263163.db2.gz GFODSOMWAWABAH-UHFFFAOYSA-N -1 0 319.360 3.744 20 0 DHADRM CCCN(C(=O)Nc1cccc(C(F)F)c1)[C@@H](CC)C(=O)[O-] ZINC000581922054 1015551575 /nfs/dbraw/zinc/55/15/75/1015551575.db2.gz FOEFNPFZUYHNNK-LBPRGKRZSA-N -1 0 314.332 3.731 20 0 DHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C1CC1 ZINC001590620684 990297263 /nfs/dbraw/zinc/29/72/63/990297263.db2.gz DCDPMOANQFMUCV-CQSZACIVSA-N -1 0 323.820 3.798 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@@H]1CCc2c1cccc2Cl ZINC001590637679 990328155 /nfs/dbraw/zinc/32/81/55/990328155.db2.gz RTCAYMALKNMVSY-CYBMUJFWSA-N -1 0 310.777 3.762 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)cnc1Cl ZINC000085235501 1015555897 /nfs/dbraw/zinc/55/58/97/1015555897.db2.gz LITAFVUWHPINCF-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598089746 990432084 /nfs/dbraw/zinc/43/20/84/990432084.db2.gz YRIIZIBACYNKNC-HUUCEWRRSA-N -1 0 303.402 3.672 20 0 DHADRM CC(C)(CNC(=O)/C=C/c1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001590707976 990456630 /nfs/dbraw/zinc/45/66/30/990456630.db2.gz MIVGMIMPWKOABQ-CMDGGOBGSA-N -1 0 319.401 3.714 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccc2Cl)nc1 ZINC000581949018 1015580055 /nfs/dbraw/zinc/58/00/55/1015580055.db2.gz KHBXOSQFYOIAHW-INIZCTEOSA-N -1 0 316.788 3.770 20 0 DHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001590854648 990735337 /nfs/dbraw/zinc/73/53/37/990735337.db2.gz DQFBERFMABSJBH-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])s1)c1cccs1 ZINC001590855893 990742934 /nfs/dbraw/zinc/74/29/34/990742934.db2.gz PKRAGGNAEZEAHU-UHFFFAOYSA-N -1 0 310.400 3.565 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1(C)C ZINC001590915641 990905296 /nfs/dbraw/zinc/90/52/96/990905296.db2.gz ZKRKZWHZWWOYOD-CABCVRRESA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001590922007 990916466 /nfs/dbraw/zinc/91/64/66/990916466.db2.gz QJJJUPPZDDHJFD-HNNXBMFYSA-N -1 0 324.465 3.846 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001590922077 990917028 /nfs/dbraw/zinc/91/70/28/990917028.db2.gz SWVLJCOIBBMVPP-GFCCVEGCSA-N -1 0 322.380 3.709 20 0 DHADRM CC(C)[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590957286 991038468 /nfs/dbraw/zinc/03/84/68/991038468.db2.gz LMKQIMGTOHNMAF-KRWDZBQOSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)[C@H](C)N(C(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001590969550 991097124 /nfs/dbraw/zinc/09/71/24/991097124.db2.gz FPFPHVINLXUIJR-LBPRGKRZSA-N -1 0 301.342 3.669 20 0 DHADRM CC(C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001590970200 991100470 /nfs/dbraw/zinc/10/04/70/991100470.db2.gz PYPGCXITHWSPJR-BXKDBHETSA-N -1 0 318.291 3.666 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001590970190 991100746 /nfs/dbraw/zinc/10/07/46/991100746.db2.gz PJOPIKMSIPTURQ-SSDOTTSWSA-N -1 0 304.173 3.922 20 0 DHADRM COc1cccc2ncnc(Nc3cccc([C@@H](C)C(=O)[O-])c3)c21 ZINC001599693679 991113098 /nfs/dbraw/zinc/11/30/98/991113098.db2.gz SIFCAQSDBZGZMY-LLVKDONJSA-N -1 0 323.352 3.570 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001590980804 991133978 /nfs/dbraw/zinc/13/39/78/991133978.db2.gz KKEYEYXHSYQBCK-USXIJHARSA-N -1 0 323.477 3.798 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001590980802 991134174 /nfs/dbraw/zinc/13/41/74/991134174.db2.gz KJDFBDBQWWIYMX-QOKNQOGYSA-N -1 0 323.477 3.798 20 0 DHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CC1CCCCCC1 ZINC001598293706 991211235 /nfs/dbraw/zinc/21/12/35/991211235.db2.gz OGODUGBZOKZLKW-UHFFFAOYSA-N -1 0 318.417 3.750 20 0 DHADRM CC(C)[C@@H](F)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001590995618 991220565 /nfs/dbraw/zinc/22/05/65/991220565.db2.gz CFBMWJUVLHXBGW-SNVBAGLBSA-N -1 0 308.136 3.624 20 0 DHADRM CC(C)[C@@H](F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001590996195 991226890 /nfs/dbraw/zinc/22/68/90/991226890.db2.gz KTZAJZMAOARLFN-GOEBONIOSA-N -1 0 323.408 3.610 20 0 DHADRM CC(C)[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024051 991311351 /nfs/dbraw/zinc/31/13/51/991311351.db2.gz HKBZIZZFFLGCCI-LSDHHAIUSA-N -1 0 307.390 4.000 20 0 DHADRM COc1ccccc1N(Cc1cc(C(=O)[O-])ccc1F)C(C)C ZINC001599712318 991392733 /nfs/dbraw/zinc/39/27/33/991392733.db2.gz AQIOIMUYCFDYOG-UHFFFAOYSA-N -1 0 317.360 3.948 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001591061095 991496620 /nfs/dbraw/zinc/49/66/20/991496620.db2.gz CZVLTCPYOUPCKT-RDTXWAMCSA-N -1 0 312.369 3.554 20 0 DHADRM CC(C)C1CCC(CNC(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001591079872 991576859 /nfs/dbraw/zinc/57/68/59/991576859.db2.gz LZVFEGFYTVIIJY-UHFFFAOYSA-N -1 0 317.429 3.506 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001591088660 991623553 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C[C@H](c1ccccc1Cl)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001593712593 996215345 /nfs/dbraw/zinc/21/53/45/996215345.db2.gz DEWWFNAAOFCHSI-SECBINFHSA-N -1 0 310.806 3.688 20 0 DHADRM C[C@H](c1ccccc1F)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593717273 996234966 /nfs/dbraw/zinc/23/49/66/996234966.db2.gz IVJNDQULEWSMJP-LLVKDONJSA-N -1 0 317.335 3.782 20 0 DHADRM C[C@H](c1nc(C(=O)[O-])co1)N(C)Cc1csc2ccccc12 ZINC001593725911 996285102 /nfs/dbraw/zinc/28/51/02/996285102.db2.gz WDLYLXPXRVFFRH-SNVBAGLBSA-N -1 0 316.382 3.781 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)c2ccc(F)cc21 ZINC001593732773 996315452 /nfs/dbraw/zinc/31/54/52/996315452.db2.gz YYWNEJYCDQXKRM-SECBINFHSA-N -1 0 320.389 3.839 20 0 DHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)c2ccc(F)cc21 ZINC001593732774 996315536 /nfs/dbraw/zinc/31/55/36/996315536.db2.gz YYWNEJYCDQXKRM-VIFPVBQESA-N -1 0 320.389 3.839 20 0 DHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCCC[C@@H]1C(F)(F)F ZINC001593737395 996334701 /nfs/dbraw/zinc/33/47/01/996334701.db2.gz 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1016036238 /nfs/dbraw/zinc/03/62/38/1016036238.db2.gz RQTRJQUXLLLPOW-UHFFFAOYSA-N -1 0 314.385 3.736 20 0 DHADRM Cc1c(-c2cc(C)ccc2C2(C(=O)[O-])CCCCC2)cnn1C ZINC000657206132 1016036337 /nfs/dbraw/zinc/03/63/37/1016036337.db2.gz ODGOUBJZHVPYAX-UHFFFAOYSA-N -1 0 312.413 3.990 20 0 DHADRM Cn1nc(C(F)(F)F)cc1-c1ccccc1CCCC(=O)[O-] ZINC000657206032 1016036490 /nfs/dbraw/zinc/03/64/90/1016036490.db2.gz XKQCNDTZJVRAMI-UHFFFAOYSA-N -1 0 312.291 3.513 20 0 DHADRM COCCc1cccc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])c1 ZINC000657205154 1016037672 /nfs/dbraw/zinc/03/76/72/1016037672.db2.gz ISYPWCBASRNHFO-AWEZNQCLSA-N -1 0 314.381 3.703 20 0 DHADRM COCc1cc(-c2csc(CCC(=O)[O-])c2)ccc1OC ZINC000657204464 1016037938 /nfs/dbraw/zinc/03/79/38/1016037938.db2.gz SVLVQZCXNCDOKL-UHFFFAOYSA-N -1 0 306.383 3.587 20 0 DHADRM COCCCOc1ccc(-c2cc(F)ccc2CC(=O)[O-])cc1 ZINC000657206883 1016043258 /nfs/dbraw/zinc/04/32/58/1016043258.db2.gz BZPKJFKINGHXMO-UHFFFAOYSA-N -1 0 318.344 3.535 20 0 DHADRM 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CC1(C)CCC[C@](NC(=O)c2sccc2C2CC2)(C(=O)[O-])C1 ZINC001593896137 996751470 /nfs/dbraw/zinc/75/14/70/996751470.db2.gz QFZARGCAQZPTFW-QGZVFWFLSA-N -1 0 321.442 3.779 20 0 DHADRM CC1(C)CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593904671 996782456 /nfs/dbraw/zinc/78/24/56/996782456.db2.gz IMNISVPPKFBSSA-SNVBAGLBSA-N -1 0 310.781 3.588 20 0 DHADRM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2)[C@H]1c1cccs1 ZINC001593940440 996948956 /nfs/dbraw/zinc/94/89/56/996948956.db2.gz LBNALDJBBHABOF-GJZGRUSLSA-N -1 0 301.411 3.957 20 0 DHADRM CC1(C)CN([C@@H](C(=O)[O-])c2ccsc2)Cc2ccccc2O1 ZINC001593940518 996950368 /nfs/dbraw/zinc/95/03/68/996950368.db2.gz MEXIGCJWNZKPCU-OAHLLOKOSA-N -1 0 317.410 3.547 20 0 DHADRM CC1(C)CN(Cc2ncc(C(=O)[O-])s2)c2cccc(Cl)c21 ZINC001593944868 996982788 /nfs/dbraw/zinc/98/27/88/996982788.db2.gz KDJVEWJLZFCJDS-UHFFFAOYSA-N -1 0 322.817 3.793 20 0 DHADRM COCc1cc(NC[C@@H]2CCc3ccccc32)cc(C(=O)[O-])c1 ZINC001599289478 997039773 /nfs/dbraw/zinc/03/97/73/997039773.db2.gz 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C[C@]1(F)CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001594045171 997698196 /nfs/dbraw/zinc/69/81/96/997698196.db2.gz OVMITJQATWAWLP-OCCSQVGLSA-N -1 0 320.191 3.943 20 0 DHADRM COc1c(C)cc(C(=O)Nc2sc(C)cc2C(=O)[O-])cc1C ZINC001599330667 997742360 /nfs/dbraw/zinc/74/23/60/997742360.db2.gz AEIRFWQTPSDNPJ-UHFFFAOYSA-N -1 0 319.382 3.632 20 0 DHADRM COc1cc(NC(=O)CCCCC(C)C)c(C(=O)[O-])cc1OC ZINC001599431792 997772427 /nfs/dbraw/zinc/77/24/27/997772427.db2.gz URSIEQKVCRQJCK-UHFFFAOYSA-N -1 0 323.389 3.557 20 0 DHADRM COc1cc(NCc2cnc3ccccc3c2)ccc1C(=O)[O-] ZINC001599443573 997970762 /nfs/dbraw/zinc/97/07/62/997970762.db2.gz JDCVELYUAAKHQN-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM COc1c(S[C@H](C)c2ccc(Cl)cc2)ncnc1C(=O)[O-] ZINC001599344380 997977081 /nfs/dbraw/zinc/97/70/81/997977081.db2.gz HBVGUVORQWJLGA-MRVPVSSYSA-N -1 0 324.789 3.690 20 0 DHADRM COc1cc(OC)cc([C@H](Sc2cccc(C)c2)C(=O)[O-])c1 ZINC001599452162 998123312 /nfs/dbraw/zinc/12/33/12/998123312.db2.gz XPGLPAYELVLABS-INIZCTEOSA-N -1 0 318.394 3.930 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)CC1 ZINC001594108372 998179450 /nfs/dbraw/zinc/17/94/50/998179450.db2.gz JLSGYYYCHOPIIE-KRWDZBQOSA-N -1 0 315.413 3.626 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)NC2(CCC(=O)[O-])CCCCC2)CC1 ZINC001594108918 998186711 /nfs/dbraw/zinc/18/67/11/998186711.db2.gz CGZDJVDPIPJPER-HNNXBMFYSA-N -1 0 307.434 3.807 20 0 DHADRM COc1cc(OCc2cccc(F)c2Cl)ccc1C(=O)[O-] ZINC001599456863 998202564 /nfs/dbraw/zinc/20/25/64/998202564.db2.gz LDVMDVAQESDIBO-UHFFFAOYSA-N -1 0 310.708 3.765 20 0 DHADRM COc1cc(OCc2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC001599456938 998203633 /nfs/dbraw/zinc/20/36/33/998203633.db2.gz PDAPKRDPGCVSAK-UHFFFAOYSA-N -1 0 310.708 3.765 20 0 DHADRM Cc1cc([C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(=O)[O-])ccc1F ZINC001594110739 998213482 /nfs/dbraw/zinc/21/34/82/998213482.db2.gz YIHDMJDSJYJROW-GDBMZVCRSA-N -1 0 319.376 3.513 20 0 DHADRM Cc1cc([C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(=O)[O-])ccc1F ZINC001594110740 998213867 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COC(=O)c1ccc(S[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001598987462 998707942 /nfs/dbraw/zinc/70/79/42/998707942.db2.gz FOQXNFUZZZHFGV-VIFPVBQESA-N -1 0 306.339 3.618 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OCC1CC1 ZINC001594184271 998714046 /nfs/dbraw/zinc/71/40/46/998714046.db2.gz IAJYQSCXHSRJCN-YUELXQCFSA-N -1 0 303.402 3.777 20 0 DHADRM O=C([N-]C(CF)CF)C(F)(F)c1cccc(Cl)c1Cl ZINC000843601559 1016245894 /nfs/dbraw/zinc/24/58/94/1016245894.db2.gz XIBWERCLBFGMCT-UHFFFAOYSA-N -1 0 318.097 3.509 20 0 DHADRM COC(=O)c1cccc([C@H](Sc2ccccc2C)C(=O)[O-])c1 ZINC001598992902 998753342 /nfs/dbraw/zinc/75/33/42/998753342.db2.gz MASWAWVUVWPWHN-HNNXBMFYSA-N -1 0 316.378 3.700 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594213857 998824564 /nfs/dbraw/zinc/82/45/64/998824564.db2.gz GTCXVEPJOIUJCH-ZIAGYGMSSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1CC(C)(C)N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001594216370 998832501 /nfs/dbraw/zinc/83/25/01/998832501.db2.gz FRXWPSSIJZEJDW-HZSPNIEDSA-N -1 0 315.413 3.806 20 0 DHADRM C[C@@H]1CC(C)(C)N(C(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001594216683 998832809 /nfs/dbraw/zinc/83/28/09/998832809.db2.gz GZQFWFGANYEFCR-LLVKDONJSA-N -1 0 313.353 3.910 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001594218997 998840479 /nfs/dbraw/zinc/84/04/79/998840479.db2.gz AHEMTKHLVWMYJE-DLTWYDFYSA-N -1 0 317.429 3.561 20 0 DHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594219093 998840961 /nfs/dbraw/zinc/84/09/61/998840961.db2.gz CPKZQDBVFOPTQL-GMTAPVOTSA-N -1 0 309.793 3.545 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@@H](C)C1 ZINC001594222150 998855136 /nfs/dbraw/zinc/85/51/36/998855136.db2.gz ARPGRWAIJYSSBY-GDNZZTSVSA-N -1 0 322.380 3.718 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccc(CC(=O)[O-])cc2)C[C@@H](C)C1 ZINC001594222820 998858658 /nfs/dbraw/zinc/85/86/58/998858658.db2.gz JKJLYCZQEJPBNA-NHAGDIPZSA-N -1 0 318.417 3.508 20 0 DHADRM C[C@H]1C[C@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)C[C@@H](C)C1 ZINC001594223350 998861628 /nfs/dbraw/zinc/86/16/28/998861628.db2.gz UTKAODVZKSTGER-FICVDOATSA-N -1 0 324.465 3.536 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)(C)C1 ZINC001594233118 998889010 /nfs/dbraw/zinc/88/90/10/998889010.db2.gz UTUDXPVMCHWMCX-KGLIPLIRSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1C[C@H](CCNC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594235441 998895775 /nfs/dbraw/zinc/89/57/75/998895775.db2.gz HFEVADYDMXWYMW-NEPJUHHUSA-N -1 0 307.390 3.560 20 0 DHADRM C[C@@H]1C[C@H](COc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001594241897 998917442 /nfs/dbraw/zinc/91/74/42/998917442.db2.gz BAALXJWAPPCRAS-ZIAGYGMSSA-N -1 0 314.381 3.661 20 0 DHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014255754 1016274606 /nfs/dbraw/zinc/27/46/06/1016274606.db2.gz QFSDZLHMMNRLKM-UHFFFAOYSA-N -1 0 311.353 3.889 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594270566 999045808 /nfs/dbraw/zinc/04/58/08/999045808.db2.gz WJWFWSATOUSGGT-GUYCJALGSA-N -1 0 309.365 3.608 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594270567 999045824 /nfs/dbraw/zinc/04/58/24/999045824.db2.gz WJWFWSATOUSGGT-SUMWQHHRSA-N -1 0 309.365 3.608 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594270631 999046174 /nfs/dbraw/zinc/04/61/74/999046174.db2.gz XORZPEDHCACRGT-RDTXWAMCSA-N -1 0 323.392 3.537 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001594275590 999066462 /nfs/dbraw/zinc/06/64/62/999066462.db2.gz ULZPKQKGXZFQMJ-ONGXEEELSA-N -1 0 301.367 3.708 20 0 DHADRM C[C@@H]1CC/C(=C/C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)C1 ZINC001594290885 999120428 /nfs/dbraw/zinc/12/04/28/999120428.db2.gz BKRXCEAQEACFTA-URLRMUCDSA-N -1 0 322.430 3.824 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)N(C)C(C)(C)CC(=O)[O-])C1(C)C ZINC001594295397 999136306 /nfs/dbraw/zinc/13/63/06/999136306.db2.gz AZUDFIRDQNPCDR-VXOIDTSYSA-N -1 0 309.450 3.717 20 0 DHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccsc1C(=O)[O-] ZINC001594298073 999150362 /nfs/dbraw/zinc/15/03/62/999150362.db2.gz GATQYIIKLLYBDR-UPJWGTAASA-N -1 0 323.458 3.885 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)O[C@@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC001594329274 999265286 /nfs/dbraw/zinc/26/52/86/999265286.db2.gz VQKHMGSGONCJOH-IJLUTSLNSA-N -1 0 308.399 3.597 20 0 DHADRM CC1CCC(c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)CC1 ZINC001594330141 999268847 /nfs/dbraw/zinc/26/88/47/999268847.db2.gz KDDSIWSEUPEXGL-UHFFFAOYSA-N -1 0 304.390 3.650 20 0 DHADRM C[C@H]1CCC[C@@H](CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)C1 ZINC001594344656 999303558 /nfs/dbraw/zinc/30/35/58/999303558.db2.gz HFDMFNBIKAZEKJ-VHSXEESVSA-N -1 0 310.781 3.588 20 0 DHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1)C(C)C ZINC000684724158 1016303033 /nfs/dbraw/zinc/30/30/33/1016303033.db2.gz CQKLXORLHSKHPA-CVEARBPZSA-N -1 0 320.433 3.669 20 0 DHADRM C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001594352727 999335978 /nfs/dbraw/zinc/33/59/78/999335978.db2.gz OCQSSTNFAYVJLU-WWGRRREGSA-N -1 0 304.386 3.685 20 0 DHADRM C[C@@H]1CCC[C@H](OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)[C@H]1C ZINC001594352847 999336758 /nfs/dbraw/zinc/33/67/58/999336758.db2.gz SAYHAGAWBWQEFJ-WYKAVVPESA-N -1 0 316.397 3.613 20 0 DHADRM C[C@@H]1CCC[C@H](OCc2nc(-c3cccc(C(=O)[O-])c3)no2)C1 ZINC001594355200 999340751 /nfs/dbraw/zinc/34/07/51/999340751.db2.gz IYNYXFOSYNSZQD-RISCZKNCSA-N -1 0 316.357 3.530 20 0 DHADRM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594356971 999349661 /nfs/dbraw/zinc/34/96/61/999349661.db2.gz HAKZXJOENQIMLO-ZMZPIMSZSA-N -1 0 312.369 3.698 20 0 DHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594360359 999362649 /nfs/dbraw/zinc/36/26/49/999362649.db2.gz UOINIHANCDZHJQ-GXTWGEPZSA-N -1 0 321.442 3.769 20 0 DHADRM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594363279 999371257 /nfs/dbraw/zinc/37/12/57/999371257.db2.gz BZPPUOVZLJUZKN-DTWKUNHWSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc21 ZINC001594396452 999493872 /nfs/dbraw/zinc/49/38/72/999493872.db2.gz YCYWPAONVGLEEF-XYJCDUHRSA-N -1 0 313.397 3.562 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)[C@H]1C ZINC001594403065 999511540 /nfs/dbraw/zinc/51/15/40/999511540.db2.gz POGRPFXGGZIBKQ-NEPJUHHUSA-N -1 0 312.369 3.800 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1(C)C ZINC001594404625 999514647 /nfs/dbraw/zinc/51/46/47/999514647.db2.gz CPWQXPVFXUFWRM-CYBMUJFWSA-N -1 0 318.417 3.604 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC12CCC2 ZINC001594405095 999516441 /nfs/dbraw/zinc/51/64/41/999516441.db2.gz JIOCVAHRCDBTBH-LLVKDONJSA-N -1 0 320.364 3.568 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C[C@@H]1C ZINC001594406518 999522563 /nfs/dbraw/zinc/52/25/63/999522563.db2.gz YYPGOXOKMGSHEU-ZJUUUORDSA-N -1 0 322.430 3.834 20 0 DHADRM C[C@@H]1CCN(C)c2ccccc2N1Cc1ccccc1CC(=O)[O-] ZINC001594421949 999572083 /nfs/dbraw/zinc/57/20/83/999572083.db2.gz IJJQXPOASQWPGF-OAHLLOKOSA-N -1 0 324.424 3.549 20 0 DHADRM Cc1cc(Nc2ccnn2-c2ccccc2F)cc(C(=O)[O-])c1 ZINC001211539136 1016337537 /nfs/dbraw/zinc/33/75/37/1016337537.db2.gz HOQALVOBNCQEOB-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM CC(=O)c1oc2cccnc2c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539417 1016345926 /nfs/dbraw/zinc/34/59/26/1016345926.db2.gz VYBCPLNDAZKWIH-UHFFFAOYSA-N -1 0 310.309 3.781 20 0 DHADRM Cc1cc(Nc2nc(Cl)c(Cl)cc2N)cc(C(=O)[O-])c1 ZINC001211539403 1016348172 /nfs/dbraw/zinc/34/81/72/1016348172.db2.gz VLIYHWUOTDSKIF-UHFFFAOYSA-N -1 0 312.156 3.721 20 0 DHADRM CCC[C@H](C)NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000684760511 1016390673 /nfs/dbraw/zinc/39/06/73/1016390673.db2.gz TZIKISFUUQNBMG-ZETCQYMHSA-N -1 0 314.209 3.599 20 0 DHADRM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c(C)n1 ZINC000622425510 1016404230 /nfs/dbraw/zinc/40/42/30/1016404230.db2.gz FNAFKNYVALCTQJ-UHFFFAOYSA-N -1 0 310.275 3.675 20 0 DHADRM O=C(c1cc(O)ccc1Cl)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000342443303 1016472178 /nfs/dbraw/zinc/47/21/78/1016472178.db2.gz VDZQEOVFDNAHQT-UONOGXRCSA-N -1 0 311.834 3.546 20 0 DHADRM O=C(Nc1ccn2ccnc2c1)c1c([O-])cc(Cl)cc1Cl ZINC000684820716 1016583734 /nfs/dbraw/zinc/58/37/34/1016583734.db2.gz FZHZURABXVFDAZ-UHFFFAOYSA-N -1 0 322.151 3.599 20 0 DHADRM Cc1cc(Nc2ccc3nc(C4CCC4)nn3c2)cc(C(=O)[O-])c1 ZINC001211542150 1016618448 /nfs/dbraw/zinc/61/84/48/1016618448.db2.gz AOUKWWPUTBEIDQ-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634819638 1016642578 /nfs/dbraw/zinc/64/25/78/1016642578.db2.gz YALVPZBZZRIGBW-UHFFFAOYSA-N -1 0 315.822 3.891 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172172205 1016650732 /nfs/dbraw/zinc/65/07/32/1016650732.db2.gz HUIABDKYVLWVME-GFCCVEGCSA-N -1 0 317.389 3.575 20 0 DHADRM Cc1cc(NC(=O)C2(c3ccccc3)CC2)cc(C(=O)[O-])c1C ZINC000336868633 1016730138 /nfs/dbraw/zinc/73/01/38/1016730138.db2.gz VDHHEICCUOBRLS-UHFFFAOYSA-N -1 0 309.365 3.672 20 0 DHADRM CC1(C(=O)[O-])CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000062843783 1016744136 /nfs/dbraw/zinc/74/41/36/1016744136.db2.gz YFWRXEUVIHSCHT-UHFFFAOYSA-N -1 0 304.777 3.579 20 0 DHADRM CCC(C)(C)N(C)C(=O)Nc1c(Cl)cc(C)cc1C(=O)[O-] ZINC000684894603 1016842484 /nfs/dbraw/zinc/84/24/84/1016842484.db2.gz DFZHJWXINLIDKV-UHFFFAOYSA-N -1 0 312.797 3.999 20 0 DHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000684895165 1016850321 /nfs/dbraw/zinc/85/03/21/1016850321.db2.gz PSGQFMSIPFFTMY-GFCCVEGCSA-N -1 0 306.406 3.602 20 0 DHADRM COc1ccc2cccnc2c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211549557 1016958732 /nfs/dbraw/zinc/95/87/32/1016958732.db2.gz NCUFMPFKKBBQKI-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc3ncccc3c2)cc1 ZINC000325053926 1016999312 /nfs/dbraw/zinc/99/93/12/1016999312.db2.gz UUAAQDZTYPLQBJ-YHYXMXQVSA-N -1 0 318.332 3.585 20 0 DHADRM COC(=O)[C@@H](C)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211550174 1017006683 /nfs/dbraw/zinc/00/66/83/1017006683.db2.gz VQNKSNMATMXBER-LBPRGKRZSA-N -1 0 313.353 3.713 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000634826126 1017048642 /nfs/dbraw/zinc/04/86/42/1017048642.db2.gz OHXTWAOUGJYECX-RKDXNWHRSA-N -1 0 317.719 3.717 20 0 DHADRM C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1cc(F)ccc1O ZINC000362008826 1032191787 /nfs/dbraw/zinc/19/17/87/1032191787.db2.gz IIYIBGXWIONCGQ-QWRGUYRKSA-N -1 0 305.374 3.611 20 0 DHADRM O=C(COC1CCCC1)Nc1c(Cl)ccc([O-])c1Cl ZINC001146766182 1032244738 /nfs/dbraw/zinc/24/47/38/1032244738.db2.gz NCRWLEKCJWYVDK-UHFFFAOYSA-N -1 0 304.173 3.597 20 0 DHADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000213404835 1032255937 /nfs/dbraw/zinc/25/59/37/1032255937.db2.gz ZZPVUGZAYCBQHF-BSFVXNEUSA-N -1 0 318.200 3.697 20 0 DHADRM O=C(Nc1cncc2c1CCCC2)c1cc(Cl)ccc1[O-] ZINC001147248677 1032289828 /nfs/dbraw/zinc/28/98/28/1032289828.db2.gz UKMFTHGCCOMBAC-UHFFFAOYSA-N -1 0 302.761 3.572 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc[nH]c1=S ZINC001147680599 1032329764 /nfs/dbraw/zinc/32/97/64/1032329764.db2.gz QRAYIVGFAKUFNV-UHFFFAOYSA-N -1 0 319.436 3.521 20 0 DHADRM Cc1ccc(CC2CN(C(=O)c3ccc(Cl)c([O-])c3)C2)cc1 ZINC001147715270 1032334418 /nfs/dbraw/zinc/33/44/18/1032334418.db2.gz PBIDXGGLTIOCBK-UHFFFAOYSA-N -1 0 315.800 3.669 20 0 DHADRM O=C(Nc1ccsc1)c1cc(Br)cc(F)c1[O-] ZINC001147763708 1032337157 /nfs/dbraw/zinc/33/71/57/1032337157.db2.gz GOGQGZBRLVNBSG-UHFFFAOYSA-N -1 0 316.151 3.608 20 0 DHADRM Cc1cc(C(=O)Nc2ccccc2[S-])n(-c2ccccc2)n1 ZINC001147854738 1032349385 /nfs/dbraw/zinc/34/93/85/1032349385.db2.gz LTNQDRAGVJMFNB-UHFFFAOYSA-N -1 0 309.394 3.722 20 0 DHADRM CC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC001148375871 1032391588 /nfs/dbraw/zinc/39/15/88/1032391588.db2.gz VZWCKWKZEXYQSO-GFCCVEGCSA-N -1 0 301.308 3.575 20 0 DHADRM O=C(Nc1cccc2c1COC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812263 1032445520 /nfs/dbraw/zinc/44/55/20/1032445520.db2.gz UXBHJVITMJBOFA-UHFFFAOYSA-N -1 0 324.163 3.982 20 0 DHADRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811030 1032446162 /nfs/dbraw/zinc/44/61/62/1032446162.db2.gz CYEKDILKXCHVPO-GHMZBOCLSA-N -1 0 306.164 3.710 20 0 DHADRM O=C(NC1(c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812621 1032446394 /nfs/dbraw/zinc/44/63/94/1032446394.db2.gz WXSJTPDWYLABSB-UHFFFAOYSA-N -1 0 323.179 3.513 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000630097795 1017284515 /nfs/dbraw/zinc/28/45/15/1017284515.db2.gz LXXTWKZRFNEKOY-CQSZACIVSA-N -1 0 317.410 3.646 20 0 DHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179720178 1017290755 /nfs/dbraw/zinc/29/07/55/1017290755.db2.gz NINQCRFKEQPECW-GTNSWQLSSA-N -1 0 319.788 3.539 20 0 DHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000121878997 1032476714 /nfs/dbraw/zinc/47/67/14/1032476714.db2.gz FWJXQLOMZULHQM-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1O ZINC000122104684 1032506685 /nfs/dbraw/zinc/50/66/85/1032506685.db2.gz ZGBUOFNWLLEEED-UHFFFAOYSA-N -1 0 311.259 3.586 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(F)c(O)c2)cc1C(F)(F)F ZINC001211487735 1011935512 /nfs/dbraw/zinc/93/55/12/1011935512.db2.gz MBXGOGVTWIAZMV-UHFFFAOYSA-N -1 0 315.222 3.992 20 0 DHADRM Cc1ncccc1/C=C/C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001625779857 1012018231 /nfs/dbraw/zinc/01/82/31/1012018231.db2.gz WCTZULHBMURNKJ-SNAWJCMRSA-N -1 0 306.724 3.540 20 0 DHADRM CCC(C)(C)N(C)C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1C ZINC000654780632 1012038984 /nfs/dbraw/zinc/03/89/84/1012038984.db2.gz NHZPURQXNMMQOP-UHFFFAOYSA-N -1 0 312.797 3.999 20 0 DHADRM CCC(CC)(NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000654798266 1012048763 /nfs/dbraw/zinc/04/87/63/1012048763.db2.gz NQKWHDCTMXPKJG-UHFFFAOYSA-N -1 0 318.373 3.815 20 0 DHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000026546462 1012317091 /nfs/dbraw/zinc/31/70/91/1012317091.db2.gz HREOOKMLWQRCFA-UHFFFAOYSA-N -1 0 323.389 3.759 20 0 DHADRM CCCCC1CCC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000314531507 1012318634 /nfs/dbraw/zinc/31/86/34/1012318634.db2.gz HHXROMLGFOYXQL-UYSNPLJNSA-N -1 0 309.450 3.839 20 0 DHADRM COc1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000109037225 1012405521 /nfs/dbraw/zinc/40/55/21/1012405521.db2.gz QPZKQHIRXHKZDZ-UHFFFAOYSA-N -1 0 302.717 3.771 20 0 DHADRM CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2[nH]1 ZINC000066255619 1012438145 /nfs/dbraw/zinc/43/81/45/1012438145.db2.gz JAZNDKNBPAXEOG-SGPNVBEDSA-N -1 0 324.340 3.747 20 0 DHADRM O=C([O-])C/C(=C/c1ccc2c(c1)CCO2)c1nc2ccccc2o1 ZINC000515431032 1012625147 /nfs/dbraw/zinc/62/51/47/1012625147.db2.gz OBSCFEUOQXUVRB-UVTDQMKNSA-N -1 0 321.332 3.778 20 0 DHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000515654039 1012688372 /nfs/dbraw/zinc/68/83/72/1012688372.db2.gz BPRBJKIEQZXEPL-HNNXBMFYSA-N -1 0 315.413 3.631 20 0 DHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccc2c3c(cccc31)CC2 ZINC000154380258 1012698441 /nfs/dbraw/zinc/69/84/41/1012698441.db2.gz AYNUEODCOXPCEF-MRXNPFEDSA-N -1 0 312.369 3.518 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)CC1(C(=O)[O-])CCCC1 ZINC000321356659 1012729150 /nfs/dbraw/zinc/72/91/50/1012729150.db2.gz YXRIFKGHSVPNPO-INIZCTEOSA-N -1 0 315.413 3.694 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2scnc2C2CC2)c1 ZINC000436652690 1012758991 /nfs/dbraw/zinc/75/89/91/1012758991.db2.gz PWAQIZZCXIPLTR-UHFFFAOYSA-N -1 0 316.382 3.571 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)o1 ZINC000538016082 1012972643 /nfs/dbraw/zinc/97/26/43/1012972643.db2.gz YETJNHRTUWBYOC-UHFFFAOYSA-N -1 0 323.414 3.814 20 0 DHADRM O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000073072632 1017135878 /nfs/dbraw/zinc/13/58/78/1017135878.db2.gz UEXNYHDDBDZWOH-JSGCOSHPSA-N -1 0 310.378 3.776 20 0 DHADRM Cc1ccc([C@H]2CCCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262478833 1017174757 /nfs/dbraw/zinc/17/47/57/1017174757.db2.gz HQONMVWPEZMCKC-MRXNPFEDSA-N -1 0 315.413 3.694 20 0 DHADRM CC(=O)c1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350824015 1017339932 /nfs/dbraw/zinc/33/99/32/1017339932.db2.gz 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ZINC000444832724 1017694713 /nfs/dbraw/zinc/69/47/13/1017694713.db2.gz GYAOAVBQQWPLKY-AWEZNQCLSA-N -1 0 319.474 3.738 20 0 DHADRM CS[C@H]1CC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000074091649 1017797228 /nfs/dbraw/zinc/79/72/28/1017797228.db2.gz RSAQXJCSNJSKMV-ZJUUUORDSA-N -1 0 308.428 3.504 20 0 DHADRM CC(C)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000317906019 1017843055 /nfs/dbraw/zinc/84/30/55/1017843055.db2.gz SVJVXVXEXPCGAD-IUODEOHRSA-N -1 0 304.390 3.527 20 0 DHADRM CCOc1cc(-c2noc(C3(CC)CC3)n2)cc(Cl)c1O ZINC000445404504 1017843804 /nfs/dbraw/zinc/84/38/04/1017843804.db2.gz CRLGHBOJSKRWRB-UHFFFAOYSA-N -1 0 308.765 3.936 20 0 DHADRM Cc1ncc(Br)cc1Nc1cccc(C(=O)[O-])c1C ZINC001216656547 1017873102 /nfs/dbraw/zinc/87/31/02/1017873102.db2.gz AFMJVJNDGSTXQW-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM O=C(Nc1ccc2scnc2c1)c1c([O-])cc(F)cc1F ZINC000171308949 1017923995 /nfs/dbraw/zinc/92/39/95/1017923995.db2.gz YAIDQBSZNPEUIT-UHFFFAOYSA-N -1 0 306.293 3.532 20 0 DHADRM CCSc1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000182800297 1017957231 /nfs/dbraw/zinc/95/72/31/1017957231.db2.gz LXJDLAAVKZFLJC-UHFFFAOYSA-N -1 0 311.428 3.809 20 0 DHADRM COc1ccccc1-n1nccc1Nc1cc(F)c(O)c(F)c1 ZINC001213377515 1018069914 /nfs/dbraw/zinc/06/99/14/1018069914.db2.gz SBBMGVVSQYJMHD-UHFFFAOYSA-N -1 0 317.295 3.608 20 0 DHADRM CCc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1C ZINC000184482999 1018082841 /nfs/dbraw/zinc/08/28/41/1018082841.db2.gz LLBIDEXDECYSFS-UHFFFAOYSA-N -1 0 309.287 3.933 20 0 DHADRM Cc1cc(NC(=O)c2cc(F)cc(F)c2)cc(C(=O)[O-])c1C ZINC000315027319 1032742938 /nfs/dbraw/zinc/74/29/38/1032742938.db2.gz MBVLAOWWQZSKER-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM CSc1ccncc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000674715132 1018112772 /nfs/dbraw/zinc/11/27/72/1018112772.db2.gz LMLFYKSRRAASLT-UHFFFAOYSA-N -1 0 322.455 3.728 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)CC1(CC(=O)[O-])CCC1 ZINC000634859374 1018140943 /nfs/dbraw/zinc/14/09/43/1018140943.db2.gz MJOURUYJJIGHSR-GFCCVEGCSA-N -1 0 323.820 3.895 20 0 DHADRM COCc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000525109980 1018168310 /nfs/dbraw/zinc/16/83/10/1018168310.db2.gz YZGOUQFCYMHRPA-GDNBJRDFSA-N -1 0 323.348 3.990 20 0 DHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000525226939 1018207803 /nfs/dbraw/zinc/20/78/03/1018207803.db2.gz IRZGVWPWACCERN-UHFFFAOYSA-N -1 0 322.455 3.728 20 0 DHADRM O=C([O-])CCCCC(=O)NC1(c2ccccc2)CCCCC1 ZINC000674992237 1018220126 /nfs/dbraw/zinc/22/01/26/1018220126.db2.gz KVJYRHJOSYCHQO-UHFFFAOYSA-N -1 0 303.402 3.607 20 0 DHADRM CC(C)(CC(=O)N[C@H](c1ccccc1F)C1CCCC1)C(=O)[O-] ZINC000675000437 1018222506 /nfs/dbraw/zinc/22/25/06/1018222506.db2.gz SUMRGMMEWMPQBG-INIZCTEOSA-N -1 0 321.392 3.674 20 0 DHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(F)ccc1O ZINC000080000479 1018270934 /nfs/dbraw/zinc/27/09/34/1018270934.db2.gz XPTIBHKUMFFMAC-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM Cc1nocc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212532321 1018306810 /nfs/dbraw/zinc/30/68/10/1018306810.db2.gz 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ZINC001211592348 1018610679 /nfs/dbraw/zinc/61/06/79/1018610679.db2.gz VPGKEUOFRRYBRP-UHFFFAOYSA-N -1 0 300.339 3.752 20 0 DHADRM O=Cc1ccc(-c2cc(F)cc(C3(C(=O)[O-])CC3)c2)cc1F ZINC000874973476 1032776020 /nfs/dbraw/zinc/77/60/20/1032776020.db2.gz LVTMOKNKGQTASY-UHFFFAOYSA-N -1 0 302.276 3.561 20 0 DHADRM Cc1cc(-c2ccc(C(=O)[O-])cc2F)cc(C=O)c1OC(F)F ZINC000874970446 1032773584 /nfs/dbraw/zinc/77/35/84/1032773584.db2.gz RGPFUFCOJKHTLU-UHFFFAOYSA-N -1 0 324.254 3.913 20 0 DHADRM O=Cc1ccc(-c2ccc(OCc3ccc(C(=O)[O-])o3)cc2)o1 ZINC000874971767 1032777374 /nfs/dbraw/zinc/77/73/74/1032777374.db2.gz WJBKDHAAJZYERB-UHFFFAOYSA-N -1 0 312.277 3.629 20 0 DHADRM O=C(NC[C@H]1CSc2ccccc21)c1cccc(Cl)c1[O-] ZINC001129187724 1018672721 /nfs/dbraw/zinc/67/27/21/1018672721.db2.gz ZFANBZCFJMHIDM-JTQLQIEISA-N -1 0 319.813 3.665 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H]1c1cccc(F)c1 ZINC000676164954 1018676380 /nfs/dbraw/zinc/67/63/80/1018676380.db2.gz OGHBMQSZTUKYQV-CQSZACIVSA-N -1 0 323.726 3.911 20 0 DHADRM Cc1ccc(Nc2ccnc(Br)c2C)cc1C(=O)[O-] ZINC001211599660 1018700000 /nfs/dbraw/zinc/70/00/00/1018700000.db2.gz SELYMTCXBGKKPR-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM C[C@H](Cc1ccc(NCc2scnc2C2CC2)cc1)C(=O)[O-] ZINC000417614841 1018753610 /nfs/dbraw/zinc/75/36/10/1018753610.db2.gz VYNGLUMMMXWQEV-LLVKDONJSA-N -1 0 316.426 3.896 20 0 DHADRM COc1ccc(C(C)=O)c(Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC001211603906 1018772006 /nfs/dbraw/zinc/77/20/06/1018772006.db2.gz JPQQUOBCVYISTI-UHFFFAOYSA-N -1 0 313.353 3.956 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)c2n[nH]c(C)c2[O-])c(C)c1 ZINC000676631525 1018788628 /nfs/dbraw/zinc/78/86/28/1018788628.db2.gz YUKVZDVRWGSJFK-JTQLQIEISA-N -1 0 319.430 3.875 20 0 DHADRM CC(=O)N1CCCc2ccc(Nc3ccc(C)c(C(=O)[O-])c3)cc21 ZINC001211606271 1018826897 /nfs/dbraw/zinc/82/68/97/1018826897.db2.gz KUDLMXPAHHUVFL-UHFFFAOYSA-N -1 0 324.380 3.736 20 0 DHADRM Cc1ccc(Nc2ccc(O)cc2Br)cc1C(=O)[O-] ZINC001211606108 1018827047 /nfs/dbraw/zinc/82/70/47/1018827047.db2.gz HGOQXCRLBKRXFC-UHFFFAOYSA-N 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O=C(Nc1cccc(Cl)c1[O-])C(F)(F)c1ccc(F)cc1 ZINC000736680707 1020826903 /nfs/dbraw/zinc/82/69/03/1020826903.db2.gz DHJDSGCGJGJTSO-UHFFFAOYSA-N -1 0 315.678 3.915 20 0 DHADRM Cc1cnc(SCc2ccc(Br)s2)[nH]c1=O ZINC000309317167 1020856857 /nfs/dbraw/zinc/85/68/57/1020856857.db2.gz GHFHKBSSZJKNIP-UHFFFAOYSA-N -1 0 317.233 3.607 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])c2ccc(F)cc2O1 ZINC000173530270 1020917770 /nfs/dbraw/zinc/91/77/70/1020917770.db2.gz IMGDCVLBVQOWSI-SECBINFHSA-N -1 0 321.735 3.612 20 0 DHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000174013455 1020950620 /nfs/dbraw/zinc/95/06/20/1020950620.db2.gz IHHQWBKIDCBCBD-UHFFFAOYSA-N -1 0 316.835 3.721 20 0 DHADRM O=C(NCc1cscn1)c1cc(Cl)c2ccccc2c1[O-] ZINC000175210578 1021028403 /nfs/dbraw/zinc/02/84/03/1021028403.db2.gz LBHKVNBGGLLLOZ-UHFFFAOYSA-N -1 0 318.785 3.585 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2cccc3ncccc32)CCCCC1 ZINC000319744000 1021037112 /nfs/dbraw/zinc/03/71/12/1021037112.db2.gz SUSIQVPJMWMIIT-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175362934 1021039620 /nfs/dbraw/zinc/03/96/20/1021039620.db2.gz GFTVHTIGGKPEGH-AWEZNQCLSA-N -1 0 315.800 3.750 20 0 DHADRM COc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1Cl ZINC000161594659 1021084602 /nfs/dbraw/zinc/08/46/02/1021084602.db2.gz FJGUYHUHWANYNF-UHFFFAOYSA-N -1 0 317.819 3.519 20 0 DHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC=CCC1 ZINC000653281051 1021116930 /nfs/dbraw/zinc/11/69/30/1021116930.db2.gz WBPCNGYAOBCMDT-CQSZACIVSA-N -1 0 314.168 3.743 20 0 DHADRM Cc1cc(N)c(Cl)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203330212 1021167136 /nfs/dbraw/zinc/16/71/36/1021167136.db2.gz PNPUIIYFMHNCHQ-UHFFFAOYSA-N -1 0 312.703 3.951 20 0 DHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176942348 1021183155 /nfs/dbraw/zinc/18/31/55/1021183155.db2.gz NECNZGHIZUBIDE-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CC2(C1)CCCCC2 ZINC000659118120 1021183479 /nfs/dbraw/zinc/18/34/79/1021183479.db2.gz UUQIPCLKGOSUJJ-IMJJTQAJSA-N -1 0 319.445 3.591 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccccc1 ZINC000659124986 1021189598 /nfs/dbraw/zinc/18/95/98/1021189598.db2.gz NLTTVLHYXJEITA-GOSISDBHSA-N -1 0 323.392 3.900 20 0 DHADRM Cc1cccc(NC(=O)Nc2ncc(Br)cc2[O-])c1 ZINC001202305704 1021196580 /nfs/dbraw/zinc/19/65/80/1021196580.db2.gz XLGXOBPTJMHYAL-UHFFFAOYSA-N -1 0 322.162 3.502 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(C2CC2)cc1 ZINC000659140151 1021201035 /nfs/dbraw/zinc/20/10/35/1021201035.db2.gz YWQJHXPXCZOBGF-GOSISDBHSA-N -1 0 323.392 3.818 20 0 DHADRM COc1ccc(-c2cc3[n-]c(CC4CC4)nc(=O)c3s2)cc1 ZINC000090066230 1021205979 /nfs/dbraw/zinc/20/59/79/1021205979.db2.gz NKDBZFKIUSEYMP-UHFFFAOYSA-N -1 0 312.394 3.613 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(-c2cccs2)cc1 ZINC000659170471 1021224566 /nfs/dbraw/zinc/22/45/66/1021224566.db2.gz NPEMSEQDEPBBCB-GFCCVEGCSA-N -1 0 317.410 3.532 20 0 DHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C2(CC)CCCCC2)n1 ZINC000659182937 1021232773 /nfs/dbraw/zinc/23/27/73/1021232773.db2.gz NSJKWODVZHMWRV-CYBMUJFWSA-N -1 0 321.421 3.608 20 0 DHADRM CC(C)(C)CCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659196434 1021242245 /nfs/dbraw/zinc/24/22/45/1021242245.db2.gz URMDFBOPVLANRX-KKUMJFAQSA-N -1 0 309.450 3.695 20 0 DHADRM COc1ccc(CCCCC(=O)Nc2cccc(O)c2F)cc1 ZINC000128405422 1021242961 /nfs/dbraw/zinc/24/29/61/1021242961.db2.gz BYSIQUXRIGWFOB-UHFFFAOYSA-N -1 0 317.360 3.891 20 0 DHADRM O=C([O-])c1occc1CNC(=O)c1cccc(C2CCCC2)c1 ZINC000659201917 1021248020 /nfs/dbraw/zinc/24/80/20/1021248020.db2.gz WQGXZCLJNJUJQS-UHFFFAOYSA-N -1 0 313.353 3.565 20 0 DHADRM CCCn1cc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cn1 ZINC000743262535 1021250752 /nfs/dbraw/zinc/25/07/52/1021250752.db2.gz ZWFLQBCUXVCISL-ZDUSSCGKSA-N -1 0 321.446 3.607 20 0 DHADRM CCn1ncc2ccc(NC(=O)c3c([O-])cccc3Cl)cc21 ZINC000743324313 1021259420 /nfs/dbraw/zinc/25/94/20/1021259420.db2.gz XMYLSMDSSXAMSE-UHFFFAOYSA-N -1 0 315.760 3.668 20 0 DHADRM O=C(NC(=O)c1ccccc1)Nc1ccc(Cl)cc1[S-] ZINC001202456269 1021260808 /nfs/dbraw/zinc/26/08/08/1021260808.db2.gz IZYUYLUCIIIXLN-UHFFFAOYSA-N -1 0 306.774 3.591 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000618074459 1021265792 /nfs/dbraw/zinc/26/57/92/1021265792.db2.gz BNAYCFNRTXCBOT-UHFFFAOYSA-N -1 0 318.398 3.663 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000659235255 1021276706 /nfs/dbraw/zinc/27/67/06/1021276706.db2.gz CJMNWERZOLYUTD-FCEWJHQRSA-N -1 0 317.429 3.576 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000659233899 1021280516 /nfs/dbraw/zinc/28/05/16/1021280516.db2.gz ZUBDZXRVIMQLCL-CQSZACIVSA-N -1 0 318.417 3.663 20 0 DHADRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000037419098 1032965950 /nfs/dbraw/zinc/96/59/50/1032965950.db2.gz YCKAHAQBSCCLQQ-FNORWQNLSA-N -1 0 307.758 3.752 20 0 DHADRM C[C@@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2)cs1 ZINC000107274501 1021308419 /nfs/dbraw/zinc/30/84/19/1021308419.db2.gz QMWJZWIQJZALHA-MRVPVSSYSA-N -1 0 300.305 3.550 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC[C@H](C2CCCCC2)C1 ZINC000618186437 1021318962 /nfs/dbraw/zinc/31/89/62/1021318962.db2.gz LXWIMWAWHHSBKW-JTQLQIEISA-N -1 0 314.838 3.545 20 0 DHADRM O=C(/C=C\c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000318560732 1021320720 /nfs/dbraw/zinc/32/07/20/1021320720.db2.gz NYMVVGMNGNKWJS-BAQGIRSFSA-N -1 0 318.716 3.606 20 0 DHADRM CC(C)c1noc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000181855788 1021365663 /nfs/dbraw/zinc/36/56/63/1021365663.db2.gz XWPWZGBSHFTRQY-UHFFFAOYSA-N -1 0 302.161 3.818 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000382271259 1021371507 /nfs/dbraw/zinc/37/15/07/1021371507.db2.gz YSXIFIBONINFRG-PPWQZUPISA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)Cn1nccc1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000647646655 1021386306 /nfs/dbraw/zinc/38/63/06/1021386306.db2.gz HVWBCTFELAZNEH-UHFFFAOYSA-N -1 0 315.417 3.559 20 0 DHADRM CCOc1ccc(C(=O)[O-])cc1Nc1cc(OC)cnc1Cl ZINC001214271015 1021400841 /nfs/dbraw/zinc/40/08/41/1021400841.db2.gz VTXAWSAPPNRPRQ-UHFFFAOYSA-N -1 0 322.748 3.584 20 0 DHADRM C[C@@]1(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1(F)F ZINC000618634300 1021462463 /nfs/dbraw/zinc/46/24/63/1021462463.db2.gz PIOOQUZGFGELRQ-GFCCVEGCSA-N -1 0 324.154 3.864 20 0 DHADRM O=c1c2c([n-]n1-c1nc3ccc(Cl)cc3s1)CCCC2 ZINC000634595417 1021466199 /nfs/dbraw/zinc/46/61/99/1021466199.db2.gz AOTHFGDYJZXBNV-VIFPVBQESA-N -1 0 305.790 3.843 20 0 DHADRM Cc1cc(Nc2c(F)c(F)nc(F)c2Cl)ccc1C(=O)[O-] ZINC001211647966 1021512986 /nfs/dbraw/zinc/51/29/86/1021512986.db2.gz NPMBEWSHRVHFDC-UHFFFAOYSA-N -1 0 316.666 3.903 20 0 DHADRM C[C@H](c1cccnc1)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000565177137 1021572882 /nfs/dbraw/zinc/57/28/82/1021572882.db2.gz MBUVPOLSKKQOPS-SNVBAGLBSA-N -1 0 324.302 3.639 20 0 DHADRM Cc1cc(Cl)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1C ZINC000182311124 1021588286 /nfs/dbraw/zinc/58/82/86/1021588286.db2.gz MMCZTNGTKUQBSN-UHFFFAOYSA-N -1 0 300.745 3.786 20 0 DHADRM Cc1cccc(C2(C(=O)[N-]O[C@@H]3CCCCO3)CCCCC2)c1 ZINC000749619084 1021599070 /nfs/dbraw/zinc/59/90/70/1021599070.db2.gz SNEPCRWIYPAAFO-QGZVFWFLSA-N -1 0 317.429 3.771 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc2c(cccc2F)[nH]1 ZINC000172111761 1021600184 /nfs/dbraw/zinc/60/01/84/1021600184.db2.gz DEYNMNBPNQRUKL-UHFFFAOYSA-N -1 0 304.708 3.918 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccccc1 ZINC000556320707 1021663268 /nfs/dbraw/zinc/66/32/68/1021663268.db2.gz AQOGVHADURLHOC-UHFFFAOYSA-N -1 0 321.380 3.949 20 0 DHADRM Cc1ccc(C)c(C(=O)NC2C[C@H](C)C[C@@H](C)C2)c1C(=O)[O-] ZINC000320104567 1021691511 /nfs/dbraw/zinc/69/15/11/1021691511.db2.gz PMDJDZOJKBMXPE-GHMZBOCLSA-N -1 0 303.402 3.556 20 0 DHADRM O=C(Nc1cccc2ccsc21)c1cnc2ccccc2c1O ZINC000337458723 1033008173 /nfs/dbraw/zinc/00/81/73/1033008173.db2.gz OFHXDOICXVDESY-UHFFFAOYSA-N -1 0 320.373 3.995 20 0 DHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746021758 1021827661 /nfs/dbraw/zinc/82/76/61/1021827661.db2.gz UQOWULMMTACSHV-NXEZZACHSA-N -1 0 304.415 3.671 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262954266 1021872051 /nfs/dbraw/zinc/87/20/51/1021872051.db2.gz PEWJZBRKTALNMP-JYJNAYRXSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@H](Cc1ccsc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746153027 1021879126 /nfs/dbraw/zinc/87/91/26/1021879126.db2.gz OXNUNNGCXFQYHF-SECBINFHSA-N -1 0 318.423 3.539 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746159870 1021879389 /nfs/dbraw/zinc/87/93/89/1021879389.db2.gz OKXCRWRBYQROIK-AWEZNQCLSA-N -1 0 324.405 3.842 20 0 DHADRM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc2[n-]c(=S)oc2c1 ZINC000746304633 1021911617 /nfs/dbraw/zinc/91/16/17/1021911617.db2.gz NEYARLWBQLVUQC-GMXVVIOVSA-N -1 0 316.426 3.815 20 0 DHADRM CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000851593349 1021951760 /nfs/dbraw/zinc/95/17/60/1021951760.db2.gz TWAOVZDKWBMHHG-UHFFFAOYSA-N -1 0 323.392 3.838 20 0 DHADRM C[C@@H](CCNC(=O)c1ccc(/C=C\C(=O)[O-])o1)CC(C)(C)C ZINC000851605862 1021952280 /nfs/dbraw/zinc/95/22/80/1021952280.db2.gz NNPTYUAOGXTITE-VFFGBVLKSA-N -1 0 307.390 3.570 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@H]2CCCC23CCCCC3)o1 ZINC000851610850 1021952501 /nfs/dbraw/zinc/95/25/01/1021952501.db2.gz YDSZOLITIABESS-HEWZJLJBSA-N -1 0 317.385 3.610 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000187228798 1021960265 /nfs/dbraw/zinc/96/02/65/1021960265.db2.gz OKUCQDKTKFXEBC-CQSZACIVSA-N -1 0 317.476 3.550 20 0 DHADRM O=C(c1cc(O)c2ccccc2c1)N1CC[C@H](c2ccncc2)C1 ZINC000556954743 1021972376 /nfs/dbraw/zinc/97/23/76/1021972376.db2.gz LPAPCOSIPALLEV-INIZCTEOSA-N -1 0 318.376 3.570 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000619963635 1021978957 /nfs/dbraw/zinc/97/89/57/1021978957.db2.gz FRWSCAOMBJVSRL-UHFFFAOYSA-N -1 0 304.173 3.823 20 0 DHADRM Cc1ccc([C@H]2CCCCCN2C(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000190651788 1021988926 /nfs/dbraw/zinc/98/89/26/1021988926.db2.gz VUYNVXFJAYYZSU-CQSZACIVSA-N -1 0 321.417 3.923 20 0 DHADRM COc1ccccc1N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381973653 1022078723 /nfs/dbraw/zinc/07/87/23/1022078723.db2.gz VZGAPQBRXVUORD-UHFFFAOYSA-N -1 0 305.761 3.683 20 0 DHADRM CC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000920442502 1022120626 /nfs/dbraw/zinc/12/06/26/1022120626.db2.gz SXLSXVGWPHQUHI-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM CCc1ccc([C@@H]2COCCN2Cc2cccc(Cl)c2[O-])o1 ZINC000180289675 1022126704 /nfs/dbraw/zinc/12/67/04/1022126704.db2.gz SBTWZLYGXQRFBQ-HNNXBMFYSA-N -1 0 321.804 3.775 20 0 DHADRM CCn1c2ccccc2nc1NC(=O)c1c([O-])cccc1Cl ZINC000920438426 1022127409 /nfs/dbraw/zinc/12/74/09/1022127409.db2.gz SQFFIAGKYPAGSH-UHFFFAOYSA-N -1 0 315.760 3.668 20 0 DHADRM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC000620367920 1022136950 /nfs/dbraw/zinc/13/69/50/1022136950.db2.gz CDWXSRLIZGLBHN-VIFPVBQESA-N -1 0 315.335 3.756 20 0 DHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Br)c1[O-] ZINC000620430490 1022149877 /nfs/dbraw/zinc/14/98/77/1022149877.db2.gz CZTXPUNLHCIOIH-FGWVZKOKSA-N -1 0 324.218 3.558 20 0 DHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630738 1022188958 /nfs/dbraw/zinc/18/89/58/1022188958.db2.gz WDABOIIVRKLHCC-QWRGUYRKSA-N -1 0 319.357 3.636 20 0 DHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000920961195 1022194964 /nfs/dbraw/zinc/19/49/64/1022194964.db2.gz PSGRRDUZZJATLY-OAHLLOKOSA-N -1 0 322.817 3.654 20 0 DHADRM C[C@]1(F)CCCCN(Cc2cc(Cl)nc(Cl)c2[O-])C1 ZINC001237517546 1022197748 /nfs/dbraw/zinc/19/77/48/1022197748.db2.gz CALYOVBVXMSNRJ-ZDUSSCGKSA-N -1 0 307.196 3.808 20 0 DHADRM Cc1ccc(C)c(C(=O)NCC(C)(C)C2CCC2)c1C(=O)[O-] ZINC000384983916 1022214126 /nfs/dbraw/zinc/21/41/26/1022214126.db2.gz RGUBGNGRRYNFKA-UHFFFAOYSA-N -1 0 303.402 3.558 20 0 DHADRM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000153562771 1022223451 /nfs/dbraw/zinc/22/34/51/1022223451.db2.gz IYMVSZZSHFWBSR-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM C[C@H](NCc1nnc(C(C)(C)C)s1)c1cc(O)cc(F)c1 ZINC000925529503 1022224446 /nfs/dbraw/zinc/22/44/46/1022224446.db2.gz YWHMENWVAXZMRC-VIFPVBQESA-N -1 0 309.410 3.531 20 0 DHADRM CC[C@H](CNC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000649262565 1022226568 /nfs/dbraw/zinc/22/65/68/1022226568.db2.gz JGZSTCYDQSCEAW-CYBMUJFWSA-N -1 0 321.442 3.586 20 0 DHADRM CC(C)(C)CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675090 1022264760 /nfs/dbraw/zinc/26/47/60/1022264760.db2.gz OYMQRVLKNILPFO-CYBMUJFWSA-N -1 0 311.809 3.798 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000136355357 1022277753 /nfs/dbraw/zinc/27/77/53/1022277753.db2.gz JENJCZQFNHVFET-QWHCGFSZSA-N -1 0 311.447 3.987 20 0 DHADRM COCc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)o1 ZINC000154709706 1022329094 /nfs/dbraw/zinc/32/90/94/1022329094.db2.gz NKMGUIMPUZQGOF-UHFFFAOYSA-N -1 0 316.140 3.691 20 0 DHADRM CSc1ccc(NCc2cc(=O)[n-]o2)c(C(F)(F)F)c1 ZINC001169492701 1022432644 /nfs/dbraw/zinc/43/26/44/1022432644.db2.gz PDOQTBHLPSWKOJ-UHFFFAOYSA-N -1 0 304.293 3.733 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281818 1022442853 /nfs/dbraw/zinc/44/28/53/1022442853.db2.gz WHQAPQGQTMFMES-OCCSQVGLSA-N -1 0 313.401 3.937 20 0 DHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCCC(=O)[O-])C2CC2)o1 ZINC000263302458 1022445940 /nfs/dbraw/zinc/44/59/40/1022445940.db2.gz NSBFTWKMTPBMGN-IUODEOHRSA-N -1 0 319.401 3.539 20 0 DHADRM Cc1cccc(C2(C(=O)[N-]OCC(F)(F)F)CCCCC2)c1 ZINC000766763414 1022467390 /nfs/dbraw/zinc/46/73/90/1022467390.db2.gz SHQRGSZMDMVLLI-UHFFFAOYSA-N -1 0 315.335 3.807 20 0 DHADRM O[C@H]1c2ccccc2CC[C@H]1Nc1ccc2oc(=S)[n-]c2c1 ZINC001169617100 1022484147 /nfs/dbraw/zinc/48/41/47/1022484147.db2.gz APWYRIQIRQOCNJ-CJNGLKHVSA-N -1 0 312.394 3.577 20 0 DHADRM [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000180024457 1022609605 /nfs/dbraw/zinc/60/96/05/1022609605.db2.gz KBXWJTSYDIXCFQ-MRXNPFEDSA-N -1 0 321.779 3.758 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H]2c2cccs2)c1 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302.399 3.520 20 0 DHADRM CCCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)C(C)C ZINC000621532632 1022779034 /nfs/dbraw/zinc/77/90/34/1022779034.db2.gz IAZGMRRODQQXSK-CHWSQXEVSA-N -1 0 311.447 3.843 20 0 DHADRM CC(C)c1cnc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000417564695 1022790509 /nfs/dbraw/zinc/79/05/09/1022790509.db2.gz OWKUVOGWAFMMMA-AWEZNQCLSA-N -1 0 324.833 3.835 20 0 DHADRM O=C(NNc1c(F)cccc1Cl)c1ccc([O-])c(Cl)c1 ZINC000184240898 1022790887 /nfs/dbraw/zinc/79/08/87/1022790887.db2.gz PYTOABIIFOOPHG-UHFFFAOYSA-N -1 0 315.131 3.595 20 0 DHADRM CCCC[C@H](C)C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621589028 1022798198 /nfs/dbraw/zinc/79/81/98/1022798198.db2.gz LVMPSQXUINXBCD-CWRNSKLLSA-N -1 0 303.402 3.630 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000621598235 1022798753 /nfs/dbraw/zinc/79/87/53/1022798753.db2.gz ABIQZTLIBWDQHT-YESZJQIVSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)CCc1nnc(NC(=O)c2ncsc2C(C)C)s1 ZINC000617094513 1022844123 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/nfs/dbraw/zinc/65/30/91/1023653091.db2.gz MBBNLTDDHMWSQL-QWRGUYRKSA-N -1 0 304.777 3.578 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000909370402 1023684691 /nfs/dbraw/zinc/68/46/91/1023684691.db2.gz MIIKLWQIJPQVFZ-PLSXKVAHSA-N -1 0 309.793 3.718 20 0 DHADRM COC(=O)c1cc(-c2cc(Cl)c([O-])c(Cl)c2)cnc1F ZINC001242853178 1023690773 /nfs/dbraw/zinc/69/07/73/1023690773.db2.gz HQBOUFHZMIRICV-UHFFFAOYSA-N -1 0 316.115 3.687 20 0 DHADRM CCNC(=O)c1cncc(-c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001242854057 1023693191 /nfs/dbraw/zinc/69/31/91/1023693191.db2.gz NROCGJIXCJLMBX-UHFFFAOYSA-N -1 0 311.168 3.511 20 0 DHADRM CCc1ccc(S(=O)(=O)Nc2ccccc2Cl)s1 ZINC000048652350 1023801414 /nfs/dbraw/zinc/80/14/14/1023801414.db2.gz PSLLFACGMMBIEP-UHFFFAOYSA-N -1 0 301.820 3.765 20 0 DHADRM CSc1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048652509 1023801659 /nfs/dbraw/zinc/80/16/59/1023801659.db2.gz NSHKOKWMDONUBW-UHFFFAOYSA-N -1 0 311.403 3.657 20 0 DHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000048656015 1023802154 /nfs/dbraw/zinc/80/21/54/1023802154.db2.gz QBPIDVNYDOCVEK-UHFFFAOYSA-N -1 0 311.428 3.728 20 0 DHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cc2ccccc2s1 ZINC000663053676 1023802369 /nfs/dbraw/zinc/80/23/69/1023802369.db2.gz YUNXQBAPPMYFLK-IINYFYTJSA-N -1 0 319.426 3.825 20 0 DHADRM CCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000048653431 1023802562 /nfs/dbraw/zinc/80/25/62/1023802562.db2.gz XQJDHEKMQNQXNX-UHFFFAOYSA-N -1 0 313.781 3.842 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)c2ccccc21 ZINC000663054490 1023804949 /nfs/dbraw/zinc/80/49/49/1023804949.db2.gz NLRGQYVXPFBKIR-QGZVFWFLSA-N -1 0 321.376 3.783 20 0 DHADRM Cc1c2c(sc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCCC2 ZINC000663065159 1023813103 /nfs/dbraw/zinc/81/31/03/1023813103.db2.gz UPPVWYTZUIPLJO-GFCCVEGCSA-N -1 0 309.431 3.621 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc(C(F)F)c2)CCCCCC1 ZINC000663098101 1023840154 /nfs/dbraw/zinc/84/01/54/1023840154.db2.gz HFSVNOQKUVGOSI-UHFFFAOYSA-N -1 0 311.328 3.988 20 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JYSCVJPSTCRSQK-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM O=C(Nc1ccc(Br)cc1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000531288705 1024093564 /nfs/dbraw/zinc/09/35/64/1024093564.db2.gz GMENKYVHRQMSKH-IWIIMEHWSA-N -1 0 310.191 3.529 20 0 DHADRM O=C([N-][C@@H](c1cccc(Cl)c1)C(F)F)C(F)C(F)(F)F ZINC000882728596 1024112032 /nfs/dbraw/zinc/11/20/32/1024112032.db2.gz CFEBRUDEMOQESS-YUMQZZPRSA-N -1 0 319.632 3.663 20 0 DHADRM COC(C)(C)CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000538783884 1033190420 /nfs/dbraw/zinc/19/04/20/1033190420.db2.gz NKUYYYZKXYGGKV-UHFFFAOYSA-N -1 0 321.804 3.696 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1O ZINC000790064380 1024217949 /nfs/dbraw/zinc/21/79/49/1024217949.db2.gz XSUVIZYYIXOGKK-GFCCVEGCSA-N -1 0 312.797 3.507 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1O ZINC000790064382 1024218671 /nfs/dbraw/zinc/21/86/71/1024218671.db2.gz XSUVIZYYIXOGKK-LBPRGKRZSA-N -1 0 312.797 3.507 20 0 DHADRM COc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1Cl ZINC000790145974 1024228678 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CC1CCC(C)(NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000183530256 1034396863 /nfs/dbraw/zinc/39/68/63/1034396863.db2.gz HJCHUMAWETVOFD-UHFFFAOYSA-N -1 0 301.308 3.508 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2-c2ccccc2)c1 ZINC001174495097 1034413456 /nfs/dbraw/zinc/41/34/56/1034413456.db2.gz LBEABCASCWZKNC-MDZDMXLPSA-N -1 0 305.337 3.714 20 0 DHADRM Nc1cc(C(F)(F)F)ncc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495125 1034413562 /nfs/dbraw/zinc/41/35/62/1034413562.db2.gz LYNJZVKTFWQHNB-SNAWJCMRSA-N -1 0 323.274 3.524 20 0 DHADRM CC1(C)NC(=O)c2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc21 ZINC001174498718 1034415130 /nfs/dbraw/zinc/41/51/30/1034415130.db2.gz HZHDIDSCXRTGHF-RMKNXTFCSA-N -1 0 322.364 3.507 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnn(CC3CC3)c2)c1Cl ZINC001174467648 1034427218 /nfs/dbraw/zinc/42/72/18/1034427218.db2.gz YBYVPDJPFDBPKB-UHFFFAOYSA-N -1 0 317.151 3.583 20 0 DHADRM Cc1c(F)cccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001174670177 1034540521 /nfs/dbraw/zinc/54/05/21/1034540521.db2.gz IEQVTQHFYYEPAK-UHFFFAOYSA-N -1 0 315.753 3.778 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C(F)(F)F)n1 ZINC001174671532 1034540700 /nfs/dbraw/zinc/54/07/00/1034540700.db2.gz YFKMBBNNXQKDKI-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1csc2cnccc12 ZINC001174673621 1034541302 /nfs/dbraw/zinc/54/13/02/1034541302.db2.gz JUPXBPCNROOKRV-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(C)ccnc2c1 ZINC001174677260 1034542460 /nfs/dbraw/zinc/54/24/60/1034542460.db2.gz UYBMRHIJYIDNNV-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(N)ccc(Cl)c1C ZINC001174677012 1034542943 /nfs/dbraw/zinc/54/29/43/1034542943.db2.gz RBOXLQPFYDMULO-UHFFFAOYSA-N -1 0 306.749 3.681 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1Br ZINC001174676843 1034543352 /nfs/dbraw/zinc/54/33/52/1034543352.db2.gz JCWZTWICPZBGFR-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2cccc(N)c21 ZINC001174677461 1034545414 /nfs/dbraw/zinc/54/54/14/1034545414.db2.gz YYIVPIPKTSAWAI-UHFFFAOYSA-N -1 0 308.337 3.872 20 0 DHADRM COc1cc(Nc2cccc(Br)c2)ccc1C(=O)[O-] ZINC001174684690 1034547960 /nfs/dbraw/zinc/54/79/60/1034547960.db2.gz GAGHJKTWRQXHLW-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1cc(Nc2cnc3c(F)cccc3c2)ccc1C(=O)[O-] ZINC001174683779 1034548389 /nfs/dbraw/zinc/54/83/89/1034548389.db2.gz CXDCZAJYDFQTIW-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC001174688300 1034549651 /nfs/dbraw/zinc/54/96/51/1034549651.db2.gz UMDUKASKKKPCQJ-UHFFFAOYSA-N -1 0 301.342 3.762 20 0 DHADRM COc1cc(Nc2cccc3cc(F)cnc32)ccc1C(=O)[O-] ZINC001174686179 1034550291 /nfs/dbraw/zinc/55/02/91/1034550291.db2.gz KRLHADZUACSYHG-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(Nc2ccc(N3CCOCC3)cc2)ccc1[S-] ZINC001174711937 1034575134 /nfs/dbraw/zinc/57/51/34/1034575134.db2.gz NUCYVRGIFJBMKK-UHFFFAOYSA-N -1 0 316.426 3.564 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc(O)c(F)c2)c1Cl ZINC001174733055 1034585391 /nfs/dbraw/zinc/58/53/91/1034585391.db2.gz FHLMZRMMLVIIHM-UHFFFAOYSA-N -1 0 307.083 3.821 20 0 DHADRM O=c1cc(C2CCOCC2)[n-]n1-c1cc(Cl)ccc1Cl ZINC000899348888 1034592553 /nfs/dbraw/zinc/59/25/53/1034592553.db2.gz OHOQHYOGKLGNCP-UHFFFAOYSA-N -1 0 313.184 3.513 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc2ncccc21 ZINC000899348472 1034593107 /nfs/dbraw/zinc/59/31/07/1034593107.db2.gz ZQVPMSAYVHKQTR-ZDUSSCGKSA-N -1 0 319.286 3.526 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cc(F)cc(Cl)c1 ZINC000899351699 1034597692 /nfs/dbraw/zinc/59/76/92/1034597692.db2.gz RHKOWYBLVKMDRX-SNVBAGLBSA-N -1 0 320.673 3.770 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cc(F)cc(Cl)c1 ZINC000899351698 1034598651 /nfs/dbraw/zinc/59/86/51/1034598651.db2.gz RHKOWYBLVKMDRX-JTQLQIEISA-N -1 0 320.673 3.770 20 0 DHADRM O=c1c2c([n-]n1-c1ccc(Cl)c(Br)c1)CCC2 ZINC000899363603 1034599798 /nfs/dbraw/zinc/59/97/98/1034599798.db2.gz QCHJREIRQOGRCM-MRVPVSSYSA-N -1 0 313.582 3.605 20 0 DHADRM Cc1c(-c2cnccn2)[n-]n([C@@H](C)c2ccc(C(C)C)cc2)c1=O ZINC000899360823 1034606516 /nfs/dbraw/zinc/60/65/16/1034606516.db2.gz QCFREDZLIXCKOQ-KBPBESRZSA-N -1 0 322.412 3.544 20 0 DHADRM O=c1cc(CCc2ccccc2)[n-]n1C1CCC(F)(F)CC1 ZINC000899367185 1034614480 /nfs/dbraw/zinc/61/44/80/1034614480.db2.gz XUMRNJKGRHCDPX-UHFFFAOYSA-N -1 0 306.356 3.785 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(Cl)c3nsnc32)s1 ZINC001174806670 1034630901 /nfs/dbraw/zinc/63/09/01/1034630901.db2.gz CVNJCNRHESKPRU-UHFFFAOYSA-N -1 0 311.775 3.848 20 0 DHADRM Cc1cnc(Nc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC001174803661 1034631548 /nfs/dbraw/zinc/63/15/48/1034631548.db2.gz XNPJSLGZFRLGQT-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM CCOC(=O)c1c(C)csc1Nc1ccc(C(=O)[O-])s1 ZINC001174806114 1034631767 /nfs/dbraw/zinc/63/17/67/1034631767.db2.gz SLWBCVWTIRQKDS-UHFFFAOYSA-N -1 0 311.384 3.737 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])s2)ccc1N1CCCC1 ZINC001174807189 1034632819 /nfs/dbraw/zinc/63/28/19/1034632819.db2.gz GXROEEGKKVXQOV-UHFFFAOYSA-N -1 0 318.398 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CC(C)NC(=O)c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176594957 1035293094 /nfs/dbraw/zinc/29/30/94/1035293094.db2.gz BZJLEBJPWVCNAV-DHZHZOJOSA-N -1 0 324.380 3.666 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000668314475 1035318854 /nfs/dbraw/zinc/31/88/54/1035318854.db2.gz QCHIDJJSRBHFAP-CQSZACIVSA-N -1 0 321.392 3.567 20 0 DHADRM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194748344 1035319141 /nfs/dbraw/zinc/31/91/41/1035319141.db2.gz CZOWTEOKAPCPOW-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM Cc1ccc([C@@H]2CCN(C(=O)CC(C)(C)CC(=O)[O-])C2)c(C)c1 ZINC000668322219 1035323715 /nfs/dbraw/zinc/32/37/15/1035323715.db2.gz PIIQBLOYUKXBDO-OAHLLOKOSA-N -1 0 317.429 3.510 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000668323515 1035323771 /nfs/dbraw/zinc/32/37/71/1035323771.db2.gz ZZTHXHBAYCGNNF-OAHLLOKOSA-N -1 0 317.429 3.602 20 0 DHADRM CCCOc1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1 ZINC000194765110 1035323775 /nfs/dbraw/zinc/32/37/75/1035323775.db2.gz NDZROTZVNDBZBT-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C(C)C)C2CC(C)(C)C2)c1 ZINC000668325475 1035324708 /nfs/dbraw/zinc/32/47/08/1035324708.db2.gz UIBWNBGVICPQHN-UHFFFAOYSA-N -1 0 303.402 3.732 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)cc(Br)n1 ZINC001176708960 1035325707 /nfs/dbraw/zinc/32/57/07/1035325707.db2.gz FEPAVZRZKDNGSU-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM COc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])cc2)n(C)n1 ZINC001176707589 1035325734 /nfs/dbraw/zinc/32/57/34/1035325734.db2.gz MLCQBMOJJGBCRJ-UHFFFAOYSA-N -1 0 323.352 3.538 20 0 DHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(C(=O)[O-])cc1 ZINC001176707994 1035325942 /nfs/dbraw/zinc/32/59/42/1035325942.db2.gz RXNQQPJUEXLITE-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])cc1 ZINC001176708854 1035326148 /nfs/dbraw/zinc/32/61/48/1035326148.db2.gz AFYGYIHQKPXSMX-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(OC(F)(F)F)ccc2O)cc1 ZINC001176713949 1035326424 /nfs/dbraw/zinc/32/64/24/1035326424.db2.gz YTFKPQGTOGJQEM-UHFFFAOYSA-N -1 0 313.231 3.733 20 0 DHADRM O=C(Nc1ccc2cc[nH]c2c1)c1cc(F)c(F)c([O-])c1F ZINC000194811137 1035330489 /nfs/dbraw/zinc/33/04/89/1035330489.db2.gz CHKZGFNWJSHYNT-UHFFFAOYSA-N -1 0 306.243 3.543 20 0 DHADRM Cc1nn(C)c(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1Cl ZINC000904015466 1035338992 /nfs/dbraw/zinc/33/89/92/1035338992.db2.gz OTGNQOCFXGIBEE-JTQLQIEISA-N -1 0 321.808 3.572 20 0 DHADRM CCc1ccc(CNc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000904012387 1035345050 /nfs/dbraw/zinc/34/50/50/1035345050.db2.gz XDJJKTGGRBAGCS-UHFFFAOYSA-N -1 0 305.399 3.776 20 0 DHADRM CC(C)CCC[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000904037156 1035349290 /nfs/dbraw/zinc/34/92/90/1035349290.db2.gz WMUREJNWSLJLQY-MRXNPFEDSA-N -1 0 316.401 3.711 20 0 DHADRM CCOc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904194832 1035384029 /nfs/dbraw/zinc/38/40/29/1035384029.db2.gz MSBLCKOVHYQRKK-KBPBESRZSA-N -1 0 324.808 3.729 20 0 DHADRM C[C@H](Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)C(=O)[O-] ZINC000904201054 1035384256 /nfs/dbraw/zinc/38/42/56/1035384256.db2.gz ZEVQDDWUKXCVFS-IUCAKERBSA-N -1 0 320.241 3.858 20 0 DHADRM CSCCc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904198859 1035384264 /nfs/dbraw/zinc/38/42/64/1035384264.db2.gz DLLBNFQEOZGPRH-CABCVRRESA-N -1 0 320.458 3.583 20 0 DHADRM CSCc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1 ZINC000904201203 1035384716 /nfs/dbraw/zinc/38/47/16/1035384716.db2.gz YDUQFIJZHAEMLQ-KGLIPLIRSA-N -1 0 306.431 3.540 20 0 DHADRM CSCc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904201210 1035384728 /nfs/dbraw/zinc/38/47/28/1035384728.db2.gz YGHHSNJWGUXGRB-KBPBESRZSA-N -1 0 306.431 3.540 20 0 DHADRM CSc1ccc(C)c(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904203986 1035385600 /nfs/dbraw/zinc/38/56/00/1035385600.db2.gz HWHYGASQCGNSSJ-ZIAGYGMSSA-N -1 0 306.431 3.708 20 0 DHADRM CC(C)Oc1cc(F)ccc1N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904230534 1035386694 /nfs/dbraw/zinc/38/66/94/1035386694.db2.gz CARDSOKFDAMSDL-LSDHHAIUSA-N -1 0 322.380 3.604 20 0 DHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(F)c(C(F)F)c2)C12CCC2 ZINC000904254443 1035392498 /nfs/dbraw/zinc/39/24/98/1035392498.db2.gz IIXGCTRWJYSHFI-NWDGAFQWSA-N -1 0 314.307 3.754 20 0 DHADRM CC(C)(C)C(=O)Nc1ccc(-c2cc([O-])c(F)c(F)c2)cn1 ZINC000904757635 1035448236 /nfs/dbraw/zinc/44/82/36/1035448236.db2.gz JGRKJWJCVNMCED-UHFFFAOYSA-N -1 0 306.312 3.717 20 0 DHADRM O=C([O-])C1(c2nc(-c3ccc(Cl)cc3)cs2)CCOCC1 ZINC000905002166 1035474103 /nfs/dbraw/zinc/47/41/03/1035474103.db2.gz MZVSEJRTVDVSCF-UHFFFAOYSA-N -1 0 323.801 3.596 20 0 DHADRM Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC001179389205 1035476451 /nfs/dbraw/zinc/47/64/51/1035476451.db2.gz CJARIODAQSAZLQ-JOCHJYFZSA-N -1 0 317.410 3.615 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)NC[C@H](CC)C(=O)[O-] ZINC000905055620 1035478309 /nfs/dbraw/zinc/47/83/09/1035478309.db2.gz HZQXHFUCHVYQEG-ZDUSSCGKSA-N -1 0 320.433 3.995 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000905111689 1035480938 /nfs/dbraw/zinc/48/09/38/1035480938.db2.gz MQNRBXUDDBDQDC-OXJNMPFZSA-N -1 0 323.392 3.593 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1sccc1C1CC1 ZINC000905270040 1035495181 /nfs/dbraw/zinc/49/51/81/1035495181.db2.gz WJHBSRINUIDZJT-UHFFFAOYSA-N -1 0 301.367 3.884 20 0 DHADRM CCCc1nc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cs1 ZINC000905378029 1035512292 /nfs/dbraw/zinc/51/22/92/1035512292.db2.gz CHGQSZOWQVMNEV-MRXNPFEDSA-N -1 0 318.442 3.628 20 0 DHADRM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCCCO1 ZINC000457686039 1035591065 /nfs/dbraw/zinc/59/10/65/1035591065.db2.gz IZTKWNDGOHPPML-CYBMUJFWSA-N -1 0 304.173 3.597 20 0 DHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000190980485 1035649818 /nfs/dbraw/zinc/64/98/18/1035649818.db2.gz DTUUQPSRESQCAT-UHFFFAOYSA-N -1 0 322.455 3.945 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1C ZINC001180439325 1035674661 /nfs/dbraw/zinc/67/46/61/1035674661.db2.gz BMMYMQJPWVUJRU-CQSZACIVSA-N -1 0 303.402 3.516 20 0 DHADRM Cc1c(Cl)cc(NC(=O)[C@]2(C)CCCO2)c([O-])c1Cl ZINC001180475893 1035678947 /nfs/dbraw/zinc/67/89/47/1035678947.db2.gz XQPJRERAKUHPSK-ZDUSSCGKSA-N -1 0 304.173 3.515 20 0 DHADRM Cc1cc(F)ncc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001193631211 1035680591 /nfs/dbraw/zinc/68/05/91/1035680591.db2.gz HWZJBLPORMMLIZ-UHFFFAOYSA-N -1 0 315.131 3.794 20 0 DHADRM Nc1cccc2cccc(NC(=O)c3ccc(F)c([O-])c3F)c12 ZINC001193783424 1035723312 /nfs/dbraw/zinc/72/33/12/1035723312.db2.gz AXQRDJJTSCWABT-UHFFFAOYSA-N -1 0 314.291 3.658 20 0 DHADRM CCC[C@H](CCCCNC(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC000905993197 1035723649 /nfs/dbraw/zinc/72/36/49/1035723649.db2.gz AZWUFPLAHJVOQC-CYBMUJFWSA-N -1 0 324.396 3.643 20 0 DHADRM O=C(Nc1cccc2cncc(F)c21)c1ccc(F)c([O-])c1F ZINC001193789125 1035725764 /nfs/dbraw/zinc/72/57/64/1035725764.db2.gz JMXAWQFCEZZQRY-UHFFFAOYSA-N -1 0 318.254 3.610 20 0 DHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000443476977 1035732110 /nfs/dbraw/zinc/73/21/10/1035732110.db2.gz ORSSEUOVXBTNHN-UHFFFAOYSA-N -1 0 316.473 3.611 20 0 DHADRM Cc1sc(C(=O)[O-])cc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000519001326 1035737479 /nfs/dbraw/zinc/73/74/79/1035737479.db2.gz XCEJQXMHULEFOT-AWEZNQCLSA-N -1 0 318.394 3.727 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000773900760 1035831502 /nfs/dbraw/zinc/83/15/02/1035831502.db2.gz TWCBKKNUGCVMBW-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM O=S(=O)([N-]c1cnsc1)c1ccc(-c2cccs2)cc1 ZINC001194146039 1035849051 /nfs/dbraw/zinc/84/90/51/1035849051.db2.gz PSZJTWIMIIRJRV-UHFFFAOYSA-N -1 0 322.436 3.672 20 0 DHADRM CC(/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-])=C/c1ccccc1 ZINC000195174400 1035859612 /nfs/dbraw/zinc/85/96/12/1035859612.db2.gz GLRLQPVUNREWCH-GHYOLMRSSA-N -1 0 310.309 3.805 20 0 DHADRM CC[C@@H](C(=O)[O-])c1ccc(-c2ccc(C(=O)NC)c(C)c2)cc1 ZINC000906251469 1035862606 /nfs/dbraw/zinc/86/26/06/1035862606.db2.gz VRBBZTOYPFETKK-MRXNPFEDSA-N -1 0 311.381 3.600 20 0 DHADRM CCOCc1ccc(-c2ccc([C@H](OC)C(=O)[O-])s2)cc1F ZINC000906238583 1035873522 /nfs/dbraw/zinc/87/35/22/1035873522.db2.gz FPRFTTSRGPHCMI-HNNXBMFYSA-N -1 0 324.373 3.863 20 0 DHADRM CC(C)CO[C@@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000539821804 1035874291 /nfs/dbraw/zinc/87/42/91/1035874291.db2.gz MEIGWGJCVKMKJL-JTQLQIEISA-N -1 0 321.398 3.599 20 0 DHADRM O=S(=O)([N-]c1cccnc1)c1ccc2c(Cl)cccc2c1 ZINC001194215379 1035877819 /nfs/dbraw/zinc/87/78/19/1035877819.db2.gz ABDCDWLUPUMSOP-UHFFFAOYSA-N -1 0 318.785 3.689 20 0 DHADRM O=C(Nc1nsc2ncccc12)c1ccc(C(F)(F)F)o1 ZINC001194404992 1035923072 /nfs/dbraw/zinc/92/30/72/1035923072.db2.gz HZMUXMTYIICVTO-UHFFFAOYSA-N -1 0 313.260 3.555 20 0 DHADRM O=S(=O)([N-]c1cnsc1)c1cccc2c(Cl)cccc21 ZINC001194414052 1035924053 /nfs/dbraw/zinc/92/40/53/1035924053.db2.gz VATAFLMCXPLLPL-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC000193923161 1035950256 /nfs/dbraw/zinc/95/02/56/1035950256.db2.gz 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Cc1nc2sc(-c3ccccc3)cc2c(N[C@H](C)C(=O)[O-])n1 ZINC000058279586 184098749 /nfs/dbraw/zinc/09/87/49/184098749.db2.gz LHSZGUWOMOXNHS-SECBINFHSA-N -1 0 313.382 3.552 20 0 DHADRM COc1c(C(=O)[O-])cccc1-c1cccc(OC(F)(F)F)c1 ZINC000065354786 184327471 /nfs/dbraw/zinc/32/74/71/184327471.db2.gz LPSIRMSUTNVREG-UHFFFAOYSA-N -1 0 312.243 3.959 20 0 DHADRM O=C(Nc1ccc(OC(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000066041810 184385540 /nfs/dbraw/zinc/38/55/40/184385540.db2.gz DMVNKUAGDSOITI-UHFFFAOYSA-N -1 0 315.222 3.524 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(O)c(C)c1)c1nc(C)cs1 ZINC000272429656 130028695 /nfs/dbraw/zinc/02/86/95/130028695.db2.gz LFGJHCOHDXPGJC-INIZCTEOSA-N -1 0 304.415 3.521 20 0 DHADRM Cc1noc(-c2ccccc2)c1NC(=O)NOC1CCCC1 ZINC000274891232 130270688 /nfs/dbraw/zinc/27/06/88/130270688.db2.gz PXHQIQQSAMXPDW-UHFFFAOYSA-N -1 0 301.346 3.646 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000283182410 130967670 /nfs/dbraw/zinc/96/76/70/130967670.db2.gz VHJYFKIRUFCHMB-VIFPVBQESA-N -1 0 310.806 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314.385 3.692 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000345967032 335364522 /nfs/dbraw/zinc/36/45/22/335364522.db2.gz UTYBVNMXOZUZTK-CQSZACIVSA-N -1 0 315.369 3.586 20 0 DHADRM Cc1nn(C(C)C)cc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000346688721 335429698 /nfs/dbraw/zinc/42/96/98/335429698.db2.gz OCQJMLGMGQEKOC-SREVYHEPSA-N -1 0 314.389 3.554 20 0 DHADRM CC(C)c1noc(=N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)[n-]1 ZINC000346876402 335447393 /nfs/dbraw/zinc/44/73/93/335447393.db2.gz XLBNMLZKHOGTQZ-PWSUYJOCSA-N -1 0 311.307 3.602 20 0 DHADRM Cc1cc(F)ccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191404910 335743637 /nfs/dbraw/zinc/74/36/37/335743637.db2.gz FQYBBOWDPWEXIC-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC000191405447 335743713 /nfs/dbraw/zinc/74/37/13/335743713.db2.gz DIGYYXGVXXCZJG-LLVKDONJSA-N -1 0 317.772 3.856 20 0 DHADRM C[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCS1 ZINC000191943607 336005786 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ZINC000352640749 336228173 /nfs/dbraw/zinc/22/81/73/336228173.db2.gz SUVXBZQFRROHGV-UHFFFAOYSA-N -1 0 313.344 3.821 20 0 DHADRM CSc1nsc(N=C([O-])Nc2csc3ccccc23)n1 ZINC000352833091 336270360 /nfs/dbraw/zinc/27/03/60/336270360.db2.gz WVPSZKYBDPHNHU-UHFFFAOYSA-N -1 0 322.440 3.541 20 0 DHADRM Cc1cccc(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000192851371 336271499 /nfs/dbraw/zinc/27/14/99/336271499.db2.gz DVCZRMBVYPPULM-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1C(=O)[O-] ZINC000324938854 336275312 /nfs/dbraw/zinc/27/53/12/336275312.db2.gz PVTFKQKPHLWOQH-UHFFFAOYSA-N -1 0 320.348 3.736 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000192922685 336284355 /nfs/dbraw/zinc/28/43/55/336284355.db2.gz XGLDNZXJONRHLX-UHFFFAOYSA-N -1 0 313.334 3.959 20 0 DHADRM CCc1ccc([C@@H]2CCCCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC000582247008 336393489 /nfs/dbraw/zinc/39/34/89/336393489.db2.gz YINYREHEQFASDM-ZDUSSCGKSA-N -1 0 320.414 3.724 20 0 DHADRM CCOc1ccc(-c2ccsc2CC(=O)[O-])cc1OCC ZINC000582252765 336395317 /nfs/dbraw/zinc/39/53/17/336395317.db2.gz QTVPNEUBCGDFTJ-UHFFFAOYSA-N -1 0 306.383 3.840 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])o1 ZINC000353884529 336445938 /nfs/dbraw/zinc/44/59/38/336445938.db2.gz ANLIFZWAMHOAGE-UHFFFAOYSA-N -1 0 301.726 3.752 20 0 DHADRM O=C([O-])COc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1 ZINC000354179734 336462736 /nfs/dbraw/zinc/46/27/36/336462736.db2.gz OUKDXDUHWZGVIO-CLFYSBASSA-N -1 0 321.332 3.574 20 0 DHADRM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(Cl)o2)c(F)c1F ZINC000355861401 336525210 /nfs/dbraw/zinc/52/52/10/336525210.db2.gz UCCQNKDBRGTPLB-UHFFFAOYSA-N -1 0 317.650 3.805 20 0 DHADRM CC1CCC(C)(CNC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000357351873 336582084 /nfs/dbraw/zinc/58/20/84/336582084.db2.gz CUHRMRHWKBBDHC-UHFFFAOYSA-N -1 0 315.335 3.756 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)o1 ZINC000358515849 336633365 /nfs/dbraw/zinc/63/33/65/336633365.db2.gz OQLNUKHXTPWUBD-UHFFFAOYSA-N -1 0 323.267 3.547 20 0 DHADRM CCOc1cccc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])c1 ZINC000361175027 336742287 /nfs/dbraw/zinc/74/22/87/336742287.db2.gz BWMWCTHNBCZYKS-UHFFFAOYSA-N -1 0 313.353 3.636 20 0 DHADRM c1cncc(-c2cccc(CN=c3nc(C4CC4)[n-]s3)c2)c1 ZINC000361666931 336767980 /nfs/dbraw/zinc/76/79/80/336767980.db2.gz NLUSYDRXUHYCAW-UHFFFAOYSA-N -1 0 308.410 3.512 20 0 DHADRM O=C([O-])c1cc(NCc2cc(Cl)cc3c2OCC3)ccc1F ZINC000362348424 336793370 /nfs/dbraw/zinc/79/33/70/336793370.db2.gz IRAOFGNUMFYQOT-UHFFFAOYSA-N -1 0 321.735 3.724 20 0 DHADRM Cc1oc(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C(=O)[O-] ZINC000362582370 336805247 /nfs/dbraw/zinc/80/52/47/336805247.db2.gz XXLVQSHIUKPXBE-YPMHNXCESA-N -1 0 321.417 3.755 20 0 DHADRM CC[C@@H](C)c1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)on1 ZINC000362625322 336806888 /nfs/dbraw/zinc/80/68/88/336806888.db2.gz AHOPPUAGDNZTIS-SECBINFHSA-N -1 0 316.357 3.755 20 0 DHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccccc2C)s1 ZINC000362729361 336810229 /nfs/dbraw/zinc/81/02/29/336810229.db2.gz PGDFCTUTYULBDZ-UHFFFAOYSA-N -1 0 310.444 3.513 20 0 DHADRM CCCC[C@@H](CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000368312269 336842238 /nfs/dbraw/zinc/84/22/38/336842238.db2.gz KNWKSJPVNRCXGK-HYVNUMGLSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000370721946 336892032 /nfs/dbraw/zinc/89/20/32/336892032.db2.gz AYGZLLLNKZENJQ-IHRRRGAJSA-N -1 0 321.442 3.611 20 0 DHADRM C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000371999417 336918623 /nfs/dbraw/zinc/91/86/23/336918623.db2.gz PMSZUPIYCQTXBE-MWLCHTKSSA-N -1 0 323.364 3.750 20 0 DHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)sc1C ZINC000193461197 336942319 /nfs/dbraw/zinc/94/23/19/336942319.db2.gz GOWLAWLVWMQPAW-AWEZNQCLSA-N -1 0 317.410 3.701 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(C)s1 ZINC000193482302 337005452 /nfs/dbraw/zinc/00/54/52/337005452.db2.gz DOPNDCNZADHOIC-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H]1c1ccccc1 ZINC000375734719 337018233 /nfs/dbraw/zinc/01/82/33/337018233.db2.gz XORQJNUNLPPFCB-CQSZACIVSA-N -1 0 305.736 3.772 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H]1c1ccccc1 ZINC000375734717 337018256 /nfs/dbraw/zinc/01/82/56/337018256.db2.gz XORQJNUNLPPFCB-AWEZNQCLSA-N -1 0 305.736 3.772 20 0 DHADRM COC(=O)c1c[nH]c(SC/C=C/c2ccc(Cl)cc2)n1 ZINC000193559535 337078404 /nfs/dbraw/zinc/07/84/04/337078404.db2.gz ZMUNXVPYWYXVCC-NSCUHMNNSA-N -1 0 308.790 3.655 20 0 DHADRM O=C(Nc1ccccc1OC1CCCC1)c1ccc(O)cc1O ZINC000193715475 337079240 /nfs/dbraw/zinc/07/92/40/337079240.db2.gz AFJMSXCJUVLUFU-UHFFFAOYSA-N -1 0 313.353 3.672 20 0 DHADRM COc1cccc(-c2ccccc2CC2(C(=O)[O-])CC2)c1OC ZINC000582498039 337102199 /nfs/dbraw/zinc/10/21/99/337102199.db2.gz IOVBTPJMWAJTIY-UHFFFAOYSA-N -1 0 312.365 3.778 20 0 DHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000582677177 337122436 /nfs/dbraw/zinc/12/24/36/337122436.db2.gz PJYKVWKLDWOKGI-BLLLJJGKSA-N -1 0 317.410 3.574 20 0 DHADRM O=C([O-])c1cccc(CN2CCc3ccc(F)cc32)c1Cl ZINC000394673977 337127210 /nfs/dbraw/zinc/12/72/10/337127210.db2.gz UPUALTKMFWFKSQ-UHFFFAOYSA-N -1 0 305.736 3.740 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(c2ccccc2)CC1 ZINC000177020748 337152886 /nfs/dbraw/zinc/15/28/86/337152886.db2.gz FCUJIFSHAYXTHA-UHFFFAOYSA-N -1 0 317.335 3.690 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccn(C2CCCC2)n1 ZINC000177815512 337157688 /nfs/dbraw/zinc/15/76/88/337157688.db2.gz QOHQMBYBWZXZFV-UHFFFAOYSA-N -1 0 305.765 3.610 20 0 DHADRM CN(C(=O)Cc1ccc(O)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000178236423 337161627 /nfs/dbraw/zinc/16/16/27/337161627.db2.gz JIOGHZJCWJMDFP-QGZVFWFLSA-N -1 0 315.800 3.734 20 0 DHADRM CC(C)c1nc(/C=C/c2cc(F)c(F)cc2F)ncc1C(=O)[O-] ZINC000178324540 337163943 /nfs/dbraw/zinc/16/39/43/337163943.db2.gz UZJYOFGEYVEFRN-ONEGZZNKSA-N -1 0 322.286 3.886 20 0 DHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC000582852138 337210442 /nfs/dbraw/zinc/21/04/42/337210442.db2.gz VOBZISCRZALWIH-GWCFXTLKSA-N -1 0 320.414 3.716 20 0 DHADRM Oc1cc(F)cc(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000186213554 337254725 /nfs/dbraw/zinc/25/47/25/337254725.db2.gz KTGWFKRTVGPUJW-QGZVFWFLSA-N -1 0 321.779 3.758 20 0 DHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000321294837 337255358 /nfs/dbraw/zinc/25/53/58/337255358.db2.gz HUSRAIVFSDXDGD-MRXNPFEDSA-N -1 0 324.405 3.726 20 0 DHADRM Cc1ccc(/C=C\C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000321311048 337256955 /nfs/dbraw/zinc/25/69/55/337256955.db2.gz QWCDLTPSSFOFGB-KHPPLWFESA-N -1 0 313.353 3.602 20 0 DHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000187079060 337261675 /nfs/dbraw/zinc/26/16/75/337261675.db2.gz KEHFRUYUHJXMQV-UHFFFAOYSA-N -1 0 323.395 3.612 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000188965919 337277019 /nfs/dbraw/zinc/27/70/19/337277019.db2.gz KGPZMMCUEBJVJC-LSDHHAIUSA-N -1 0 319.401 3.504 20 0 DHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000190897061 337290424 /nfs/dbraw/zinc/29/04/24/337290424.db2.gz OGXYSRGRGTTZIW-UHFFFAOYSA-N -1 0 308.765 3.793 20 0 DHADRM CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000013180749 337308133 /nfs/dbraw/zinc/30/81/33/337308133.db2.gz DKPMGLJHQPDRPK-UHFFFAOYSA-N -1 0 320.732 3.583 20 0 DHADRM Cc1occc1CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583758025 337330497 /nfs/dbraw/zinc/33/04/97/337330497.db2.gz QORZHMJUJRHTNF-CQSZACIVSA-N -1 0 311.740 3.638 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036339768 337353064 /nfs/dbraw/zinc/35/30/64/337353064.db2.gz MYCWEFXLSZJUIE-CYBMUJFWSA-N -1 0 319.188 3.758 20 0 DHADRM CC(C)Oc1c(Cl)cccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000521462109 337426973 /nfs/dbraw/zinc/42/69/73/337426973.db2.gz BGSPQLPROHPVTL-JTQLQIEISA-N -1 0 313.781 3.567 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC000425236982 337442171 /nfs/dbraw/zinc/44/21/71/337442171.db2.gz GIMIRDJLAIAWPR-ZENOOKHLSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCC2)cc1 ZINC000236602596 337464059 /nfs/dbraw/zinc/46/40/59/337464059.db2.gz SRNJYBGDEDWKLF-MRXNPFEDSA-N -1 0 317.429 3.806 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000236808599 337465657 /nfs/dbraw/zinc/46/56/57/337465657.db2.gz CPMZNCLRSIKPFB-QGZVFWFLSA-N -1 0 303.402 3.535 20 0 DHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236929175 337466732 /nfs/dbraw/zinc/46/67/32/337466732.db2.gz AJFOSBJQUTWRCR-UHFFFAOYSA-N -1 0 323.801 3.762 20 0 DHADRM C[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1F ZINC000237344991 337468588 /nfs/dbraw/zinc/46/85/88/337468588.db2.gz MBOHHKVBDMSOCP-LBPRGKRZSA-N -1 0 315.344 3.585 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000237469705 337468731 /nfs/dbraw/zinc/46/87/31/337468731.db2.gz YTWRBXFZTDEVPF-VIFPVBQESA-N -1 0 323.801 3.662 20 0 DHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000237696014 337469283 /nfs/dbraw/zinc/46/92/83/337469283.db2.gz GEJIEDYUSPSYCN-JKSUJKDBSA-N -1 0 313.328 3.575 20 0 DHADRM Cc1cc(NC(=O)c2cc3c(cccc3F)[nH]2)ccc1C(=O)[O-] ZINC000237832650 337469582 /nfs/dbraw/zinc/46/95/82/337469582.db2.gz GAYHUSVVKRKHAG-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM c1ccc2c(c1)COC[C@H]2N=c1nc(C2CCCCC2)[n-]s1 ZINC000420655635 337509948 /nfs/dbraw/zinc/50/99/48/337509948.db2.gz SCLMIBSAHVOYHO-OAHLLOKOSA-N -1 0 315.442 3.691 20 0 DHADRM C/C=C\C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000571978705 337584972 /nfs/dbraw/zinc/58/49/72/337584972.db2.gz CGOVMFQRJPGDDJ-MXQLGCADSA-N -1 0 317.172 3.534 20 0 DHADRM CCc1oc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000261619309 337608111 /nfs/dbraw/zinc/60/81/11/337608111.db2.gz HMWMBOXPESREPB-GFCCVEGCSA-N -1 0 315.369 3.682 20 0 DHADRM CCc1oc(C(=O)NCc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000261717495 337609038 /nfs/dbraw/zinc/60/90/38/337609038.db2.gz WAYQNFXXCDCPPI-UHFFFAOYSA-N -1 0 315.369 3.594 20 0 DHADRM O=C([O-])c1ccc2oc(/C=C\c3ccc(F)cc3F)nc2c1 ZINC000572353261 337613769 /nfs/dbraw/zinc/61/37/69/337613769.db2.gz CYXZDKMBNSRENS-UTCJRWHESA-N -1 0 301.248 3.975 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262188472 337615778 /nfs/dbraw/zinc/61/57/78/337615778.db2.gz YLRTZZLKSMJVIL-QWRGUYRKSA-N -1 0 323.355 3.505 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C2=C(C)CCC2)cc1 ZINC000262201305 337616399 /nfs/dbraw/zinc/61/63/99/337616399.db2.gz QXYREWFKEYIXFT-HNNXBMFYSA-N -1 0 319.426 3.541 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1SC(C)C)C(=O)[O-] ZINC000262405301 337617282 /nfs/dbraw/zinc/61/72/82/337617282.db2.gz AQSCLGYDEVATEF-ZDUSSCGKSA-N -1 0 323.458 3.664 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262406175 337617320 /nfs/dbraw/zinc/61/73/20/337617320.db2.gz IDTYRNNONQFUKX-MRXNPFEDSA-N -1 0 309.450 3.696 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC(C)(C)C1 ZINC000262497940 337618704 /nfs/dbraw/zinc/61/87/04/337618704.db2.gz XTSKOCVIGGUZHE-KFWWJZLASA-N -1 0 321.461 3.552 20 0 DHADRM CC(C)(CCC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000262670942 337620372 /nfs/dbraw/zinc/62/03/72/337620372.db2.gz QVZNKXJYJXBXFT-UHFFFAOYSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000262705421 337620809 /nfs/dbraw/zinc/62/08/09/337620809.db2.gz JHVZCWARUOPULR-JCYILVPMSA-N -1 0 315.413 3.550 20 0 DHADRM O=C([O-])C1CCC(Nc2ccccc2CC(F)(F)F)CC1 ZINC000262950285 337622497 /nfs/dbraw/zinc/62/24/97/337622497.db2.gz AUBBBSVRQPYPRZ-UHFFFAOYSA-N -1 0 301.308 3.847 20 0 DHADRM C[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262941712 337622596 /nfs/dbraw/zinc/62/25/96/337622596.db2.gz NNBAFFRPDGLETH-KKUMJFAQSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000262876745 337622628 /nfs/dbraw/zinc/62/26/28/337622628.db2.gz AOESFTFBSXDGAB-QGZVFWFLSA-N -1 0 321.442 3.514 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000262989154 337622744 /nfs/dbraw/zinc/62/27/44/337622744.db2.gz 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ZINC000263292174 337626247 /nfs/dbraw/zinc/62/62/47/337626247.db2.gz RGKFIDKMZWGBGP-CQSZACIVSA-N -1 0 317.429 3.502 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000263330164 337626380 /nfs/dbraw/zinc/62/63/80/337626380.db2.gz PRNWSJWJHDBCTR-LLVKDONJSA-N -1 0 315.394 3.514 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@H](C)c2ccccc2)c1 ZINC000263333971 337626464 /nfs/dbraw/zinc/62/64/64/337626464.db2.gz QMLWNTKXXGKGNF-AWEZNQCLSA-N -1 0 311.381 3.569 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC000263397675 337627756 /nfs/dbraw/zinc/62/77/56/337627756.db2.gz IAMWSKCDVSIGGG-AWEZNQCLSA-N -1 0 324.380 3.570 20 0 DHADRM CC[C@H](C)n1ncc(NC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000263435352 337628959 /nfs/dbraw/zinc/62/89/59/337628959.db2.gz UILHKVSEBOQSOE-XGNXJENSSA-N -1 0 305.422 3.787 20 0 DHADRM CN(CCC(=O)[O-])c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000263449031 337629465 /nfs/dbraw/zinc/62/94/65/337629465.db2.gz ZSPFAJLRMGFSJF-UHFFFAOYSA-N -1 0 314.719 3.737 20 0 DHADRM 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338318222 /nfs/dbraw/zinc/31/82/22/338318222.db2.gz QPAUZCVICJJCIB-UHFFFAOYSA-N -1 0 323.414 3.814 20 0 DHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)ccc1O ZINC000438608426 338349794 /nfs/dbraw/zinc/34/97/94/338349794.db2.gz MUDDJLGSYHJDRY-JTQLQIEISA-N -1 0 309.715 3.752 20 0 DHADRM O=C(Nc1ncccc1O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880545 338354672 /nfs/dbraw/zinc/35/46/72/338354672.db2.gz ISLSABJWBGKNBN-VXGBXAGGSA-N -1 0 323.179 3.836 20 0 DHADRM CC(=O)Nc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc1 ZINC000439280668 338365825 /nfs/dbraw/zinc/36/58/25/338365825.db2.gz XAOMMEWYNPKVAD-WTKPLQERSA-N -1 0 322.320 3.655 20 0 DHADRM Cc1cccc2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)oc21 ZINC000439703818 338376134 /nfs/dbraw/zinc/37/61/34/338376134.db2.gz ADBGKGSLVZIXFP-AWEZNQCLSA-N -1 0 321.332 3.570 20 0 DHADRM CCSc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000439914962 338380729 /nfs/dbraw/zinc/38/07/29/338380729.db2.gz WQPGEAOZFYXGQP-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc(C3CCC3)cc2)c1 ZINC000439927274 338381011 /nfs/dbraw/zinc/38/10/11/338381011.db2.gz FATGLUICVCDBTO-UHFFFAOYSA-N -1 0 323.392 3.625 20 0 DHADRM Cc1ccc(CC[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)o1 ZINC000440270901 338384962 /nfs/dbraw/zinc/38/49/62/338384962.db2.gz KQPBIKIPILXHNT-JTQLQIEISA-N -1 0 307.777 3.698 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(C2CC2)no1 ZINC000442707941 338428613 /nfs/dbraw/zinc/42/86/13/338428613.db2.gz HUESYFCZUWBJME-UHFFFAOYSA-N -1 0 313.140 3.817 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000194574082 338569759 /nfs/dbraw/zinc/56/97/59/338569759.db2.gz UTWHSZKOEZSWQE-UHFFFAOYSA-N -1 0 313.781 3.827 20 0 DHADRM CC(C)(C)C(=O)CCCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000450686667 338699175 /nfs/dbraw/zinc/69/91/75/338699175.db2.gz NOISMKYXVACVDN-UHFFFAOYSA-N -1 0 315.772 3.909 20 0 DHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000450983505 338715703 /nfs/dbraw/zinc/71/57/03/338715703.db2.gz QRSSVYLOQOWKEY-UHFFFAOYSA-N -1 0 311.428 3.645 20 0 DHADRM Cc1c(Cl)cncc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000451064674 338720135 /nfs/dbraw/zinc/72/01/35/338720135.db2.gz JAWXCOLMAPBMDD-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM COc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1Cl ZINC000194881468 338771199 /nfs/dbraw/zinc/77/11/99/338771199.db2.gz SJWHRBFANMSJSU-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM CCC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)C ZINC000456104371 338919481 /nfs/dbraw/zinc/91/94/81/338919481.db2.gz FVGCVTIGAXWRKG-JTQLQIEISA-N -1 0 303.324 3.754 20 0 DHADRM COc1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)ccc1O ZINC000164356640 338949226 /nfs/dbraw/zinc/94/92/26/338949226.db2.gz VEGFRBDDCYSLIM-QHHAFSJGSA-N -1 0 321.332 3.818 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1coc(C2CCCCC2)n1 ZINC000457292250 338958342 /nfs/dbraw/zinc/95/83/42/338958342.db2.gz LNHHNXXTIFIXIJ-UHFFFAOYSA-N -1 0 322.311 3.958 20 0 DHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457296652 338958467 /nfs/dbraw/zinc/95/84/67/338958467.db2.gz 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COc1cccc2c1nc(-c1ccc(C(=O)[O-])cc1Cl)n2C ZINC000471438631 339344884 /nfs/dbraw/zinc/34/48/84/339344884.db2.gz YIDFUZLQAXJZMH-UHFFFAOYSA-N -1 0 316.744 3.601 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cccc(Cl)c1 ZINC000472015759 339359376 /nfs/dbraw/zinc/35/93/76/339359376.db2.gz GVOFDBMZKPVTOG-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)NCCC(C)(C)C)s[n-]1 ZINC000473819347 339392743 /nfs/dbraw/zinc/39/27/43/339392743.db2.gz GSGOFXXLPIJDSL-UHFFFAOYSA-N -1 0 324.475 3.555 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(c2ccc(F)cc2)CC1 ZINC000474437081 339414593 /nfs/dbraw/zinc/41/45/93/339414593.db2.gz GREMBVKMUNGMGN-UHFFFAOYSA-N -1 0 323.726 3.994 20 0 DHADRM CC(C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(=O)[nH]1 ZINC000474448015 339414953 /nfs/dbraw/zinc/41/49/53/339414953.db2.gz ROGFRUFCVYMUEA-UHFFFAOYSA-N -1 0 324.739 3.661 20 0 DHADRM CC(C)Cc1nc(=NCc2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000475500489 339452949 /nfs/dbraw/zinc/45/29/49/339452949.db2.gz CEPZBCXEDYQAOX-UHFFFAOYSA-N -1 0 324.453 3.833 20 0 DHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cc(F)ccc1F ZINC000477405531 339494121 /nfs/dbraw/zinc/49/41/21/339494121.db2.gz ZEKPYQGFQPBNJW-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM CC[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000479431392 339534762 /nfs/dbraw/zinc/53/47/62/339534762.db2.gz WAKDELARVLHEJK-KYZUINATSA-N -1 0 301.308 3.508 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479463735 339536418 /nfs/dbraw/zinc/53/64/18/339536418.db2.gz BULJFCLIZTULPK-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000479575200 339541872 /nfs/dbraw/zinc/54/18/72/339541872.db2.gz FLECBFCKQKOJSU-UHFFFAOYSA-N -1 0 307.396 3.912 20 0 DHADRM CC[C@@](NC(=O)C[C@@H](C)CC(C)C)(C(=O)[O-])c1ccccc1 ZINC000485377422 339702317 /nfs/dbraw/zinc/70/23/17/339702317.db2.gz WBLSXVTWYHWAOD-KSSFIOAISA-N -1 0 305.418 3.565 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000485997757 339718258 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O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1c1ccccn1 ZINC000554518599 341456268 /nfs/dbraw/zinc/45/62/68/341456268.db2.gz HWJXXMACYQUJJR-AWEZNQCLSA-N -1 0 320.751 3.557 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000554731731 341462473 /nfs/dbraw/zinc/46/24/73/341462473.db2.gz KCAILMHJILNQAT-UHFFFAOYSA-N -1 0 319.401 3.585 20 0 DHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000565120451 341517854 /nfs/dbraw/zinc/51/78/54/341517854.db2.gz LFOMROLZYNZVAA-JTQLQIEISA-N -1 0 324.833 3.943 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000262386997 341521329 /nfs/dbraw/zinc/52/13/29/341521329.db2.gz ZJJCTCGVTRDSIR-OWCLPIDISA-N -1 0 309.450 3.744 20 0 DHADRM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])sc2cccc(F)c12 ZINC000262419892 341522269 /nfs/dbraw/zinc/52/22/69/341522269.db2.gz DXNDAYHBYPLUQD-UHFFFAOYSA-N -1 0 323.389 3.580 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000262444863 341522529 /nfs/dbraw/zinc/52/25/29/341522529.db2.gz 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C/C=C/C[C@@H](NC(=O)Nc1ccc(CCCC)cc1)C(=O)[O-] ZINC000568831497 341682867 /nfs/dbraw/zinc/68/28/67/341682867.db2.gz FGICCBHPJPUKIV-CSPWOOARSA-N -1 0 304.390 3.570 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000572725446 341701987 /nfs/dbraw/zinc/70/19/87/341701987.db2.gz NSOAUBGPXFUNTQ-PCKAHOCUSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1cc(C(=O)[O-])c(-c2ccc(O[C@@H]3CCOC3)cc2)s1 ZINC000573935612 341743839 /nfs/dbraw/zinc/74/38/39/341743839.db2.gz LLRRXANGHVTYAG-CYBMUJFWSA-N -1 0 304.367 3.589 20 0 DHADRM CC(C)N(Cc1ccccc1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574086162 341748059 /nfs/dbraw/zinc/74/80/59/341748059.db2.gz AAQKICJTADSKBI-UHFFFAOYSA-N -1 0 317.429 3.705 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000574280510 341754101 /nfs/dbraw/zinc/75/41/01/341754101.db2.gz LKIVXGYTGUQQNM-VHSXEESVSA-N -1 0 323.801 3.538 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574522374 341761157 /nfs/dbraw/zinc/76/11/57/341761157.db2.gz 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CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC000263545812 519829721 /nfs/dbraw/zinc/82/97/21/519829721.db2.gz UAISSFBDSGMXEK-KXBFYZLASA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000263545301 519834861 /nfs/dbraw/zinc/83/48/61/519834861.db2.gz TTZKIDMZNHSNKI-FZMZJTMJSA-N -1 0 323.820 3.646 20 0 DHADRM CCCCCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364843538 519924046 /nfs/dbraw/zinc/92/40/46/519924046.db2.gz XFZFPRIEAKEOCR-UHFFFAOYSA-N -1 0 303.402 3.671 20 0 DHADRM CC1(C)CCC(CNC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262857910 520296849 /nfs/dbraw/zinc/29/68/49/520296849.db2.gz YLHVDJQMEFLAFQ-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@H](C)C[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000263527237 523896993 /nfs/dbraw/zinc/89/69/93/523896993.db2.gz KMAWONUGWPKVMB-YNEHKIRRSA-N -1 0 323.458 3.806 20 0 DHADRM Cc1cccc(C2(C(=O)NCCCCCC(=O)[O-])CCCC2)c1 ZINC000237620269 524327142 /nfs/dbraw/zinc/32/71/42/524327142.db2.gz XAWNXJJLRRYALC-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM C[C@@H](CC(=O)NCCCCCCC(=O)[O-])Cc1cccc(F)c1 ZINC000269169554 524369046 /nfs/dbraw/zinc/36/90/46/524369046.db2.gz HBMIWJPPLSUIBM-CQSZACIVSA-N -1 0 323.408 3.546 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237486575 524432321 /nfs/dbraw/zinc/43/23/21/524432321.db2.gz IFUIPBFHJLFHDK-BBRMVZONSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](NC(=O)CCC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000338199637 524927044 /nfs/dbraw/zinc/92/70/44/524927044.db2.gz ONIMTBGDJLJWMP-ZDUSSCGKSA-N -1 0 313.353 3.521 20 0 DHADRM Cc1ccccc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364846036 525045770 /nfs/dbraw/zinc/04/57/70/525045770.db2.gz SETSMPCWLVDILA-UHFFFAOYSA-N -1 0 323.392 3.713 20 0 DHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000246044973 525176946 /nfs/dbraw/zinc/17/69/46/525176946.db2.gz XLJDUSMPAMWOHO-FPMFFAJLSA-N -1 0 315.369 3.501 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])CC(C)(C)C1 ZINC000262763037 525191719 /nfs/dbraw/zinc/19/17/19/525191719.db2.gz LEQJAMGQOUMECY-TZMCWYRMSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C=C1CCC(C)CC1 ZINC000236660149 525366963 /nfs/dbraw/zinc/36/69/63/525366963.db2.gz KMQXHNKGRXGHIT-UHFFFAOYSA-N -1 0 317.385 3.533 20 0 DHADRM Cc1c2c(sc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CCCC2 ZINC000262681862 525938273 /nfs/dbraw/zinc/93/82/73/525938273.db2.gz AVQPJQZGDGPYCR-HAQNSBGRSA-N -1 0 321.442 3.765 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCCC(C)(C)C1)C(=O)[O-] ZINC000181916117 525992532 /nfs/dbraw/zinc/99/25/32/525992532.db2.gz KUKGJKFCVBCNCR-LBPRGKRZSA-N -1 0 321.442 3.514 20 0 DHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000192862069 526112355 /nfs/dbraw/zinc/11/23/55/526112355.db2.gz FMLMKJHAECQBKP-WMLDXEAASA-N -1 0 311.381 3.512 20 0 DHADRM COc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000237273720 526201002 /nfs/dbraw/zinc/20/10/02/526201002.db2.gz PWMNVYHQPSNNDP-GOSISDBHSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1oc(CN(C)C(=O)C=C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000190891621 526768077 /nfs/dbraw/zinc/76/80/77/526768077.db2.gz NUVZJGPUFJUYNU-UHFFFAOYSA-N -1 0 319.401 3.771 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)CC2CCCCCC2)sc1C(=O)[O-] ZINC000237528019 527026594 /nfs/dbraw/zinc/02/65/94/527026594.db2.gz QMOGRDNXWVTQRR-LLVKDONJSA-N -1 0 324.446 3.687 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC000237939399 527596395 /nfs/dbraw/zinc/59/63/95/527596395.db2.gz HEGMZTTYENTIRA-ZDUSSCGKSA-N -1 0 317.410 3.761 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1 ZINC000000175218 563920563 /nfs/dbraw/zinc/92/05/63/563920563.db2.gz CEPRSZRFLSFYFO-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM CCc1sc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1C ZINC000035305666 599846087 /nfs/dbraw/zinc/84/60/87/599846087.db2.gz JLRCAZGMITWDGB-UHFFFAOYSA-N -1 0 307.346 3.709 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000819263953 596907626 /nfs/dbraw/zinc/90/76/26/596907626.db2.gz XBFJKAJMZDWGMP-NSHDSACASA-N -1 0 324.336 3.524 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccc(F)c3cccnc23)c1 ZINC000819579667 597014812 /nfs/dbraw/zinc/01/48/12/597014812.db2.gz LQRTZRHRTHCNHU-UHFFFAOYSA-N -1 0 310.328 3.613 20 0 DHADRM O=C([O-])c1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013813124 597163581 /nfs/dbraw/zinc/16/35/81/597163581.db2.gz FPCBZPJHIIMHQV-UHFFFAOYSA-N -1 0 320.801 3.525 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818162153 597263388 /nfs/dbraw/zinc/26/33/88/597263388.db2.gz ZDLOJIHSNMEMDC-HNNXBMFYSA-N -1 0 318.417 3.890 20 0 DHADRM Cc1cccc([C@H](C)[S@](=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000818939268 597286593 /nfs/dbraw/zinc/28/65/93/597286593.db2.gz JMCPXUZRQVTMGM-YEJXKQKISA-N -1 0 302.395 3.703 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1 ZINC000821545980 598157434 /nfs/dbraw/zinc/15/74/34/598157434.db2.gz OKVJOGKVXUXIGK-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM O=C([O-])CCCCNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000821521781 598164622 /nfs/dbraw/zinc/16/46/22/598164622.db2.gz MISWXLHOSHULKA-UHFFFAOYSA-N -1 0 321.229 3.535 20 0 DHADRM CCCC[C@H](Sc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000736983561 599709480 /nfs/dbraw/zinc/70/94/80/599709480.db2.gz APZDQRVQKUKXIS-AWEZNQCLSA-N -1 0 304.415 3.667 20 0 DHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000582365022 599710434 /nfs/dbraw/zinc/71/04/34/599710434.db2.gz DNBSYUCNSAAYDA-HUUCEWRRSA-N -1 0 305.374 3.850 20 0 DHADRM CCCCc1ccc([C@H](NC(=O)CCNC(=O)[O-])C(C)C)cc1 ZINC000737001666 599712255 /nfs/dbraw/zinc/71/22/55/599712255.db2.gz WQFAGXAJOACBKK-QGZVFWFLSA-N -1 0 320.433 3.500 20 0 DHADRM CN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C(C1CC1)C1CC1 ZINC000737331316 599713453 /nfs/dbraw/zinc/71/34/53/599713453.db2.gz WFXZDUYREMFYJU-UHFFFAOYSA-N -1 0 321.352 3.568 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736777790 599713525 /nfs/dbraw/zinc/71/35/25/599713525.db2.gz DLOHCYIDCRIFSR-GHMZBOCLSA-N -1 0 323.368 3.863 20 0 DHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736724654 599714376 /nfs/dbraw/zinc/71/43/76/599714376.db2.gz NJYHNBMFDJWHQV-VIFPVBQESA-N -1 0 321.308 3.734 20 0 DHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736785992 599715251 /nfs/dbraw/zinc/71/52/51/599715251.db2.gz RTGGYSKBQGYGET-SKDRFNHKSA-N -1 0 309.341 3.616 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675945484 599732929 /nfs/dbraw/zinc/73/29/29/599732929.db2.gz MHICXYACXHVJJC-HNNXBMFYSA-N -1 0 305.418 3.562 20 0 DHADRM CN(CCCC(=O)N1Cc2ccccc2-c2ccccc21)C(=O)[O-] ZINC000737416936 599735624 /nfs/dbraw/zinc/73/56/24/599735624.db2.gz CLUBHIJELIONBW-UHFFFAOYSA-N -1 0 324.380 3.590 20 0 DHADRM O=C([O-])CSCCC(=O)Oc1ccc(Cl)c2ccccc12 ZINC000739853356 599742534 /nfs/dbraw/zinc/74/25/34/599742534.db2.gz QEQQDRVLFAXJHF-UHFFFAOYSA-N -1 0 324.785 3.607 20 0 DHADRM CC(C)CCc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736436026 599745275 /nfs/dbraw/zinc/74/52/75/599745275.db2.gz NVMFDYIGAVIZTC-UHFFFAOYSA-N -1 0 306.406 3.604 20 0 DHADRM Cc1nc(-c2ccco2)ccc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738837467 599763806 /nfs/dbraw/zinc/76/38/06/599763806.db2.gz BZQRLUJZSGJCCS-UHFFFAOYSA-N -1 0 323.304 3.567 20 0 DHADRM CC[C@@H](Cc1ccccc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000736907393 599767791 /nfs/dbraw/zinc/76/77/91/599767791.db2.gz RCHSALNICMEFHG-JTQLQIEISA-N -1 0 310.806 3.928 20 0 DHADRM Cc1oc(CN2CCc3[nH]c4ccc(C)cc4c3C2)cc1C(=O)[O-] ZINC000656768132 599795684 /nfs/dbraw/zinc/79/56/84/599795684.db2.gz VIYRTGYINVHLCW-UHFFFAOYSA-N -1 0 324.380 3.634 20 0 DHADRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736685917 599800767 /nfs/dbraw/zinc/80/07/67/599800767.db2.gz FFDMIVJMJBOUCM-GFCCVEGCSA-N -1 0 307.390 3.636 20 0 DHADRM O=C([O-])c1sccc1NC(=O)CCSc1ccccc1 ZINC000037451964 599802122 /nfs/dbraw/zinc/80/21/22/599802122.db2.gz MRDNAASYIWNTIS-UHFFFAOYSA-N -1 0 307.396 3.567 20 0 DHADRM O=C(/C=C/Sc1ccccc1)Oc1cccc(C(=O)[O-])c1 ZINC000739214018 599804684 /nfs/dbraw/zinc/80/46/84/599804684.db2.gz BPRCRUDNONJJIF-MDZDMXLPSA-N -1 0 300.335 3.596 20 0 DHADRM Cc1nc2ccccc2nc1SCc1cc(C(=O)[O-])co1 ZINC000738876359 599804991 /nfs/dbraw/zinc/80/49/91/599804991.db2.gz JXMRKKHXTMHOGM-UHFFFAOYSA-N -1 0 300.339 3.522 20 0 DHADRM Cc1c(NC(=O)c2csc(C(C)C)n2)cccc1C(=O)[O-] ZINC000675966409 599810092 /nfs/dbraw/zinc/81/00/92/599810092.db2.gz NOIFUNQOPPCKNG-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC000737931111 599812985 /nfs/dbraw/zinc/81/29/85/599812985.db2.gz HYDTZCAPPLFCIU-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)/C=C\Sc2ccccc2)cc1 ZINC000739883033 599815429 /nfs/dbraw/zinc/81/54/29/599815429.db2.gz CCNNUGNDHZVFBA-KHPPLWFESA-N -1 0 314.362 3.525 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738311584 599815874 /nfs/dbraw/zinc/81/58/74/599815874.db2.gz SYTZDERIZPERJF-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000391084808 599827293 /nfs/dbraw/zinc/82/72/93/599827293.db2.gz PUJUIMDQNDQQJS-CYBMUJFWSA-N -1 0 312.369 3.587 20 0 DHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(Cl)c1 ZINC000677745062 599828553 /nfs/dbraw/zinc/82/85/53/599828553.db2.gz BETUYKPDOVPRPZ-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM O=C([O-])/C(=C\c1csc(Br)c1)c1ccncc1 ZINC000739497929 599831105 /nfs/dbraw/zinc/83/11/05/599831105.db2.gz HTUNPANMZJKWNM-YHYXMXQVSA-N -1 0 310.172 3.531 20 0 DHADRM CCc1ccsc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000048787039 599834023 /nfs/dbraw/zinc/83/40/23/599834023.db2.gz QKKAOTDOAPUNCE-UHFFFAOYSA-N -1 0 321.423 3.811 20 0 DHADRM Cc1ccc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000315571341 599834223 /nfs/dbraw/zinc/83/42/23/599834223.db2.gz GZNVRDFDSCXKOE-UHFFFAOYSA-N -1 0 319.357 3.635 20 0 DHADRM CN(C(=O)c1cc2sccc2s1)c1ccccc1C(=O)[O-] ZINC000123228404 599836054 /nfs/dbraw/zinc/83/60/54/599836054.db2.gz NGGXYBALHALNKN-UHFFFAOYSA-N -1 0 317.391 3.938 20 0 DHADRM CN(C(=O)/C=C\Sc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737314765 599838741 /nfs/dbraw/zinc/83/87/41/599838741.db2.gz RZZNSCUXJYRVDZ-QXMHVHEDSA-N -1 0 313.378 3.654 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(F)c2C(=O)[O-])C1(C)C ZINC000736344194 599845076 /nfs/dbraw/zinc/84/50/76/599845076.db2.gz UZMQSJLUVGJTFU-YGRLFVJLSA-N -1 0 305.349 3.701 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C\Sc1ccccc1 ZINC000739215779 599845494 /nfs/dbraw/zinc/84/54/94/599845494.db2.gz LQGABWZZUXGOAU-KTKRTIGZSA-N -1 0 317.341 3.768 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc2ccccc2s1 ZINC000386179980 599846067 /nfs/dbraw/zinc/84/60/67/599846067.db2.gz GJMSSZMNIUPSHC-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1(c2ccccc2)CC1 ZINC000738533780 599862029 /nfs/dbraw/zinc/86/20/29/599862029.db2.gz SRZXZTGHGBVUPC-UHFFFAOYSA-N -1 0 310.353 3.504 20 0 DHADRM O=C(C=C1CCCC1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739207992 599870635 /nfs/dbraw/zinc/87/06/35/599870635.db2.gz COODHDKYCVACSG-UHFFFAOYSA-N -1 0 315.394 3.716 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2c(Cl)cccc2Cl)c1 ZINC000740267303 599877772 /nfs/dbraw/zinc/87/77/72/599877772.db2.gz GZNWICZXRCZCFP-UHFFFAOYSA-N -1 0 315.108 3.642 20 0 DHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000739220805 599877835 /nfs/dbraw/zinc/87/78/35/599877835.db2.gz CPUKTRXJCTYTTC-LPHOPBHVSA-N -1 0 324.376 3.866 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000062827725 599880462 /nfs/dbraw/zinc/88/04/62/599880462.db2.gz WYWGWLUKXAPZHT-NSHDSACASA-N -1 0 310.419 3.860 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2cc3ccccc3s2)c1 ZINC000740269149 599880716 /nfs/dbraw/zinc/88/07/16/599880716.db2.gz CGBVTVPKCCGIIA-UHFFFAOYSA-N -1 0 302.307 3.550 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000740272757 599880917 /nfs/dbraw/zinc/88/09/17/599880917.db2.gz WFZRVQCWJUXRLN-UHFFFAOYSA-N -1 0 320.297 3.689 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000737332091 599887347 /nfs/dbraw/zinc/88/73/47/599887347.db2.gz NWJDCWYYJNNBQA-OAHLLOKOSA-N -1 0 317.389 3.597 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000740042360 599887868 /nfs/dbraw/zinc/88/78/68/599887868.db2.gz GFRGINSWEDAKKD-AWEZNQCLSA-N -1 0 303.362 3.573 20 0 DHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(Cl)c2ccccc12 ZINC000736385481 599888307 /nfs/dbraw/zinc/88/83/07/599888307.db2.gz PVSINSTVCKVXBH-AWEZNQCLSA-N -1 0 321.760 3.691 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)Nc2cccc3ncccc32)c1 ZINC000740037945 599895442 /nfs/dbraw/zinc/89/54/42/599895442.db2.gz ZEWUIJKCQZEWKT-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM Cc1c(Cl)cc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1Cl ZINC000738289700 599896392 /nfs/dbraw/zinc/89/63/92/599896392.db2.gz MTZQTSMPUOSTFR-NSHDSACASA-N -1 0 319.188 3.533 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000736791060 599903632 /nfs/dbraw/zinc/90/36/32/599903632.db2.gz KXYRPNAPMXLUKG-UHOFOFEASA-N -1 0 316.401 3.817 20 0 DHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)O[C@H](C(=O)[O-])C(C)C ZINC000736892657 599903792 /nfs/dbraw/zinc/90/37/92/599903792.db2.gz WYMIASDERSQOHJ-MTTNCXPISA-N -1 0 320.385 3.530 20 0 DHADRM O=Cc1ccccc1OCc1c2ccccc2sc1C(=O)[O-] ZINC000740318065 599907970 /nfs/dbraw/zinc/90/79/70/599907970.db2.gz KCWHZEDGRYMXIF-UHFFFAOYSA-N -1 0 312.346 3.991 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000740026731 599908194 /nfs/dbraw/zinc/90/81/94/599908194.db2.gz ALOBDSWYOJYBMG-MRXNPFEDSA-N -1 0 316.401 3.961 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738550571 599908563 /nfs/dbraw/zinc/90/85/63/599908563.db2.gz GKBOKDNBPKYEDS-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738669841 599910003 /nfs/dbraw/zinc/91/00/03/599910003.db2.gz JTFVVTAHGDGUHJ-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000740315501 599910850 /nfs/dbraw/zinc/91/08/50/599910850.db2.gz CPFOPVHQJLLYSQ-UHFFFAOYSA-N -1 0 308.692 3.569 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000237474929 599911942 /nfs/dbraw/zinc/91/19/42/599911942.db2.gz YDXDFKOCWSGNHD-LLVKDONJSA-N -1 0 301.317 3.656 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1F ZINC000736548274 599912118 /nfs/dbraw/zinc/91/21/18/599912118.db2.gz JIDKVOPPUWJWJP-SECBINFHSA-N -1 0 307.346 3.718 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)CC2CCCC2)c1 ZINC000238070168 599921806 /nfs/dbraw/zinc/92/18/06/599921806.db2.gz ZDJJZVKIUFNCHP-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM COc1ccsc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000738144008 599929446 /nfs/dbraw/zinc/92/94/46/599929446.db2.gz XJQNDMKWSHOLON-UHFFFAOYSA-N -1 0 319.382 3.831 20 0 DHADRM Cc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738257916 599931499 /nfs/dbraw/zinc/93/14/99/599931499.db2.gz JPJPJVYLGMOLBP-UHFFFAOYSA-N -1 0 305.717 3.958 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000538506332 599931464 /nfs/dbraw/zinc/93/14/64/599931464.db2.gz QLXJKDNANQZYCS-OIISXLGYSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@@H](OC(=O)C[C@@H](C)c1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC000736557602 599946878 /nfs/dbraw/zinc/94/68/78/599946878.db2.gz VQZKCBQGQJAGQZ-GHMZBOCLSA-N -1 0 320.316 3.915 20 0 DHADRM C[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000736555493 599946954 /nfs/dbraw/zinc/94/69/54/599946954.db2.gz FNONUSHOBITUJF-LBPRGKRZSA-N -1 0 316.328 3.761 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc3sccc3s2)c1O ZINC000124570867 599947120 /nfs/dbraw/zinc/94/71/20/599947120.db2.gz IXQSYLSULOBFAC-UHFFFAOYSA-N -1 0 319.363 3.619 20 0 DHADRM CC(C)CNc1nnc(SCc2cccc(C(=O)[O-])c2)s1 ZINC000013024351 599953847 /nfs/dbraw/zinc/95/38/47/599953847.db2.gz ZYZAJLDLSHYBFY-UHFFFAOYSA-N -1 0 323.443 3.597 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738285554 599965637 /nfs/dbraw/zinc/96/56/37/599965637.db2.gz FVWNUOMIWHAMCY-FZMZJTMJSA-N -1 0 319.357 3.638 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])o1)[C@H](c1ccccc1)C(F)(F)F ZINC000737471327 599979891 /nfs/dbraw/zinc/97/98/91/599979891.db2.gz 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ZINC000736231403 600270648 /nfs/dbraw/zinc/27/06/48/600270648.db2.gz DZMKDULUENJKQP-UHFFFAOYSA-N -1 0 316.328 3.545 20 0 DHADRM C[C@@H](CC(=O)Oc1cc2ccccc2cc1C(=O)[O-])n1cccc1 ZINC000736556646 600272788 /nfs/dbraw/zinc/27/27/88/600272788.db2.gz NFQCUEXAAMOFPA-ZDUSSCGKSA-N -1 0 323.348 3.896 20 0 DHADRM CC(C)n1ccnc1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736532167 600275514 /nfs/dbraw/zinc/27/55/14/600275514.db2.gz PAZZLKANTXCCLL-UHFFFAOYSA-N -1 0 317.370 3.596 20 0 DHADRM O=C([O-])c1ccc2nc(SCc3cccc(F)c3)oc2c1 ZINC000740212913 600276240 /nfs/dbraw/zinc/27/62/40/600276240.db2.gz WFOIAGFFMKVUFH-UHFFFAOYSA-N -1 0 303.314 3.957 20 0 DHADRM CCCCC1CCC(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000262367679 600277626 /nfs/dbraw/zinc/27/76/26/600277626.db2.gz AGMZYKIDNAWXKF-GPANFISMSA-N -1 0 321.461 3.696 20 0 DHADRM O=C([O-])c1ccc2nc(SC[C@@H]3CC3(Cl)Cl)oc2c1 ZINC000740212963 600278033 /nfs/dbraw/zinc/27/80/33/600278033.db2.gz XILGQTQJGBXYHS-ZETCQYMHSA-N -1 0 318.181 3.812 20 0 DHADRM 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3.596 20 0 DHADRM O=C([O-])[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000739208624 600326969 /nfs/dbraw/zinc/32/69/69/600326969.db2.gz DSWJPEQKTHNAPP-INIZCTEOSA-N -1 0 320.772 3.755 20 0 DHADRM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(CNC(=O)[O-])cc2)o1 ZINC000736761405 600328588 /nfs/dbraw/zinc/32/85/88/600328588.db2.gz IDDSPKVLCXVRQX-NHYWBVRUSA-N -1 0 300.358 3.783 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000315535165 600328766 /nfs/dbraw/zinc/32/87/66/600328766.db2.gz HBPKUTFTFZWKRA-CYBMUJFWSA-N -1 0 304.390 3.737 20 0 DHADRM O=C([O-])NCc1ccc(NCc2cnc3ccccc3c2)cc1 ZINC000740001002 600329465 /nfs/dbraw/zinc/32/94/65/600329465.db2.gz LPFJKQLHUUHPFO-UHFFFAOYSA-N -1 0 307.353 3.615 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405397083 600333336 /nfs/dbraw/zinc/33/33/36/600333336.db2.gz JTQPLLMSPWTOEG-AWEZNQCLSA-N -1 0 316.401 3.529 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000315532186 600338745 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C[C@H]1CCc2ccccc2N1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736800623 600368216 /nfs/dbraw/zinc/36/82/16/600368216.db2.gz GIEOPICAXXVBST-AWEZNQCLSA-N -1 0 323.392 3.685 20 0 DHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736120969 600368729 /nfs/dbraw/zinc/36/87/29/600368729.db2.gz NDFNQCHYSMAUDR-DPCFLFMUSA-N -1 0 314.312 3.598 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)c2ccccc2F)sc1C(=O)[O-] ZINC000738235068 600369752 /nfs/dbraw/zinc/36/97/52/600369752.db2.gz NUTIXYDWAYWHIP-VIFPVBQESA-N -1 0 307.346 3.636 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000736120346 600371160 /nfs/dbraw/zinc/37/11/60/600371160.db2.gz GXVCTJXGUSOECP-TWGQIWQCSA-N -1 0 319.357 3.936 20 0 DHADRM Cc1cc(NC(=O)c2cncc3ccccc32)sc1C(=O)[O-] ZINC000738453628 600372864 /nfs/dbraw/zinc/37/28/64/600372864.db2.gz RCHUWCUXXMUZKA-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC[C@@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(C)cc1 ZINC000679401260 600375722 /nfs/dbraw/zinc/37/57/22/600375722.db2.gz WUMYCNUNONWGPA-DOTOQJQBSA-N -1 0 317.429 3.735 20 0 DHADRM COc1ccc(OCCS[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738048215 600377494 /nfs/dbraw/zinc/37/74/94/600377494.db2.gz BOZDRJVHNLHUSQ-MRXNPFEDSA-N -1 0 318.394 3.633 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(C)nc2ccccc12 ZINC000325856791 600377655 /nfs/dbraw/zinc/37/76/55/600377655.db2.gz WSTZZXXLSPJEIZ-UHFFFAOYSA-N -1 0 323.348 3.829 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccsc1 ZINC000262064521 600378144 /nfs/dbraw/zinc/37/81/44/600378144.db2.gz BOCFPAHUOZOJIM-LLVKDONJSA-N -1 0 303.383 3.508 20 0 DHADRM O=C([O-])[C@@H](Sc1ncc2ccccn21)c1cccc(Cl)c1 ZINC000739510905 600378369 /nfs/dbraw/zinc/37/83/69/600378369.db2.gz BUPDVKZGRLZPSO-ZDUSSCGKSA-N -1 0 318.785 3.906 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000738455402 600379932 /nfs/dbraw/zinc/37/99/32/600379932.db2.gz ZLDASRAJFCXORQ-YFHOEESVSA-N -1 0 318.332 3.585 20 0 DHADRM CN(C(=O)CC/C=C\c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737318841 600380103 /nfs/dbraw/zinc/38/01/03/600380103.db2.gz VGNJLWJXBWXQGS-KEEQEYLASA-N -1 0 323.392 3.764 20 0 DHADRM Cc1c(NC(=O)N[C@@H]2c3ccccc3C[C@H]2C)cccc1C(=O)[O-] ZINC000738303265 600380120 /nfs/dbraw/zinc/38/01/20/600380120.db2.gz GJACXEWDUGPECH-DIFFPNOSSA-N -1 0 324.380 3.748 20 0 DHADRM O=C([O-])c1cccc(NC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000588592310 600380333 /nfs/dbraw/zinc/38/03/33/600380333.db2.gz HKDXGRQFYLBBJK-HJWRWDBZSA-N -1 0 318.332 3.585 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000049750461 600380785 /nfs/dbraw/zinc/38/07/85/600380785.db2.gz SNSOQHFBHYQQKS-UHFFFAOYSA-N -1 0 311.381 3.521 20 0 DHADRM CCN(C(=O)Nc1cccc(NC(=O)[O-])c1)C1CCCCC1 ZINC000737058734 600381112 /nfs/dbraw/zinc/38/11/12/600381112.db2.gz SLVWEJHHWIYDPV-UHFFFAOYSA-N -1 0 305.378 3.963 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000236744194 600384512 /nfs/dbraw/zinc/38/45/12/600384512.db2.gz IJJLLWHXTWYYNJ-UHFFFAOYSA-N -1 0 319.445 3.676 20 0 DHADRM C[C@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736780879 600384793 /nfs/dbraw/zinc/38/47/93/600384793.db2.gz MKXFDRZZOODMJM-DZGCQCFKSA-N -1 0 318.417 3.652 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736562073 600386693 /nfs/dbraw/zinc/38/66/93/600386693.db2.gz KPAYKCHHHNYIKK-ZDUSSCGKSA-N -1 0 318.417 3.652 20 0 DHADRM CCCCS[C@@H](C)C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000737000837 600387456 /nfs/dbraw/zinc/38/74/56/600387456.db2.gz DIJLWCTVEKZLEY-DZGCQCFKSA-N -1 0 323.458 3.805 20 0 DHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 ZINC000739986173 600389731 /nfs/dbraw/zinc/38/97/31/600389731.db2.gz OHYCMEPVDMGBPH-FLIBITNWSA-N -1 0 302.374 3.529 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)c(F)c1 ZINC000391041272 600396038 /nfs/dbraw/zinc/39/60/38/600396038.db2.gz RQBRQMPMUXXNIB-HNNXBMFYSA-N -1 0 320.364 3.710 20 0 DHADRM C[C@@H](Nc1ccc(C(=O)[O-])nn1)c1cccc(Cl)c1Cl ZINC000736672518 600396951 /nfs/dbraw/zinc/39/69/51/600396951.db2.gz QILIGGYUSGAPRI-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321889961 600398190 /nfs/dbraw/zinc/39/81/90/600398190.db2.gz LGXAEMSSJRJXBI-TZMCWYRMSA-N -1 0 322.380 3.860 20 0 DHADRM O=C([O-])c1ccc(NC(=O)NC2CCCCCCC2)c(F)c1 ZINC000316941618 600401837 /nfs/dbraw/zinc/40/18/37/600401837.db2.gz XXRPFVMKBTXXJG-UHFFFAOYSA-N -1 0 308.353 3.758 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000390880843 600403033 /nfs/dbraw/zinc/40/30/33/600403033.db2.gz JKRXOGBFCQQNEV-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)CC2CCCC2)c1 ZINC000737940545 600404179 /nfs/dbraw/zinc/40/41/79/600404179.db2.gz SAOPSBXUDGWQFY-LLVKDONJSA-N -1 0 306.358 3.515 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236942282 600404560 /nfs/dbraw/zinc/40/45/60/600404560.db2.gz MOWOFZDSVGHNEJ-MRXNPFEDSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262319094 600404665 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O=C([O-])c1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000390519821 600430956 /nfs/dbraw/zinc/43/09/56/600430956.db2.gz UCHRPVJAWIHKEY-UHFFFAOYSA-N -1 0 310.265 3.634 20 0 DHADRM CCOc1cc(N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1C ZINC000737192509 600433042 /nfs/dbraw/zinc/43/30/42/600433042.db2.gz UXAIPFSYFLDGIB-INIZCTEOSA-N -1 0 303.333 3.771 20 0 DHADRM C[C@H]1c2c(F)cccc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000736834574 600440955 /nfs/dbraw/zinc/44/09/55/600440955.db2.gz AAGYCKVADBFOPC-NSHDSACASA-N -1 0 317.335 3.782 20 0 DHADRM Cc1cc(CN2CCc3cccc(F)c3[C@@H]2C)oc1C(=O)[O-] ZINC000738385501 600441372 /nfs/dbraw/zinc/44/13/72/600441372.db2.gz PZBKWNUYOBLRBB-NSHDSACASA-N -1 0 303.333 3.545 20 0 DHADRM CC(C)SCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736499334 600451924 /nfs/dbraw/zinc/45/19/24/600451924.db2.gz DMNJCUNUTRAHOJ-UHFFFAOYSA-N -1 0 315.460 3.824 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000736774072 600454660 /nfs/dbraw/zinc/45/46/60/600454660.db2.gz GCWUDCYHCMVTOB-XHBSWPGZSA-N -1 0 308.349 3.711 20 0 DHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000738546163 600455886 /nfs/dbraw/zinc/45/58/86/600455886.db2.gz JMPUIPLONAKSIV-CQSZACIVSA-N -1 0 322.719 3.770 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736563811 600456290 /nfs/dbraw/zinc/45/62/90/600456290.db2.gz UTXGCSJDZYTSNF-XHDPSFHLSA-N -1 0 308.349 3.711 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736325113 600458005 /nfs/dbraw/zinc/45/80/05/600458005.db2.gz VRAXJVCJEHYQEF-UHFFFAOYSA-N -1 0 312.365 3.697 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361604 600466387 /nfs/dbraw/zinc/46/63/87/600466387.db2.gz JVSORJGPAJXZJA-KBPBESRZSA-N -1 0 323.458 3.987 20 0 DHADRM O=C([O-])[C@H](OC(=O)CC/C=C/c1ccccc1)c1ccccc1 ZINC000739233350 600467115 /nfs/dbraw/zinc/46/71/15/600467115.db2.gz BKHARICYGVKVMS-JGZYNSJSSA-N -1 0 310.349 3.849 20 0 DHADRM O=C([O-])c1ccc(NC(=S)Nc2ccccc2F)cc1Cl ZINC000740160632 600474023 /nfs/dbraw/zinc/47/40/23/600474023.db2.gz FIPJAZJSZSVHGJ-UHFFFAOYSA-N -1 0 324.764 3.986 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccccc2)cc1Cl ZINC000238109928 600477254 /nfs/dbraw/zinc/47/72/54/600477254.db2.gz DUGNDFRWAFGWEQ-UHFFFAOYSA-N -1 0 317.772 4.000 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000736903791 600477319 /nfs/dbraw/zinc/47/73/19/600477319.db2.gz MHNHFFHFKOLWBW-LBPRGKRZSA-N -1 0 303.383 3.654 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736880571 600478985 /nfs/dbraw/zinc/47/89/85/600478985.db2.gz RMEYMUJCMRUSJE-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCN(C)C(=O)[O-] ZINC000738758182 600483458 /nfs/dbraw/zinc/48/34/58/600483458.db2.gz JTCCBWHEFXSEJC-INIZCTEOSA-N -1 0 320.433 3.588 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000736904815 600508107 /nfs/dbraw/zinc/50/81/07/600508107.db2.gz YRJIJDRWRPMEPL-AWEZNQCLSA-N -1 0 316.353 3.598 20 0 DHADRM Cc1ccc(OC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)[O-])c1 ZINC000738636574 600510970 /nfs/dbraw/zinc/51/09/70/600510970.db2.gz QWBUZHGAFNHGCY-LBPRGKRZSA-N -1 0 316.328 3.617 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000314904002 600514584 /nfs/dbraw/zinc/51/45/84/600514584.db2.gz FOROWGWWVHHXKH-SECBINFHSA-N -1 0 322.748 3.822 20 0 DHADRM CS[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000738142276 600522016 /nfs/dbraw/zinc/52/20/16/600522016.db2.gz UZPRZJSMYJKEJZ-ZDUSSCGKSA-N -1 0 321.423 3.798 20 0 DHADRM C[C@H](Nc1ccc(OCCC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736671994 600522911 /nfs/dbraw/zinc/52/29/11/600522911.db2.gz ODPGGVYSVQIVOI-NSHDSACASA-N -1 0 321.323 3.991 20 0 DHADRM CC(C)c1cc(Nc2cccc(CSCC(=O)[O-])c2)ncn1 ZINC000736515914 600523003 /nfs/dbraw/zinc/52/30/03/600523003.db2.gz SWZUSTUARDZDKC-UHFFFAOYSA-N -1 0 317.414 3.661 20 0 DHADRM CS[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000738181523 600523758 /nfs/dbraw/zinc/52/37/58/600523758.db2.gz LEHPDSHPAMTZJP-HNNXBMFYSA-N -1 0 315.394 3.736 20 0 DHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738308633 600525482 /nfs/dbraw/zinc/52/54/82/600525482.db2.gz SAIKFSHMAIRDPX-ZDUSSCGKSA-N -1 0 312.369 3.851 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737001683 600525813 /nfs/dbraw/zinc/52/58/13/600525813.db2.gz YADJBIBNIRYBGG-UHFFFAOYSA-N -1 0 314.382 3.778 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000736513157 600532059 /nfs/dbraw/zinc/53/20/59/600532059.db2.gz QXSRHBZTLNWVRK-SUMWQHHRSA-N -1 0 319.445 3.919 20 0 DHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)C1CCSCC1 ZINC000740202716 600534314 /nfs/dbraw/zinc/53/43/14/600534314.db2.gz JRJIMQSYEGQZDU-UHFFFAOYSA-N -1 0 316.378 3.587 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000321688815 600540166 /nfs/dbraw/zinc/54/01/66/600540166.db2.gz YJBNNJIKBOLAGS-GFCCVEGCSA-N -1 0 322.380 3.814 20 0 DHADRM Cc1oc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000738980398 600541462 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O=C([O-])Nc1cc(NC(=O)c2cc3occc3s2)ccc1F ZINC000740006292 600586930 /nfs/dbraw/zinc/58/69/30/600586930.db2.gz AIVBBTGOXYLWNV-UHFFFAOYSA-N -1 0 320.301 3.976 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)N1CCCC2(CCCCC2)C1 ZINC000740041535 600590845 /nfs/dbraw/zinc/59/08/45/600590845.db2.gz SKURBGBFPHHJTF-UHFFFAOYSA-N -1 0 316.401 3.963 20 0 DHADRM C[C@@H](CC(=O)[O-])SCCOc1ccc(C(F)(F)F)cc1 ZINC000736551726 600591727 /nfs/dbraw/zinc/59/17/27/600591727.db2.gz GHZBKWYJZVRQRD-VIFPVBQESA-N -1 0 308.321 3.681 20 0 DHADRM COc1ccc(Br)cc1CS[C@@H](C)CC(=O)[O-] ZINC000090097165 600592752 /nfs/dbraw/zinc/59/27/52/600592752.db2.gz SUZSCZYIRZNFRK-QMMMGPOBSA-N -1 0 319.220 3.554 20 0 DHADRM Cc1ccc(-c2nnc([C@H](C)S[C@@H](C)CC(=O)[O-])o2)cc1 ZINC000738251160 600593102 /nfs/dbraw/zinc/59/31/02/600593102.db2.gz KQQYGZMOTSKRNW-QWRGUYRKSA-N -1 0 306.387 3.702 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000736552362 600593657 /nfs/dbraw/zinc/59/36/57/600593657.db2.gz OIFUISSXPBKHBJ-QMMMGPOBSA-N -1 0 313.325 3.716 20 0 DHADRM Cc1cccc(NC(=O)[C@H](S[C@@H](C)CC(=O)[O-])C(C)C)c1C ZINC000738311487 600594114 /nfs/dbraw/zinc/59/41/14/600594114.db2.gz KZUBCRXJQQVPME-BLLLJJGKSA-N -1 0 323.458 3.863 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000263231132 600596127 /nfs/dbraw/zinc/59/61/27/600596127.db2.gz CAJKYOZZYDUAFF-UHFFFAOYSA-N -1 0 324.380 3.646 20 0 DHADRM CC/C(=C\C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736835408 600599820 /nfs/dbraw/zinc/59/98/20/600599820.db2.gz LZKOGJDDPGJRMB-JUWJPQTCSA-N -1 0 323.392 3.764 20 0 DHADRM C[C@H](CSCCOc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736613897 600600607 /nfs/dbraw/zinc/60/06/07/600600607.db2.gz RCNGLNPJCKWGKG-MRVPVSSYSA-N -1 0 309.214 3.826 20 0 DHADRM CCOC(=O)c1oc2ccccc2c1CSC[C@H](C)C(=O)[O-] ZINC000737157719 600601437 /nfs/dbraw/zinc/60/14/37/600601437.db2.gz WNUBGDRHKPTQKJ-JTQLQIEISA-N -1 0 322.382 3.563 20 0 DHADRM C[C@H](CS[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000736618146 600604986 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C[C@@H]1CCC[C@@H](CCNC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736777258 600621965 /nfs/dbraw/zinc/62/19/65/600621965.db2.gz ZQPKKBCEVOOZJW-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@H]1CCC[C@H](CCNC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736777260 600622191 /nfs/dbraw/zinc/62/21/91/600622191.db2.gz ZQPKKBCEVOOZJW-QWHCGFSZSA-N -1 0 304.390 3.723 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc(Cl)c2)c1 ZINC000147500216 600625303 /nfs/dbraw/zinc/62/53/03/600625303.db2.gz WXNYNHQLIKYBSY-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM C[C@H](CC(=O)[O-])Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000736799998 600625308 /nfs/dbraw/zinc/62/53/08/600625308.db2.gz BIBVPSJNHMWVTO-DTWKUNHWSA-N -1 0 322.455 3.771 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736759094 600641563 /nfs/dbraw/zinc/64/15/63/600641563.db2.gz HDJJELGHAYHZLJ-ZFWWWQNUSA-N -1 0 324.380 3.795 20 0 DHADRM CCN(C(=O)[C@@H](C)CC1CCCC1)c1ccccc1C(=O)[O-] ZINC000737050225 600646835 /nfs/dbraw/zinc/64/68/35/600646835.db2.gz KCPKRUFRKMGCSO-ZDUSSCGKSA-N -1 0 303.402 3.954 20 0 DHADRM C[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687132 600649828 /nfs/dbraw/zinc/64/98/28/600649828.db2.gz WKWBXLIOACMONM-YPMHNXCESA-N -1 0 314.337 3.702 20 0 DHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCC1CC1 ZINC000739234582 600649844 /nfs/dbraw/zinc/64/98/44/600649844.db2.gz HMIZDAAXDWHAET-UHFFFAOYSA-N -1 0 304.367 3.833 20 0 DHADRM CC(C)C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000183967181 600653697 /nfs/dbraw/zinc/65/36/97/600653697.db2.gz GLQOQGNWZPLRBD-ULQDDVLXSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000828240235 600655454 /nfs/dbraw/zinc/65/54/54/600655454.db2.gz TZYSMWMMTBRPKD-XHBSWPGZSA-N -1 0 308.349 3.711 20 0 DHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(CCC(=O)[O-])C(C)C)cc1 ZINC000236745381 600662019 /nfs/dbraw/zinc/66/20/19/600662019.db2.gz MITOVZRXJQTPPR-IAGOWNOFSA-N -1 0 317.429 3.625 20 0 DHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183966336 600667343 /nfs/dbraw/zinc/66/73/43/600667343.db2.gz NZCQVEPDVHZBLW-UAGQMJEPSA-N -1 0 317.429 3.705 20 0 DHADRM COc1ccc(NCc2ccccc2OC(F)F)c(C(=O)[O-])c1 ZINC000738038322 600676934 /nfs/dbraw/zinc/67/69/34/600676934.db2.gz DWJVZEIOWAAKQV-UHFFFAOYSA-N -1 0 323.295 3.607 20 0 DHADRM Cc1cccc(O[C@H](C)c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832972554 600695404 /nfs/dbraw/zinc/69/54/04/600695404.db2.gz DSHALYMONIOJHP-GFCCVEGCSA-N -1 0 324.336 3.883 20 0 DHADRM Cc1cccc(C)c1OCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832966459 600696728 /nfs/dbraw/zinc/69/67/28/600696728.db2.gz YELGPZWPMDJMOH-UHFFFAOYSA-N -1 0 324.336 3.631 20 0 DHADRM Cc1[nH]c(C(=O)N2CCCCC[C@H]2CC(C)C)c(C)c1C(=O)[O-] ZINC000738237490 600701546 /nfs/dbraw/zinc/70/15/46/600701546.db2.gz YIBZAROMHQSMGT-AWEZNQCLSA-N -1 0 320.433 3.761 20 0 DHADRM O=C([O-])c1cccc(-c2noc(-c3cnc4ccsc4c3)n2)c1 ZINC000833327520 600701749 /nfs/dbraw/zinc/70/17/49/600701749.db2.gz 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601139431 /nfs/dbraw/zinc/13/94/31/601139431.db2.gz LYNFMGGJAZIWTK-UHFFFAOYSA-N -1 0 324.380 3.674 20 0 DHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000830156927 601139861 /nfs/dbraw/zinc/13/98/61/601139861.db2.gz AUXQUAKPFFTDFE-NEPJUHHUSA-N -1 0 322.430 3.571 20 0 DHADRM O=C([O-])N1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000833278661 601140879 /nfs/dbraw/zinc/14/08/79/601140879.db2.gz FURNSQFUOHVVOL-UHFFFAOYSA-N -1 0 321.377 3.504 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000832944670 601141324 /nfs/dbraw/zinc/14/13/24/601141324.db2.gz JFUOUACRXTZVGM-QGZVFWFLSA-N -1 0 324.380 3.844 20 0 DHADRM Cc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1C(=O)[O-] ZINC000387354193 601142021 /nfs/dbraw/zinc/14/20/21/601142021.db2.gz YNWYPABUZFJRTC-UHFFFAOYSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000316335256 601144713 /nfs/dbraw/zinc/14/47/13/601144713.db2.gz PFUPHUOQPVPTRD-NSHDSACASA-N -1 0 318.398 3.507 20 0 DHADRM 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/nfs/dbraw/zinc/16/74/89/601167489.db2.gz JJMMRLNKCUOBSU-IAQYHMDHSA-N -1 0 317.410 3.502 20 0 DHADRM Cc1cc(CN2CC[C@H]2c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832882999 601179271 /nfs/dbraw/zinc/17/92/71/601179271.db2.gz OWVKPXKFARLCPK-AWEZNQCLSA-N -1 0 305.761 3.887 20 0 DHADRM O=C([O-])CC1(NC(=O)c2ccc(C(F)F)cc2)CCCCC1 ZINC000833203815 601185833 /nfs/dbraw/zinc/18/58/33/601185833.db2.gz MGWQANOGCSQULH-UHFFFAOYSA-N -1 0 311.328 3.532 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2csc3ccccc23)C1 ZINC000833189246 601189887 /nfs/dbraw/zinc/18/98/87/601189887.db2.gz QQIOCXAARRVCDM-NWDGAFQWSA-N -1 0 318.394 3.836 20 0 DHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830158289 601191806 /nfs/dbraw/zinc/19/18/06/601191806.db2.gz SJMAYNVLYBYBKE-QWHCGFSZSA-N -1 0 323.418 3.572 20 0 DHADRM Cc1ccc(CCCC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000832930505 601195476 /nfs/dbraw/zinc/19/54/76/601195476.db2.gz PHTMUTLTKLKQIU-LLVKDONJSA-N -1 0 322.382 3.975 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000833288039 601197638 /nfs/dbraw/zinc/19/76/38/601197638.db2.gz IMWNDHITHWRMRJ-IWQZZHSRSA-N -1 0 314.316 3.958 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000833285154 601197653 /nfs/dbraw/zinc/19/76/53/601197653.db2.gz AQTHGCLVLLMCKS-UPHRSURJSA-N -1 0 314.316 3.958 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000320724324 601207156 /nfs/dbraw/zinc/20/71/56/601207156.db2.gz RVIQEMNRJAMWLX-NEPJUHHUSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1ccccc1OCCCNc1ccc(CNC(=O)[O-])cc1 ZINC000832979946 601210131 /nfs/dbraw/zinc/21/01/31/601210131.db2.gz ZHMPCDVWVLJZIR-UHFFFAOYSA-N -1 0 314.385 3.644 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000828603518 601243417 /nfs/dbraw/zinc/24/34/17/601243417.db2.gz KWWGCQYGYPTCFH-UHFFFAOYSA-N -1 0 318.417 3.505 20 0 DHADRM COc1ccc(C)cc1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037121082 601246229 /nfs/dbraw/zinc/24/62/29/601246229.db2.gz GLZUZZAYSBWNKQ-UHFFFAOYSA-N -1 0 305.761 3.967 20 0 DHADRM C[C@@H](c1ccc(F)cc1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000827934015 601247568 /nfs/dbraw/zinc/24/75/68/601247568.db2.gz ALVIYXKEKAXJNZ-ZETCQYMHSA-N -1 0 314.769 3.831 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000832946303 601247967 /nfs/dbraw/zinc/24/79/67/601247967.db2.gz GMIZPGHMIVIUQE-SMDDNHRTSA-N -1 0 318.398 3.640 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000832946301 601247981 /nfs/dbraw/zinc/24/79/81/601247981.db2.gz GMIZPGHMIVIUQE-FZMZJTMJSA-N -1 0 318.398 3.640 20 0 DHADRM C[C@@H](c1ccccc1F)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000149679360 601248938 /nfs/dbraw/zinc/24/89/38/601248938.db2.gz SJEHGXWGNBWLNW-ZETCQYMHSA-N -1 0 314.769 3.831 20 0 DHADRM CCC1CCC(NC(=O)c2cc(C)sc2C)(C(=O)[O-])CC1 ZINC000037457104 601274580 /nfs/dbraw/zinc/27/45/80/601274580.db2.gz CSHGIGHTHLNBCB-UHFFFAOYSA-N -1 0 309.431 3.518 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000776607231 601278830 /nfs/dbraw/zinc/27/88/30/601278830.db2.gz PGQGTMIVFKOALL-KHPPLWFESA-N -1 0 313.328 3.874 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000825778250 601279075 /nfs/dbraw/zinc/27/90/75/601279075.db2.gz JYCWHTILAQDUEX-GUYCJALGSA-N -1 0 324.380 3.795 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(C)(C)C ZINC000829333461 601287992 /nfs/dbraw/zinc/28/79/92/601287992.db2.gz MRAPNFIHKOZIJJ-CQSZACIVSA-N -1 0 306.406 3.505 20 0 DHADRM C[C@@H](SCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000125732350 601344375 /nfs/dbraw/zinc/34/43/75/601344375.db2.gz AXWCMEOYWHJTTP-ZCFIWIBFSA-N -1 0 309.612 3.809 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)CCc1ccccc1F ZINC000262062074 601308963 /nfs/dbraw/zinc/30/89/63/601308963.db2.gz HIIUGYXSBZWTBT-CYBMUJFWSA-N -1 0 323.408 3.544 20 0 DHADRM Cc1cccc([C@@H](NC(=O)NCCCCC(=O)[O-])C(C)(C)C)c1 ZINC000666534660 601333327 /nfs/dbraw/zinc/33/33/27/601333327.db2.gz NHEZNGORPHYBJS-MRXNPFEDSA-N -1 0 320.433 3.636 20 0 DHADRM O=C([O-])c1cccc(OCCSCc2cccnc2Cl)c1 ZINC000833332593 601342684 /nfs/dbraw/zinc/34/26/84/601342684.db2.gz OENKBHPRNCVYMJ-UHFFFAOYSA-N -1 0 323.801 3.745 20 0 DHADRM C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827773274 601348146 /nfs/dbraw/zinc/34/81/46/601348146.db2.gz GTYFUFDNAFVTOE-NSHDSACASA-N -1 0 318.373 3.609 20 0 DHADRM COCc1ccc(SCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000831817518 601348642 /nfs/dbraw/zinc/34/86/42/601348642.db2.gz OPFKWSFQUOSHGY-UHFFFAOYSA-N -1 0 306.358 3.963 20 0 DHADRM Cc1cc(NC(=O)C/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000832893795 601350377 /nfs/dbraw/zinc/35/03/77/601350377.db2.gz UYAUVLWWYHXSRC-IHWYPQMZSA-N -1 0 319.357 3.936 20 0 DHADRM Cc1oc(CN(C)[C@H](C)c2ncc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC000563284244 601353180 /nfs/dbraw/zinc/35/31/80/601353180.db2.gz UOYASDGWLXYCBZ-SNVBAGLBSA-N -1 0 320.389 3.765 20 0 DHADRM C[C@@H]1CCC[C@H](c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC000828246983 601364199 /nfs/dbraw/zinc/36/41/99/601364199.db2.gz YZGUZYXDJBBAEL-NEPJUHHUSA-N 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300.339 3.780 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000821139204 602158454 /nfs/dbraw/zinc/15/84/54/602158454.db2.gz WOIQUMUGQYSWEL-UHFFFAOYSA-N -1 0 313.334 3.959 20 0 DHADRM CC[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736907386 602168131 /nfs/dbraw/zinc/16/81/31/602168131.db2.gz QWVCRUKAFHEJAH-OAHLLOKOSA-N -1 0 312.369 3.528 20 0 DHADRM CCc1oc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1C ZINC000830402976 602169753 /nfs/dbraw/zinc/16/97/53/602169753.db2.gz HVWLZBMEIISDDG-UHFFFAOYSA-N -1 0 320.366 3.546 20 0 DHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000738946997 602174150 /nfs/dbraw/zinc/17/41/50/602174150.db2.gz ZUMHITHQEFSWMS-LLVKDONJSA-N -1 0 316.332 3.733 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000740715789 602178366 /nfs/dbraw/zinc/17/83/66/602178366.db2.gz PBALVSJXHFAAGF-UHFFFAOYSA-N -1 0 316.382 3.969 20 0 DHADRM Cn1cc(C(=O)Nc2ccccc2NC(=O)[O-])c2ccccc21 ZINC000740283737 602178879 /nfs/dbraw/zinc/17/88/79/602178879.db2.gz 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/nfs/dbraw/zinc/41/34/67/603413467.db2.gz DUIUBIQFYJSSDV-VIFPVBQESA-N -1 0 324.406 3.500 20 0 DHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000832288427 603431222 /nfs/dbraw/zinc/43/12/22/603431222.db2.gz UCZLJVLNJNZALO-DOTOQJQBSA-N -1 0 324.380 3.728 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3ccncc32)cc1NC(=O)[O-] ZINC000830234859 603443745 /nfs/dbraw/zinc/44/37/45/603443745.db2.gz YUGTZPKOFNCZOG-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM O=C([O-])N1CCCc2cc(NC(=O)[C@H]3CC34CCCC4)ccc21 ZINC000831773189 603459686 /nfs/dbraw/zinc/45/96/86/603459686.db2.gz STGNDQFSOISFJV-CQSZACIVSA-N -1 0 314.385 3.636 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826821679 603476109 /nfs/dbraw/zinc/47/61/09/603476109.db2.gz YDZQRMYWODQKHX-WLYUNCDWSA-N -1 0 312.454 3.630 20 0 DHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825017226 603481485 /nfs/dbraw/zinc/48/14/85/603481485.db2.gz YCOGUHNSILORHO-LLVKDONJSA-N -1 0 317.316 3.700 20 0 DHADRM Cc1nc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C ZINC000830757005 603495411 /nfs/dbraw/zinc/49/54/11/603495411.db2.gz JXBIZLDVKWRXJX-SNVBAGLBSA-N -1 0 305.403 3.701 20 0 DHADRM CCO[C@H](C)c1nc(COc2cccc(NC(=O)[O-])c2)cs1 ZINC000737882690 603511724 /nfs/dbraw/zinc/51/17/24/603511724.db2.gz SFFNBAGGPAEFRP-SNVBAGLBSA-N -1 0 322.386 3.910 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1NC(=O)[O-] ZINC000830230403 603513495 /nfs/dbraw/zinc/51/34/95/603513495.db2.gz IGHLPOLEFYFRFP-UHFFFAOYSA-N -1 0 323.352 3.829 20 0 DHADRM Cc1cccc2nc(CNc3ccc([C@H](C)NC(=O)[O-])cc3)cn21 ZINC000830545250 603522621 /nfs/dbraw/zinc/52/26/21/603522621.db2.gz IBMNZFTXYQVGJP-ZDUSSCGKSA-N -1 0 324.384 3.583 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825860409 603584997 /nfs/dbraw/zinc/58/49/97/603584997.db2.gz JEHONPCLMMSXPH-TYNCELHUSA-N -1 0 317.389 3.961 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826658860 603605476 /nfs/dbraw/zinc/60/54/76/603605476.db2.gz 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/nfs/dbraw/zinc/05/32/29/604053229.db2.gz DAAWFRDGTYXELI-UHFFFAOYSA-N -1 0 318.760 3.920 20 0 DHADRM Cc1cc(C(=O)Nc2ccccc2NC(=O)[O-])c(F)cc1F ZINC000829965715 604054025 /nfs/dbraw/zinc/05/40/25/604054025.db2.gz FXSFZZJSJRUIBF-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000827495108 604061275 /nfs/dbraw/zinc/06/12/75/604061275.db2.gz GJSSXSZNVYKBRI-KGLIPLIRSA-N -1 0 322.430 3.571 20 0 DHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC000825212973 604162513 /nfs/dbraw/zinc/16/25/13/604162513.db2.gz XFQORFDPQMVJAW-GOEBONIOSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1ccc(C(=O)Oc2ccc3ccncc3c2)cc1NC(=O)[O-] ZINC000830245247 604217777 /nfs/dbraw/zinc/21/77/77/604217777.db2.gz KXYXRFKKJAYCJX-UHFFFAOYSA-N -1 0 322.320 3.852 20 0 DHADRM Cc1ccc(C(=O)OCCc2cccs2)cc1NC(=O)[O-] ZINC000830245722 604243516 /nfs/dbraw/zinc/24/35/16/604243516.db2.gz REVAQOBFTHXUHB-UHFFFAOYSA-N -1 0 305.355 3.546 20 0 DHADRM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000825772217 604244970 /nfs/dbraw/zinc/24/49/70/604244970.db2.gz FJHHZAGSTKTPTO-IBGZPJMESA-N -1 0 324.380 3.580 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826832750 604295693 /nfs/dbraw/zinc/29/56/93/604295693.db2.gz XATOWOKHWSQIRX-CQSZACIVSA-N -1 0 321.392 3.955 20 0 DHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818929856 604300333 /nfs/dbraw/zinc/30/03/33/604300333.db2.gz VOOGKIXQTWSLEV-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000235773279 604300501 /nfs/dbraw/zinc/30/05/01/604300501.db2.gz YRSKMPZGSDCTMT-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCC[C@H]1C ZINC000829602262 604305075 /nfs/dbraw/zinc/30/50/75/604305075.db2.gz JHMOXSLIEBBATD-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000828709956 604310126 /nfs/dbraw/zinc/31/01/26/604310126.db2.gz USLSOPPYUGDMJB-MNOVXSKESA-N -1 0 307.365 3.563 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829207778 604375106 /nfs/dbraw/zinc/37/51/06/604375106.db2.gz FINFDRXZHIJKNO-BBRMVZONSA-N -1 0 305.418 3.781 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000146647136 604377433 /nfs/dbraw/zinc/37/74/33/604377433.db2.gz AZNUDDZBWKTVNT-UHFFFAOYSA-N -1 0 303.745 3.623 20 0 DHADRM CCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])o1 ZINC000830218610 604387848 /nfs/dbraw/zinc/38/78/48/604387848.db2.gz DRJUJXSJVQIEQI-UHFFFAOYSA-N -1 0 307.733 3.754 20 0 DHADRM CC(C)C(NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C(C)C ZINC000826699711 604451474 /nfs/dbraw/zinc/45/14/74/604451474.db2.gz MCMFEGXXQFUHCT-UHFFFAOYSA-N -1 0 307.394 3.603 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828709293 604474912 /nfs/dbraw/zinc/47/49/12/604474912.db2.gz QSVILLYLQCVLPA-GZBFAFLISA-N -1 0 320.433 3.572 20 0 DHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829718745 604485842 /nfs/dbraw/zinc/48/58/42/604485842.db2.gz RDJXKSNVXKDCHV-UHFFFAOYSA-N -1 0 318.398 3.809 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000826832127 604487236 /nfs/dbraw/zinc/48/72/36/604487236.db2.gz MDSTYJRCMYNHKX-NSHDSACASA-N -1 0 310.419 3.736 20 0 DHADRM C[C@H](c1ccco1)N(C(=O)Nc1cc(C(=O)[O-])cs1)C1CC1 ZINC000827957728 604499530 /nfs/dbraw/zinc/49/95/30/604499530.db2.gz OSSHIHKCLUZNNR-SECBINFHSA-N -1 0 320.370 3.797 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000829238245 604502589 /nfs/dbraw/zinc/50/25/89/604502589.db2.gz ORBITZCKQLBLPS-HNNXBMFYSA-N -1 0 310.419 3.880 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000832921102 604505216 /nfs/dbraw/zinc/50/52/16/604505216.db2.gz LNGYZGPNJJRTEB-NSHDSACASA-N -1 0 318.398 3.946 20 0 DHADRM O=C([O-])c1occc1CNc1ccc(-c2nccs2)cc1 ZINC000833785253 604517313 /nfs/dbraw/zinc/51/73/13/604517313.db2.gz MDMWLZDXWFFTNB-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)cc1Cl ZINC000833694123 604520599 /nfs/dbraw/zinc/52/05/99/604520599.db2.gz AALDCUCZEVOKJE-UHFFFAOYSA-N -1 0 313.184 3.652 20 0 DHADRM Cc1cccc(C(=O)N(C)c2ccccc2C(=O)[O-])c1Cl ZINC000160220519 604522303 /nfs/dbraw/zinc/52/23/03/604522303.db2.gz RGNXOKFXNWHREV-UHFFFAOYSA-N -1 0 303.745 3.623 20 0 DHADRM CCCCN(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829389868 604522776 /nfs/dbraw/zinc/52/27/76/604522776.db2.gz VXIVFGRCFICNQI-HNNXBMFYSA-N -1 0 320.433 3.670 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000832921492 604524465 /nfs/dbraw/zinc/52/44/65/604524465.db2.gz RPPMZWAIHNYIRF-MRVPVSSYSA-N -1 0 310.400 3.699 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000832965909 604524754 /nfs/dbraw/zinc/52/47/54/604524754.db2.gz HDRGWRXQVHUAFK-NSHDSACASA-N -1 0 318.398 3.946 20 0 DHADRM CN(CC(C)(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830702114 604527665 /nfs/dbraw/zinc/52/76/65/604527665.db2.gz NASMYBHUNNXBLM-AWEZNQCLSA-N -1 0 320.433 3.526 20 0 DHADRM CC(C)C(C)(C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826677824 604534084 /nfs/dbraw/zinc/53/40/84/604534084.db2.gz ZZDPHALMTKOZOQ-CQSZACIVSA-N -1 0 320.433 3.572 20 0 DHADRM CC(C)(C)Oc1cccc(CSc2ncccc2C(=O)[O-])n1 ZINC000833446570 604541745 /nfs/dbraw/zinc/54/17/45/604541745.db2.gz BFRDEUXNVRDHQJ-UHFFFAOYSA-N -1 0 318.398 3.644 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2ccc(Cl)s2)oc1C(=O)[O-] ZINC000832874026 604542688 /nfs/dbraw/zinc/54/26/88/604542688.db2.gz HERXXCNEZIWIPH-ZETCQYMHSA-N -1 0 314.746 3.919 20 0 DHADRM Cc1cc([C@H](C)OC(=O)CCc2ccccc2F)oc1C(=O)[O-] ZINC000832872656 604548332 /nfs/dbraw/zinc/54/83/32/604548332.db2.gz SQNJGLXJDVKZBF-NSHDSACASA-N -1 0 320.316 3.662 20 0 DHADRM CCN(C(=O)c1ccc(C(C)C)nc1)c1ccccc1C(=O)[O-] ZINC000829602260 604553741 /nfs/dbraw/zinc/55/37/41/604553741.db2.gz JHDXBFHBSXRGQI-UHFFFAOYSA-N -1 0 312.369 3.570 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1 ZINC000833559319 604559888 /nfs/dbraw/zinc/55/98/88/604559888.db2.gz ZPGZRXMVCNRPIB-KBPBESRZSA-N -1 0 315.413 3.808 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1sc2ccccc2c1Cl ZINC000042144668 604563685 /nfs/dbraw/zinc/56/36/85/604563685.db2.gz NQPONLIELSJVCQ-SECBINFHSA-N -1 0 323.801 3.634 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000833384214 604567615 /nfs/dbraw/zinc/56/76/15/604567615.db2.gz ANUWBKGHNWWNMO-BENRWUELSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@@H]1C ZINC000390891727 604589149 /nfs/dbraw/zinc/58/91/49/604589149.db2.gz CDXMWRXUZWHYEC-CHWSQXEVSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)c2cccc(F)c2)oc1C(=O)[O-] ZINC000832878935 604592830 /nfs/dbraw/zinc/59/28/30/604592830.db2.gz ZIVUVQFXWORFMC-GHMZBOCLSA-N -1 0 320.316 3.833 20 0 DHADRM CC1(CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCC1 ZINC000833562906 604602227 /nfs/dbraw/zinc/60/22/27/604602227.db2.gz BCJIOZPEBOPRNC-UHFFFAOYSA-N -1 0 322.430 3.565 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000761977837 604613526 /nfs/dbraw/zinc/61/35/26/604613526.db2.gz JUHXHKAUJFRJNX-GAJOTYCWSA-N -1 0 321.804 3.599 20 0 DHADRM CCc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000161691776 604630285 /nfs/dbraw/zinc/63/02/85/604630285.db2.gz UYXWTIQONZNBHF-UHFFFAOYSA-N -1 0 303.745 3.853 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)C1CCCC1 ZINC000190917734 604632779 /nfs/dbraw/zinc/63/27/79/604632779.db2.gz OIQZHSPYLWJDIZ-UHFFFAOYSA-N -1 0 303.402 3.560 20 0 DHADRM C[C@@H](CC(=O)Nc1ccccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000824704158 604636317 /nfs/dbraw/zinc/63/63/17/604636317.db2.gz XUGXJNYNAKDLEZ-NSHDSACASA-N -1 0 324.808 3.695 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000829347756 604651281 /nfs/dbraw/zinc/65/12/81/604651281.db2.gz MEPHWYWJXREKHP-HNNXBMFYSA-N -1 0 304.390 3.961 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000829207550 604651286 /nfs/dbraw/zinc/65/12/86/604651286.db2.gz ADCROSSSUJGPMU-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM Cc1ccc(-c2ncc(CN3CCCC[C@@H]3C(=O)[O-])s2)cc1 ZINC000263376868 604652694 /nfs/dbraw/zinc/65/26/94/604652694.db2.gz AVMQBUCALMYTCF-OAHLLOKOSA-N -1 0 316.426 3.558 20 0 DHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000833418047 604658455 /nfs/dbraw/zinc/65/84/55/604658455.db2.gz BQTLALKOOULGDH-UHFFFAOYSA-N -1 0 308.349 3.784 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC000833411808 604660930 /nfs/dbraw/zinc/66/09/30/604660930.db2.gz QCNWLJSWCXGCFG-UHFFFAOYSA-N -1 0 311.328 3.818 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000539676128 604664494 /nfs/dbraw/zinc/66/44/94/604664494.db2.gz IMQDIOASUDNLMC-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM C[C@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000827853918 604693205 /nfs/dbraw/zinc/69/32/05/604693205.db2.gz PMACTRSBMMCWRN-ZETCQYMHSA-N -1 0 312.680 3.688 20 0 DHADRM CN(C(=O)c1cc2c(cccc2F)s1)C1(C(=O)[O-])CCCC1 ZINC000319806976 604712635 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CC[C@H](CC1CCCC1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828874974 604725741 /nfs/dbraw/zinc/72/57/41/604725741.db2.gz YLQPWMKHBRVZQU-GFCCVEGCSA-N -1 0 324.446 3.705 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000761683877 604740248 /nfs/dbraw/zinc/74/02/48/604740248.db2.gz VFASPKUBECUYLT-KHPPLWFESA-N -1 0 321.804 3.503 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000761600215 604743966 /nfs/dbraw/zinc/74/39/66/604743966.db2.gz LWSJCYVMSBJCKP-KHPPLWFESA-N -1 0 309.793 3.503 20 0 DHADRM CCc1nc(CSCc2ccc(C(=O)[O-])cc2F)cs1 ZINC000833673916 604752888 /nfs/dbraw/zinc/75/28/88/604752888.db2.gz VDAQAHKDDRKNCK-UHFFFAOYSA-N -1 0 311.403 3.976 20 0 DHADRM CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572729286 604758104 /nfs/dbraw/zinc/75/81/04/604758104.db2.gz WQXYOLNXHOTRJY-KGLIPLIRSA-N -1 0 311.422 3.630 20 0 DHADRM Cc1ccc(-c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)cc1F ZINC000832907686 604762375 /nfs/dbraw/zinc/76/23/75/604762375.db2.gz 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/nfs/dbraw/zinc/80/12/89/604801289.db2.gz MPEXAXIKWRSMTK-LLVKDONJSA-N -1 0 315.344 3.577 20 0 DHADRM CCC(CC)n1ccc(CNc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000828870273 604814918 /nfs/dbraw/zinc/81/49/18/604814918.db2.gz MIQGOCVJCYAQFG-UHFFFAOYSA-N -1 0 301.390 3.863 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000362222245 604828126 /nfs/dbraw/zinc/82/81/26/604828126.db2.gz RSPYVPSIEUFYHW-ZDUSSCGKSA-N -1 0 315.394 3.813 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000833425512 604861829 /nfs/dbraw/zinc/86/18/29/604861829.db2.gz DDMMNCWKNKWSPR-UHFFFAOYSA-N -1 0 308.403 3.656 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC000323835547 604863316 /nfs/dbraw/zinc/86/33/16/604863316.db2.gz MZUGOFGPGFRCNQ-UHFFFAOYSA-N -1 0 320.364 3.734 20 0 DHADRM C[C@H](OC(=O)c1cnccc1C(=O)[O-])c1cccc2ccccc21 ZINC000827872916 604869224 /nfs/dbraw/zinc/86/92/24/604869224.db2.gz BBROLKSMDSVTHT-LBPRGKRZSA-N -1 0 321.332 3.851 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000134983522 604870576 /nfs/dbraw/zinc/87/05/76/604870576.db2.gz MWIINOBCLUYMIT-NSHDSACASA-N -1 0 304.415 3.624 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000134984643 604871923 /nfs/dbraw/zinc/87/19/23/604871923.db2.gz UMVDVWYAORVJET-LLVKDONJSA-N -1 0 304.415 3.624 20 0 DHADRM C[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1cccs1 ZINC000833411526 604877217 /nfs/dbraw/zinc/87/72/17/604877217.db2.gz PDDSERUTYXSNMJ-ZETCQYMHSA-N -1 0 322.411 3.522 20 0 DHADRM CCC1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CCCC1 ZINC000833645340 604878820 /nfs/dbraw/zinc/87/88/20/604878820.db2.gz DWMIGCBXSRGPGL-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000649364759 604880848 /nfs/dbraw/zinc/88/08/48/604880848.db2.gz NMAADESLPUNUOL-UONOGXRCSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000649364758 604880901 /nfs/dbraw/zinc/88/09/01/604880901.db2.gz 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ZINC000827089239 604912994 /nfs/dbraw/zinc/91/29/94/604912994.db2.gz SDSXULANUSPGDB-JTQLQIEISA-N -1 0 320.723 3.508 20 0 DHADRM C[C@]1(NC(=O)c2ccc3sccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000262784567 604965080 /nfs/dbraw/zinc/96/50/80/604965080.db2.gz MPDULORGTCKVKF-GUYCJALGSA-N -1 0 317.410 3.665 20 0 DHADRM C[C@@H](OC(=O)c1c[nH]c2cccc(F)c21)c1ccc(C(=O)[O-])o1 ZINC000833534369 604965793 /nfs/dbraw/zinc/96/57/93/604965793.db2.gz YFVBIQKOYCAWCA-MRVPVSSYSA-N -1 0 317.272 3.516 20 0 DHADRM CC(C)[C@@H](OC(=O)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833473006 604977561 /nfs/dbraw/zinc/97/75/61/604977561.db2.gz NTOSQIMGOIXYPG-CQSZACIVSA-N -1 0 318.291 3.811 20 0 DHADRM CC(C)Oc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1Cl ZINC000827058703 604990332 /nfs/dbraw/zinc/99/03/32/604990332.db2.gz SCFSHFMUVIWMLE-OAHLLOKOSA-N -1 0 320.776 3.760 20 0 DHADRM CC(C)CCOc1cccc(N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000826860777 604995846 /nfs/dbraw/zinc/99/58/46/604995846.db2.gz HBZQUWFRNLOFLD-QGZVFWFLSA-N -1 0 314.385 3.744 20 0 DHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000833224768 604999058 /nfs/dbraw/zinc/99/90/58/604999058.db2.gz BOWVNCKDCXDMHQ-INIZCTEOSA-N -1 0 324.465 3.776 20 0 DHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833616586 605010054 /nfs/dbraw/zinc/01/00/54/605010054.db2.gz DPIDMOXHPZFINQ-YVEFUNNKSA-N -1 0 324.380 3.830 20 0 DHADRM CC[C@@H](OC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000833645260 605016226 /nfs/dbraw/zinc/01/62/26/605016226.db2.gz NJHCLTBMOVPVOM-CYBMUJFWSA-N -1 0 306.383 3.630 20 0 DHADRM Cc1scc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000399950433 605025372 /nfs/dbraw/zinc/02/53/72/605025372.db2.gz ZMLPKRJDQBNZRD-UHFFFAOYSA-N -1 0 311.309 3.594 20 0 DHADRM Cc1scc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1C ZINC000833759061 605026829 /nfs/dbraw/zinc/02/68/29/605026829.db2.gz KQGWNUOOSSMRSF-UHFFFAOYSA-N -1 0 321.373 3.626 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000833409304 605030416 /nfs/dbraw/zinc/03/04/16/605030416.db2.gz LITFQDXXVWZBLP-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000721837938 605042784 /nfs/dbraw/zinc/04/27/84/605042784.db2.gz NJVMAXLLWBTZIK-SFYZADRCSA-N -1 0 318.826 3.500 20 0 DHADRM C/C(=C\COc1c(C=O)cc(Cl)c2ccccc21)C(=O)[O-] ZINC000833385154 605043607 /nfs/dbraw/zinc/04/36/07/605043607.db2.gz UFZJMHVERZJANT-UXBLZVDNSA-N -1 0 304.729 3.715 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1c(F)cccc1F ZINC000833409382 605044418 /nfs/dbraw/zinc/04/44/18/605044418.db2.gz MZGPEHZVJGSQDY-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM CCC[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)C(C)C ZINC000833648399 605046585 /nfs/dbraw/zinc/04/65/85/605046585.db2.gz RYVTZXQYZBFGIH-AWEZNQCLSA-N -1 0 310.415 3.841 20 0 DHADRM CC(C)n1cccc1C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000833513835 605053169 /nfs/dbraw/zinc/05/31/69/605053169.db2.gz VYUSWRIZZRKJCH-UHFFFAOYSA-N -1 0 307.733 3.640 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000833556511 605077204 /nfs/dbraw/zinc/07/72/04/605077204.db2.gz BEABGHMKNSHWGX-GFCCVEGCSA-N -1 0 303.402 3.814 20 0 DHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC000833610812 605091192 /nfs/dbraw/zinc/09/11/92/605091192.db2.gz LSFHVLXJERNERZ-APPDUMDISA-N -1 0 320.364 3.568 20 0 DHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC000833608685 605097934 /nfs/dbraw/zinc/09/79/34/605097934.db2.gz BWYKAIUAFDRYRL-PIGZYNQJSA-N -1 0 320.364 3.568 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000190635041 605107587 /nfs/dbraw/zinc/10/75/87/605107587.db2.gz UDGOIPMECPGNAI-INIZCTEOSA-N -1 0 317.429 3.674 20 0 DHADRM CC(C)N(Cc1cccs1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000315274676 605128545 /nfs/dbraw/zinc/12/85/45/605128545.db2.gz FBMRPYKNHJYDNM-UHFFFAOYSA-N -1 0 318.398 3.889 20 0 DHADRM CCCN(CC1CC1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000048996152 605130210 /nfs/dbraw/zinc/13/02/10/605130210.db2.gz PXQDQWXKMURZPR-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM 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CSc1ccc(C)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237314306 949956412 /nfs/dbraw/zinc/95/64/12/949956412.db2.gz TUPNZZOLUAEYBA-ZDUSSCGKSA-N -1 0 321.442 3.576 20 0 DHADRM C[C@H](N=c1nc(C2CCCCC2)[n-]s1)c1cncc(F)c1 ZINC000517915007 1013097923 /nfs/dbraw/zinc/09/79/23/1013097923.db2.gz HOROFBMXGGSMIP-JTQLQIEISA-N -1 0 306.410 3.715 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000683298866 1013099223 /nfs/dbraw/zinc/09/92/23/1013099223.db2.gz KVOKFLJXABYCGG-NSHDSACASA-N -1 0 323.801 3.656 20 0 DHADRM CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589702949 950243142 /nfs/dbraw/zinc/24/31/42/950243142.db2.gz HXGWXSOIBWYOSS-SSDOTTSWSA-N -1 0 320.723 3.605 20 0 DHADRM CCN(C(=O)Nc1ccccc1SC(C)C)[C@@H](C)C(=O)[O-] ZINC001589707108 950301862 /nfs/dbraw/zinc/30/18/62/950301862.db2.gz MHECZIOZAXHPKQ-NSHDSACASA-N -1 0 310.419 3.514 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)NCCC(C)(C)C(=O)[O-])s2)o1 ZINC000263168921 950308513 /nfs/dbraw/zinc/30/85/13/950308513.db2.gz 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971721224 /nfs/dbraw/zinc/72/12/24/971721224.db2.gz XUVXKBPDUFCDAE-LBPRGKRZSA-N -1 0 317.495 3.694 20 0 DHADRM CCOc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(F)c1 ZINC001592691529 951351444 /nfs/dbraw/zinc/35/14/44/951351444.db2.gz KQAAVLUJVJVWEO-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM O=C([O-])Cc1ccc(Oc2nccc(Oc3ccccc3)n2)cc1 ZINC001595130787 952031998 /nfs/dbraw/zinc/03/19/98/952031998.db2.gz ORXYFGKPWFMMBT-UHFFFAOYSA-N -1 0 322.320 3.688 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H](F)CC2CCCCC2)c1 ZINC001595130797 952033569 /nfs/dbraw/zinc/03/35/69/952033569.db2.gz PIQKYQQUPIGEQV-HNNXBMFYSA-N -1 0 307.365 3.561 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@@H]2CCC=CCCC2)c1 ZINC001595131718 952034904 /nfs/dbraw/zinc/03/49/04/952034904.db2.gz GORRBRZSRFSMFB-CQSZACIVSA-N -1 0 316.401 3.572 20 0 DHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CC2CCC1CC2 ZINC000382097702 971799397 /nfs/dbraw/zinc/79/93/97/971799397.db2.gz JRCIWPAIUWOYLP-PRLABOORSA-N -1 0 321.461 3.743 20 0 DHADRM 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CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001603021519 972080534 /nfs/dbraw/zinc/08/05/34/972080534.db2.gz LCSYSVOUERWZKC-STQMWFEESA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CCC1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001603021629 972081299 /nfs/dbraw/zinc/08/12/99/972081299.db2.gz SEOQQMHQYGXEKA-MRXNPFEDSA-N -1 0 309.450 3.552 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000761729671 955313555 /nfs/dbraw/zinc/31/35/55/955313555.db2.gz QPEPLVIYSZAIHX-UNJUUPHPSA-N -1 0 323.820 3.606 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCC2CCCCCC2)C1 ZINC000655541123 1013134133 /nfs/dbraw/zinc/13/41/33/1013134133.db2.gz WHNPFTWGDTVDHL-INIZCTEOSA-N -1 0 309.450 3.840 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589013032 955397704 /nfs/dbraw/zinc/39/77/04/955397704.db2.gz MMFLXGGZFSXSSF-ZDUSSCGKSA-N -1 0 303.402 3.608 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013115 955398478 /nfs/dbraw/zinc/39/84/78/955398478.db2.gz 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CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC001573501213 959063667 /nfs/dbraw/zinc/06/36/67/959063667.db2.gz WPGPCFAVDSGPJK-YWPYICTPSA-N -1 0 323.820 3.654 20 0 DHADRM O=C([O-])C1(CNc2cccc(C(F)(F)F)n2)CCCCC1 ZINC000157956524 959079901 /nfs/dbraw/zinc/07/99/01/959079901.db2.gz NYIMTSZHMMNOJQ-UHFFFAOYSA-N -1 0 302.296 3.547 20 0 DHADRM CC(C)C[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573516645 959100224 /nfs/dbraw/zinc/10/02/24/959100224.db2.gz ALLBWKYQZVCMMK-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573516857 959105638 /nfs/dbraw/zinc/10/56/38/959105638.db2.gz KUMHZETXZWNBPC-SGMXSJEJSA-N -1 0 319.401 3.712 20 0 DHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594184496 959107174 /nfs/dbraw/zinc/10/71/74/959107174.db2.gz PFOXNUATLSYFBR-MRXNPFEDSA-N -1 0 323.458 3.550 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)C(C)C)C(=O)[O-] ZINC001573525090 959144594 /nfs/dbraw/zinc/14/45/94/959144594.db2.gz YCXBRVSNZRAFFG-DLBZAZTESA-N -1 0 319.445 3.507 20 0 DHADRM CSc1ccccc1[C@@H](C)OC(=O)C1(CC(=O)[O-])CCC1 ZINC001594197861 959212153 /nfs/dbraw/zinc/21/21/53/959212153.db2.gz INPKYHUWKWMJIU-LLVKDONJSA-N -1 0 308.399 3.658 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001573566972 959292524 /nfs/dbraw/zinc/29/25/24/959292524.db2.gz ONQIPXPNVYHHCY-ZDUSSCGKSA-N -1 0 312.797 3.694 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573567341 959294882 /nfs/dbraw/zinc/29/48/82/959294882.db2.gz ULBWDDKIHKOAOY-KRWDZBQOSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCC(C)(C)c1ccccc1 ZINC001594212374 959301135 /nfs/dbraw/zinc/30/11/35/959301135.db2.gz LNOUJMNGIBHQBD-GDBMZVCRSA-N -1 0 317.429 3.599 20 0 DHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573608801 959470763 /nfs/dbraw/zinc/47/07/63/959470763.db2.gz ZOICTOMPYRQING-CJNGLKHVSA-N -1 0 319.445 3.604 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000190600701 959514061 /nfs/dbraw/zinc/51/40/61/959514061.db2.gz RNPCMGFUZZQIDX-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1Cl ZINC001594240632 959528825 /nfs/dbraw/zinc/52/88/25/959528825.db2.gz FQCWPYKXMXJBTJ-FGEFZZPRSA-N -1 0 319.744 3.522 20 0 DHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000192971835 959600451 /nfs/dbraw/zinc/60/04/51/959600451.db2.gz ZFYCLUDLYISERF-CQSZACIVSA-N -1 0 319.445 3.748 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000193108909 959618841 /nfs/dbraw/zinc/61/88/41/959618841.db2.gz LNIVCIBCMXSXFM-SNVBAGLBSA-N -1 0 313.309 3.523 20 0 DHADRM CC(C)Cc1ccc([C@H](C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000204886888 959655974 /nfs/dbraw/zinc/65/59/74/959655974.db2.gz ZSMNLGPKBHMCCI-HNNXBMFYSA-N -1 0 319.445 3.750 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001588636005 959660546 /nfs/dbraw/zinc/66/05/46/959660546.db2.gz RSCCSNRDAFCSLD-PMPSAXMXSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001588642395 959701588 /nfs/dbraw/zinc/70/15/88/959701588.db2.gz BVOGRXRPNANNMP-GUTXKFCHSA-N -1 0 315.413 3.664 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588643727 959718054 /nfs/dbraw/zinc/71/80/54/959718054.db2.gz SXSQKSWDCLFKON-PQAPVRDISA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC001588647166 959744170 /nfs/dbraw/zinc/74/41/70/959744170.db2.gz CQUAKYQLEGCYFW-INIZCTEOSA-N -1 0 315.413 3.655 20 0 DHADRM COc1ccccc1[C@H](CC(C)C)OC(=O)CCCC(=O)[O-] ZINC001574237518 960439693 /nfs/dbraw/zinc/43/96/93/960439693.db2.gz XBHWDNRVSHXFBF-HNNXBMFYSA-N -1 0 308.374 3.581 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574257545 960545035 /nfs/dbraw/zinc/54/50/35/960545035.db2.gz LVEAQFWUZLXCHN-DTWKUNHWSA-N -1 0 313.806 3.501 20 0 DHADRM CSc1cc(C)ccc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574257831 960550530 /nfs/dbraw/zinc/55/05/30/960550530.db2.gz XHHYJXMUHYUWNA-AWEZNQCLSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC001574258186 960555404 /nfs/dbraw/zinc/55/54/04/960555404.db2.gz YIXARONXXIJTQT-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)C1CCC(C)CC1 ZINC001573758987 960591358 /nfs/dbraw/zinc/59/13/58/960591358.db2.gz MVLKXYCZLRAZOB-IHTQCXBNSA-N -1 0 309.450 3.551 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001573769887 960654804 /nfs/dbraw/zinc/65/48/04/960654804.db2.gz GYVYSRWGEGETHV-KGLIPLIRSA-N -1 0 317.429 3.557 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573770605 960665598 /nfs/dbraw/zinc/66/55/98/960665598.db2.gz SRKWPNUGUDDROZ-BBRMVZONSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1cc(Cl)ccc1F ZINC001574289447 960675899 /nfs/dbraw/zinc/67/58/99/960675899.db2.gz PAQUDRNUAJWRTL-VIFPVBQESA-N -1 0 302.729 3.728 20 0 DHADRM CCCCC[C@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000236640177 960721982 /nfs/dbraw/zinc/72/19/82/960721982.db2.gz XWBGWJPWXCGXCZ-HNNXBMFYSA-N -1 0 305.418 3.504 20 0 DHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236669787 960728038 /nfs/dbraw/zinc/72/80/38/960728038.db2.gz QKOVFPHOXQEKCM-ZDUSSCGKSA-N -1 0 317.410 3.616 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1csc(-c2ccccc2)n1 ZINC001573784969 960731955 /nfs/dbraw/zinc/73/19/55/960731955.db2.gz PECZBECBXVUKII-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM Cc1cc(C(F)F)oc1C(=O)Nc1sccc1C(=O)[O-] ZINC001574319409 960816891 /nfs/dbraw/zinc/81/68/91/960816891.db2.gz OBIUZNNJALIEST-UHFFFAOYSA-N -1 0 301.270 3.538 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573809971 960879743 /nfs/dbraw/zinc/87/97/43/960879743.db2.gz ZURSCTVYEPWCNW-HZPDHXFCSA-N -1 0 319.445 3.651 20 0 DHADRM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237167702 960880892 /nfs/dbraw/zinc/88/08/92/960880892.db2.gz IPGGQQMRBGUIFM-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001319418025 960948864 /nfs/dbraw/zinc/94/88/64/960948864.db2.gz XBAMEFZUHBSGSX-CYBMUJFWSA-N -1 0 311.381 3.998 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319845309 960958268 /nfs/dbraw/zinc/95/82/68/960958268.db2.gz CLGXNCXXGJWWQX-QWHCGFSZSA-N -1 0 315.394 3.805 20 0 DHADRM C[C@H]1CCc2sc(C(=O)NCCCCCCC(=O)[O-])cc2C1 ZINC000237570939 960965006 /nfs/dbraw/zinc/96/50/06/960965006.db2.gz IRPAXCNGZQNGQW-LBPRGKRZSA-N -1 0 323.458 3.638 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(c2nc3cccc(C)c3s2)C1 ZINC001573822339 960970264 /nfs/dbraw/zinc/97/02/64/960970264.db2.gz KANJEJSWQSHCOC-INIZCTEOSA-N -1 0 304.415 3.686 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(c2nc3cccc(C)c3s2)C1 ZINC001573822342 960970594 /nfs/dbraw/zinc/97/05/94/960970594.db2.gz KANJEJSWQSHCOC-MRXNPFEDSA-N -1 0 304.415 3.686 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000013467922 1013216613 /nfs/dbraw/zinc/21/66/13/1013216613.db2.gz BNMAYZJSYULUFO-IXDOHACOSA-N -1 0 315.413 3.557 20 0 DHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001322666126 961012835 /nfs/dbraw/zinc/01/28/35/961012835.db2.gz PQTDOFWQDTXIOC-AWEZNQCLSA-N -1 0 317.410 3.565 20 0 DHADRM CC[C@H]1CCc2c(sc(NC(=O)CC3CC3)c2C(=O)[O-])C1 ZINC001573830936 961017967 /nfs/dbraw/zinc/01/79/67/961017967.db2.gz WNXRAOVYBHGCAH-VIFPVBQESA-N -1 0 307.415 3.700 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccccc1F ZINC001324184706 961030366 /nfs/dbraw/zinc/03/03/66/961030366.db2.gz YCRFDAADIDYXJE-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CCCCC1CCC(CNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001573840348 961062658 /nfs/dbraw/zinc/06/26/58/961062658.db2.gz GZLBSBZTSWFHLC-UHFFFAOYSA-N -1 0 318.417 3.506 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001574369276 961066230 /nfs/dbraw/zinc/06/62/30/961066230.db2.gz SAZHMMCIWHYGGT-AATRIKPKSA-N -1 0 319.744 3.616 20 0 DHADRM CCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001573840711 961069597 /nfs/dbraw/zinc/06/95/97/961069597.db2.gz HLOUQCVQQJUJOX-BDAKNGLRSA-N -1 0 311.403 3.597 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574381658 961106665 /nfs/dbraw/zinc/10/66/65/961106665.db2.gz DWZBWOGICYIFNV-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1ccc(SCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001574382206 961112075 /nfs/dbraw/zinc/11/20/75/961112075.db2.gz IQMLGWNZVHADFX-UHFFFAOYSA-N -1 0 316.378 3.529 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2c(s1)CCCCC2 ZINC000238130721 961119004 /nfs/dbraw/zinc/11/90/04/961119004.db2.gz UURBYHYRCLOPPY-UHFFFAOYSA-N -1 0 323.458 3.782 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])c2)c1 ZINC001574383145 961124686 /nfs/dbraw/zinc/12/46/86/961124686.db2.gz COBNNAISOPPVOZ-RDTXWAMCSA-N -1 0 323.392 3.740 20 0 DHADRM Cc1ccc2sc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)cc2c1 ZINC001574384911 961130472 /nfs/dbraw/zinc/13/04/72/961130472.db2.gz UCRAANGUYMYDRV-NWDGAFQWSA-N -1 0 317.410 3.535 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3CC=CCC3)ccc2s1 ZINC000238208703 961161533 /nfs/dbraw/zinc/16/15/33/961161533.db2.gz KYSMRGYFWDGWRR-JTQLQIEISA-N -1 0 301.367 3.894 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001588741002 961164545 /nfs/dbraw/zinc/16/45/45/961164545.db2.gz HNBQIXWOUYWADB-UHFFFAOYSA-N -1 0 317.410 3.674 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001573862620 961182180 /nfs/dbraw/zinc/18/21/80/961182180.db2.gz ZYYHRCOYFRRTMY-GOSISDBHSA-N -1 0 317.385 3.533 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)cc1 ZINC001327820239 961182647 /nfs/dbraw/zinc/18/26/47/961182647.db2.gz WTZFKMPXZWTODY-SFHVURJKSA-N -1 0 323.392 3.818 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N(C)C(C)(C)CC(=O)[O-])cc1 ZINC001329495849 961274100 /nfs/dbraw/zinc/27/41/00/961274100.db2.gz PSDLFQFPNRZKLH-VOTSOKGWSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CC1 ZINC000262068856 961428409 /nfs/dbraw/zinc/42/84/09/961428409.db2.gz JTZCBJIGPCIKDZ-DDTOSNHZSA-N -1 0 321.804 3.503 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001588803630 961453187 /nfs/dbraw/zinc/45/31/87/961453187.db2.gz HOEFKNUXIMNGPH-ZACQAIPSSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1ccc([C@H](NC(=O)Cc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000262108589 961467122 /nfs/dbraw/zinc/46/71/22/961467122.db2.gz FGSBTQNDBPOJFX-IBGZPJMESA-N -1 0 323.392 3.503 20 0 DHADRM Cn1ccc2cccc(NC(=O)C3(C(=O)[O-])CCCCCC3)c21 ZINC001574456819 961518053 /nfs/dbraw/zinc/51/80/53/961518053.db2.gz UUOXUMXCTIZRCB-UHFFFAOYSA-N -1 0 314.385 3.542 20 0 DHADRM Cc1cc(C)c(NC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262179265 961527089 /nfs/dbraw/zinc/52/70/89/961527089.db2.gz MDYPNIHPFKTJKE-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM CCOc1ccc(Cl)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001573920261 961528792 /nfs/dbraw/zinc/52/87/92/961528792.db2.gz UYPBMFQREZVTMO-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM CC(C)[C@@H](CC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC001588815809 961575600 /nfs/dbraw/zinc/57/56/00/961575600.db2.gz YQVBASWXDUIJES-DJIMGWMZSA-N -1 0 317.429 3.671 20 0 DHADRM CCSc1ccccc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001573931631 961580541 /nfs/dbraw/zinc/58/05/41/961580541.db2.gz FFYSVWJJLDKQHE-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)CC ZINC001332578493 961592580 /nfs/dbraw/zinc/59/25/80/961592580.db2.gz IVVPTOMNESSDFD-PLRDFKKJSA-N -1 0 301.386 3.540 20 0 DHADRM CCc1cccc(F)c1C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573960396 961681327 /nfs/dbraw/zinc/68/13/27/961681327.db2.gz GETORAAOSWJUMO-QGZVFWFLSA-N -1 0 313.372 3.572 20 0 DHADRM CCc1cccc(N(C)C(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001573961500 961690209 /nfs/dbraw/zinc/69/02/09/961690209.db2.gz YJYREMXHHQJKJY-UHFFFAOYSA-N -1 0 303.402 3.637 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)cc1 ZINC001333523717 961715081 /nfs/dbraw/zinc/71/50/81/961715081.db2.gz WPIUIXYHFWVYEC-RHSMWYFYSA-N -1 0 317.429 3.843 20 0 DHADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000262556081 961770758 /nfs/dbraw/zinc/77/07/58/961770758.db2.gz UGDLUIOJTKLDPL-CQDKDKBSSA-N -1 0 321.804 3.506 20 0 DHADRM C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc2ccccc2c1 ZINC001334201791 961780988 /nfs/dbraw/zinc/78/09/88/961780988.db2.gz JCJBMIMMFFFGIQ-CYBMUJFWSA-N -1 0 313.397 3.655 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000262684846 961806523 /nfs/dbraw/zinc/80/65/23/961806523.db2.gz BZYKROVCJBMMIW-SHTZXODSSA-N -1 0 323.392 3.768 20 0 DHADRM CC(C)[C@@H]1CCC[C@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001588842287 961816669 /nfs/dbraw/zinc/81/66/69/961816669.db2.gz XPIFGQRUEHILEW-BXUZGUMPSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)[C@H]1N(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC12CCCC2 ZINC001588842646 961823294 /nfs/dbraw/zinc/82/32/94/961823294.db2.gz KNYHNJRNOUOXPM-CYBMUJFWSA-N -1 0 321.461 3.551 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCCCC2 ZINC001588842625 961823906 /nfs/dbraw/zinc/82/39/06/961823906.db2.gz KAIIHCCANXMMDJ-XHSDSOJGSA-N -1 0 321.461 3.695 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1)C(=O)[O-] ZINC000262763644 961855783 /nfs/dbraw/zinc/85/57/83/961855783.db2.gz KOZQTJPAPZRNPG-VXGBXAGGSA-N -1 0 317.410 3.754 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000262795551 961869378 /nfs/dbraw/zinc/86/93/78/961869378.db2.gz ABVFZRWEAZZOKK-MNOVXSKESA-N -1 0 311.328 3.628 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccccc3)CC2)c1 ZINC000262829103 961894729 /nfs/dbraw/zinc/89/47/29/961894729.db2.gz BIWNYZRIUNAAQY-ZDUSSCGKSA-N -1 0 309.365 3.545 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc3cccc(Cl)c3s2)CCCC1 ZINC001574549764 961972139 /nfs/dbraw/zinc/97/21/39/961972139.db2.gz SNZHRXDSSHPTMU-UHFFFAOYSA-N -1 0 323.801 3.682 20 0 DHADRM CC[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262931453 962015024 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ZINC000630162351 975137470 /nfs/dbraw/zinc/13/74/70/975137470.db2.gz ITELGDUTHFCSKR-UHFFFAOYSA-N -1 0 303.330 3.600 20 0 DHADRM CC[C@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)(C)C ZINC000630197969 975156498 /nfs/dbraw/zinc/15/64/98/975156498.db2.gz BLFDRSLGRXISFM-CQSZACIVSA-N -1 0 317.429 3.732 20 0 DHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000630271520 975215530 /nfs/dbraw/zinc/21/55/30/975215530.db2.gz HERZPBSNDWYEAV-VYDXJSESSA-N -1 0 317.429 3.762 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)c1 ZINC000630274164 975218402 /nfs/dbraw/zinc/21/84/02/975218402.db2.gz LXBVVPBXJOLRDD-IXDOHACOSA-N -1 0 317.429 3.699 20 0 DHADRM CCc1ccc([C@@H]2CCCN(C(=O)CCCCC(=O)[O-])C2)cc1 ZINC000630294355 975235202 /nfs/dbraw/zinc/23/52/02/975235202.db2.gz MDDDSNCGKNXFAJ-QGZVFWFLSA-N -1 0 317.429 3.600 20 0 DHADRM Cc1cc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)oc1C(=O)[O-] ZINC000630307311 975242098 /nfs/dbraw/zinc/24/20/98/975242098.db2.gz BOIPOURSFHOBHB-LBPRGKRZSA-N -1 0 313.353 3.732 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630324944 975253046 /nfs/dbraw/zinc/25/30/46/975253046.db2.gz NTIRBVHYENQYHJ-SYJJWHGVSA-N -1 0 307.434 3.591 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000630327690 975254723 /nfs/dbraw/zinc/25/47/23/975254723.db2.gz REMDJJDINAVJIL-SHPPOPEUSA-N -1 0 301.386 3.640 20 0 DHADRM CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630423505 975264319 /nfs/dbraw/zinc/26/43/19/975264319.db2.gz FFBGINUQDKKIIP-DLBZAZTESA-N -1 0 324.380 3.539 20 0 DHADRM Cc1nn(C(C)C)cc1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630467651 975266244 /nfs/dbraw/zinc/26/62/44/975266244.db2.gz LIMNJCQVKHNXMO-DLBZAZTESA-N -1 0 313.401 3.573 20 0 DHADRM COc1cccc([C@H](C(=O)[O-])N2CCC[C@@H]2c2ccsc2)c1 ZINC000634691054 975271434 /nfs/dbraw/zinc/27/14/34/975271434.db2.gz ZBWJKXQPKAAFGZ-HZPDHXFCSA-N -1 0 317.410 3.720 20 0 DHADRM O=C(/C=C\c1ccccc1OC(F)F)Nc1cccc(O)c1F ZINC000255629386 1014248935 /nfs/dbraw/zinc/24/89/35/1014248935.db2.gz UXQXIPQODTWIKJ-HJWRWDBZSA-N -1 0 323.270 3.785 20 0 DHADRM CCc1nc([C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)cs1 ZINC000647446717 975360491 /nfs/dbraw/zinc/36/04/91/975360491.db2.gz KXPLOYKBTLKDFZ-ZETCQYMHSA-N -1 0 311.794 3.625 20 0 DHADRM COCC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000647447535 975360706 /nfs/dbraw/zinc/36/07/06/975360706.db2.gz KXTPYLUNKYMHHC-GFCCVEGCSA-N -1 0 324.764 3.524 20 0 DHADRM COc1cccc2c1CC[C@H]2Nc1ncc(C(=O)[O-])cc1Cl ZINC000647451721 975364300 /nfs/dbraw/zinc/36/43/00/975364300.db2.gz FSJOBZGKVRKRAX-CYBMUJFWSA-N -1 0 318.760 3.541 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@]1(C)CCc2ccccc21 ZINC000649247561 975387301 /nfs/dbraw/zinc/38/73/01/975387301.db2.gz ADHMUIRXVNSPMK-FQEVSTJZSA-N -1 0 323.392 3.844 20 0 DHADRM CSc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1C ZINC000649545264 975429394 /nfs/dbraw/zinc/42/93/94/975429394.db2.gz XDQHZHHCQWOQNA-GFCCVEGCSA-N -1 0 324.446 3.585 20 0 DHADRM Cc1cccc2sc(C(=O)NC3(CC(=O)[O-])CC3)c(Cl)c21 ZINC000652119652 975508215 /nfs/dbraw/zinc/50/82/15/975508215.db2.gz QEUQKHCIGODZPU-UHFFFAOYSA-N -1 0 323.801 3.600 20 0 DHADRM CC1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000653329743 975589918 /nfs/dbraw/zinc/58/99/18/975589918.db2.gz YSSCWKXYVAVAOF-CVEARBPZSA-N -1 0 315.413 3.776 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000653640739 975606229 /nfs/dbraw/zinc/60/62/29/975606229.db2.gz DULJLOFFZRMCJX-MRXNPFEDSA-N -1 0 317.429 3.602 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000655554741 975628120 /nfs/dbraw/zinc/62/81/20/975628120.db2.gz JMNJPLFJARTLPX-UHFFFAOYSA-N -1 0 319.401 3.982 20 0 DHADRM CC(C)c1nc(=NC[C@H]2CCC[C@H](C(F)(F)F)C2)s[n-]1 ZINC000530992553 1030115770 /nfs/dbraw/zinc/11/57/70/1030115770.db2.gz QRKSUISYGCIZDR-UWVGGRQHSA-N -1 0 307.385 3.864 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659118470 975714686 /nfs/dbraw/zinc/71/46/86/975714686.db2.gz GLTXBZRTRHWREI-UHFFFAOYSA-N -1 0 317.341 3.636 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000659125787 975725394 /nfs/dbraw/zinc/72/53/94/975725394.db2.gz DNWDURBFSRZLAB-SHTZXODSSA-N -1 0 315.413 3.859 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(C2CCCC2)c1 ZINC000659125436 975725530 /nfs/dbraw/zinc/72/55/30/975725530.db2.gz AKKPCFJNMSTGGY-UHFFFAOYSA-N -1 0 303.402 3.717 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000659136895 975736965 /nfs/dbraw/zinc/73/69/65/975736965.db2.gz REKIRYHOZHGFGC-GOSISDBHSA-N -1 0 301.386 3.779 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000659146314 975745513 /nfs/dbraw/zinc/74/55/13/975745513.db2.gz MMRUVBGVYHOFOJ-CVEARBPZSA-N -1 0 311.381 3.518 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(C3CC3)cc2)c1 ZINC000659148283 975749568 /nfs/dbraw/zinc/74/95/68/975749568.db2.gz WYPQTYIFMBQSLI-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM CC(C)Oc1c(NC(=O)N(C)[C@H](C)C(C)C)cccc1C(=O)[O-] ZINC001591741535 975755941 /nfs/dbraw/zinc/75/59/41/975755941.db2.gz KYCMPHTWHJWMNW-GFCCVEGCSA-N -1 0 322.405 3.680 20 0 DHADRM CC1=CC[C@](C)(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CC1 ZINC000659160933 975760626 /nfs/dbraw/zinc/76/06/26/975760626.db2.gz PCTGOIQTQSCUHZ-UGSOOPFHSA-N -1 0 301.386 3.950 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659192853 975791978 /nfs/dbraw/zinc/79/19/78/975791978.db2.gz GWOAXBYXIINBIN-YHUYYLMFSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659194129 975794336 /nfs/dbraw/zinc/79/43/36/975794336.db2.gz JRPJISDCROBNOP-NRKLIOEPSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)Oc1ccc(-c2cnn(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001591756853 975829415 /nfs/dbraw/zinc/82/94/15/975829415.db2.gz MYAUPNNNOSRMGI-UHFFFAOYSA-N -1 0 314.263 3.512 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC001591760844 975841480 /nfs/dbraw/zinc/84/14/80/975841480.db2.gz BCUNMIALSKYZOM-JSGCOSHPSA-N -1 0 319.401 3.937 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001591771834 975900544 /nfs/dbraw/zinc/90/05/44/975900544.db2.gz KZBFXODAXVYHQL-RHSMWYFYSA-N -1 0 321.417 3.788 20 0 DHADRM CC(C)Oc1ccc([C@@H](C)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591772558 975905115 /nfs/dbraw/zinc/90/51/15/975905115.db2.gz AZMNCJAZDMOHCT-GFCCVEGCSA-N -1 0 300.358 3.740 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C(=O)[O-])c1 ZINC001591780713 975947056 /nfs/dbraw/zinc/94/70/56/975947056.db2.gz NEYUHBAUZYTMNZ-XQQFMLRXSA-N -1 0 317.385 3.547 20 0 DHADRM CC(C)Oc1ccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001591788428 975972722 /nfs/dbraw/zinc/97/27/22/975972722.db2.gz IKFBRRMBBGYTQB-KRWDZBQOSA-N -1 0 317.360 3.721 20 0 DHADRM O=C([O-])c1csc(NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000668283559 975984675 /nfs/dbraw/zinc/98/46/75/975984675.db2.gz SOPBBRNMQFTASW-UHFFFAOYSA-N -1 0 301.367 3.505 20 0 DHADRM COc1cccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1F ZINC000669477591 976006911 /nfs/dbraw/zinc/00/69/11/976006911.db2.gz GKBWJJZDQYMHBT-UHFFFAOYSA-N -1 0 317.360 3.809 20 0 DHADRM CC(C)Oc1cccc(CNc2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001591796452 976009145 /nfs/dbraw/zinc/00/91/45/976009145.db2.gz KTLJJDCAVTVDKU-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC000682437332 976073976 /nfs/dbraw/zinc/07/39/76/976073976.db2.gz IWHHXHDSXKGCDW-WBVHZDCISA-N -1 0 315.413 3.881 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000683302183 976083283 /nfs/dbraw/zinc/08/32/83/976083283.db2.gz QPMHSVJGMWUVGH-HNNXBMFYSA-N -1 0 303.402 3.550 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001591829043 976089569 /nfs/dbraw/zinc/08/95/69/976089569.db2.gz APNASFDGVNNSHE-RYUDHWBXSA-N -1 0 322.430 3.562 20 0 DHADRM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001591853518 976142620 /nfs/dbraw/zinc/14/26/20/976142620.db2.gz GNMAFSRCVSXNID-ZWKOTPCHSA-N -1 0 323.392 3.826 20 0 DHADRM CC(C)c1[nH]c(CN2CC(C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC001591911239 976329432 /nfs/dbraw/zinc/32/94/32/976329432.db2.gz RVILROIDSQRAJH-UHFFFAOYSA-N -1 0 312.413 3.610 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001591935027 976449540 /nfs/dbraw/zinc/44/95/40/976449540.db2.gz QWTMKQJGIJRJJH-ZWNOBZJWSA-N -1 0 324.808 3.648 20 0 DHADRM CC(C)c1cc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nc(C(C)C)n1 ZINC001591935187 976451244 /nfs/dbraw/zinc/45/12/44/976451244.db2.gz XOGGCIJNLPSZKM-KDOFPFPSSA-N -1 0 317.433 3.557 20 0 DHADRM CC(C)c1cc(N[C@@H]2CCC[C@H]2CC(=O)[O-])nc(C(C)C)n1 ZINC001591936312 976458169 /nfs/dbraw/zinc/45/81/69/976458169.db2.gz TVUSUJXHXCGWMA-QWHCGFSZSA-N -1 0 305.422 3.779 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC001591943271 976476923 /nfs/dbraw/zinc/47/69/23/976476923.db2.gz RDPBTWMWYHTDDZ-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc(-c2noc(Cc3cccc(C(=O)[O-])c3)n2)cn1 ZINC001591943910 976486367 /nfs/dbraw/zinc/48/63/67/976486367.db2.gz YZYKEGIXSNYRPN-UHFFFAOYSA-N -1 0 323.352 3.544 20 0 DHADRM CC(C)c1ccc([C@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949611 976508354 /nfs/dbraw/zinc/50/83/54/976508354.db2.gz XLRGUHMOLMWHKM-IXDOHACOSA-N -1 0 317.429 3.734 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001591957524 976530110 /nfs/dbraw/zinc/53/01/10/976530110.db2.gz MOFGFGWCUWFOOF-PKNBQFBNSA-N -1 0 313.353 3.777 20 0 DHADRM CC(C)c1ccc(NC(=O)CCc2cscn2)c(C(=O)[O-])c1 ZINC001591963150 976553432 /nfs/dbraw/zinc/55/34/32/976553432.db2.gz WWLIOAUQBHSGJK-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CC(C)c1ccc(NC(=O)N2CC(C(C)C)C2)c(C(=O)[O-])c1 ZINC001591965286 976557023 /nfs/dbraw/zinc/55/70/23/976557023.db2.gz JOPZSQIOKPBVIN-UHFFFAOYSA-N -1 0 304.390 3.628 20 0 DHADRM CC(C)c1ccc(NCC(=O)Nc2ccccc2)c(C(=O)[O-])c1 ZINC001591967434 976562921 /nfs/dbraw/zinc/56/29/21/976562921.db2.gz AKGNBYYKFKTFEK-UHFFFAOYSA-N -1 0 312.369 3.559 20 0 DHADRM CC(C)c1cccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)n1 ZINC001591983182 976602819 /nfs/dbraw/zinc/60/28/19/976602819.db2.gz LDXKBHPZBYHZCI-UHFFFAOYSA-N -1 0 318.417 3.503 20 0 DHADRM CC(C)c1[nH]c(CNc2cncc(C(C)C)c2)cc1C(=O)[O-] ZINC001592002382 976650690 /nfs/dbraw/zinc/65/06/90/976650690.db2.gz DOEUFAWKZQGMCY-UHFFFAOYSA-N -1 0 301.390 3.967 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592002748 976654443 /nfs/dbraw/zinc/65/44/43/976654443.db2.gz GEDJGDHREFHONH-UHFFFAOYSA-N -1 0 309.268 3.632 20 0 DHADRM CC(C)c1cncc(NCc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC001592002826 976655351 /nfs/dbraw/zinc/65/53/51/976655351.db2.gz PCBAFYIAOULGKS-UHFFFAOYSA-N -1 0 309.369 3.997 20 0 DHADRM CC(C)c1ccoc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001592003542 976661413 /nfs/dbraw/zinc/66/14/13/976661413.db2.gz WANFGOYMFNYUAR-HNNXBMFYSA-N -1 0 315.369 3.739 20 0 DHADRM CC(C)c1csc(SCC(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001592008834 976682698 /nfs/dbraw/zinc/68/26/98/976682698.db2.gz UHZJAVOBRNWNJM-UHFFFAOYSA-N -1 0 311.384 3.533 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@@H]2CC=CCC2)sc1C(=O)[O-] ZINC001592021718 976715773 /nfs/dbraw/zinc/71/57/73/976715773.db2.gz HFGWOBAPVVJIRU-SNVBAGLBSA-N -1 0 308.403 3.650 20 0 DHADRM CC(C)c1nnc(CSc2cc(Cl)ccc2C(=O)[O-])[nH]1 ZINC001592021968 976717214 /nfs/dbraw/zinc/71/72/14/976717214.db2.gz JNVOFIQFDPGDPZ-UHFFFAOYSA-N -1 0 311.794 3.572 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)nc1C(=O)[O-] ZINC001592108177 976891570 /nfs/dbraw/zinc/89/15/70/976891570.db2.gz LTCZPZCQCHINGH-VFZGTOFNSA-N -1 0 310.419 3.585 20 0 DHADRM CC(C)n1ncc2ccc(NCc3cccc(C(=O)[O-])c3)cc21 ZINC001592163846 977060217 /nfs/dbraw/zinc/06/02/17/977060217.db2.gz XPZWGHOATKVQOL-UHFFFAOYSA-N -1 0 309.369 3.928 20 0 DHADRM C[C@H](C1CC1)n1nccc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592181801 977112751 /nfs/dbraw/zinc/11/27/51/977112751.db2.gz RLCICRANYNWAAE-SNVBAGLBSA-N -1 0 319.792 3.818 20 0 DHADRM C[C@@H](CC(=O)Nc1c(F)cccc1C(=O)[O-])c1ccccc1F ZINC001592262084 977506158 /nfs/dbraw/zinc/50/61/58/977506158.db2.gz OATRHZIAAYLNAL-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccco1 ZINC001592262109 977506711 /nfs/dbraw/zinc/50/67/11/977506711.db2.gz OPWHFUXEZHGZQA-VIFPVBQESA-N -1 0 307.733 3.764 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001592267528 977514630 /nfs/dbraw/zinc/51/46/30/977514630.db2.gz DLVYUNCYVVJMRP-LBPRGKRZSA-N -1 0 322.364 3.998 20 0 DHADRM Cc1[nH]nc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)c1[O-] ZINC000614656366 1014431524 /nfs/dbraw/zinc/43/15/24/1014431524.db2.gz BPVKODHUYDRPEX-AWEZNQCLSA-N -1 0 315.417 3.592 20 0 DHADRM CC(C)c1cccc2c1N(C(=O)C[C@H](C)CC(=O)[O-])CCC2 ZINC001592374611 977901912 /nfs/dbraw/zinc/90/19/12/977901912.db2.gz CGEYEJHUOUFWLO-ZDUSSCGKSA-N -1 0 303.402 3.590 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)CCCc1ccccc1 ZINC001592385442 977929099 /nfs/dbraw/zinc/92/90/99/977929099.db2.gz VIQYVFPCLZASNS-OAHLLOKOSA-N -1 0 319.445 3.653 20 0 DHADRM CC(C)[C@@H](OC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001592394263 977943320 /nfs/dbraw/zinc/94/33/20/977943320.db2.gz AWYKFNPUIGOPHR-MGPLVRAMSA-N -1 0 314.328 3.706 20 0 DHADRM C[C@@H](CC(=O)[O-])SCCc1ccc(OC(F)(F)F)cc1 ZINC001592422401 978035901 /nfs/dbraw/zinc/03/59/01/978035901.db2.gz NYNYHGBJZSHCDN-VIFPVBQESA-N -1 0 308.321 3.724 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC001592423196 978039166 /nfs/dbraw/zinc/03/91/66/978039166.db2.gz BHDQYRWIVCMSLR-WRWORJQWSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC001592433080 978064311 /nfs/dbraw/zinc/06/43/11/978064311.db2.gz BNKDXKRFZJJDSX-STQMWFEESA-N -1 0 313.353 3.578 20 0 DHADRM C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592444235 978101697 /nfs/dbraw/zinc/10/16/97/978101697.db2.gz LZPVMQKUBCUDJX-JTQLQIEISA-N -1 0 317.389 3.812 20 0 DHADRM C[C@H](CCC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001592471236 978230790 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C[C@@H](CCNC(=O)Nc1cccc(C(=O)[O-])c1)CC(C)(C)C ZINC001592521150 978372380 /nfs/dbraw/zinc/37/23/80/978372380.db2.gz LKMRMUMOLHXKHG-LBPRGKRZSA-N -1 0 306.406 3.969 20 0 DHADRM CCOc1cccc([C@H](C)NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000063341187 1014500218 /nfs/dbraw/zinc/50/02/18/1014500218.db2.gz GHOKPADYZOSTCL-JTQLQIEISA-N -1 0 321.323 3.560 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccccc1Cl ZINC000761649017 978713645 /nfs/dbraw/zinc/71/36/45/978713645.db2.gz IPYYIIZJCCYRNY-PXUDHTSWSA-N -1 0 309.793 3.503 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000761910827 978715908 /nfs/dbraw/zinc/71/59/08/978715908.db2.gz QMMOKMDPEFUVPA-FMIVXFBMSA-N -1 0 323.820 3.893 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000766739481 978725066 /nfs/dbraw/zinc/72/50/66/978725066.db2.gz VEWQKFBGLMQMQC-QXMHVHEDSA-N -1 0 318.332 3.585 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1(C)C ZINC000766846114 978727079 /nfs/dbraw/zinc/72/70/79/978727079.db2.gz 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ZINC001595047959 979261990 /nfs/dbraw/zinc/26/19/90/979261990.db2.gz QLZQDVLXMOZADV-UHFFFAOYSA-N -1 0 319.612 3.571 20 0 DHADRM C[C@H]1CCc2ccccc2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000647142051 1014562638 /nfs/dbraw/zinc/56/26/38/1014562638.db2.gz PKHZXUVVWXWFLH-ZDUSSCGKSA-N -1 0 318.376 3.510 20 0 DHADRM O=C([O-])C1CCC(Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000840994644 979292427 /nfs/dbraw/zinc/29/24/27/979292427.db2.gz MJQLUOHXYTXXOK-UHFFFAOYSA-N -1 0 319.792 3.581 20 0 DHADRM CC(C)c1ccc([C@H](NC(=O)CCCC(=O)[O-])C(C)C)cc1 ZINC000844245032 979390407 /nfs/dbraw/zinc/39/04/07/979390407.db2.gz GDKOLAQIEYINCC-GOSISDBHSA-N -1 0 305.418 3.878 20 0 DHADRM CCC(CC)[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001595109996 979450417 /nfs/dbraw/zinc/45/04/17/979450417.db2.gz QDDITDUXSOFAQZ-MRXNPFEDSA-N -1 0 314.385 3.620 20 0 DHADRM CCC(CC)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595121321 979489496 /nfs/dbraw/zinc/48/94/96/979489496.db2.gz LVSPWKLFIDAQOP-UHFFFAOYSA-N -1 0 310.419 3.564 20 0 DHADRM 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ZINC000901436122 980283367 /nfs/dbraw/zinc/28/33/67/980283367.db2.gz MXZVKNYCZCEMEQ-VOTSOKGWSA-N -1 0 321.442 3.629 20 0 DHADRM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1F ZINC001595277457 980306261 /nfs/dbraw/zinc/30/62/61/980306261.db2.gz VFEGRNIUCQFKMO-HZPDHXFCSA-N -1 0 323.314 3.971 20 0 DHADRM CC[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595281381 980333217 /nfs/dbraw/zinc/33/32/17/980333217.db2.gz NHQWLSIZCPLVTE-GWCFXTLKSA-N -1 0 306.337 3.622 20 0 DHADRM CC(C)c1ncc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000901561630 980382708 /nfs/dbraw/zinc/38/27/08/980382708.db2.gz QUPQESLTNILASN-UHFFFAOYSA-N -1 0 318.442 3.743 20 0 DHADRM C[C@H](CN(Cc1ncc(Cl)s1)Cc1ccccc1)C(=O)[O-] ZINC000901581903 980391624 /nfs/dbraw/zinc/39/16/24/980391624.db2.gz WPZFGKXLEFPSGL-LLVKDONJSA-N -1 0 324.833 3.519 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H](C)c1ccccn1 ZINC000901606308 980402493 /nfs/dbraw/zinc/40/24/93/980402493.db2.gz ALUPDHHGXTXZKQ-GFCCVEGCSA-N -1 0 300.358 3.740 20 0 DHADRM CC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)s1 ZINC001595306038 980454240 /nfs/dbraw/zinc/45/42/40/980454240.db2.gz QULSSHAYRSLMCA-ZETCQYMHSA-N -1 0 316.835 3.797 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cccc2c1CCOC2 ZINC000901721376 980464701 /nfs/dbraw/zinc/46/47/01/980464701.db2.gz GNDDXAPGCIZVBK-UHFFFAOYSA-N -1 0 311.381 3.686 20 0 DHADRM CCCCC[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000901723172 980465156 /nfs/dbraw/zinc/46/51/56/980465156.db2.gz TUKMQFGKLXMRIL-AWEZNQCLSA-N -1 0 318.442 3.933 20 0 DHADRM C[C@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)[C@H]1CC1(F)F ZINC000901774377 980504441 /nfs/dbraw/zinc/50/44/41/980504441.db2.gz HZMSEVKCJJTEOO-SMDDNHRTSA-N -1 0 324.371 3.831 20 0 DHADRM CC[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(C(=O)[O-])cc1 ZINC001595322668 980515387 /nfs/dbraw/zinc/51/53/87/980515387.db2.gz GMGXAYGXHBGXON-OAHLLOKOSA-N -1 0 301.390 3.900 20 0 DHADRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001595322914 980518141 /nfs/dbraw/zinc/51/81/41/980518141.db2.gz OAXUTXZXVIYJLL-LBPRGKRZSA-N -1 0 305.765 3.700 20 0 DHADRM CSCc1cnc(CNc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000901817073 980537444 /nfs/dbraw/zinc/53/74/44/980537444.db2.gz XLSWHIOLAHDHKR-JTQLQIEISA-N -1 0 322.455 3.806 20 0 DHADRM CCn1nc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c2ccccc21 ZINC000901817528 980537562 /nfs/dbraw/zinc/53/75/62/980537562.db2.gz SKIWNGJCEFTRJE-CYBMUJFWSA-N -1 0 323.396 3.856 20 0 DHADRM Cc1ccc([C@H](NCc2scnc2C2CC2)C(=O)[O-])cc1C ZINC000901843493 980564514 /nfs/dbraw/zinc/56/45/14/980564514.db2.gz IUMJAMPDWYNLKG-INIZCTEOSA-N -1 0 316.426 3.553 20 0 DHADRM CC[C@H](OC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595336132 980591910 /nfs/dbraw/zinc/59/19/10/980591910.db2.gz HAIPEWKQPRIJQP-LAUAKBEESA-N -1 0 316.275 3.515 20 0 DHADRM CC[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccccc1 ZINC001595337797 980602040 /nfs/dbraw/zinc/60/20/40/980602040.db2.gz SYAIBKFKFRIKQT-ABSDTBQOSA-N -1 0 324.376 3.939 20 0 DHADRM CC[C@@H](OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595339069 980612094 /nfs/dbraw/zinc/61/20/94/980612094.db2.gz ZTHVFOUEUPLLBV-JOYOIKCWSA-N -1 0 318.291 3.605 20 0 DHADRM CC[C@@H](OC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(C)cc1 ZINC001595343771 980625580 /nfs/dbraw/zinc/62/55/80/980625580.db2.gz FKTAAGRJKNGETP-CQSZACIVSA-N -1 0 316.353 3.832 20 0 DHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)cc1F ZINC001595346237 980635087 /nfs/dbraw/zinc/63/50/87/980635087.db2.gz ZLAMXJDAIGQCDA-ZDUSSCGKSA-N -1 0 324.279 3.873 20 0 DHADRM CC(C)[C@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CS1 ZINC000901948414 980645383 /nfs/dbraw/zinc/64/53/83/980645383.db2.gz WVUGLUPVFCYSCA-CAOSSQGBSA-N -1 0 305.443 3.817 20 0 DHADRM CC[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)[C@@H](C)C(=O)[O-] ZINC001595352129 980665110 /nfs/dbraw/zinc/66/51/10/980665110.db2.gz SLCZPETXCSRFRS-OTYXRUKQSA-N -1 0 321.760 3.544 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1Cc1ncc(-c2ccccc2)s1 ZINC000902033005 980704980 /nfs/dbraw/zinc/70/49/80/980704980.db2.gz CESTZMDRQBSNIE-CQSZACIVSA-N -1 0 316.426 3.639 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595359111 980738291 /nfs/dbraw/zinc/73/82/91/980738291.db2.gz XOZQDZSUWMVEQT-UONOGXRCSA-N -1 0 323.458 3.563 20 0 DHADRM CC(C)(CCNc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000902130030 980749297 /nfs/dbraw/zinc/74/92/97/980749297.db2.gz NPAKKNPWHREUGE-UHFFFAOYSA-N -1 0 305.296 3.541 20 0 DHADRM CCc1oc(CN[C@@H](C)c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC000902134266 980751646 /nfs/dbraw/zinc/75/16/46/980751646.db2.gz JYBQQOUUXVECRT-JTQLQIEISA-N -1 0 321.348 3.539 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(N2CCCC2)c(F)c1 ZINC000902154223 980760755 /nfs/dbraw/zinc/76/07/55/980760755.db2.gz SCJIWUUBDOZDCY-UHFFFAOYSA-N -1 0 318.348 3.638 20 0 DHADRM CC(C)OCc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902183621 980772564 /nfs/dbraw/zinc/77/25/64/980772564.db2.gz XYNHZXKDIZQXPJ-YSVLISHTSA-N -1 0 305.418 3.913 20 0 DHADRM CC[C@H](c1nnc(SCC2(C(=O)[O-])CC2)o1)c1ccccc1 ZINC001595364044 980789216 /nfs/dbraw/zinc/78/92/16/980789216.db2.gz NIBDOMUYAZBTJH-LBPRGKRZSA-N -1 0 318.398 3.568 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595364670 980795744 /nfs/dbraw/zinc/79/57/44/980795744.db2.gz VAVPFBRUIMYHBT-IXDOHACOSA-N -1 0 317.429 3.733 20 0 DHADRM CCC1(C)CCN(C(=O)Nc2cc(C(=O)[O-])sc2C)CC1 ZINC001595371263 980849426 /nfs/dbraw/zinc/84/94/26/980849426.db2.gz VLXWVWWUYBDHOG-UHFFFAOYSA-N -1 0 310.419 3.799 20 0 DHADRM CCc1oc(CN(CC2CCC2)CC(F)(F)F)cc1C(=O)[O-] ZINC000902395210 980868627 /nfs/dbraw/zinc/86/86/27/980868627.db2.gz MHKJIALNUYSPJH-UHFFFAOYSA-N -1 0 319.323 3.705 20 0 DHADRM CCc1oc(CNc2ccc(SC)cc2OC)cc1C(=O)[O-] ZINC000902419063 980878204 /nfs/dbraw/zinc/87/82/04/980878204.db2.gz IYPGLYATQSSSLA-UHFFFAOYSA-N -1 0 321.398 3.883 20 0 DHADRM CC(C)(NCc1ccoc1C(=O)[O-])c1cccc(Cl)c1F ZINC000902440725 980888199 /nfs/dbraw/zinc/88/81/99/980888199.db2.gz LYWWPJBARFLHFI-UHFFFAOYSA-N -1 0 311.740 3.795 20 0 DHADRM CCC1(CC)CCC(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001595374826 980888795 /nfs/dbraw/zinc/88/87/95/980888795.db2.gz XDQLOBHLLLVWIQ-VURMDHGXSA-N -1 0 319.401 3.856 20 0 DHADRM CCC1(CC)Oc2ccc(N[C@@H]3CC[C@H](C(=O)[O-])C3)cc2O1 ZINC001595376882 980909317 /nfs/dbraw/zinc/90/93/17/980909317.db2.gz QEYUMLLIKOLLLX-NWDGAFQWSA-N -1 0 305.374 3.639 20 0 DHADRM Cc1oc(CNCc2ccc(C(F)(F)F)s2)cc1C(=O)[O-] ZINC000902503628 980912090 /nfs/dbraw/zinc/91/20/90/980912090.db2.gz WXQQWHJQIXMJOY-UHFFFAOYSA-N -1 0 319.304 3.656 20 0 DHADRM CSc1ccc(NC2CC(CF)(CF)C2)cc1C(=O)[O-] ZINC000902568730 980937561 /nfs/dbraw/zinc/93/75/61/980937561.db2.gz ALGWSUVIMKTUNV-UHFFFAOYSA-N -1 0 301.358 3.606 20 0 DHADRM CCC1CCC(NC(=O)C2CCC(C)(C)CC2)(C(=O)[O-])CC1 ZINC001595420586 981036772 /nfs/dbraw/zinc/03/67/72/981036772.db2.gz BWRIOHIEZSJIOQ-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H]1CCC[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)CC1 ZINC001595434882 981060757 /nfs/dbraw/zinc/06/07/57/981060757.db2.gz 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ZINC001595442330 981082307 /nfs/dbraw/zinc/08/23/07/981082307.db2.gz ZBOJOQMUTMHBQB-IDHHARJASA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595443920 981084166 /nfs/dbraw/zinc/08/41/66/981084166.db2.gz FEEHZAQPDCWQHX-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM CSc1ccc(NC(=O)[C@@H](C)Cc2ccco2)cc1C(=O)[O-] ZINC000905043959 981086684 /nfs/dbraw/zinc/08/66/84/981086684.db2.gz LZYPNKJODJPWBZ-JTQLQIEISA-N -1 0 319.382 3.517 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595445319 981092731 /nfs/dbraw/zinc/09/27/31/981092731.db2.gz YIVBEAOIYFWNDC-WFASDCNBSA-N -1 0 304.390 3.817 20 0 DHADRM CCCc1nc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC000905393023 981114118 /nfs/dbraw/zinc/11/41/18/981114118.db2.gz ZTAZYHCAXZTNRZ-MRXNPFEDSA-N -1 0 318.442 3.628 20 0 DHADRM CSc1ccc(NC2CC3(C2)COC(C)(C)C3)cc1C(=O)[O-] ZINC000905726839 981125509 /nfs/dbraw/zinc/12/55/09/981125509.db2.gz HOTBYRHNHASCCA-UHFFFAOYSA-N -1 0 321.442 3.866 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595457270 981128836 /nfs/dbraw/zinc/12/88/36/981128836.db2.gz UFSXNXXBTHEJJH-IINYFYTJSA-N -1 0 315.373 3.566 20 0 DHADRM Cc1ccc(NC(=O)c2cccn2C2CCCC2)cc1C(=O)[O-] ZINC000191033410 1014708803 /nfs/dbraw/zinc/70/88/03/1014708803.db2.gz UFRVUMLUHHREHC-UHFFFAOYSA-N -1 0 312.369 3.862 20 0 DHADRM C[C@H]1[C@H](Nc2cccc(-c3ccon3)c2)CC[C@H]1CC(=O)[O-] ZINC000905769356 981146890 /nfs/dbraw/zinc/14/68/90/981146890.db2.gz GLIFVYOALDKVAU-TYNCELHUSA-N -1 0 300.358 3.643 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCC2(C)CC2)cc1 ZINC000907605985 981199479 /nfs/dbraw/zinc/19/94/79/981199479.db2.gz ZORSUVGCSQBRJI-AWEZNQCLSA-N -1 0 321.442 3.621 20 0 DHADRM CC1(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000907610006 981199842 /nfs/dbraw/zinc/19/98/42/981199842.db2.gz JZGCMDRYMZFVES-ZDUSSCGKSA-N -1 0 309.793 3.552 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907720370 981210869 /nfs/dbraw/zinc/21/08/69/981210869.db2.gz 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981305217 /nfs/dbraw/zinc/30/52/17/981305217.db2.gz LFDNWORDTOPCFW-UHFFFAOYSA-N -1 0 315.369 3.588 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)c1cccs1 ZINC000908639349 981331158 /nfs/dbraw/zinc/33/11/58/981331158.db2.gz XEQMZLMPFVNIIT-CHWSQXEVSA-N -1 0 307.415 3.517 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000908687858 981339900 /nfs/dbraw/zinc/33/99/00/981339900.db2.gz ORCXSCAIQXQQRP-UHFFFAOYSA-N -1 0 322.748 3.539 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C(=O)[O-])on1 ZINC000908687082 981339921 /nfs/dbraw/zinc/33/99/21/981339921.db2.gz GOTWQZYDBVGOLW-UHFFFAOYSA-N -1 0 316.357 3.872 20 0 DHADRM CC(C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908698951 981341021 /nfs/dbraw/zinc/34/10/21/981341021.db2.gz DZPGRVZKRRGIAY-UHFFFAOYSA-N -1 0 301.386 3.784 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(C)s1 ZINC000908721469 981347655 /nfs/dbraw/zinc/34/76/55/981347655.db2.gz YCDKABXNBVUQJK-LBWKMTJJSA-N -1 0 321.442 3.577 20 0 DHADRM CC[C@@H](C)Sc1ccc(NC(=O)[C@H](CC)C(=O)[O-])c(C)c1 ZINC000908765681 981357861 /nfs/dbraw/zinc/35/78/61/981357861.db2.gz KAFBEJOQTFLHLN-YPMHNXCESA-N -1 0 309.431 3.935 20 0 DHADRM CCC[C@H](C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595536315 981382441 /nfs/dbraw/zinc/38/24/41/981382441.db2.gz WOEDLHRVPUNGBJ-LPHOPBHVSA-N -1 0 319.445 3.608 20 0 DHADRM CCCC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595538127 981390318 /nfs/dbraw/zinc/39/03/18/981390318.db2.gz FVLMZVHYNAZURA-OAHLLOKOSA-N -1 0 309.381 3.592 20 0 DHADRM CSCC[C@@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000933188041 1014734952 /nfs/dbraw/zinc/73/49/52/1014734952.db2.gz JUTVNBJLYSFVJC-MRVPVSSYSA-N -1 0 322.257 3.913 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595566677 981463314 /nfs/dbraw/zinc/46/33/14/981463314.db2.gz SHGKRZQZLQAUHN-JYHOJLIDSA-N -1 0 315.413 3.726 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595567049 981465525 /nfs/dbraw/zinc/46/55/25/981465525.db2.gz VWVKSVXUVKXJRI-LVWOJMJRSA-N -1 0 311.381 3.828 20 0 DHADRM CCC[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595572133 981483504 /nfs/dbraw/zinc/48/35/04/981483504.db2.gz YFZPMKHPWYTHQH-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000909402448 981484479 /nfs/dbraw/zinc/48/44/79/981484479.db2.gz ABXZJZKRZYIKQY-CDEQTRAXSA-N -1 0 321.442 3.659 20 0 DHADRM Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(Cl)c1C ZINC000909438610 981493289 /nfs/dbraw/zinc/49/32/89/981493289.db2.gz WFSNRFCSHSUAKY-UHFFFAOYSA-N -1 0 323.820 3.674 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595577964 981497461 /nfs/dbraw/zinc/49/74/61/981497461.db2.gz CVVKHFXPVPORKL-MRVPVSSYSA-N -1 0 316.760 3.830 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909480993 981505832 /nfs/dbraw/zinc/50/58/32/981505832.db2.gz FCHKTPBMWNCDRS-VMEIHUARSA-N -1 0 315.413 3.502 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595580027 981513264 /nfs/dbraw/zinc/51/32/64/981513264.db2.gz XKJKZZWHKZFRGG-ZDUSSCGKSA-N -1 0 309.406 3.707 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000909541766 981537393 /nfs/dbraw/zinc/53/73/93/981537393.db2.gz NIEUFJZQFYXYHX-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM CCCC(CCC)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595586921 981537433 /nfs/dbraw/zinc/53/74/33/981537433.db2.gz VGGBDBFWNCYCNQ-MRXNPFEDSA-N -1 0 305.418 3.762 20 0 DHADRM CCCC(CCC)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595586952 981537443 /nfs/dbraw/zinc/53/74/43/981537443.db2.gz WJTPKUREGKSPCO-PKNBQFBNSA-N -1 0 320.385 3.915 20 0 DHADRM CCC[C@H](CC)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595587184 981539456 /nfs/dbraw/zinc/53/94/56/981539456.db2.gz DQFJNAHUTZQXOO-AEGPPILISA-N -1 0 304.390 3.575 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595587302 981540552 /nfs/dbraw/zinc/54/05/52/981540552.db2.gz IIMRHWCXIOXNJI-HNNXBMFYSA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001595599059 981570770 /nfs/dbraw/zinc/57/07/70/981570770.db2.gz SHLXUYFLDSETPW-QGZVFWFLSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@H](O)CCCSCc1ccc(C(=O)[O-])c(F)c1 ZINC001595607385 981600547 /nfs/dbraw/zinc/60/05/47/981600547.db2.gz FMELXFLPCIVCTF-LBPRGKRZSA-N -1 0 300.395 3.698 20 0 DHADRM CC(C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)=C1CCC1 ZINC000909785646 981619985 /nfs/dbraw/zinc/61/99/85/981619985.db2.gz BSDGAZDSJRHUEK-GOSISDBHSA-N -1 0 323.392 3.972 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC001594743100 981620986 /nfs/dbraw/zinc/62/09/86/981620986.db2.gz KJGLTZWYQACVSO-JKSUJKDBSA-N -1 0 303.402 3.550 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001594743483 981623874 /nfs/dbraw/zinc/62/38/74/981623874.db2.gz SNQXCETVRMRZFP-ZIAGYGMSSA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001594746707 981634479 /nfs/dbraw/zinc/63/44/79/981634479.db2.gz AGMUNYOCQIUXPZ-JKSUJKDBSA-N -1 0 319.445 3.908 20 0 DHADRM CCCC1(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])CC1 ZINC001595617084 981648605 /nfs/dbraw/zinc/64/86/05/981648605.db2.gz PJPOUDCTOYFLPE-UHFFFAOYSA-N -1 0 310.419 3.765 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cn1 ZINC000909837440 981658178 /nfs/dbraw/zinc/65/81/78/981658178.db2.gz VQORROGFDVZSTK-LBPRGKRZSA-N -1 0 312.369 3.645 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001595619761 981681559 /nfs/dbraw/zinc/68/15/59/981681559.db2.gz NTYIPNHAOPIAHX-IUCAKERBSA-N -1 0 302.827 3.900 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595620141 981685822 /nfs/dbraw/zinc/68/58/22/981685822.db2.gz XQTUVNQHAOWAIM-SMDDNHRTSA-N -1 0 319.405 3.521 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001594760134 981690181 /nfs/dbraw/zinc/69/01/81/981690181.db2.gz VVIMNTYIDOSMRW-SNVBAGLBSA-N -1 0 313.394 3.766 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595621273 981698142 /nfs/dbraw/zinc/69/81/42/981698142.db2.gz FVACMXSCTNIATE-YHNBSYBMSA-N -1 0 324.465 3.536 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595622160 981707451 /nfs/dbraw/zinc/70/74/51/981707451.db2.gz RSBQQPKPCNCLQI-BZUAXINKSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H]1CCCN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595622247 981708119 /nfs/dbraw/zinc/70/81/19/981708119.db2.gz KIFYIJVCPLLMFO-GFCCVEGCSA-N -1 0 315.373 3.663 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001595622816 981714393 /nfs/dbraw/zinc/71/43/93/981714393.db2.gz ZTQRJJABIRWTJB-GFCCVEGCSA-N -1 0 322.380 3.876 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1 ZINC001594768463 981731051 /nfs/dbraw/zinc/73/10/51/981731051.db2.gz YWTUUCQCYOJUNQ-UVWJIMLCSA-N -1 0 301.386 3.629 20 0 DHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001594775467 981758946 /nfs/dbraw/zinc/75/89/46/981758946.db2.gz RXQGBGIAXCLWCT-KGLIPLIRSA-N -1 0 322.357 3.750 20 0 DHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001594775833 981761831 /nfs/dbraw/zinc/76/18/31/981761831.db2.gz XKLSUKPQEUEWEQ-JKSUJKDBSA-N -1 0 316.328 3.688 20 0 DHADRM CCCC[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C(C)C ZINC001595627530 981773342 /nfs/dbraw/zinc/77/33/42/981773342.db2.gz IWGWFDPSEXCCSX-GFCCVEGCSA-N -1 0 317.389 3.662 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001594782414 981790359 /nfs/dbraw/zinc/79/03/59/981790359.db2.gz PCBAJZBBSUGYPP-QMTMVMCOSA-N -1 0 321.461 3.717 20 0 DHADRM CCCC[C@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001595628819 981791822 /nfs/dbraw/zinc/79/18/22/981791822.db2.gz NJTJWQMKLFHLNU-GXTWGEPZSA-N -1 0 324.490 3.733 20 0 DHADRM C[C@@H]1CCC[C@@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910243646 981812661 /nfs/dbraw/zinc/81/26/61/981812661.db2.gz OKTATGBOHOGNPC-OMGLFLRBSA-N -1 0 321.461 3.744 20 0 DHADRM CCCC[C@@H](CC)C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595631810 981844914 /nfs/dbraw/zinc/84/49/14/981844914.db2.gz FGHHJLYTCVHWOP-GFCCVEGCSA-N -1 0 307.390 3.573 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595631981 981847032 /nfs/dbraw/zinc/84/70/32/981847032.db2.gz MOYSCYLLUVSQFB-ZDUSSCGKSA-N -1 0 321.421 3.993 20 0 DHADRM CCCC[C@H](CC)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC ZINC001595632183 981851140 /nfs/dbraw/zinc/85/11/40/981851140.db2.gz BUXBIRGFHSARMI-ZDUSSCGKSA-N -1 0 322.449 3.920 20 0 DHADRM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595632391 981854545 /nfs/dbraw/zinc/85/45/45/981854545.db2.gz GGJYLDOAZOWVNJ-ZDUSSCGKSA-N -1 0 308.422 3.782 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595632492 981855769 /nfs/dbraw/zinc/85/57/69/981855769.db2.gz ZUAARPUJACJZGQ-GDBMZVCRSA-N -1 0 305.418 3.843 20 0 DHADRM COC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC000910300252 981857212 /nfs/dbraw/zinc/85/72/12/981857212.db2.gz WHTUAFSVBBASIM-AWEZNQCLSA-N -1 0 320.776 3.541 20 0 DHADRM CCCC[C@@H](CC)CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595632660 981858920 /nfs/dbraw/zinc/85/89/20/981858920.db2.gz MHVPIHJKONUELK-GFCCVEGCSA-N -1 0 324.396 3.540 20 0 DHADRM CCCC[C@H](CCC)NC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595633669 981874869 /nfs/dbraw/zinc/87/48/69/981874869.db2.gz SHPANQIBLZNVQM-LBPRGKRZSA-N -1 0 307.394 3.569 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594795001 981875567 /nfs/dbraw/zinc/87/55/67/981875567.db2.gz WUOHBMFSMGSVGI-GFCCVEGCSA-N -1 0 306.406 3.650 20 0 DHADRM CCCC[C@@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595634388 981886337 /nfs/dbraw/zinc/88/63/37/981886337.db2.gz NIQPRRUVWLJJHF-WMLDXEAASA-N -1 0 319.445 3.748 20 0 DHADRM CCCC[C@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595634389 981886984 /nfs/dbraw/zinc/88/69/84/981886984.db2.gz NIQPRRUVWLJJHF-YOEHRIQHSA-N -1 0 319.445 3.748 20 0 DHADRM CCC(C)(C)CC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594808272 981915766 /nfs/dbraw/zinc/91/57/66/981915766.db2.gz LRVLDSXQWSCFTF-BFUOFWGJSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)C1CCC1 ZINC001595636329 981915799 /nfs/dbraw/zinc/91/57/99/981915799.db2.gz MVDWEXOTDMRCMW-CQSZACIVSA-N -1 0 320.433 3.672 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001594815536 981941990 /nfs/dbraw/zinc/94/19/90/981941990.db2.gz CUHUAFCOSOECRN-LJQANCHMSA-N -1 0 317.429 3.701 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001594815777 981946152 /nfs/dbraw/zinc/94/61/52/981946152.db2.gz NXHQZTLWHAYHIT-UHFFFAOYSA-N -1 0 301.342 3.918 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001594821204 981968689 /nfs/dbraw/zinc/96/86/89/981968689.db2.gz QNRNCMFYHYTDHR-IFXJQAMLSA-N -1 0 319.445 3.748 20 0 DHADRM CCCC[C@H](Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC001595642414 981972127 /nfs/dbraw/zinc/97/21/27/981972127.db2.gz PWAXXFMFCZOQLS-ZLIFDBKOSA-N -1 0 318.417 3.503 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc2ccccc2o1 ZINC000910508527 981973511 /nfs/dbraw/zinc/97/35/11/981973511.db2.gz AIPHFNFUHSPPTF-UHFFFAOYSA-N -1 0 317.385 3.642 20 0 DHADRM C[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000910543377 981988453 /nfs/dbraw/zinc/98/84/53/981988453.db2.gz CCFSGJCIDSRPTC-LIRRHRJNSA-N -1 0 323.392 3.537 20 0 DHADRM CCCCN(C(=O)C[C@H](C)CC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000910623776 982032300 /nfs/dbraw/zinc/03/23/00/982032300.db2.gz LFHMKGCITMPDLH-GXTWGEPZSA-N -1 0 309.406 3.779 20 0 DHADRM CCCC[C@H](OC(=O)c1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC001595652555 982035077 /nfs/dbraw/zinc/03/50/77/982035077.db2.gz VKENADZTQAKDPS-JTQLQIEISA-N -1 0 323.370 3.512 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@](C)(CC)C(=O)[O-])CC1 ZINC001594836123 982036462 /nfs/dbraw/zinc/03/64/62/982036462.db2.gz QXUOPANDDCPCGG-VZMXKUQRSA-N -1 0 323.477 3.989 20 0 DHADRM CC(C)c1sc(NC(=O)CCc2ccccc2)nc1C(=O)[O-] ZINC000910696438 982067856 /nfs/dbraw/zinc/06/78/56/982067856.db2.gz FBFNVTGAYBVXEF-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CC(C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)=C1CCCC1 ZINC000910701725 982071867 /nfs/dbraw/zinc/07/18/67/982071867.db2.gz YBEQDEAWRYHXQB-UHFFFAOYSA-N -1 0 308.403 3.794 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595660904 982073877 /nfs/dbraw/zinc/07/38/77/982073877.db2.gz OGGIGZMQJXJXLA-CZUORRHYSA-N -1 0 303.402 3.782 20 0 DHADRM CCCCCC(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001595663273 982082919 /nfs/dbraw/zinc/08/29/19/982082919.db2.gz SZMOJXUZLKUTLO-MRXNPFEDSA-N -1 0 319.445 3.886 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595668901 982111164 /nfs/dbraw/zinc/11/11/64/982111164.db2.gz DJOJNNXUGBMTCY-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001595669992 982116434 /nfs/dbraw/zinc/11/64/34/982116434.db2.gz LMTHSZLZOOIERO-PBHICJAKSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595670331 982118202 /nfs/dbraw/zinc/11/82/02/982118202.db2.gz OVIHPKBRHSRMEF-CABCVRRESA-N -1 0 311.466 3.942 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595672871 982138204 /nfs/dbraw/zinc/13/82/04/982138204.db2.gz UZHLLPOUHPKBGT-WBVHZDCISA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)[O-] ZINC001595673272 982140820 /nfs/dbraw/zinc/14/08/20/982140820.db2.gz VAPCGEJIZSIZCO-ZDUSSCGKSA-N -1 0 313.781 3.600 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594861155 982144382 /nfs/dbraw/zinc/14/43/82/982144382.db2.gz ASARFAKJUKAFSX-RDRICISKSA-N -1 0 303.402 3.701 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC001595680585 982155726 /nfs/dbraw/zinc/15/57/26/982155726.db2.gz BFCYYEASLWPUGI-QMMMGPOBSA-N -1 0 323.336 3.530 20 0 DHADRM CSc1ccc(NC(=O)[C@H](C)C2CCCC2)cc1C(=O)[O-] ZINC000910946358 982171682 /nfs/dbraw/zinc/17/16/82/982171682.db2.gz MSWHTHVAOVIKPU-SNVBAGLBSA-N -1 0 307.415 3.872 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)CC ZINC000910948136 982172615 /nfs/dbraw/zinc/17/26/15/982172615.db2.gz VBOUGCCPWOMSCH-XJYLAGHESA-N -1 0 305.399 3.958 20 0 DHADRM CSc1ccc(NC(=O)C(C)=C2CCCC2)cc1C(=O)[O-] ZINC000910948364 982173483 /nfs/dbraw/zinc/17/34/83/982173483.db2.gz ZBEBNVAREJXLJW-UHFFFAOYSA-N -1 0 305.399 3.936 20 0 DHADRM CCCCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001595689382 982185592 /nfs/dbraw/zinc/18/55/92/982185592.db2.gz AURMXKBPPBYTAB-HNNXBMFYSA-N -1 0 305.418 3.706 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595690330 982194550 /nfs/dbraw/zinc/19/45/50/982194550.db2.gz NKWGAXCMGIFONI-OWCLPIDISA-N -1 0 309.450 3.839 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873572 982194805 /nfs/dbraw/zinc/19/48/05/982194805.db2.gz NUCAACNBVSVETE-ZBEGNZNMSA-N -1 0 320.820 3.610 20 0 DHADRM CCCCCCC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595695175 982217147 /nfs/dbraw/zinc/21/71/47/982217147.db2.gz QAJPXVFNKAGOBH-NSHDSACASA-N -1 0 311.353 3.587 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595695330 982218072 /nfs/dbraw/zinc/21/80/72/982218072.db2.gz SAZBLFYHSBLCBJ-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM Cc1cc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc(C(=O)[O-])c1 ZINC000911066984 982223968 /nfs/dbraw/zinc/22/39/68/982223968.db2.gz IQXBLBLYDSWIFL-CZUORRHYSA-N -1 0 323.339 3.847 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594880823 982231232 /nfs/dbraw/zinc/23/12/32/982231232.db2.gz FIMPZAWIETXFFP-RYUDHWBXSA-N -1 0 307.390 3.793 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595698648 982253160 /nfs/dbraw/zinc/25/31/60/982253160.db2.gz TYKKANVPBKMOIN-GFCCVEGCSA-N -1 0 309.406 3.899 20 0 DHADRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)c1cccc(C)c1C ZINC000911221120 982290352 /nfs/dbraw/zinc/29/03/52/982290352.db2.gz NPWIQLWMBGIVKX-UHFFFAOYSA-N -1 0 301.342 3.570 20 0 DHADRM CCCCCOc1ccc(Oc2ccc(C(=O)[O-])nn2)cc1 ZINC001595720456 982331030 /nfs/dbraw/zinc/33/10/30/982331030.db2.gz AROXZBJEUGBPCQ-UHFFFAOYSA-N -1 0 302.330 3.536 20 0 DHADRM CCCCCOc1ccc(Oc2ccnc(C(=O)[O-])n2)cc1 ZINC001595722138 982339351 /nfs/dbraw/zinc/33/93/51/982339351.db2.gz VGMIJGMAUDCNOY-UHFFFAOYSA-N -1 0 302.330 3.536 20 0 DHADRM CCCCCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001595724001 982343376 /nfs/dbraw/zinc/34/33/76/982343376.db2.gz JAPDLPCDDQCYNR-UHFFFAOYSA-N -1 0 305.399 3.972 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C)o1 ZINC001595732186 982367986 /nfs/dbraw/zinc/36/79/86/982367986.db2.gz SDSGVPYVUMPOQS-SOUVJXGZSA-N -1 0 321.417 3.779 20 0 DHADRM CCCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC001595732352 982369031 /nfs/dbraw/zinc/36/90/31/982369031.db2.gz VQYGFIWLXFHKNV-UHFFFAOYSA-N -1 0 307.390 3.861 20 0 DHADRM CCCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1cccnc1 ZINC001595735860 982381049 /nfs/dbraw/zinc/38/10/49/982381049.db2.gz ORAZHQHGRAEUBW-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@H](CC)C(=O)[O-] ZINC001595749142 982420938 /nfs/dbraw/zinc/42/09/38/982420938.db2.gz JNHXCRYQPZSMDU-ZDUSSCGKSA-N -1 0 311.809 3.580 20 0 DHADRM CCCCN(Cc1cc(C(=O)[O-])no1)[C@H](C)c1ccc(C)o1 ZINC001595749323 982422400 /nfs/dbraw/zinc/42/24/00/982422400.db2.gz XOWAWDZWDVRXKU-GFCCVEGCSA-N -1 0 306.362 3.638 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911453096 982438231 /nfs/dbraw/zinc/43/82/31/982438231.db2.gz ZOBLBEZSSTXBHN-SWLSCSKDSA-N -1 0 323.820 3.895 20 0 DHADRM CCCCOCCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001595771830 982522843 /nfs/dbraw/zinc/52/28/43/982522843.db2.gz JEAGBMNRQQPPQJ-UHFFFAOYSA-N -1 0 323.336 3.707 20 0 DHADRM CCCCOc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cn1 ZINC001595780496 982548890 /nfs/dbraw/zinc/54/88/90/982548890.db2.gz CKXWYMTVORAPJD-VNHYZAJKSA-N -1 0 306.406 3.562 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001594930456 982552496 /nfs/dbraw/zinc/55/24/96/982552496.db2.gz XGRPBRILKJWMFG-GZMMTYOYSA-N -1 0 321.427 3.535 20 0 DHADRM CCCCOc1ccc(NCc2cc(C(=O)[O-])cs2)cn1 ZINC001595781169 982560131 /nfs/dbraw/zinc/56/01/31/982560131.db2.gz ZDCOYEPLFCAYNQ-UHFFFAOYSA-N -1 0 306.387 3.632 20 0 DHADRM CCCCS[C@H](C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595789074 982587610 /nfs/dbraw/zinc/58/76/10/982587610.db2.gz MJJOQKYWVQQLRK-SNVBAGLBSA-N -1 0 314.378 3.660 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001594937050 982597585 /nfs/dbraw/zinc/59/75/85/982597585.db2.gz QRPDJTKLRIBHHL-WVTZPBJPSA-N -1 0 311.466 3.845 20 0 DHADRM CCCCc1ccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001595796242 982601037 /nfs/dbraw/zinc/60/10/37/982601037.db2.gz KZFAXBGYUYKRDC-BENRWUELSA-N -1 0 314.337 3.939 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001594938687 982608444 /nfs/dbraw/zinc/60/84/44/982608444.db2.gz OKHZWHLLDDOIFF-DCIWPNQLSA-N -1 0 317.429 3.631 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001594939967 982612017 /nfs/dbraw/zinc/61/20/17/982612017.db2.gz WMWAHBDICXSUKS-SQWLQELKSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001594940151 982612802 /nfs/dbraw/zinc/61/28/02/982612802.db2.gz XXKKGHCTKYWOOA-LXZKKBNFSA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001594945337 982632777 /nfs/dbraw/zinc/63/27/77/982632777.db2.gz BFBBPGBZDWUDDL-SWLSCSKDSA-N -1 0 323.458 3.806 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1F ZINC000914728865 982653226 /nfs/dbraw/zinc/65/32/26/982653226.db2.gz DIJXLNDFTOSWLK-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM CCCN(C(=O)C[C@@H](c1ccccc1)C(C)C)[C@H](C)C(=O)[O-] ZINC001595815739 982666682 /nfs/dbraw/zinc/66/66/82/982666682.db2.gz BRLCGXLDGVJVRZ-GDBMZVCRSA-N -1 0 305.418 3.528 20 0 DHADRM CCCN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC001595816296 982671061 /nfs/dbraw/zinc/67/10/61/982671061.db2.gz HOMKMRISJHSZGY-CFMCSPIPSA-N -1 0 309.450 3.861 20 0 DHADRM CCCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595817019 982677275 /nfs/dbraw/zinc/67/72/75/982677275.db2.gz OEGCMCAKBKPOQJ-LQYUOIDQSA-N -1 0 317.429 3.925 20 0 DHADRM CCCN(C(=O)/C=C(\CC)c1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC001595817027 982677507 /nfs/dbraw/zinc/67/75/07/982677507.db2.gz OFTSUHTWEOKTEV-RVROTUBLSA-N -1 0 323.820 3.845 20 0 DHADRM CCCN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC001595817629 982682235 /nfs/dbraw/zinc/68/22/35/982682235.db2.gz WATSKLLYVVSAQP-NFOMZHRRSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@H](C)CCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001594958163 982695480 /nfs/dbraw/zinc/69/54/80/982695480.db2.gz RYRJPLRHMGYPJB-ZDUSSCGKSA-N -1 0 307.390 3.695 20 0 DHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccn1 ZINC000923093791 982718751 /nfs/dbraw/zinc/71/87/51/982718751.db2.gz XHPHFCZGLNBQJX-LLVKDONJSA-N -1 0 318.398 3.672 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(C)CCC(F)(F)CC1 ZINC000923094058 982719043 /nfs/dbraw/zinc/71/90/43/982719043.db2.gz XRUSPYOGPMDBPV-UHFFFAOYSA-N -1 0 317.357 3.909 20 0 DHADRM CCCCSCCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923094612 982719403 /nfs/dbraw/zinc/71/94/03/982719403.db2.gz NUULLVOXVLWPMP-UHFFFAOYSA-N -1 0 301.433 3.617 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001594972291 982743066 /nfs/dbraw/zinc/74/30/66/982743066.db2.gz TWSJWLVUUAPPRX-TZIYXEQSSA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@H](C)N(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594983853 982789554 /nfs/dbraw/zinc/78/95/54/982789554.db2.gz QSDUEKDOGUBOGG-TUKIKUTGSA-N -1 0 304.390 3.527 20 0 DHADRM CCCN(CCOc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001595884162 982905777 /nfs/dbraw/zinc/90/57/77/982905777.db2.gz MUWTZPPXEAAROF-UHFFFAOYSA-N -1 0 317.360 3.819 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001595888949 982919268 /nfs/dbraw/zinc/91/92/68/982919268.db2.gz UPTPGRHCNWHOCW-UHFFFAOYSA-N -1 0 315.369 3.647 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1F ZINC001595890738 982921041 /nfs/dbraw/zinc/92/10/41/982921041.db2.gz BKMFWJMEHXJERO-UHFFFAOYSA-N -1 0 318.392 3.583 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(/C=C/C(=O)[O-])o2)n1 ZINC001595007610 982925574 /nfs/dbraw/zinc/92/55/74/982925574.db2.gz DGSURBFUIJXDTM-BZYZDCJZSA-N -1 0 316.357 3.562 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c1 ZINC001595009296 982933593 /nfs/dbraw/zinc/93/35/93/982933593.db2.gz VMMHPDNQWAISKN-AVVLXZEZSA-N -1 0 303.402 3.775 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001595010210 982939381 /nfs/dbraw/zinc/93/93/81/982939381.db2.gz ONGHOKVYPRIJBG-ABAIWWIYSA-N -1 0 317.410 3.817 20 0 DHADRM CC[C@@H](C)c1ccc(OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595010577 982941747 /nfs/dbraw/zinc/94/17/47/982941747.db2.gz UJMGCSYOZPEXSO-BPLDGKMQSA-N -1 0 304.386 3.997 20 0 DHADRM CC[C@H](C)c1ccc(OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595010578 982941797 /nfs/dbraw/zinc/94/17/97/982941797.db2.gz UJMGCSYOZPEXSO-QEJZJMRPSA-N -1 0 304.386 3.997 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001595013403 982947851 /nfs/dbraw/zinc/94/78/51/982947851.db2.gz IHSHMSFGHJOFTL-SJCJKPOMSA-N -1 0 304.390 3.529 20 0 DHADRM CCCOc1ccc(NCc2cc(C)c(C(=O)[O-])[nH]2)cc1C ZINC001595966143 983171212 /nfs/dbraw/zinc/17/12/12/983171212.db2.gz FCXYUQRXJITESI-UHFFFAOYSA-N -1 0 302.374 3.731 20 0 DHADRM CCCOc1cccc(COc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001595969535 983191661 /nfs/dbraw/zinc/19/16/61/983191661.db2.gz OBGYNUGCOCLAMA-UHFFFAOYSA-N -1 0 316.353 3.761 20 0 DHADRM CCCSc1cccc(NC(=O)c2ccsc2C(=O)[O-])n1 ZINC001595987774 983240802 /nfs/dbraw/zinc/24/08/02/983240802.db2.gz QGCFICZSQLPKFJ-UHFFFAOYSA-N -1 0 322.411 3.596 20 0 DHADRM CCCc1c(C(=O)N[C@@H](CC)[C@@H]2CC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037020 983316926 /nfs/dbraw/zinc/31/69/26/983316926.db2.gz YKFNDRJOCAOLGY-STQMWFEESA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1cc(=O)[nH]c(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001596058638 983365832 /nfs/dbraw/zinc/36/58/32/983365832.db2.gz NURBRDUICALOMV-VIFPVBQESA-N -1 0 322.386 3.588 20 0 DHADRM CCCc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001596060741 983369957 /nfs/dbraw/zinc/36/99/57/983369957.db2.gz RXUYTIWXRLJLGT-QGZVFWFLSA-N -1 0 317.429 3.650 20 0 DHADRM CCCc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001596069341 983384335 /nfs/dbraw/zinc/38/43/35/983384335.db2.gz XHQKMNDPABIWRN-UHFFFAOYSA-N -1 0 302.301 3.696 20 0 DHADRM CCCc1nc(CNc2ccc(F)c(C(=O)[O-])c2C)cs1 ZINC001596090211 983415592 /nfs/dbraw/zinc/41/55/92/983415592.db2.gz XJOPBACGEHJAFD-UHFFFAOYSA-N -1 0 308.378 3.853 20 0 DHADRM Cn1ncc(C2CCC2)c1/C=C\c1nc2ccc(C(=O)[O-])cc2o1 ZINC000656613600 1014946368 /nfs/dbraw/zinc/94/63/68/1014946368.db2.gz MOCDOQYMSQPPRX-FPLPWBNLSA-N -1 0 323.352 3.697 20 0 DHADRM CCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)C(C)(C)C(=O)[O-] ZINC001596132000 983480643 /nfs/dbraw/zinc/48/06/43/983480643.db2.gz 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ILVCWONSLUVCRU-CYBMUJFWSA-N -1 0 303.337 3.513 20 0 DHADRM CC(C)(C)[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001589721165 987885683 /nfs/dbraw/zinc/88/56/83/987885683.db2.gz YCWPQVJSNGQNSJ-AWEZNQCLSA-N -1 0 322.405 3.857 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589728187 987927822 /nfs/dbraw/zinc/92/78/22/987927822.db2.gz FXHNXFGEESSXPS-PAZCZOEESA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)C1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001589728340 987930357 /nfs/dbraw/zinc/93/03/57/987930357.db2.gz IZAZPNJXXBZLAM-SSHXOBKSSA-N -1 0 323.477 3.846 20 0 DHADRM CC(C)(C)[C@@H]1CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001589735331 987985931 /nfs/dbraw/zinc/98/59/31/987985931.db2.gz RTZRPDJSRCTDKO-YRGRVCCFSA-N -1 0 309.356 3.602 20 0 DHADRM CCc1cc(Sc2nc(C)cc(C(=O)[O-])n2)c(C)cc1OC ZINC001597489051 988005761 /nfs/dbraw/zinc/00/57/61/988005761.db2.gz WBTSEBYRKIFMDO-UHFFFAOYSA-N -1 0 318.398 3.514 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001589742097 988016786 /nfs/dbraw/zinc/01/67/86/988016786.db2.gz MGODTKLOZUFVGG-UHFFFAOYSA-N -1 0 309.381 3.854 20 0 DHADRM Cc1oc([C@@H](C)N2CCc3c([nH]c4ccccc43)C2)cc1C(=O)[O-] ZINC000581830068 1015356816 /nfs/dbraw/zinc/35/68/16/1015356816.db2.gz XYJCYEJXIJYIQB-LLVKDONJSA-N -1 0 324.380 3.887 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-] ZINC001589759867 988078567 /nfs/dbraw/zinc/07/85/67/988078567.db2.gz FDJWDSFGXVYWNO-LBPRGKRZSA-N -1 0 314.328 3.599 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)[C@@H]1CCSc2ccccc21)C(=O)[O-] ZINC001589759925 988078717 /nfs/dbraw/zinc/07/87/17/988078717.db2.gz HDDJTORYZGMOLH-OLZOCXBDSA-N -1 0 322.426 3.699 20 0 DHADRM CSCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599795365 988087910 /nfs/dbraw/zinc/08/79/10/988087910.db2.gz MWVZAOIKJNLGKI-LBPRGKRZSA-N -1 0 324.446 3.607 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC001589761611 988088849 /nfs/dbraw/zinc/08/88/49/988088849.db2.gz DPGXIMSTEGQPES-JTQLQIEISA-N -1 0 302.729 3.525 20 0 DHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccccc3C(=O)[O-])C2)cc1 ZINC001597516264 988127404 /nfs/dbraw/zinc/12/74/04/988127404.db2.gz CBEYSQZWMPGLCT-INIZCTEOSA-N -1 0 323.392 3.577 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C(=O)[O-])no2)o1 ZINC001597516847 988129957 /nfs/dbraw/zinc/12/99/57/988129957.db2.gz GRGYXSIGZQXRTC-ABAIWWIYSA-N -1 0 318.373 3.501 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1F ZINC000474443161 1015364399 /nfs/dbraw/zinc/36/43/99/1015364399.db2.gz BYULFIHVDOPZJN-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CCc1ccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1 ZINC001597519935 988143997 /nfs/dbraw/zinc/14/39/97/988143997.db2.gz IAZCIBJZIQSYKF-NTUHNPAUSA-N -1 0 311.312 3.579 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589780232 988149547 /nfs/dbraw/zinc/14/95/47/988149547.db2.gz ULXBLUYJKCELAV-KBPBESRZSA-N -1 0 311.466 3.798 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2c(s1)CCC2 ZINC000474451540 1015367431 /nfs/dbraw/zinc/36/74/31/1015367431.db2.gz YMYBEWBCMHJZDI-UHFFFAOYSA-N -1 0 311.765 3.987 20 0 DHADRM CCc1ccc(F)cc1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001597530807 988188793 /nfs/dbraw/zinc/18/87/93/988188793.db2.gz PQRJLNGPKPQZNB-UHFFFAOYSA-N -1 0 323.408 3.597 20 0 DHADRM CSCCc1ccc(N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599801937 988191129 /nfs/dbraw/zinc/19/11/29/988191129.db2.gz MHCACRJGCYEAKP-AWEZNQCLSA-N -1 0 307.440 3.891 20 0 DHADRM CCc1ccc(N(CC(C)(C)C)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001597532503 988193039 /nfs/dbraw/zinc/19/30/39/988193039.db2.gz GKRCYOLCMMPQHD-GASCZTMLSA-N -1 0 317.429 3.739 20 0 DHADRM CSCc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001599802241 988196027 /nfs/dbraw/zinc/19/60/27/988196027.db2.gz HQISGXXEAPLYGJ-UHFFFAOYSA-N -1 0 321.423 3.870 20 0 DHADRM CCc1ccc(NC(=O)C[C@@H]2CCCC2(F)F)c(C(=O)[O-])c1 ZINC001597542488 988230620 /nfs/dbraw/zinc/23/06/20/988230620.db2.gz DFLYZMGOBGEWNS-NSHDSACASA-N -1 0 311.328 3.711 20 0 DHADRM CC(C)(C)NC(=O)CSc1cc2ccccc2cc1C(=O)[O-] ZINC001589823758 988283652 /nfs/dbraw/zinc/28/36/52/988283652.db2.gz RYNVIADEOFHFEQ-UHFFFAOYSA-N -1 0 317.410 3.545 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2cc(C)sc2C(=O)[O-])o1 ZINC001599809031 988301188 /nfs/dbraw/zinc/30/11/88/988301188.db2.gz XIYVEAIWCFKWFF-UHFFFAOYSA-N -1 0 311.384 3.630 20 0 DHADRM CCc1ccc([C@@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597562563 988308069 /nfs/dbraw/zinc/30/80/69/988308069.db2.gz IBEXHAZQSOZGSZ-CYBMUJFWSA-N -1 0 311.381 3.747 20 0 DHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001597562755 988309873 /nfs/dbraw/zinc/30/98/73/988309873.db2.gz OTDDORIFFMJYOO-SNVBAGLBSA-N -1 0 318.398 3.891 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC(C)=C(C)C)cc1 ZINC001599811223 988337050 /nfs/dbraw/zinc/33/70/50/988337050.db2.gz SUFNEUBHIOHDPE-OAHLLOKOSA-N -1 0 321.442 3.787 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCO[C@H](C)CC(C)C ZINC001597573508 988357046 /nfs/dbraw/zinc/35/70/46/988357046.db2.gz SCPBRTANPRFERO-CYBMUJFWSA-N -1 0 321.417 3.727 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599812387 988359809 /nfs/dbraw/zinc/35/98/09/988359809.db2.gz VMKABCTVGXGIDF-ZDUSSCGKSA-N -1 0 322.407 3.761 20 0 DHADRM CSc1ccc(NC(=O)[C@@H](C)c2ccc(C)o2)cc1C(=O)[O-] ZINC001599815823 988421765 /nfs/dbraw/zinc/42/17/65/988421765.db2.gz IEUFRWBFJTUFPX-JTQLQIEISA-N -1 0 319.382 3.750 20 0 DHADRM CSc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)cc1C(=O)[O-] ZINC001599815909 988423212 /nfs/dbraw/zinc/42/32/12/988423212.db2.gz IREBNUBVXHHUEK-GHMZBOCLSA-N -1 0 307.415 3.872 20 0 DHADRM CCc1cccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001597592926 988423519 /nfs/dbraw/zinc/42/35/19/988423519.db2.gz NXYKZRIYQLLMNQ-UHFFFAOYSA-N -1 0 311.381 3.543 20 0 DHADRM CSc1ccc(NC(=O)[C@@H]2CCCC2(C)C)cc1C(=O)[O-] ZINC001599816068 988426739 /nfs/dbraw/zinc/42/67/39/988426739.db2.gz OWGVSSWIPGYHGO-LBPRGKRZSA-N -1 0 307.415 3.872 20 0 DHADRM CSc1ccc(NC(=O)N[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC001599818442 988469180 /nfs/dbraw/zinc/46/91/80/988469180.db2.gz SSNBPTUKWRBUFJ-JTQLQIEISA-N -1 0 310.419 3.663 20 0 DHADRM CSc1ccc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599818516 988470379 /nfs/dbraw/zinc/47/03/79/988470379.db2.gz INXZIPGKKYVTRH-GHMZBOCLSA-N -1 0 322.430 3.664 20 0 DHADRM CSc1ccc(NC(=O)NCCC(C)(C)C)cc1C(=O)[O-] ZINC001599819142 988481569 /nfs/dbraw/zinc/48/15/69/988481569.db2.gz QRYSWBOOVSVRSR-UHFFFAOYSA-N -1 0 310.419 3.664 20 0 DHADRM CCc1ccccc1CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597609112 988491280 /nfs/dbraw/zinc/49/12/80/988491280.db2.gz KMUMWYRPBQBPAC-UHFFFAOYSA-N -1 0 318.756 3.749 20 0 DHADRM CCc1ccccc1CC(=O)Nc1c(CC)cccc1C(=O)[O-] ZINC001597609899 988502587 /nfs/dbraw/zinc/50/25/87/988502587.db2.gz ZNJMDYSOUSFKDR-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001597626043 988575293 /nfs/dbraw/zinc/57/52/93/988575293.db2.gz IKBZKBFLHZFJPH-UHFFFAOYSA-N -1 0 314.366 3.742 20 0 DHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599830816 988671101 /nfs/dbraw/zinc/67/11/01/988671101.db2.gz HDDRFVQDUULGHJ-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001599831107 988675867 /nfs/dbraw/zinc/67/58/67/988675867.db2.gz KKESAEWEMUIVFU-AWEZNQCLSA-N -1 0 319.445 3.628 20 0 DHADRM CCc1nc([C@@H](C)NCc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC001597656258 988707954 /nfs/dbraw/zinc/70/79/54/988707954.db2.gz PALQIUKAQWQAJP-LLVKDONJSA-N -1 0 304.415 3.563 20 0 DHADRM CCc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013249239 1015415748 /nfs/dbraw/zinc/41/57/48/1015415748.db2.gz HFEVAWVNBWMEGT-LJQANCHMSA-N -1 0 311.381 3.620 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC001599835660 988737784 /nfs/dbraw/zinc/73/77/84/988737784.db2.gz YHSXXXGYWCDVHL-VIFPVBQESA-N -1 0 318.291 3.547 20 0 DHADRM Cc1cc(F)ccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000013251685 1015415914 /nfs/dbraw/zinc/41/59/14/1015415914.db2.gz RYLTWEPKQUEEPI-GOSISDBHSA-N -1 0 315.344 3.505 20 0 DHADRM CCc1nc(C)cn1Cc1c2ccccc2sc1C(=O)[O-] ZINC001597663813 988745847 /nfs/dbraw/zinc/74/58/47/988745847.db2.gz UOGVFAZBOYKLTE-UHFFFAOYSA-N -1 0 300.383 3.715 20 0 DHADRM CCc1nc(NC(=O)/C=C(/C)c2cccs2)sc1C(=O)[O-] ZINC001597678761 988800913 /nfs/dbraw/zinc/80/09/13/988800913.db2.gz WMNAAQDJLQJUSX-FPLPWBNLSA-N -1 0 322.411 3.507 20 0 DHADRM C[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccs1 ZINC001599840221 988813629 /nfs/dbraw/zinc/81/36/29/988813629.db2.gz YUUNHYHJEKSINT-GFCCVEGCSA-N -1 0 324.446 3.534 20 0 DHADRM C[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cc2ccccc2o1 ZINC001599840698 988822563 /nfs/dbraw/zinc/82/25/63/988822563.db2.gz LQPGDIHYYNHCMP-GFCCVEGCSA-N -1 0 323.348 3.551 20 0 DHADRM Cc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000013253759 1015425287 /nfs/dbraw/zinc/42/52/87/1015425287.db2.gz RDDKUUOWDIJIMU-GOSISDBHSA-N -1 0 315.344 3.505 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCCc2cc(F)ccc21 ZINC001597766175 989208280 /nfs/dbraw/zinc/20/82/80/989208280.db2.gz GEQGOQLRUNEFBV-UHFFFAOYSA-N -1 0 303.333 3.632 20 0 DHADRM CCc1oc(CN2CCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC001597798310 989364475 /nfs/dbraw/zinc/36/44/75/989364475.db2.gz ACOUEDNECHFJGB-UHFFFAOYSA-N -1 0 321.760 3.593 20 0 DHADRM CCc1oc(CNc2ccc(Cl)c(N(C)C)c2)cc1C(=O)[O-] ZINC001597804475 989406336 /nfs/dbraw/zinc/40/63/36/989406336.db2.gz CRGUZHLIHXVLNP-UHFFFAOYSA-N -1 0 322.792 3.872 20 0 DHADRM CCc1oc(CNc2ccccc2OC(F)F)cc1C(=O)[O-] ZINC001597805251 989411830 /nfs/dbraw/zinc/41/18/30/989411830.db2.gz ZMIBBVVQWIYHBD-UHFFFAOYSA-N -1 0 311.284 3.754 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001590423037 989971859 /nfs/dbraw/zinc/97/18/59/989971859.db2.gz YOCYVWDKVVWGRP-QWHCGFSZSA-N -1 0 319.401 3.693 20 0 DHADRM CC(C)(C)SCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001590429388 989980504 /nfs/dbraw/zinc/98/05/04/989980504.db2.gz FXEWTLAEPZTPSP-UHFFFAOYSA-N -1 0 319.785 3.648 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001590435592 989998616 /nfs/dbraw/zinc/99/86/16/989998616.db2.gz SOGBSJAVOCEAFZ-NXEZZACHSA-N -1 0 307.415 3.556 20 0 DHADRM CN(C(=O)/C(F)=C\C1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597991178 990090722 /nfs/dbraw/zinc/09/07/22/990090722.db2.gz CUGKXWGQSFSPCB-ASNKMWSDSA-N -1 0 319.376 3.704 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001590492967 990093983 /nfs/dbraw/zinc/09/39/83/990093983.db2.gz HUAHTAQCAYBIOL-PKNBQFBNSA-N -1 0 314.337 3.894 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001590506132 990122416 /nfs/dbraw/zinc/12/24/16/990122416.db2.gz RYOPLVZCUSKXLU-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM CC(C)(C)n1cc(CSCc2cccc(C(=O)[O-])c2)cn1 ZINC001590593757 990249383 /nfs/dbraw/zinc/24/93/83/990249383.db2.gz QOAYZKFHJTTZMY-UHFFFAOYSA-N -1 0 304.415 3.770 20 0 DHADRM O=C(CSc1nccc2ccccc21)[N-]OCc1ccccc1 ZINC000178276413 1015549038 /nfs/dbraw/zinc/54/90/38/1015549038.db2.gz NZIKKHZHKQOWNM-UHFFFAOYSA-N -1 0 324.405 3.575 20 0 DHADRM CC(C)(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)C1CC1 ZINC001590616732 990293836 /nfs/dbraw/zinc/29/38/36/990293836.db2.gz LNJNNOZHCPQFGD-UHFFFAOYSA-N -1 0 323.820 3.580 20 0 DHADRM CC(C)(CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C1CCCCC1 ZINC001590621990 990305859 /nfs/dbraw/zinc/30/58/59/990305859.db2.gz ZJBVZQDJRQPTRF-XOUADPBQSA-N -1 0 321.461 3.599 20 0 DHADRM CC(C)(CC(=O)[O-])C(=O)OCc1ccc(-c2ccsc2)cc1 ZINC001590625837 990311791 /nfs/dbraw/zinc/31/17/91/990311791.db2.gz YWAQCJMPYYSAEG-UHFFFAOYSA-N -1 0 318.394 3.959 20 0 DHADRM CN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CCCC1 ZINC001598056035 990313257 /nfs/dbraw/zinc/31/32/57/990313257.db2.gz AHRKJWZGBHWREU-UHFFFAOYSA-N -1 0 314.744 3.584 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590649289 990337759 /nfs/dbraw/zinc/33/77/59/990337759.db2.gz WRXJCBVNVAIVOF-UHFFFAOYSA-N -1 0 324.682 3.922 20 0 DHADRM CC(C)(CCC(=O)OC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001590665012 990366006 /nfs/dbraw/zinc/36/60/06/990366006.db2.gz YURYFISUTRWAIF-UHFFFAOYSA-N -1 0 304.386 3.541 20 0 DHADRM CN(C(=O)c1ccc(C2CCCC2)cc1)C1(C(=O)[O-])CCCC1 ZINC001598082666 990401195 /nfs/dbraw/zinc/40/11/95/990401195.db2.gz BITAQLKORZXXKY-UHFFFAOYSA-N -1 0 315.413 3.814 20 0 DHADRM CC(C)(NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC001590840661 990708102 /nfs/dbraw/zinc/70/81/02/990708102.db2.gz URZNINXRSKOVRL-UHFFFAOYSA-N -1 0 321.392 3.602 20 0 DHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC001590855518 990740337 /nfs/dbraw/zinc/74/03/37/990740337.db2.gz CFEAAPQFPYGGQP-UHFFFAOYSA-N -1 0 322.361 3.642 20 0 DHADRM COc1cc(Nc2ccc(Cl)nc2Cl)cc(C(=O)[O-])c1 ZINC001213585741 1015585366 /nfs/dbraw/zinc/58/53/66/1015585366.db2.gz ZWYZGLMWKLJXHN-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM CC(C)=C(C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001590912988 990893897 /nfs/dbraw/zinc/89/38/97/990893897.db2.gz UEQGBLMMQGBNRH-DJJJIMSYSA-N -1 0 315.413 3.726 20 0 DHADRM Cc1ccc(O[C@H](C)CNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001126563976 1015601995 /nfs/dbraw/zinc/60/19/95/1015601995.db2.gz CECBCVDAYUHKSQ-GFCCVEGCSA-N -1 0 319.788 3.551 20 0 DHADRM CC(C)[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001590969556 991097114 /nfs/dbraw/zinc/09/71/14/991097114.db2.gz FSTRWIPODFFGGK-CQSZACIVSA-N -1 0 305.418 3.955 20 0 DHADRM COc1cccc2ncnc(Nc3cccc([C@H](C)C(=O)[O-])c3)c21 ZINC001599693682 991112871 /nfs/dbraw/zinc/11/28/71/991112871.db2.gz SIFCAQSDBZGZMY-NSHDSACASA-N -1 0 323.352 3.570 20 0 DHADRM COc1ccccc1[C@H](C)SCc1nc(C(=O)[O-])cs1 ZINC001599699444 991196398 /nfs/dbraw/zinc/19/63/98/991196398.db2.gz YOTIJXRFDVZKMM-VIFPVBQESA-N -1 0 309.412 3.844 20 0 DHADRM CC(C)[C@H](F)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001590995617 991220190 /nfs/dbraw/zinc/22/01/90/991220190.db2.gz CFBMWJUVLHXBGW-JTQLQIEISA-N -1 0 308.136 3.624 20 0 DHADRM CC(C)[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024049 991311131 /nfs/dbraw/zinc/31/11/31/991311131.db2.gz HKBZIZZFFLGCCI-GJZGRUSLSA-N -1 0 307.390 4.000 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591058428 991474077 /nfs/dbraw/zinc/47/40/77/991474077.db2.gz PCPZEROOXBXBGE-ZQIUZPCESA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001591088659 991623420 /nfs/dbraw/zinc/62/34/20/991623420.db2.gz JLEWUKKESVUHLZ-NWDGAFQWSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@H]1C(C)C ZINC001591092859 991649818 /nfs/dbraw/zinc/64/98/18/991649818.db2.gz FVEUOZGSXOMXNU-MFKMUULPSA-N -1 0 310.419 3.591 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])c2ccccc21 ZINC001591093106 991653283 /nfs/dbraw/zinc/65/32/83/991653283.db2.gz KGMXBSIDTMDBEB-INIZCTEOSA-N -1 0 309.365 3.785 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC001591123108 991802565 /nfs/dbraw/zinc/80/25/65/991802565.db2.gz MKNUDOGHHBLROF-INIZCTEOSA-N -1 0 320.820 3.610 20 0 DHADRM CC(C)C[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591130114 991820921 /nfs/dbraw/zinc/82/09/21/991820921.db2.gz GBXDWMVKYVPBCC-HOCLYGCPSA-N -1 0 311.466 3.989 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591133185 991833189 /nfs/dbraw/zinc/83/31/89/991833189.db2.gz GQRNGIKONJPYJI-OAHLLOKOSA-N -1 0 319.445 3.951 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001591134033 991836592 /nfs/dbraw/zinc/83/65/92/991836592.db2.gz NYGZRHBBVDTGNH-ZMSDIMECSA-N -1 0 319.445 3.507 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001591137502 991843046 /nfs/dbraw/zinc/84/30/46/991843046.db2.gz DFWOSFKTPNFSSM-BXUZGUMPSA-N -1 0 311.353 3.502 20 0 DHADRM CC(C)C[C@@H](C)N(C)C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC001591138031 991851785 /nfs/dbraw/zinc/85/17/85/991851785.db2.gz ONKMQWIUTHJDGI-CYBMUJFWSA-N -1 0 323.458 3.511 20 0 DHADRM CC(C)C[C@@H](CNc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC001591163102 991929471 /nfs/dbraw/zinc/92/94/71/991929471.db2.gz ZAAQGKPWFFOQLG-LBPRGKRZSA-N -1 0 311.451 3.745 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591177152 991970945 /nfs/dbraw/zinc/97/09/45/991970945.db2.gz CCUQKWDSCRDGIJ-VNHYZAJKSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001591190767 991996300 /nfs/dbraw/zinc/99/63/00/991996300.db2.gz AHDXKFAHCIMRRC-GFCCVEGCSA-N -1 0 312.822 3.818 20 0 DHADRM CC(C)CC1(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC001591197733 992020613 /nfs/dbraw/zinc/02/06/13/992020613.db2.gz MSSNVVUWTWKJSV-UHFFFAOYSA-N -1 0 308.418 3.781 20 0 DHADRM C[C@H](OCC(F)(F)F)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000896606479 1015677740 /nfs/dbraw/zinc/67/77/40/1015677740.db2.gz LMXBCVSHCKZIQA-LURJTMIESA-N -1 0 322.670 3.736 20 0 DHADRM CN(CCC(C)(C)C)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598472687 992051549 /nfs/dbraw/zinc/05/15/49/992051549.db2.gz YERJIMZTZVSGSE-UHFFFAOYSA-N -1 0 304.312 3.671 20 0 DHADRM 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ZINC001593194336 994133683 /nfs/dbraw/zinc/13/36/83/994133683.db2.gz FQTPTWVAWFYWIG-BZNIZROVSA-N -1 0 312.394 3.773 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cc2ccccc2s1 ZINC001593194721 994140709 /nfs/dbraw/zinc/14/07/09/994140709.db2.gz MDFBGAJAINFUMW-BDJLRTHQSA-N -1 0 312.394 3.773 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC001593197042 994161527 /nfs/dbraw/zinc/16/15/27/994161527.db2.gz XZAUXLBCUMHVJF-SUMWQHHRSA-N -1 0 322.364 3.818 20 0 DHADRM C[C@H](N[C@H]1c2ccccc2CC[C@H]1F)c1ncc(C(=O)[O-])s1 ZINC001593234387 994401255 /nfs/dbraw/zinc/40/12/55/994401255.db2.gz ZIQAPSGXBAGJAS-BHYNMZESSA-N -1 0 320.389 3.518 20 0 DHADRM COc1cccc([C@@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC001599658238 994616345 /nfs/dbraw/zinc/61/63/45/994616345.db2.gz AWCXTUSDJFVKLP-CQSZACIVSA-N -1 0 309.724 3.726 20 0 DHADRM COc1cccc([C@H](Nc2cccc(SC)c2)C(=O)[O-])c1 ZINC001599660313 994645716 /nfs/dbraw/zinc/64/57/16/994645716.db2.gz SXQCRQYKVMBTDN-HNNXBMFYSA-N -1 0 303.383 3.655 20 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C[C@@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc(F)cc(F)c1 ZINC001593517644 995556571 /nfs/dbraw/zinc/55/65/71/995556571.db2.gz XNJBIRGBLYYEGN-PKRMOACSSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@@H](OC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccc(C(=O)[O-])o1 ZINC001593518021 995559128 /nfs/dbraw/zinc/55/91/28/995559128.db2.gz ZTNFBUJCFNUXMM-JMCQJSRRSA-N -1 0 321.156 3.556 20 0 DHADRM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1cc(C(=O)[O-])co1 ZINC001593593760 995727939 /nfs/dbraw/zinc/72/79/39/995727939.db2.gz QCZJNMFXWWITLZ-SSDOTTSWSA-N -1 0 312.680 3.688 20 0 DHADRM C[C@H](OC(=O)c1cscc1C(F)F)c1ccc(C(=O)[O-])o1 ZINC001593601515 995758417 /nfs/dbraw/zinc/75/84/17/995758417.db2.gz PWTUVBJORMBWQL-LURJTMIESA-N -1 0 316.281 3.895 20 0 DHADRM C[C@@H](Oc1ccccc1CNc1cnc2ccccc2c1)C(=O)[O-] ZINC001593651616 996012978 /nfs/dbraw/zinc/01/29/78/996012978.db2.gz NLGBJCSYUSDQPT-CYBMUJFWSA-N -1 0 322.364 3.699 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)OC(C)(C)C)c1ccc(C(=O)[O-])o1 ZINC001593659561 996036043 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ZINC000659144312 1021207031 /nfs/dbraw/zinc/20/70/31/1021207031.db2.gz FPRZKVUIDUWSMU-MRXNPFEDSA-N -1 0 317.429 3.773 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000659160306 1021220655 /nfs/dbraw/zinc/22/06/55/1021220655.db2.gz IPSLVGMWQRAWNZ-TZMCWYRMSA-N -1 0 301.386 3.784 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000659168252 1021220977 /nfs/dbraw/zinc/22/09/77/1021220977.db2.gz UMYOFRWPVAQWRB-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM C[C@H](NC(=O)CCCc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)[O-] ZINC000448993623 1021243227 /nfs/dbraw/zinc/24/32/27/1021243227.db2.gz NPUPXQCUPMPQKH-KBPBESRZSA-N -1 0 319.445 3.532 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCC2CCCC2)[C@H]2CCCC[C@H]12 ZINC000659195039 1021243542 /nfs/dbraw/zinc/24/35/42/1021243542.db2.gz OCVRPKMAMCNPIL-ZACQAIPSSA-N -1 0 321.461 3.839 20 0 DHADRM CCCn1cc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cn1 ZINC000743262534 1021249959 /nfs/dbraw/zinc/24/99/59/1021249959.db2.gz ZWFLQBCUXVCISL-CYBMUJFWSA-N -1 0 321.446 3.607 20 0 DHADRM C[C@@H]1N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc2C1(C)C ZINC000659211666 1021252150 /nfs/dbraw/zinc/25/21/50/1021252150.db2.gz XZGWARZHRLTQMB-IHRRRGAJSA-N -1 0 315.413 3.590 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000659232866 1021279155 /nfs/dbraw/zinc/27/91/55/1021279155.db2.gz PYMRHGOJXQVMGB-UYSNPLJNSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000659232971 1021279505 /nfs/dbraw/zinc/27/95/05/1021279505.db2.gz RPWPZSOGTBCNSE-KRWDZBQOSA-N -1 0 317.429 3.889 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2F)C(C)C)oc1C(=O)[O-] ZINC000630205513 1021344218 /nfs/dbraw/zinc/34/42/18/1021344218.db2.gz HPRNBEJNWRULLM-CQSZACIVSA-N -1 0 319.332 3.552 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)NC2CCCCCCC2)c(C)c1 ZINC000107969422 1021355307 /nfs/dbraw/zinc/35/53/07/1021355307.db2.gz RUHNPMRCQCCWAO-JOCHJYFZSA-N -1 0 321.486 3.640 20 0 DHADRM CCC(CC)(CC(=O)N[C@H](C)[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000382271261 1021371576 /nfs/dbraw/zinc/37/15/76/1021371576.db2.gz YSXIFIBONINFRG-URGYJCLVSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000744080216 1021425598 /nfs/dbraw/zinc/42/55/98/1021425598.db2.gz KNIXQDNSKDXWIF-AWEZNQCLSA-N -1 0 317.495 3.619 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)NCCCCCC(=O)[O-] ZINC000659404447 1021417616 /nfs/dbraw/zinc/41/76/16/1021417616.db2.gz BLYHHMJFOCWGLC-OAHLLOKOSA-N -1 0 312.454 3.776 20 0 DHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cncs2)cc1 ZINC001241500725 1021464571 /nfs/dbraw/zinc/46/45/71/1021464571.db2.gz QKOIXQGZHMPDMM-QMMMGPOBSA-N -1 0 300.305 3.550 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)s1 ZINC000070030705 1021486742 /nfs/dbraw/zinc/48/67/42/1021486742.db2.gz NHGGPWPQVCOKGA-JTQLQIEISA-N -1 0 303.449 3.774 20 0 DHADRM CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1OC ZINC000744322512 1021499635 /nfs/dbraw/zinc/49/96/35/1021499635.db2.gz XLGFZTGGVKDWMS-CYBMUJFWSA-N -1 0 321.323 3.560 20 0 DHADRM Cc1cc(NC(=O)c2cccc(N3CCCC3)c2)ccc1C(=O)[O-] ZINC000659761475 1021517056 /nfs/dbraw/zinc/51/70/56/1021517056.db2.gz KFWCKDLTLQYYJM-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)c1 ZINC000181958103 1021537158 /nfs/dbraw/zinc/53/71/58/1021537158.db2.gz WUYJPGBFPDBDQU-AWEZNQCLSA-N -1 0 313.372 3.778 20 0 DHADRM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000129705345 1021553239 /nfs/dbraw/zinc/55/32/39/1021553239.db2.gz FRWMQKDUPSRVPF-GFCCVEGCSA-N -1 0 308.765 3.532 20 0 DHADRM S=c1[n-]c2ccc(-c3noc([C@H]4CCC=N4)n3)cc2s1 ZINC001212235091 1021594309 /nfs/dbraw/zinc/59/43/09/1021594309.db2.gz GUPKRJMBTJZEEL-SECBINFHSA-N -1 0 302.384 3.541 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000659125308 1021633605 /nfs/dbraw/zinc/63/36/05/1021633605.db2.gz OFUNXNCNGHOKTG-HZPDHXFCSA-N -1 0 315.413 3.679 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)[O-] ZINC000236654867 1021660988 /nfs/dbraw/zinc/66/09/88/1021660988.db2.gz HTEUESXTWBVFCS-BBRMVZONSA-N -1 0 323.408 3.544 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314183412 1021723452 /nfs/dbraw/zinc/72/34/52/1021723452.db2.gz MVJNSNFRQUQWDT-DFBGVHRSSA-N -1 0 321.804 3.526 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746166487 1021885675 /nfs/dbraw/zinc/88/56/75/1021885675.db2.gz PATFQYUTXYVHSC-ZYHUDNBSSA-N -1 0 304.415 3.673 20 0 DHADRM CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccs1 ZINC000746274887 1021908069 /nfs/dbraw/zinc/90/80/69/1021908069.db2.gz AHXDAHYAWRZDRC-UHFFFAOYSA-N -1 0 318.423 3.843 20 0 DHADRM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746299384 1021909208 /nfs/dbraw/zinc/90/92/08/1021909208.db2.gz OSMLJVGJWGFZIG-JSGCOSHPSA-N -1 0 316.426 3.815 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535867 1021942977 /nfs/dbraw/zinc/94/29/77/1021942977.db2.gz KXTOKYOWMLEZJC-JTQLQIEISA-N -1 0 319.188 3.614 20 0 DHADRM CCOc1cc(C(=O)Nc2cccc(C)c2O)cc(Cl)c1O ZINC000186962249 1021948080 /nfs/dbraw/zinc/94/80/80/1021948080.db2.gz AMSJDAQBCRNZNE-UHFFFAOYSA-N -1 0 321.760 3.711 20 0 DHADRM CC(C)(C)NC(=O)Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001202482719 1021963779 /nfs/dbraw/zinc/96/37/79/1021963779.db2.gz FPVLUZCPFJZJTQ-ZDUSSCGKSA-N -1 0 306.406 3.821 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000826578132 1033019047 /nfs/dbraw/zinc/01/90/47/1033019047.db2.gz VRVWJGXYVUCIFN-UHFFFAOYSA-N -1 0 321.804 3.691 20 0 DHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000766373838 1022087799 /nfs/dbraw/zinc/08/77/99/1022087799.db2.gz ZJYSOJNXWBPHNI-KTKRTIGZSA-N -1 0 318.398 3.581 20 0 DHADRM O=C(Nc1ccc2ncsc2c1)c1c([O-])cc(F)cc1F ZINC000195302228 1022101690 /nfs/dbraw/zinc/10/16/90/1022101690.db2.gz ICZNHZUXJNSQNA-UHFFFAOYSA-N -1 0 306.293 3.532 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000659145894 1022121165 /nfs/dbraw/zinc/12/11/65/1022121165.db2.gz 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/nfs/dbraw/zinc/24/40/40/1022244040.db2.gz JCXMFNBPQDVCDN-CABCVRRESA-N -1 0 305.418 3.688 20 0 DHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(F)c1F ZINC000153840199 1022255898 /nfs/dbraw/zinc/25/58/98/1022255898.db2.gz NJLNYYICBLVEPM-MRVPVSSYSA-N -1 0 311.715 3.815 20 0 DHADRM CC[C@H](C)C(=O)Cc1nc(=O)c2cc(C(F)(F)F)sc2[nH]1 ZINC000416410423 1022314013 /nfs/dbraw/zinc/31/40/13/1022314013.db2.gz FWVVMQQSXUBVTD-LURJTMIESA-N -1 0 318.320 3.573 20 0 DHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000183910593 1022373455 /nfs/dbraw/zinc/37/34/55/1022373455.db2.gz WVYGIUDYNGMDJM-UHFFFAOYSA-N -1 0 308.293 3.706 20 0 DHADRM Cc1cc2c(cc1C)N(C(=O)c1cc(F)c(F)c([O-])c1F)CC2 ZINC000804321533 1022402757 /nfs/dbraw/zinc/40/27/57/1022402757.db2.gz YNMHDSWRPDBPEZ-UHFFFAOYSA-N -1 0 321.298 3.629 20 0 DHADRM O=c1cc(CNc2ccc3[nH]c(-c4ccccc4)nc3c2)o[n-]1 ZINC001169492563 1022432863 /nfs/dbraw/zinc/43/28/63/1022432863.db2.gz LJVSIBDDWOWLEF-UHFFFAOYSA-N -1 0 306.325 3.536 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281237 1022443674 /nfs/dbraw/zinc/44/36/74/1022443674.db2.gz NWOXGGVGSJOJPO-JSGCOSHPSA-N -1 0 313.401 3.937 20 0 DHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]OCC(F)(F)F ZINC000766766278 1022472286 /nfs/dbraw/zinc/47/22/86/1022472286.db2.gz CEKRZNCGWXDDSX-GFCCVEGCSA-N -1 0 321.364 3.555 20 0 DHADRM O[C@@H]1c2ccccc2CC[C@@H]1Nc1ccc2oc(=S)[n-]c2c1 ZINC001169617102 1022483550 /nfs/dbraw/zinc/48/35/50/1022483550.db2.gz APWYRIQIRQOCNJ-XJKSGUPXSA-N -1 0 312.394 3.577 20 0 DHADRM CCc1c(Cl)nc(C(C)(C)C)nc1NCc1ncccc1O ZINC001169731844 1022526016 /nfs/dbraw/zinc/52/60/16/1022526016.db2.gz RNSQEOHRJGKUCJ-UHFFFAOYSA-N -1 0 320.824 3.703 20 0 DHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854828296 1022531956 /nfs/dbraw/zinc/53/19/56/1022531956.db2.gz VVUCQLMRYDKAOE-IUODEOHRSA-N -1 0 318.442 3.869 20 0 DHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)sc1C ZINC000237769925 1022532912 /nfs/dbraw/zinc/53/29/12/1022532912.db2.gz PETUVFMCHXJZFR-CQSZACIVSA-N -1 0 317.410 3.619 20 0 DHADRM Cc1ccc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000364014771 1022583426 /nfs/dbraw/zinc/58/34/26/1022583426.db2.gz PLVQEVHGPMJARL-ZDUSSCGKSA-N -1 0 317.335 3.609 20 0 DHADRM Cc1ccc(F)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1F ZINC000767073731 1022636086 /nfs/dbraw/zinc/63/60/86/1022636086.db2.gz WUNSFYFGGULZLP-UHFFFAOYSA-N -1 0 320.320 3.955 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000767092355 1022643190 /nfs/dbraw/zinc/64/31/90/1022643190.db2.gz RFEKVEQIKGAESM-TWGQIWQCSA-N -1 0 324.311 3.657 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000767171326 1022652530 /nfs/dbraw/zinc/65/25/30/1022652530.db2.gz WCNDSTHXDZXACW-NVXWUHKLSA-N -1 0 319.445 3.886 20 0 DHADRM N#Cc1ccccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184211825 1022769677 /nfs/dbraw/zinc/76/96/77/1022769677.db2.gz NAYUMZAPHQAWIL-CMDGGOBGSA-N -1 0 318.785 3.624 20 0 DHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCC2(CCCC2)C1 ZINC000180614742 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Cc1sc(C)c2c1[n-]c([C@H]1COc3ccccc3O1)nc2=O ZINC000864356673 1034327845 /nfs/dbraw/zinc/32/78/45/1034327845.db2.gz XKHRBFGAOYGTHM-GFCCVEGCSA-N -1 0 314.366 3.526 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)NCCCCCCCC(=O)[O-] ZINC000777384198 1034355562 /nfs/dbraw/zinc/35/55/62/1034355562.db2.gz GMHPGHFYVKYCIY-BUHFOSPRSA-N -1 0 321.392 3.770 20 0 DHADRM CC(C)(C)CC[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864509696 1034368931 /nfs/dbraw/zinc/36/89/31/1034368931.db2.gz MFWHPORXHJTFMJ-NSHDSACASA-N -1 0 312.479 3.810 20 0 DHADRM Cc1c(Cl)cccc1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000864515618 1034369912 /nfs/dbraw/zinc/36/99/12/1034369912.db2.gz YMGYSADCUDBRAU-VIFPVBQESA-N -1 0 310.806 3.654 20 0 DHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccc(O)cc2c1O ZINC000898983712 1034375551 /nfs/dbraw/zinc/37/55/51/1034375551.db2.gz CIMXNWCLZGJRPA-QXMXGUDHSA-N -1 0 311.381 3.654 20 0 DHADRM CC(C)(C)OC(=O)c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001174427083 1034375686 /nfs/dbraw/zinc/37/56/86/1034375686.db2.gz 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COc1cc(Nc2nc(C(F)(F)F)cs2)ccc1C(=O)[O-] ZINC001174681057 1034548000 /nfs/dbraw/zinc/54/80/00/1034548000.db2.gz KEJVOGZQCPPLHJ-UHFFFAOYSA-N -1 0 318.276 3.612 20 0 DHADRM COc1cc(Nc2cc(-c3ccccc3)cnn2)ccc1C(=O)[O-] ZINC001174683531 1034548163 /nfs/dbraw/zinc/54/81/63/1034548163.db2.gz OKZBUJIRRAAUAJ-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM COc1cc(Nc2c(C)cc(C)c(N)c2C)ccc1C(=O)[O-] ZINC001174685579 1034549749 /nfs/dbraw/zinc/54/97/49/1034549749.db2.gz UMGYWXRAGYOXRD-UHFFFAOYSA-N -1 0 300.358 3.644 20 0 DHADRM COc1cc(Nc2cc(O)c(C)cc2Cl)ccc1C(=O)[O-] ZINC001174686473 1034549889 /nfs/dbraw/zinc/54/98/89/1034549889.db2.gz FKEVUITWMANFJD-UHFFFAOYSA-N -1 0 307.733 3.804 20 0 DHADRM COc1cc(Nc2cc(Cl)c(N)cc2C)ccc1C(=O)[O-] ZINC001174687285 1034549926 /nfs/dbraw/zinc/54/99/26/1034549926.db2.gz RGYIFFKDLGZTSJ-UHFFFAOYSA-N -1 0 306.749 3.681 20 0 DHADRM COc1cc(Nc2c(C)c(C)c(N)c(C)c2C)ccc1C(=O)[O-] ZINC001174686897 1034550384 /nfs/dbraw/zinc/55/03/84/1034550384.db2.gz YNACBRIHGSTITP-UHFFFAOYSA-N -1 0 314.385 3.953 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(Cl)c(F)c1 ZINC000899352873 1034590536 /nfs/dbraw/zinc/59/05/36/1034590536.db2.gz QHBLAMCINDCSLN-SNVBAGLBSA-N -1 0 320.673 3.770 20 0 DHADRM COc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c(C)c1 ZINC000899356899 1034603308 /nfs/dbraw/zinc/60/33/08/1034603308.db2.gz WNDAGASKIKWLOS-SOFGYWHQSA-N -1 0 312.369 3.786 20 0 DHADRM CC(C)c1ccc([C@@H](C)n2[n-]c(-c3cccnc3)cc2=O)cc1 ZINC000899360555 1034606285 /nfs/dbraw/zinc/60/62/85/1034606285.db2.gz NFXGDEHVZGJYBP-CQSZACIVSA-N -1 0 307.397 3.903 20 0 DHADRM CCCCn1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C)n1 ZINC000186262296 1034612156 /nfs/dbraw/zinc/61/21/56/1034612156.db2.gz KPUDZTAIDACMGL-UHFFFAOYSA-N -1 0 307.781 3.603 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnn2-c2ccccc2F)s1 ZINC001174806542 1034630411 /nfs/dbraw/zinc/63/04/11/1034630411.db2.gz DLLDFUXIXUSKKW-UHFFFAOYSA-N -1 0 303.318 3.515 20 0 DHADRM CCOC(=O)c1cc(C)sc1Nc1ccc(C(=O)[O-])s1 ZINC001174805953 1034630955 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C[C@H](CC(=O)[O-])c1ccc(NCc2ccc(Cl)cn2)cc1 ZINC000904015460 1035339291 /nfs/dbraw/zinc/33/92/91/1035339291.db2.gz OOWCUKSWJHGMOU-LLVKDONJSA-N -1 0 304.777 3.925 20 0 DHADRM CC[C@H](Cc1ccc(NCc2cccc3n[nH]cc32)cc1)C(=O)[O-] ZINC000904015739 1035339792 /nfs/dbraw/zinc/33/97/92/1035339792.db2.gz VXIDSPQHTUXKEH-CQSZACIVSA-N -1 0 323.396 3.828 20 0 DHADRM Cc1noc(-c2ccc(-c3csc(C(=O)[O-])c3)cc2)c1N ZINC001206291340 1035344112 /nfs/dbraw/zinc/34/41/12/1035344112.db2.gz MNVPVXPBDKDTMH-UHFFFAOYSA-N -1 0 300.339 3.659 20 0 DHADRM CC(C)c1c[nH]c(CNc2ccc(CCCC(=O)[O-])cc2)n1 ZINC000904012411 1035345373 /nfs/dbraw/zinc/34/53/73/1035345373.db2.gz ZBJDCLXCRPDQBF-UHFFFAOYSA-N -1 0 301.390 3.553 20 0 DHADRM CC(C)Oc1c(NCc2ccc(Cl)cn2)cccc1C(=O)[O-] ZINC000904011168 1035345642 /nfs/dbraw/zinc/34/56/42/1035345642.db2.gz ZUXFPXKATXHMIL-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM CC(C)CCC[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000904035910 1035348461 /nfs/dbraw/zinc/34/84/61/1035348461.db2.gz IQPRYYGESMFDOV-CYBMUJFWSA-N -1 0 312.479 3.810 20 0 DHADRM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]Oc1ccccc1F ZINC001177114297 1035351401 /nfs/dbraw/zinc/35/14/01/1035351401.db2.gz SAIPPUFPWUIVAX-UHFFFAOYSA-N -1 0 314.143 3.785 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2ccc(F)cc2C1 ZINC000194924204 1035359791 /nfs/dbraw/zinc/35/97/91/1035359791.db2.gz SJLAKBKVPSYLAF-UHFFFAOYSA-N -1 0 323.726 3.522 20 0 DHADRM COC[C@H](C)Cc1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904099701 1035362603 /nfs/dbraw/zinc/36/26/03/1035362603.db2.gz DTAAZOHMLXJFPO-SSDOTTSWSA-N -1 0 317.172 3.574 20 0 DHADRM [O-]c1c(F)cccc1-c1nc([C@H]2CCOC3(CCCC3)C2)no1 ZINC000904158317 1035374093 /nfs/dbraw/zinc/37/40/93/1035374093.db2.gz DENPKBJLOVXRDA-NSHDSACASA-N -1 0 318.348 3.788 20 0 DHADRM O=C(/C=C/c1nccs1)Nc1c(Cl)ccc([O-])c1Cl ZINC001177523628 1035376683 /nfs/dbraw/zinc/37/66/83/1035376683.db2.gz DHQDVWJHANIVFB-ONEGZZNKSA-N -1 0 315.181 3.807 20 0 DHADRM CCSc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904200513 1035384390 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Cc1ccc([C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000323060527 1035496931 /nfs/dbraw/zinc/49/69/31/1035496931.db2.gz LJBQZJIXUCKFMV-AWEZNQCLSA-N -1 0 311.381 3.801 20 0 DHADRM C[C@@H](NC(=O)Nc1cc([O-])c(F)c(F)c1)c1ccc(F)cc1 ZINC001193143379 1035576858 /nfs/dbraw/zinc/57/68/58/1035576858.db2.gz DJGZWCJDHPDARD-MRVPVSSYSA-N -1 0 310.275 3.692 20 0 DHADRM O=C(Nc1cccnc1C1CC1)c1c([O-])cnc2c(F)cccc21 ZINC001180184630 1035608190 /nfs/dbraw/zinc/60/81/90/1035608190.db2.gz QSRGVORDGJPEFU-UHFFFAOYSA-N -1 0 323.327 3.604 20 0 DHADRM Cc1c([N-]S(=O)(=O)CC2CCC2)snc1-c1ccccc1 ZINC001193478664 1035638443 /nfs/dbraw/zinc/63/84/43/1035638443.db2.gz FXUJDQRQYPRLJH-UHFFFAOYSA-N -1 0 322.455 3.660 20 0 DHADRM CC(C)[C@@H]1C[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC000905758813 1035648870 /nfs/dbraw/zinc/64/88/70/1035648870.db2.gz HDIHLVNOPTXYGS-ZBFHGGJFSA-N -1 0 314.385 3.549 20 0 DHADRM Cc1nc([N-]S(=O)(=O)c2ccccc2C(C)C)sc1C ZINC000190979539 1035651385 /nfs/dbraw/zinc/65/13/85/1035651385.db2.gz SZRVMKXHRFVWEQ-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM Cc1cccnc1[C@@H](NCc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000905796730 1035654842 /nfs/dbraw/zinc/65/48/42/1035654842.db2.gz HPEKCSVUHPKUKS-OAHLLOKOSA-N -1 0 302.374 3.558 20 0 DHADRM Cc1c(Cl)cc(NC(=O)[C@@]2(C)CCCO2)c([O-])c1Cl ZINC001180475891 1035680598 /nfs/dbraw/zinc/68/05/98/1035680598.db2.gz XQPJRERAKUHPSK-CYBMUJFWSA-N -1 0 304.173 3.515 20 0 DHADRM CCCCN(Cc1ccccc1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001180436080 1035669746 /nfs/dbraw/zinc/66/97/46/1035669746.db2.gz VNBPDEAYHSOTMP-UHFFFAOYSA-N -1 0 317.429 3.850 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(F)c3ccccc23)CCCCC1 ZINC001180436358 1035669908 /nfs/dbraw/zinc/66/99/08/1035669908.db2.gz GYJZEYSPBLLXBX-UHFFFAOYSA-N -1 0 315.344 3.953 20 0 DHADRM CC(C)C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001180438827 1035672976 /nfs/dbraw/zinc/67/29/76/1035672976.db2.gz OEHOMDNHSBLMLJ-MRXNPFEDSA-N -1 0 317.429 3.925 20 0 DHADRM CCCCOC(=O)Nc1cc(Br)cc(F)c1[O-] ZINC001193707698 1035716676 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Cc1cc(OC(F)F)ccc1-c1cn(C(C)C)nc1C(=O)[O-] ZINC000906243856 1035855342 /nfs/dbraw/zinc/85/53/42/1035855342.db2.gz CEGOFCIHCSGRLV-UHFFFAOYSA-N -1 0 310.300 3.739 20 0 DHADRM Cc1n[nH]c2ccc(-c3ccc4c(c3)C[C@H]3[C@@H]4[C@H]3C(=O)[O-])cc12 ZINC000906240931 1035872178 /nfs/dbraw/zinc/87/21/78/1035872178.db2.gz PFHLXMDPLKSNSP-JQHSSLGASA-N -1 0 304.349 3.509 20 0 DHADRM CCOCc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])cc1F ZINC000906241509 1035873810 /nfs/dbraw/zinc/87/38/10/1035873810.db2.gz UMLHAESAFAQSNM-UHFFFAOYSA-N -1 0 306.337 3.505 20 0 DHADRM CC(=O)c1cccc(O)c1NC(=O)CC1CCC(F)(F)CC1 ZINC001181434137 1035921300 /nfs/dbraw/zinc/92/13/00/1035921300.db2.gz WOCYZDTXTGCUHH-UHFFFAOYSA-N -1 0 311.328 3.749 20 0 DHADRM CSc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000193919049 1035949629 /nfs/dbraw/zinc/94/96/29/1035949629.db2.gz CMTNGHARJCRKAW-UHFFFAOYSA-N -1 0 313.300 3.784 20 0 DHADRM Cc1c(Cl)cc(NC(=O)[C@H]2C[C@@]2(F)Cl)c([O-])c1Cl ZINC001181665195 1035959850 /nfs/dbraw/zinc/95/98/50/1035959850.db2.gz KCGPMKGDWBLXDJ-GCXOYZPQSA-N -1 0 312.555 3.870 20 0 DHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC001194603357 1035968508 /nfs/dbraw/zinc/96/85/08/1035968508.db2.gz VFDOIEMVKXCWKK-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC001194634597 1035973379 /nfs/dbraw/zinc/97/33/79/1035973379.db2.gz WEMHCECNGMQPDL-UHFFFAOYSA-N -1 0 319.426 3.891 20 0 DHADRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194634411 1035974441 /nfs/dbraw/zinc/97/44/41/1035974441.db2.gz SFLGZPIEBNQYTR-UHFFFAOYSA-N -1 0 323.389 3.642 20 0 DHADRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642774 1035977712 /nfs/dbraw/zinc/97/77/12/1035977712.db2.gz OIAACHWGQGGLOJ-UHFFFAOYSA-N -1 0 323.389 3.642 20 0 DHADRM COc1c(NC(=O)C2[C@H]3CCCCCC[C@H]23)cccc1C(=O)[O-] ZINC000906503244 1035999274 /nfs/dbraw/zinc/99/92/74/1035999274.db2.gz VJYNFTNIGWJXFR-RYUDHWBXSA-N -1 0 317.385 3.548 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)o1 ZINC000540211057 1036014719 /nfs/dbraw/zinc/01/47/19/1036014719.db2.gz HSVXUIOFQDWFRH-UHFFFAOYSA-N -1 0 306.170 3.696 20 0 DHADRM C[C@H]1c2ccccc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174677063 1036029073 /nfs/dbraw/zinc/02/90/73/1036029073.db2.gz KIUCZYKIHLKZQF-NSHDSACASA-N -1 0 324.405 3.876 20 0 DHADRM COCC(C)(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001181948429 1036053975 /nfs/dbraw/zinc/05/39/75/1036053975.db2.gz MCYSPQNVAVBEKP-UHFFFAOYSA-N -1 0 306.189 3.619 20 0 DHADRM CC(=O)c1ccc(Cl)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000071703796 1036056378 /nfs/dbraw/zinc/05/63/78/1036056378.db2.gz NOARYJSKLKHBNL-UHFFFAOYSA-N -1 0 303.745 3.913 20 0 DHADRM Cc1cc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc(C(=O)[O-])c1C ZINC000485951991 1036061217 /nfs/dbraw/zinc/06/12/17/1036061217.db2.gz OQBRJNLJPASGGO-BDJLRTHQSA-N -1 0 319.401 3.535 20 0 DHADRM CC(C)(C)c1csc([N-]S(=O)(=O)CC[Si](C)(C)C)n1 ZINC001195032328 1036109607 /nfs/dbraw/zinc/10/96/07/1036109607.db2.gz JTNFBHCRILBTQP-UHFFFAOYSA-N -1 0 320.556 3.521 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C3\COc4ccc(F)cc43)oc2c1 ZINC000486081666 1036114640 /nfs/dbraw/zinc/11/46/40/1036114640.db2.gz ZTFNGBWPPAQSSB-UXBLZVDNSA-N -1 0 311.268 3.598 20 0 DHADRM C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc2ccccc2s1 ZINC000907123357 1036151322 /nfs/dbraw/zinc/15/13/22/1036151322.db2.gz KSHUQTWUIWVLIA-MRVPVSSYSA-N -1 0 323.361 3.521 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCS1 ZINC000228836078 1036205276 /nfs/dbraw/zinc/20/52/76/1036205276.db2.gz DFWLMIFNISNFBL-JTQLQIEISA-N -1 0 306.214 3.923 20 0 DHADRM CCCc1ccnc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195285260 1036209259 /nfs/dbraw/zinc/20/92/59/1036209259.db2.gz SUHUQOWVFGMEJW-UHFFFAOYSA-N -1 0 324.833 3.797 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2cnoc2c1 ZINC001195310272 1036214934 /nfs/dbraw/zinc/21/49/34/1036214934.db2.gz WLUGOFDORQCSQS-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM Cc1csc(C)c1S(=O)(=O)[N-]c1c[nH]c2ccccc12 ZINC001195311127 1036219344 /nfs/dbraw/zinc/21/93/44/1036219344.db2.gz RSIXAPVVNVKYPB-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM O=C(Nc1nnco1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001195405895 1036235034 /nfs/dbraw/zinc/23/50/34/1036235034.db2.gz WDAIRXDEBJKVMU-UHFFFAOYSA-N -1 0 324.123 3.889 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccccc2C2CCC2)c1 ZINC000907607979 1036238596 /nfs/dbraw/zinc/23/85/96/1036238596.db2.gz BZNHBAMCSLTOMY-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM COc1c(C)ccc(NC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775656428 1036249897 /nfs/dbraw/zinc/24/98/97/1036249897.db2.gz UJLKJUACCDYXAV-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM O=C(NC(=S)Nc1c([S-])cccc1Cl)c1ccccc1 ZINC001195421348 1036253721 /nfs/dbraw/zinc/25/37/21/1036253721.db2.gz CCWFDVQTMRTXBO-UHFFFAOYSA-N -1 0 322.842 3.756 20 0 DHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775657223 1036259171 /nfs/dbraw/zinc/25/91/71/1036259171.db2.gz YUJDKAFXZPVIBP-UHFFFAOYSA-N -1 0 319.788 3.717 20 0 DHADRM CC(=O)Nc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1C ZINC000775664483 1036283101 /nfs/dbraw/zinc/28/31/01/1036283101.db2.gz 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Cc1c(NCc2nc3c(s2)C[C@H](C)CC3)cccc1C(=O)[O-] ZINC000340684135 132148792 /nfs/dbraw/zinc/14/87/92/132148792.db2.gz SQEIAONEEWLHIP-SNVBAGLBSA-N -1 0 316.426 3.887 20 0 DHADRM CC(C)c1noc(=N[C@H](C)c2ccc(Oc3cccnc3)cc2)[n-]1 ZINC000340779919 132188224 /nfs/dbraw/zinc/18/82/24/132188224.db2.gz PGITTWCUJOGNOG-CYBMUJFWSA-N -1 0 324.384 3.975 20 0 DHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000161658319 332779531 /nfs/dbraw/zinc/77/95/31/332779531.db2.gz FYKLVWMOUHKXOS-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM CC[C@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccncc1 ZINC000570705170 332804123 /nfs/dbraw/zinc/80/41/23/332804123.db2.gz IADAUIFLTNZLLY-AWEZNQCLSA-N -1 0 302.447 3.966 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)cc1Cl ZINC000570777296 332814187 /nfs/dbraw/zinc/81/41/87/332814187.db2.gz YWOMJXOXPUXRDD-HXPMCKFVSA-N -1 0 323.241 3.741 20 0 DHADRM CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])c2ccccc21 ZINC000172430891 332819724 /nfs/dbraw/zinc/81/97/24/332819724.db2.gz TXCJNYIVGQRBKH-UHFFFAOYSA-N -1 0 316.788 3.532 20 0 DHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2)c(OC(F)F)c1 ZINC000556321549 331664501 /nfs/dbraw/zinc/66/45/01/331664501.db2.gz CFBWVXFZNJLMBJ-UHFFFAOYSA-N -1 0 323.295 3.607 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000078880200 331676159 /nfs/dbraw/zinc/67/61/59/331676159.db2.gz VIBHVUYWSIWOGL-UHFFFAOYSA-N -1 0 323.698 3.798 20 0 DHADRM CCCc1ccccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000317316851 331683224 /nfs/dbraw/zinc/68/32/24/331683224.db2.gz YZRYYSVIXNTSAI-CQSZACIVSA-N -1 0 306.406 3.508 20 0 DHADRM CC[C@H](C(=O)[O-])[S@](=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000556711799 331726851 /nfs/dbraw/zinc/72/68/51/331726851.db2.gz LHUREGUSHNKKPP-IIFNXBSASA-N -1 0 309.214 3.666 20 0 DHADRM CCCc1sc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1CC ZINC000261983882 331761940 /nfs/dbraw/zinc/76/19/40/331761940.db2.gz RTUSHAXKMJZWFO-UHFFFAOYSA-N -1 0 323.458 3.636 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1Cl ZINC000317468171 331811426 /nfs/dbraw/zinc/81/14/26/331811426.db2.gz XAQBCWRGJJYHID-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CCC[C@](C)(NC(=O)Nc1cccc(SCC)c1)C(=O)[O-] ZINC000517770343 331968564 /nfs/dbraw/zinc/96/85/64/331968564.db2.gz KZDCFMOPPVMGLK-HNNXBMFYSA-N -1 0 310.419 3.564 20 0 DHADRM CCc1cccc(CC)c1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261767032 332023275 /nfs/dbraw/zinc/02/32/75/332023275.db2.gz QMHLOAIJSRQYFI-UHFFFAOYSA-N -1 0 318.417 3.576 20 0 DHADRM CCCC[C@@H](C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000409963081 332068818 /nfs/dbraw/zinc/06/88/18/332068818.db2.gz SMUSMIZQQPYUCD-SNVBAGLBSA-N -1 0 309.460 3.762 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)nc1 ZINC000518546942 332077338 /nfs/dbraw/zinc/07/73/38/332077338.db2.gz RPVNOUNPUQKPEQ-INIZCTEOSA-N -1 0 316.788 3.770 20 0 DHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c1 ZINC000410342011 332113230 /nfs/dbraw/zinc/11/32/30/332113230.db2.gz XUUAJLFDJXDHRU-UHFFFAOYSA-N -1 0 322.430 3.531 20 0 DHADRM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Cl)c1cccs1 ZINC000426787113 332153196 /nfs/dbraw/zinc/15/31/96/332153196.db2.gz AXYRWSYBCINVGV-LBPRGKRZSA-N -1 0 316.209 3.970 20 0 DHADRM CC(C)(C)C[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000426796753 332154829 /nfs/dbraw/zinc/15/48/29/332154829.db2.gz BWKYMJINKZGEKU-CYBMUJFWSA-N -1 0 318.442 3.789 20 0 DHADRM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000426799305 332154984 /nfs/dbraw/zinc/15/49/84/332154984.db2.gz LAIBCTMGMUIYDQ-INIZCTEOSA-N -1 0 319.426 3.698 20 0 DHADRM CCc1ccc([C@H](NCc2ccsc2Cl)C(=O)[O-])cc1 ZINC000426820520 332157587 /nfs/dbraw/zinc/15/75/87/332157587.db2.gz ZNOWDAIFYKAIRB-ZDUSSCGKSA-N -1 0 309.818 3.879 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000427203540 332183647 /nfs/dbraw/zinc/18/36/47/332183647.db2.gz HGIXBLJKIFOJPW-CQSZACIVSA-N -1 0 312.413 3.713 20 0 DHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427243030 332187500 /nfs/dbraw/zinc/18/75/00/332187500.db2.gz NLGPKLDNCHZJMU-UHFFFAOYSA-N -1 0 324.452 3.775 20 0 DHADRM O=C([O-])c1cc(/C=C\c2cc(C(F)(F)F)ccc2F)ncn1 ZINC000536389865 332237398 /nfs/dbraw/zinc/23/73/98/332237398.db2.gz FRJJEGJTJKHKQO-IWQZZHSRSA-N -1 0 312.222 3.503 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC000536415131 332240883 /nfs/dbraw/zinc/24/08/83/332240883.db2.gz SLLMZJHMLKMMCT-KRWDZBQOSA-N -1 0 309.365 3.574 20 0 DHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000115314030 332241653 /nfs/dbraw/zinc/24/16/53/332241653.db2.gz SOCAEBPGRNQIKR-UHFFFAOYSA-N -1 0 311.428 3.726 20 0 DHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])c1nccs1 ZINC000094126446 332265664 /nfs/dbraw/zinc/26/56/64/332265664.db2.gz JUHWBBPEPASNDM-UHFFFAOYSA-N -1 0 318.785 3.932 20 0 DHADRM CCCCc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000559584397 332272595 /nfs/dbraw/zinc/27/25/95/332272595.db2.gz DDVCHYRPBCFJDE-ZDUSSCGKSA-N -1 0 318.417 3.889 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000559586805 332273141 /nfs/dbraw/zinc/27/31/41/332273141.db2.gz OSCLBUOOCOPUIU-UHFFFAOYSA-N -1 0 319.188 3.630 20 0 DHADRM Cc1ccncc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000559962410 332297208 /nfs/dbraw/zinc/29/72/08/332297208.db2.gz SXGPCFYHQZYQEE-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)c(C)s1 ZINC000049513900 332313866 /nfs/dbraw/zinc/31/38/66/332313866.db2.gz JIXMFQGAXXANSJ-JTQLQIEISA-N -1 0 303.383 3.554 20 0 DHADRM C[C@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000408219935 332320381 /nfs/dbraw/zinc/32/03/81/332320381.db2.gz RNIVMTJQSOYSMA-YUMQZZPRSA-N -1 0 318.200 3.841 20 0 DHADRM CCN(C(=O)CC1CCC(C(=O)[O-])CC1)[C@@H]1CCCC[C@@H]1C ZINC000582124712 332336565 /nfs/dbraw/zinc/33/65/65/332336565.db2.gz POMMKJSYWGGCFF-SLTXQBBLSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccccc2C)C(=O)[O-])c1 ZINC000560463583 332341707 /nfs/dbraw/zinc/34/17/07/332341707.db2.gz XTSQVIVIDIHMCF-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM O=C([O-])CC1(C(=O)NC2CCC3(CCCCC3)CC2)CCC1 ZINC000564979572 332346326 /nfs/dbraw/zinc/34/63/26/332346326.db2.gz VCMYAKWGUJXLNA-UHFFFAOYSA-N -1 0 307.434 3.641 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262135874 332359734 /nfs/dbraw/zinc/35/97/34/332359734.db2.gz MAHNFKAKDLIUFS-CQDKDKBSSA-N -1 0 321.804 3.506 20 0 DHADRM Cc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000237641159 332381561 /nfs/dbraw/zinc/38/15/61/332381561.db2.gz XKKSJDTULOVDDK-HNNXBMFYSA-N -1 0 315.394 3.636 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000262156544 332387180 /nfs/dbraw/zinc/38/71/80/332387180.db2.gz PMTOGKDHFUXYOI-UONOGXRCSA-N -1 0 303.402 3.983 20 0 DHADRM CC(C)c1nc(/C=C\c2scnc2C2CC2)ncc1C(=O)[O-] ZINC000583420755 332398296 /nfs/dbraw/zinc/39/82/96/332398296.db2.gz ORGFCLYUVQUTJH-WAYWQWQTSA-N -1 0 315.398 3.803 20 0 DHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000583425556 332399725 /nfs/dbraw/zinc/39/97/25/332399725.db2.gz KSDDTCUWEWVIMW-HUTJROTASA-N -1 0 310.459 3.903 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000261834734 332468216 /nfs/dbraw/zinc/46/82/16/332468216.db2.gz IGGWZBBMAVPEST-ZDUSSCGKSA-N -1 0 311.381 3.791 20 0 DHADRM CC(C)(C)c1cnc(SCc2nc(=O)c3sccc3[n-]2)o1 ZINC000129943215 332526112 /nfs/dbraw/zinc/52/61/12/332526112.db2.gz AZCXCTLWLAVMJF-UHFFFAOYSA-N -1 0 321.427 3.562 20 0 DHADRM Cc1cc(C)cc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000562397878 332588709 /nfs/dbraw/zinc/58/87/09/332588709.db2.gz XTYHNWVWZWHZHP-UHFFFAOYSA-N -1 0 317.429 3.530 20 0 DHADRM COCCOc1ccc(-c2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000565236422 332652535 /nfs/dbraw/zinc/65/25/35/332652535.db2.gz MTLYVOZBNLSCOS-ZDUSSCGKSA-N -1 0 300.354 3.567 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1csc(C2CC2)n1 ZINC000569947845 332696054 /nfs/dbraw/zinc/69/60/54/332696054.db2.gz JZDZNKSKTNSUCG-UHFFFAOYSA-N -1 0 302.399 3.893 20 0 DHADRM Cc1cccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1Cl ZINC000178800747 333020403 /nfs/dbraw/zinc/02/04/03/333020403.db2.gz GBTIZKGTUCDKLU-UHFFFAOYSA-N -1 0 317.772 3.619 20 0 DHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000179004241 333023364 /nfs/dbraw/zinc/02/33/64/333023364.db2.gz MKLRJMMHEJASSP-UHFFFAOYSA-N -1 0 313.372 3.860 20 0 DHADRM O=C(Nc1ccccc1OCC1CC1)c1cc(F)c([O-])c(F)c1 ZINC000180057555 333026815 /nfs/dbraw/zinc/02/68/15/333026815.db2.gz RKCCOZRYQVBLPT-UHFFFAOYSA-N -1 0 319.307 3.712 20 0 DHADRM CC[C@@H](NC(=O)CC(CC)(CC)C(=O)[O-])c1ccc(OC)cc1 ZINC000010170917 333032125 /nfs/dbraw/zinc/03/21/25/333032125.db2.gz PVZGGWIOIJCGJT-OAHLLOKOSA-N -1 0 321.417 3.544 20 0 DHADRM Cc1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1F ZINC000183400868 333057466 /nfs/dbraw/zinc/05/74/66/333057466.db2.gz IMMSMZTZXKDNDJ-UHFFFAOYSA-N -1 0 307.365 3.888 20 0 DHADRM CC1CCC(N(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)CC1 ZINC000183502471 333058498 /nfs/dbraw/zinc/05/84/98/333058498.db2.gz KPFOSAFNPQIWQW-UHFFFAOYSA-N -1 0 309.356 3.854 20 0 DHADRM CO[C@@H](C)c1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183547597 333058950 /nfs/dbraw/zinc/05/89/50/333058950.db2.gz QHYACNVUOZLHKU-VIFPVBQESA-N -1 0 307.296 3.630 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183584322 333058994 /nfs/dbraw/zinc/05/89/94/333058994.db2.gz XYDBXDOVBDAMJE-NSHDSACASA-N -1 0 305.324 3.778 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183584305 333059144 /nfs/dbraw/zinc/05/91/44/333059144.db2.gz XYDBXDOVBDAMJE-LLVKDONJSA-N -1 0 305.324 3.778 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000320680127 335124676 /nfs/dbraw/zinc/12/46/76/335124676.db2.gz LAWRZKLNJGFICB-BARDWOONSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)c(F)c1 ZINC000582133072 333156904 /nfs/dbraw/zinc/15/69/04/333156904.db2.gz IJZYKYIIOJQAKO-QGZVFWFLSA-N -1 0 300.329 3.504 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000117542439 333206642 /nfs/dbraw/zinc/20/66/42/333206642.db2.gz JMHLTNZBOZXOAI-SOUVJXGZSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000212744871 333278333 /nfs/dbraw/zinc/27/83/33/333278333.db2.gz UBOWVOOPIJNYLW-CYBMUJFWSA-N -1 0 309.793 3.508 20 0 DHADRM Cc1cc(NC(=O)/C=C\SCc2ccco2)ccc1C(=O)[O-] ZINC000492330284 333289898 /nfs/dbraw/zinc/28/98/98/333289898.db2.gz NHMGMBSLXCKOBL-VURMDHGXSA-N -1 0 317.366 3.672 20 0 DHADRM CC(=O)c1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184171726 333343128 /nfs/dbraw/zinc/34/31/28/333343128.db2.gz UOQBCTLZGCLKQW-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM COc1cc(F)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184241488 333351480 /nfs/dbraw/zinc/35/14/80/333351480.db2.gz YZWCYVGBSVTLLY-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184498560 333360647 /nfs/dbraw/zinc/36/06/47/333360647.db2.gz XPEJVZOXGOKEFN-SECBINFHSA-N -1 0 323.751 3.724 20 0 DHADRM C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)c2ccccc21 ZINC000186643450 333375814 /nfs/dbraw/zinc/37/58/14/333375814.db2.gz YZXRVQIFQWVSBK-JTQLQIEISA-N -1 0 303.308 3.824 20 0 DHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000186772465 333378424 /nfs/dbraw/zinc/37/84/24/333378424.db2.gz VMKKDYVIIUFJQL-UHFFFAOYSA-N -1 0 315.800 3.849 20 0 DHADRM Cc1oc2ccc(NC(=O)NCCCCCC(=O)[O-])cc2c1C ZINC000417775832 335140705 /nfs/dbraw/zinc/14/07/05/335140705.db2.gz QAWGQRLEETXMAO-UHFFFAOYSA-N -1 0 318.373 3.816 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc2cccnc21 ZINC000571003637 333477434 /nfs/dbraw/zinc/47/74/34/333477434.db2.gz OTLDMMJOVQKXFM-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM Fc1cccc2c1SCC[C@@H]2N=c1[n-]c(C2CCC2)no1 ZINC000571032400 333482934 /nfs/dbraw/zinc/48/29/34/333482934.db2.gz OWOTZOLJMZBGQW-LBPRGKRZSA-N -1 0 305.378 3.547 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000531744850 333552475 /nfs/dbraw/zinc/55/24/75/333552475.db2.gz RMAHJMGLYDANET-OAHLLOKOSA-N -1 0 303.402 3.608 20 0 DHADRM Cc1ccc(C(=O)[O-])c(-c2cccc(CO[C@H]3CCOC3)c2)c1 ZINC000563436389 333605150 /nfs/dbraw/zinc/60/51/50/333605150.db2.gz JWGFMCVQGGIROO-INIZCTEOSA-N -1 0 312.365 3.666 20 0 DHADRM COc1cccc(-c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1OC ZINC000563550408 333622621 /nfs/dbraw/zinc/62/26/21/333622621.db2.gz REGJCAUERPUHLM-GFCCVEGCSA-N -1 0 300.354 3.634 20 0 DHADRM CC[C@]1(C)C[C@H]1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000563596063 333635374 /nfs/dbraw/zinc/63/53/74/333635374.db2.gz AVFPVTJFSQQHHU-BJOHPYRUSA-N -1 0 323.439 3.713 20 0 DHADRM COCC(C)(C)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000412234707 333741498 /nfs/dbraw/zinc/74/14/98/333741498.db2.gz ZSPHJFPCNFUTMR-UHFFFAOYSA-N -1 0 306.189 3.700 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(C)cc1SC)C(=O)[O-] ZINC000414110935 333904717 /nfs/dbraw/zinc/90/47/17/333904717.db2.gz WOOOQSFJUDSSRT-UHFFFAOYSA-N -1 0 309.431 3.937 20 0 DHADRM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1ncccc1[O-] ZINC000343427680 335163896 /nfs/dbraw/zinc/16/38/96/335163896.db2.gz DOHWHKFEVBSNDL-UHFFFAOYSA-N -1 0 321.308 3.587 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414596185 334033452 /nfs/dbraw/zinc/03/34/52/334033452.db2.gz BMAZCHAENPMQML-BBRMVZONSA-N -1 0 318.417 3.569 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414618119 334042396 /nfs/dbraw/zinc/04/23/96/334042396.db2.gz YQEHTYTXTPKDKZ-QGZVFWFLSA-N -1 0 320.433 3.670 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCC2CC2)c1 ZINC000414639644 334050542 /nfs/dbraw/zinc/05/05/42/334050542.db2.gz PYMKCBSQBZRORP-UHFFFAOYSA-N -1 0 311.381 3.715 20 0 DHADRM CC(C)Cc1ncc(CNc2cccc(CC(=O)[O-])c2)s1 ZINC000414686806 334069111 /nfs/dbraw/zinc/06/91/11/334069111.db2.gz WBQATUJIGBOWNZ-UHFFFAOYSA-N -1 0 304.415 3.581 20 0 DHADRM CC(C)(C)c1cnc(CCC(=O)Nc2cccc(Cl)c2[O-])o1 ZINC000276472102 334079458 /nfs/dbraw/zinc/07/94/58/334079458.db2.gz QNHCQOTXOLJMTA-UHFFFAOYSA-N -1 0 322.792 3.902 20 0 DHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000048655799 334293641 /nfs/dbraw/zinc/29/36/41/334293641.db2.gz RQRIBHXXGMBIGV-UHFFFAOYSA-N -1 0 311.428 3.510 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000048806975 334298747 /nfs/dbraw/zinc/29/87/47/334298747.db2.gz MCNJIHRBBVGPHP-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000048961883 334303394 /nfs/dbraw/zinc/30/33/94/334303394.db2.gz CMAPKSCMROUUAI-NSHDSACASA-N -1 0 311.428 3.726 20 0 DHADRM O=S(=O)(NC[C@@H]1CC=CCC1)c1cccc(Cl)c1Cl ZINC000049282554 334324602 /nfs/dbraw/zinc/32/46/02/334324602.db2.gz NBYRCZOJLBTXKL-SNVBAGLBSA-N -1 0 320.241 3.628 20 0 DHADRM O=C([O-])c1cc(/C=C/c2c(Cl)oc3ccccc23)ncn1 ZINC000534879322 334345161 /nfs/dbraw/zinc/34/51/61/334345161.db2.gz DGEFEEDIABTFEF-AATRIKPKSA-N -1 0 300.701 3.745 20 0 DHADRM Cc1ccc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000111688121 334353690 /nfs/dbraw/zinc/35/36/90/334353690.db2.gz BDHJZQAWTRFTNL-UHFFFAOYSA-N -1 0 300.745 3.995 20 0 DHADRM [O-]c1ccc(-c2nc(CCc3ccccc3)no2)cc1Cl ZINC000111688902 334353967 /nfs/dbraw/zinc/35/39/67/334353967.db2.gz UFCKDWBZRVSJSF-UHFFFAOYSA-N -1 0 300.745 3.881 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000532001614 334368440 /nfs/dbraw/zinc/36/84/40/334368440.db2.gz WVGHEOYSYLALHM-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)o1 ZINC000262344723 334381435 /nfs/dbraw/zinc/38/14/35/334381435.db2.gz URQGKDHFQSJABF-UHFFFAOYSA-N -1 0 301.342 3.511 20 0 DHADRM Cc1ncsc1/C=C\c1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000443436653 338451664 /nfs/dbraw/zinc/45/16/64/338451664.db2.gz ACHGSQFNJJAENM-FPLPWBNLSA-N -1 0 323.377 3.777 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)o1 ZINC000123495248 334736770 /nfs/dbraw/zinc/73/67/70/334736770.db2.gz CDEVXYMSNCIXIG-UHFFFAOYSA-N -1 0 319.382 3.548 20 0 DHADRM CC(C)(C)c1nc(=NC(=O)N2CCCC23CCCCC3)s[n-]1 ZINC000328881201 334763331 /nfs/dbraw/zinc/76/33/31/334763331.db2.gz LBBRMAFOKMEYAT-UHFFFAOYSA-N -1 0 322.478 3.588 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000128676577 334896285 /nfs/dbraw/zinc/89/62/85/334896285.db2.gz 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ZINC000345767443 335350040 /nfs/dbraw/zinc/35/00/40/335350040.db2.gz BRGVGRSEGBKLMM-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)sc1C ZINC000345770051 335350256 /nfs/dbraw/zinc/35/02/56/335350256.db2.gz GSXSIPSWLSKELR-CYBMUJFWSA-N -1 0 323.801 3.574 20 0 DHADRM O=C([O-])[C@@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 ZINC000345770965 335350286 /nfs/dbraw/zinc/35/02/86/335350286.db2.gz HUZFXJOIJXMHIE-HNNXBMFYSA-N -1 0 309.793 3.552 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345816117 335352924 /nfs/dbraw/zinc/35/29/24/335352924.db2.gz XHYFMJQZZMETED-OTYXRUKQSA-N -1 0 315.772 3.547 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345816121 335353044 /nfs/dbraw/zinc/35/30/44/335353044.db2.gz XHYFMJQZZMETED-YMTOWFKASA-N -1 0 315.772 3.547 20 0 DHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000345877046 335357633 /nfs/dbraw/zinc/35/76/33/335357633.db2.gz PGJXHMLZEZHXIB-ZDUSSCGKSA-N -1 0 324.163 3.549 20 0 DHADRM Cc1cscc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000345929429 335361716 /nfs/dbraw/zinc/36/17/16/335361716.db2.gz AAGWAGNPYUPIJF-ZDUSSCGKSA-N -1 0 323.801 3.656 20 0 DHADRM CCn1cc(C(=O)Nc2ccccc2CC(=O)[O-])c2ccccc21 ZINC000346030877 335366778 /nfs/dbraw/zinc/36/67/78/335366778.db2.gz UMXZGPDHSCSLBT-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000345982974 335367609 /nfs/dbraw/zinc/36/76/09/335367609.db2.gz DUJNAKAUTRWADY-ZLDLUXBVSA-N -1 0 323.820 3.798 20 0 DHADRM Cc1ccc(-c2cnc(CN(CC(=O)[O-])c3ccccc3)o2)cc1 ZINC000347352124 335488540 /nfs/dbraw/zinc/48/85/40/335488540.db2.gz OLMSFMVHXYEUNC-UHFFFAOYSA-N -1 0 322.364 3.741 20 0 DHADRM Cc1nn(-c2ccccc2)c(C)c1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000347423166 335495471 /nfs/dbraw/zinc/49/54/71/335495471.db2.gz UIJXWTIWJMYBLT-HJWRWDBZSA-N -1 0 319.364 3.753 20 0 DHADRM COc1ccc(F)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000093547840 335653457 /nfs/dbraw/zinc/65/34/57/335653457.db2.gz 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/nfs/dbraw/zinc/84/34/50/335843450.db2.gz LGUGOHXDABRYTI-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(-c2cnn(C)c2)c1 ZINC000519435177 335849047 /nfs/dbraw/zinc/84/90/47/335849047.db2.gz JLKITUXTBPKRHB-WAYWQWQTSA-N -1 0 319.364 3.659 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)ccc2s1 ZINC000536671051 335857440 /nfs/dbraw/zinc/85/74/40/335857440.db2.gz VFKOKJVAPMZGCN-JYAVWHMHSA-N -1 0 315.394 3.974 20 0 DHADRM CC(C)(CN=c1nc(C(F)(F)F)[n-]s1)c1ccccc1F ZINC000519664528 335888377 /nfs/dbraw/zinc/88/83/77/335888377.db2.gz ULDGVKUPJWKKSP-UHFFFAOYSA-N -1 0 319.327 3.508 20 0 DHADRM CC[C@@H](Cc1ccccc1-c1ccc2ncn(C)c2c1)C(=O)[O-] ZINC000563899478 335931483 /nfs/dbraw/zinc/93/14/83/335931483.db2.gz XWIVIFOGWBARGV-ZDUSSCGKSA-N -1 0 308.381 3.894 20 0 DHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2c([O-])cccc2F)n1 ZINC000331881812 336151617 /nfs/dbraw/zinc/15/16/17/336151617.db2.gz FBZMAYXJAICRTC-LBPRGKRZSA-N -1 0 320.389 3.664 20 0 DHADRM 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O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000321294836 337255427 /nfs/dbraw/zinc/25/54/27/337255427.db2.gz HUSRAIVFSDXDGD-INIZCTEOSA-N -1 0 324.405 3.726 20 0 DHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000024070267 337257779 /nfs/dbraw/zinc/25/77/79/337257779.db2.gz GOISNKOBRSGXBO-UHFFFAOYSA-N -1 0 317.819 3.519 20 0 DHADRM Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C)c(C)c1O ZINC000186829959 337259971 /nfs/dbraw/zinc/25/99/71/337259971.db2.gz YSOSCKHWMFMPIU-UHFFFAOYSA-N -1 0 319.401 3.681 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000583263893 337293033 /nfs/dbraw/zinc/29/30/33/337293033.db2.gz XVPWWALBQNCTHH-IAGOWNOFSA-N -1 0 315.413 3.859 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3)coc2c1 ZINC000013094714 337300135 /nfs/dbraw/zinc/30/01/35/337300135.db2.gz IPFDWUMVDUZVLK-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013166820 337307688 /nfs/dbraw/zinc/30/76/88/337307688.db2.gz 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CCC(CC)(CC(=O)[O-])NC(=O)c1oc2ccc(F)cc2c1C ZINC000262146999 337615491 /nfs/dbraw/zinc/61/54/91/337615491.db2.gz STLJHUDKBIPHAL-UHFFFAOYSA-N -1 0 321.348 3.644 20 0 DHADRM CC(C)(C)CCCCNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262183952 337615859 /nfs/dbraw/zinc/61/58/59/337615859.db2.gz QKJFYMCRTYEEDQ-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000262270675 337616241 /nfs/dbraw/zinc/61/62/41/337616241.db2.gz XXBPYMJUTDMRRV-IBGZPJMESA-N -1 0 323.392 3.585 20 0 DHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1cccc(C)c1 ZINC000262203041 337616406 /nfs/dbraw/zinc/61/64/06/337616406.db2.gz OUYAOUNXZSINAB-UHFFFAOYSA-N -1 0 311.381 3.679 20 0 DHADRM CCc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)oc1CC ZINC000262553336 337619159 /nfs/dbraw/zinc/61/91/59/337619159.db2.gz UIKTZFLOBNBZLO-UHFFFAOYSA-N -1 0 315.369 3.674 20 0 DHADRM Cc1cc2cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])oc2cc1C ZINC000262559693 337619277 /nfs/dbraw/zinc/61/92/77/337619277.db2.gz ZGULLLWXPVQKPD-AWEZNQCLSA-N -1 0 317.385 3.526 20 0 DHADRM CC(C)CC[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262723013 337620865 /nfs/dbraw/zinc/62/08/65/337620865.db2.gz FPCLIXLBAQDBBG-MRXNPFEDSA-N -1 0 317.429 3.745 20 0 DHADRM CC1(CNC(=O)CCc2ccccc2C(=O)[O-])CCCCCC1 ZINC000262818958 337621725 /nfs/dbraw/zinc/62/17/25/337621725.db2.gz PWHQKROVDYGNNL-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM C[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccsc1 ZINC000262834391 337621740 /nfs/dbraw/zinc/62/17/40/337621740.db2.gz BWNNVSJKEGNFHN-GHMZBOCLSA-N -1 0 303.383 3.678 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000262826232 337621820 /nfs/dbraw/zinc/62/18/20/337621820.db2.gz BEDDZKHQYVOWDZ-GOSISDBHSA-N -1 0 323.392 3.541 20 0 DHADRM CC1=C(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CCC1 ZINC000262848752 337621965 /nfs/dbraw/zinc/62/19/65/337621965.db2.gz BEYMZCIOVFBPOA-QGZVFWFLSA-N -1 0 309.365 3.582 20 0 DHADRM Cc1cc(Cl)c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1C ZINC000262882121 337622184 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O=C([O-])Cc1ccccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000263259154 337625881 /nfs/dbraw/zinc/62/58/81/337625881.db2.gz JGYAZCCKJMAXBI-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM CC(C)c1occc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263363608 337626837 /nfs/dbraw/zinc/62/68/37/337626837.db2.gz ZBGKITGCUBQRME-LLVKDONJSA-N -1 0 301.342 3.843 20 0 DHADRM CC(C)Cn1cc(NCc2ccc(C(=O)[O-])cc2)c(C(F)F)n1 ZINC000263412940 337628207 /nfs/dbraw/zinc/62/82/07/337628207.db2.gz MASHPXFBTXIDSR-UHFFFAOYSA-N -1 0 323.343 3.787 20 0 DHADRM C[C@H](CN(C)C(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000263478297 337630091 /nfs/dbraw/zinc/63/00/91/337630091.db2.gz JZZYZMNJOFTRBE-LLVKDONJSA-N -1 0 318.398 3.600 20 0 DHADRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1ccncc1Cl ZINC000263537901 337631513 /nfs/dbraw/zinc/63/15/13/337631513.db2.gz ASDUVTBFJVRCRR-ZDUSSCGKSA-N -1 0 304.777 3.623 20 0 DHADRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1ccncc1Cl ZINC000263537900 337631558 /nfs/dbraw/zinc/63/15/58/337631558.db2.gz ASDUVTBFJVRCRR-CYBMUJFWSA-N -1 0 304.777 3.623 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000263574329 337631662 /nfs/dbraw/zinc/63/16/62/337631662.db2.gz NMKBZMZCYVFQLE-FJBKBRRZSA-N -1 0 323.477 3.989 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421941517 337661358 /nfs/dbraw/zinc/66/13/58/337661358.db2.gz BPWVRUGLNSWJOD-NSHDSACASA-N -1 0 311.784 3.837 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000191355457 337678225 /nfs/dbraw/zinc/67/82/25/337678225.db2.gz DRGQSTLGDAVLFQ-GFCCVEGCSA-N -1 0 307.346 3.718 20 0 DHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000191361612 337678430 /nfs/dbraw/zinc/67/84/30/337678430.db2.gz GPGMRQHVKACGHW-ZDUSSCGKSA-N -1 0 303.383 3.969 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc3c2CCCC3)s1 ZINC000035185607 337741677 /nfs/dbraw/zinc/74/16/77/337741677.db2.gz KCNDOQGTDGFZKM-UHFFFAOYSA-N -1 0 301.367 3.577 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000045198494 337820817 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Cc1cc(F)c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC000424627758 337927250 /nfs/dbraw/zinc/92/72/50/337927250.db2.gz WGWWISXWUBYJDQ-CXAGYDPISA-N -1 0 317.335 3.676 20 0 DHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1c([O-])cccc1F ZINC000122975563 337934195 /nfs/dbraw/zinc/93/41/95/337934195.db2.gz CNGOGZMHWQXBQS-AWEZNQCLSA-N -1 0 315.344 3.517 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000537400700 337935475 /nfs/dbraw/zinc/93/54/75/337935475.db2.gz GQUHHSKQLNXYPQ-PBHICJAKSA-N -1 0 319.445 3.606 20 0 DHADRM O=C([O-])CC1(CC(=O)NC/C=C\c2ccccc2)CCCCC1 ZINC000537570458 337944134 /nfs/dbraw/zinc/94/41/34/337944134.db2.gz OYSXTUYXYOSPCL-YFHOEESVSA-N -1 0 315.413 3.631 20 0 DHADRM CC(C)Oc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000515800629 337998868 /nfs/dbraw/zinc/99/88/68/337998868.db2.gz QWRWLTUBSXXJJU-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C3CCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000516156444 338006568 /nfs/dbraw/zinc/00/65/68/338006568.db2.gz 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ZINC000431155880 338124311 /nfs/dbraw/zinc/12/43/11/338124311.db2.gz ISBMCUCHJHOVGW-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)s1 ZINC000431179198 338125116 /nfs/dbraw/zinc/12/51/16/338125116.db2.gz MIZWOQLGJZGUQU-UHFFFAOYSA-N -1 0 319.810 3.958 20 0 DHADRM CCC(CC)(CC(=O)NC[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC000431184440 338125224 /nfs/dbraw/zinc/12/52/24/338125224.db2.gz UJHFQMRSQVBTLS-INIZCTEOSA-N -1 0 317.429 3.578 20 0 DHADRM CC1(C)CCC(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000431464585 338131338 /nfs/dbraw/zinc/13/13/38/338131338.db2.gz MWEXWBIDSOKXPP-MRXNPFEDSA-N -1 0 303.402 3.535 20 0 DHADRM Cc1cc(NC(=O)c2cnc(C(C)C)s2)cc(C(=O)[O-])c1C ZINC000431664020 338135832 /nfs/dbraw/zinc/13/58/32/338135832.db2.gz JYKAUHXOZADHNU-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431984979 338143226 /nfs/dbraw/zinc/14/32/26/338143226.db2.gz HWBSEUSFXVMJEK-LLVKDONJSA-N -1 0 321.398 3.690 20 0 DHADRM 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3.797 20 0 DHADRM CCOc1c(F)cccc1-c1nc(-c2ccc(O)cc2)no1 ZINC000436568755 338277465 /nfs/dbraw/zinc/27/74/65/338277465.db2.gz ZCOZWJKIFYISRO-UHFFFAOYSA-N -1 0 300.289 3.647 20 0 DHADRM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436576547 338277946 /nfs/dbraw/zinc/27/79/46/338277946.db2.gz LYTUFFSRBXVYND-SKDRFNHKSA-N -1 0 319.298 3.630 20 0 DHADRM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1C ZINC000436578708 338278183 /nfs/dbraw/zinc/27/81/83/338278183.db2.gz XPLJHSPVBYYQJL-PHIMTYICSA-N -1 0 303.789 3.927 20 0 DHADRM O=C(Nc1cccc(OCCF)c1)c1ccc(Cl)cc1[O-] ZINC000436587963 338278572 /nfs/dbraw/zinc/27/85/72/338278572.db2.gz YMZOANRMDWFRTJ-UHFFFAOYSA-N -1 0 309.724 3.646 20 0 DHADRM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436637391 338281012 /nfs/dbraw/zinc/28/10/12/338281012.db2.gz YGRAOVYHRWCTBP-NXEZZACHSA-N -1 0 317.813 3.589 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(C)cccc2C)c1 ZINC000436649773 338281500 /nfs/dbraw/zinc/28/15/00/338281500.db2.gz 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ZINC000436767231 338286649 /nfs/dbraw/zinc/28/66/49/338286649.db2.gz GFZSNSMLTKDUAD-UHFFFAOYSA-N -1 0 321.804 3.696 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1c([O-])cccc1F ZINC000436784027 338287339 /nfs/dbraw/zinc/28/73/39/338287339.db2.gz JURLCZWWWUDADA-DZGCQCFKSA-N -1 0 313.372 3.940 20 0 DHADRM O=C(NC[C@@H]1CCSC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811835 338288220 /nfs/dbraw/zinc/28/82/20/338288220.db2.gz KTDACBDWRDLPTH-JTQLQIEISA-N -1 0 321.829 3.682 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000436815158 338288244 /nfs/dbraw/zinc/28/82/44/338288244.db2.gz NBXGHNOZTZQIFB-HIFRSBDPSA-N -1 0 313.372 3.858 20 0 DHADRM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436822083 338288689 /nfs/dbraw/zinc/28/86/89/338288689.db2.gz NGQDCLWFSFZHSK-ZETCQYMHSA-N -1 0 311.250 3.521 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccs2)c1 ZINC000436832241 338288994 /nfs/dbraw/zinc/28/89/94/338288994.db2.gz HKDWQMCEJAHOGK-UHFFFAOYSA-N -1 0 317.410 3.963 20 0 DHADRM O=C(NC1(C(F)F)CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436854922 338290068 /nfs/dbraw/zinc/29/00/68/338290068.db2.gz HVBDXGNTJINTIQ-UHFFFAOYSA-N -1 0 321.726 3.883 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(C2CCC2)C1 ZINC000436862285 338290376 /nfs/dbraw/zinc/29/03/76/338290376.db2.gz FAZCOBMJNYUYGE-UHFFFAOYSA-N -1 0 300.185 3.571 20 0 DHADRM COc1ccc([C@@H](NC(=O)c2ccc(O)c(C)c2)C2CC2)cc1 ZINC000436898246 338292469 /nfs/dbraw/zinc/29/24/69/338292469.db2.gz XERDPXZMAGCKJE-SFHVURJKSA-N -1 0 311.381 3.590 20 0 DHADRM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436900684 338292708 /nfs/dbraw/zinc/29/27/08/338292708.db2.gz IXQACWXCBGGKCO-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436909620 338293068 /nfs/dbraw/zinc/29/30/68/338293068.db2.gz MEXWZACBYMOGFW-NHYWBVRUSA-N -1 0 319.763 3.546 20 0 DHADRM CCSCc1cccc(NC(=O)c2cccc(OC)c2O)c1 ZINC000436914199 338293200 /nfs/dbraw/zinc/29/32/00/338293200.db2.gz IRCYKQFBRCOOKR-UHFFFAOYSA-N -1 0 317.410 3.906 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000436936255 338294409 /nfs/dbraw/zinc/29/44/09/338294409.db2.gz AJLXCAPMYSDJAK-UHFFFAOYSA-N -1 0 312.716 3.639 20 0 DHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2c([O-])cccc2F)c1 ZINC000436942900 338295038 /nfs/dbraw/zinc/29/50/38/338295038.db2.gz CULAUVGGBRMKCC-CYBMUJFWSA-N -1 0 301.361 3.981 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000436955601 338295667 /nfs/dbraw/zinc/29/56/67/338295667.db2.gz GVDAXHKCWUNFLS-LBPRGKRZSA-N -1 0 319.763 3.814 20 0 DHADRM CC(C)n1nccc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436959505 338295912 /nfs/dbraw/zinc/29/59/12/338295912.db2.gz ADHQLXBUCZMNPB-UHFFFAOYSA-N -1 0 314.172 3.729 20 0 DHADRM C[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C ZINC000436962857 338296151 /nfs/dbraw/zinc/29/61/51/338296151.db2.gz MTKIATCLFXNRDW-DTWKUNHWSA-N -1 0 302.201 3.817 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436969631 338296299 /nfs/dbraw/zinc/29/62/99/338296299.db2.gz ZMAQGDYJZOJYFQ-UHFFFAOYSA-N -1 0 309.337 3.953 20 0 DHADRM CCCn1c2ccccc2nc1NC(=O)c1c([O-])cccc1F ZINC000436976302 338296506 /nfs/dbraw/zinc/29/65/06/338296506.db2.gz BNVZYPKWDCKDSA-UHFFFAOYSA-N -1 0 313.332 3.543 20 0 DHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000436987436 338296825 /nfs/dbraw/zinc/29/68/25/338296825.db2.gz IYQDCANLNBZHLW-FRRDWIJNSA-N -1 0 317.429 3.612 20 0 DHADRM CCCCOc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c(O)c1 ZINC000436988400 338296880 /nfs/dbraw/zinc/29/68/80/338296880.db2.gz OZLLWZCOWJQWPN-OAHLLOKOSA-N -1 0 317.429 3.999 20 0 DHADRM CCc1cnccc1[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436993004 338296915 /nfs/dbraw/zinc/29/69/15/338296915.db2.gz ZTUSHGFTLBQUSD-SECBINFHSA-N -1 0 322.767 3.633 20 0 DHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1c([O-])cccc1F ZINC000436988789 338296970 /nfs/dbraw/zinc/29/69/70/338296970.db2.gz MOTOBQIZDSPZFK-WDEREUQCSA-N -1 0 317.335 3.818 20 0 DHADRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([O-])c(Cl)c1 ZINC000437007845 338297490 /nfs/dbraw/zinc/29/74/90/338297490.db2.gz XGPXLUCFQNHJDE-MQMHXKEQSA-N -1 0 319.763 3.861 20 0 DHADRM COc1ccc(C)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000159299099 338522832 /nfs/dbraw/zinc/52/28/32/338522832.db2.gz HNZMLNIYCWVAPH-UHFFFAOYSA-N -1 0 309.724 3.754 20 0 DHADRM O=C(Nc1ncccc1O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880542 338354654 /nfs/dbraw/zinc/35/46/54/338354654.db2.gz ISLSABJWBGKNBN-NEPJUHHUSA-N -1 0 323.179 3.836 20 0 DHADRM CC(C)[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000439227251 338364246 /nfs/dbraw/zinc/36/42/46/338364246.db2.gz YMIMVLBAWVCXBA-ZDUSSCGKSA-N -1 0 317.458 3.636 20 0 DHADRM Cc1cccn2c(/C=C\c3nc4cc(C(=O)[O-])ccc4o3)cnc12 ZINC000439271276 338365596 /nfs/dbraw/zinc/36/55/96/338365596.db2.gz IRBTYCWUPNAEHU-ALCCZGGFSA-N -1 0 319.320 3.653 20 0 DHADRM O=C([O-])c1ccc2oc(/C=C\c3ccc4c(c3)CCO4)nc2c1 ZINC000439279600 338365829 /nfs/dbraw/zinc/36/58/29/338365829.db2.gz 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338380702 /nfs/dbraw/zinc/38/07/02/338380702.db2.gz IUKULZIBXDPOCY-OAHLLOKOSA-N -1 0 323.820 3.802 20 0 DHADRM CCSc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000439923529 338380929 /nfs/dbraw/zinc/38/09/29/338380929.db2.gz NDKMZCXQLLCLHA-CYBMUJFWSA-N -1 0 321.442 3.516 20 0 DHADRM COc1c(C)cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000439925090 338380999 /nfs/dbraw/zinc/38/09/99/338380999.db2.gz APHATBKQOKBVLY-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440278613 338385105 /nfs/dbraw/zinc/38/51/05/338385105.db2.gz DVHIGNMXIWJQNB-UHFFFAOYSA-N -1 0 311.353 3.691 20 0 DHADRM CC(C)n1cc2ccc(NC(=O)c3ccc(F)cc3[O-])cc2n1 ZINC000442265694 338423045 /nfs/dbraw/zinc/42/30/45/338423045.db2.gz KZEHGXFMUSFEER-UHFFFAOYSA-N -1 0 313.332 3.714 20 0 DHADRM O=C(c1ccc(F)cc1[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000447613896 338562096 /nfs/dbraw/zinc/56/20/96/338562096.db2.gz GCCKBUABLIEKTH-UHFFFAOYSA-N -1 0 317.335 3.632 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000447895446 338570744 /nfs/dbraw/zinc/57/07/44/338570744.db2.gz YOPHVAWMCBLZBI-GDBMZVCRSA-N -1 0 305.418 3.843 20 0 DHADRM CCCC[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000450503822 338688325 /nfs/dbraw/zinc/68/83/25/338688325.db2.gz WPHNRKDZDAKTCK-HUUCEWRRSA-N -1 0 305.418 3.562 20 0 DHADRM CCc1oc(C(=O)N[C@@H](C)c2c(C)cccc2C)cc1C(=O)[O-] ZINC000450536726 338689889 /nfs/dbraw/zinc/68/98/89/338689889.db2.gz ATYMGCSEFVSSMK-LBPRGKRZSA-N -1 0 315.369 3.648 20 0 DHADRM COCc1nc(=N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951272 338713998 /nfs/dbraw/zinc/71/39/98/338713998.db2.gz PJTRUFKMCFHILB-AAEUAGOBSA-N -1 0 323.849 3.508 20 0 DHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451101842 338721149 /nfs/dbraw/zinc/72/11/49/338721149.db2.gz GNBVXAZIEOSQEG-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195503980 338903500 /nfs/dbraw/zinc/90/35/00/338903500.db2.gz JZNWBMRWFDOBPC-UHFFFAOYSA-N -1 0 317.410 3.509 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000455799868 338909140 /nfs/dbraw/zinc/90/91/40/338909140.db2.gz SPJPCIOTWGXQPI-ZDUSSCGKSA-N -1 0 311.809 3.658 20 0 DHADRM CCCCCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455932531 338914947 /nfs/dbraw/zinc/91/49/47/338914947.db2.gz QGQSKFVEAMPWCV-CYBMUJFWSA-N -1 0 317.307 3.685 20 0 DHADRM CC(C)CC(C)(C)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455939534 338914993 /nfs/dbraw/zinc/91/49/93/338914993.db2.gz ZDJAJSXFKJNLDS-ZBFHGGJFSA-N -1 0 319.445 3.507 20 0 DHADRM CC(C)[C@H]1CN(C(=O)c2c([O-])cccc2F)c2ccccc2N1 ZINC000164292304 338933088 /nfs/dbraw/zinc/93/30/88/338933088.db2.gz MQPVEXMGGPALKW-CQSZACIVSA-N -1 0 314.360 3.628 20 0 DHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCC[C@@H](C)C1 ZINC000456994561 338947800 /nfs/dbraw/zinc/94/78/00/338947800.db2.gz HDWXMFCHNROONA-UTLUCORTSA-N -1 0 315.335 3.754 20 0 DHADRM O=S(=O)([N-]c1cccc(C2CCC2)c1)c1cncc(Cl)c1 ZINC000461333243 339062041 /nfs/dbraw/zinc/06/20/41/339062041.db2.gz MPIHRYXGOCDJFL-UHFFFAOYSA-N -1 0 322.817 3.803 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN=c1nc(-c2ccccc2)[n-]s1 ZINC000462793938 339089120 /nfs/dbraw/zinc/08/91/20/339089120.db2.gz WXDSPMUXJVCFOV-UKRRQHHQSA-N -1 0 317.458 3.634 20 0 DHADRM Cc1nc(=N[C@@H]2CCOc3c(-c4ccccc4)cccc32)s[n-]1 ZINC000462819509 339091772 /nfs/dbraw/zinc/09/17/72/339091772.db2.gz TYBVTLNBJJFREZ-MRXNPFEDSA-N -1 0 323.421 3.871 20 0 DHADRM CC(C)Cn1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cn1 ZINC000463346078 339115381 /nfs/dbraw/zinc/11/53/81/339115381.db2.gz RDQKHARBYOCYOJ-ZZXKWVIFSA-N -1 0 321.380 3.956 20 0 DHADRM CC(C)Cn1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)cn1 ZINC000463346077 339115385 /nfs/dbraw/zinc/11/53/85/339115385.db2.gz RDQKHARBYOCYOJ-UTCJRWHESA-N -1 0 321.380 3.956 20 0 DHADRM Cc1nc(=NC(=O)CCCc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000464417262 339141702 /nfs/dbraw/zinc/14/17/02/339141702.db2.gz GPJHBRPRULGBRT-UHFFFAOYSA-N -1 0 317.458 3.527 20 0 DHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1 ZINC000467440934 339238750 /nfs/dbraw/zinc/23/87/50/339238750.db2.gz ZEYAXJMCPAKPKW-UHFFFAOYSA-N -1 0 318.442 3.878 20 0 DHADRM CCOc1nc2cc(C(=O)Nc3ccc(F)cc3C)ccc2[nH]1 ZINC000468968381 339276242 /nfs/dbraw/zinc/27/62/42/339276242.db2.gz ORLAHMRMHUJUSP-UHFFFAOYSA-N -1 0 313.332 3.661 20 0 DHADRM CCCOc1cc(/C=C/c2cc(C(=O)[O-])ccn2)ccc1OC ZINC000470262566 339315531 /nfs/dbraw/zinc/31/55/31/339315531.db2.gz GIUJFJJKTNOACP-GQCTYLIASA-N -1 0 313.353 3.748 20 0 DHADRM COc1cccc([C@@H](C)Sc2nc(C3CC3)cc(=O)[nH]2)c1 ZINC000470439584 339319780 /nfs/dbraw/zinc/31/97/80/339319780.db2.gz XBUCZKHOYGONGH-SNVBAGLBSA-N -1 0 302.399 3.922 20 0 DHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000470454692 339320140 /nfs/dbraw/zinc/32/01/40/339320140.db2.gz CQFBVCAGFDJELY-UHFFFAOYSA-N -1 0 323.389 3.724 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)sc1Cl ZINC000473398236 339384864 /nfs/dbraw/zinc/38/48/64/339384864.db2.gz GUKCWPCIKHUHNT-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM CCC[C@H](CC)NC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473820121 339392712 /nfs/dbraw/zinc/39/27/12/339392712.db2.gz BLRHEAIZIJVVHH-JTQLQIEISA-N -1 0 324.475 3.697 20 0 DHADRM C[C@H](Oc1cccc(/C=C\c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000477134735 339487728 /nfs/dbraw/zinc/48/77/28/339487728.db2.gz OOKIEADJOIIYDN-PRDAAYKISA-N -1 0 309.321 3.850 20 0 DHADRM CC[C@H](C)n1ncc(N=c2nc(-c3ccccc3)[n-]s2)c1C ZINC000477687759 339499058 /nfs/dbraw/zinc/49/90/58/339499058.db2.gz BNIORJVCNQQKHB-NSHDSACASA-N -1 0 313.430 3.847 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)[C@H]2C[C@]2(C)C(C)C)s[n-]1 ZINC000483388445 339663590 /nfs/dbraw/zinc/66/35/90/339663590.db2.gz DANXFGPWXVMCSX-MEBBXXQBSA-N -1 0 321.471 3.618 20 0 DHADRM Cc1cc(NC(=O)C/C=C\c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000485832668 339714025 /nfs/dbraw/zinc/71/40/25/339714025.db2.gz RMTVDXTUSNSIFO-IHWYPQMZSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1cc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc(C(=O)[O-])c1C ZINC000485951996 339716957 /nfs/dbraw/zinc/71/69/57/339716957.db2.gz 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CCCCOc1ccccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179954926 520916417 /nfs/dbraw/zinc/91/64/17/520916417.db2.gz PHPGRKMCUQQIAH-KBPBESRZSA-N -1 0 319.401 3.695 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)c1sccc1-c1ccc(C)cc1 ZINC000236824742 520987544 /nfs/dbraw/zinc/98/75/44/520987544.db2.gz LOLLRYHPKGQZNO-UHFFFAOYSA-N -1 0 317.410 3.660 20 0 DHADRM CCC[C@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000236999425 521008913 /nfs/dbraw/zinc/00/89/13/521008913.db2.gz DVJNBLNYEJLAKV-LBPRGKRZSA-N -1 0 309.431 3.769 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Cl)cc1Cl ZINC000262189971 521387749 /nfs/dbraw/zinc/38/77/49/521387749.db2.gz PTDJCIBGGGBUMT-UHFFFAOYSA-N -1 0 318.200 3.757 20 0 DHADRM CCSCc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC000236856340 521717799 /nfs/dbraw/zinc/71/77/99/521717799.db2.gz FXGFFDIIARIPGP-UHFFFAOYSA-N -1 0 323.458 3.513 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191444567 521999220 /nfs/dbraw/zinc/99/92/20/521999220.db2.gz HGDFHOBUOVFNRE-NSHDSACASA-N -1 0 317.410 3.826 20 0 DHADRM CCn1c2ccccc2c2cc(NC(=O)C3(C(=O)[O-])CC3)ccc21 ZINC000154765132 523275643 /nfs/dbraw/zinc/27/56/43/523275643.db2.gz MRDBLMRSEFXUII-UHFFFAOYSA-N -1 0 322.364 3.618 20 0 DHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@@H]1CCSC1 ZINC000179997574 523919013 /nfs/dbraw/zinc/91/90/13/523919013.db2.gz PZMSKXNYQCVZGI-SNVBAGLBSA-N -1 0 321.829 3.776 20 0 DHADRM Cc1ccc(CCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237691360 524307234 /nfs/dbraw/zinc/30/72/34/524307234.db2.gz STEIJQZNFJTUPR-KRWDZBQOSA-N -1 0 317.429 3.564 20 0 DHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nc(C3CC3)cs2)c1 ZINC000337142310 524395064 /nfs/dbraw/zinc/39/50/64/524395064.db2.gz TYYLFOFHJDPNSE-UHFFFAOYSA-N -1 0 322.455 3.579 20 0 DHADRM C[C@H]1C[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])CC(C)(C)C1 ZINC000262763031 524772380 /nfs/dbraw/zinc/77/23/80/524772380.db2.gz LEQJAMGQOUMECY-GXTWGEPZSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C[C@H]2CC[C@@H]1O2 ZINC000189899757 525217654 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O=C([O-])[C@@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000263431238 598219665 /nfs/dbraw/zinc/21/96/65/598219665.db2.gz SFRRGPCOYBNRNJ-HNNXBMFYSA-N -1 0 316.426 3.716 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)NCCCCCCC(=O)[O-])c1 ZINC000738364704 599702473 /nfs/dbraw/zinc/70/24/73/599702473.db2.gz ZFQOGELWGTZUKF-HNNXBMFYSA-N -1 0 320.433 3.699 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000479386461 599703674 /nfs/dbraw/zinc/70/36/74/599703674.db2.gz HQHAAYUZJVNQPJ-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736352475 599704197 /nfs/dbraw/zinc/70/41/97/599704197.db2.gz CWQUATXEJYAESA-SNVBAGLBSA-N -1 0 324.446 3.833 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736659527 599705296 /nfs/dbraw/zinc/70/52/96/599705296.db2.gz VWDPBDVJYZARFL-SNVBAGLBSA-N -1 0 318.760 3.921 20 0 DHADRM CCN(Cc1cccs1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737108199 599707473 /nfs/dbraw/zinc/70/74/73/599707473.db2.gz 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ZINC000739216251 599802747 /nfs/dbraw/zinc/80/27/47/599802747.db2.gz QICVABFPDPPSDZ-FPLPWBNLSA-N -1 0 324.361 3.646 20 0 DHADRM Cc1cccc(CSCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000036977673 599803112 /nfs/dbraw/zinc/80/31/12/599803112.db2.gz KXDNLFOLYNSQAT-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM CCCCn1c(C)c(C)nc1SCc1cc(C(=O)[O-])co1 ZINC000737008158 599803721 /nfs/dbraw/zinc/80/37/21/599803721.db2.gz DNZRYFSYGJWTHH-UHFFFAOYSA-N -1 0 308.403 3.884 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2c(C)cccc2C1 ZINC000738531542 599805287 /nfs/dbraw/zinc/80/52/87/599805287.db2.gz AJNOCNQFSBSNGZ-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM C[C@H](NC(=S)Nc1cc(C(=O)[O-])ccc1F)c1cccs1 ZINC000736660326 599805407 /nfs/dbraw/zinc/80/54/07/599805407.db2.gz HMZUZTZBHZYLAA-QMMMGPOBSA-N -1 0 324.402 3.633 20 0 DHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000728208298 599808908 /nfs/dbraw/zinc/80/89/08/599808908.db2.gz FXVSTYUVLUOQCW-AWEZNQCLSA-N -1 0 319.307 3.570 20 0 DHADRM Cc1cc(OCc2cccc(F)c2)ccc1N[C@H](C)C(=O)[O-] ZINC000738239872 599815409 /nfs/dbraw/zinc/81/54/09/599815409.db2.gz NEPKHPVAPJSJAC-GFCCVEGCSA-N -1 0 303.333 3.598 20 0 DHADRM CC(C)(C)CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736249151 599816857 /nfs/dbraw/zinc/81/68/57/599816857.db2.gz QQTZMVIDGCMYHH-UHFFFAOYSA-N -1 0 310.369 3.862 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737100697 599818858 /nfs/dbraw/zinc/81/88/58/599818858.db2.gz GJXQLJLTLXUHHZ-UHFFFAOYSA-N -1 0 319.283 3.583 20 0 DHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000738593871 599820115 /nfs/dbraw/zinc/82/01/15/599820115.db2.gz DCDZSWYIHAJQTI-UHFFFAOYSA-N -1 0 319.386 3.810 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738442744 599821655 /nfs/dbraw/zinc/82/16/55/599821655.db2.gz QCNTWSZNDMFBBD-KRWDZBQOSA-N -1 0 324.380 3.811 20 0 DHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322633967 599824242 /nfs/dbraw/zinc/82/42/42/599824242.db2.gz 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C[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736784614 600456327 /nfs/dbraw/zinc/45/63/27/600456327.db2.gz LEUHLRPEMGVGIZ-JTQLQIEISA-N -1 0 309.341 3.712 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361607 600466334 /nfs/dbraw/zinc/46/63/34/600466334.db2.gz JVSORJGPAJXZJA-ZIAGYGMSSA-N -1 0 323.458 3.987 20 0 DHADRM O=C([O-])c1coc(COC(=O)CC/C=C\c2ccccc2)c1 ZINC000739234392 600466369 /nfs/dbraw/zinc/46/63/69/600466369.db2.gz DZHNUKKDCXKNLW-YWEYNIOJSA-N -1 0 300.310 3.515 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000736904991 600466397 /nfs/dbraw/zinc/46/63/97/600466397.db2.gz ODBSPHXLQLNZGD-QGZVFWFLSA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000736904989 600466445 /nfs/dbraw/zinc/46/64/45/600466445.db2.gz ODBSPHXLQLNZGD-KRWDZBQOSA-N -1 0 317.429 3.706 20 0 DHADRM CC1CCC(=CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000139294775 600467595 /nfs/dbraw/zinc/46/75/95/600467595.db2.gz 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ZINC000736893205 600596329 /nfs/dbraw/zinc/59/63/29/600596329.db2.gz ZPLPWKVKSCWBIO-NWDGAFQWSA-N -1 0 309.431 3.593 20 0 DHADRM Cc1nn(-c2ccccc2)c(Cl)c1CSC[C@@H](C)C(=O)[O-] ZINC000738903342 600600678 /nfs/dbraw/zinc/60/06/78/600600678.db2.gz SRSXCFWVMOGFGK-SNVBAGLBSA-N -1 0 324.833 3.788 20 0 DHADRM COC(=O)c1sc2ccccc2c1CSC[C@H](C)C(=O)[O-] ZINC000737723240 600601582 /nfs/dbraw/zinc/60/15/82/600601582.db2.gz HIYZGOVJULETCD-VIFPVBQESA-N -1 0 324.423 3.642 20 0 DHADRM Cc1ccc(-c2noc([C@@H](C)SC[C@H](C)C(=O)[O-])n2)cc1F ZINC000738494503 600602174 /nfs/dbraw/zinc/60/21/74/600602174.db2.gz MYIZRHZTAMDARQ-VHSXEESVSA-N -1 0 324.377 3.699 20 0 DHADRM O=C([O-])CN(C(=O)CCCC1CCCCC1)c1ccccc1 ZINC000315132777 600603354 /nfs/dbraw/zinc/60/33/54/600603354.db2.gz UYSCZFRXKIKJAS-UHFFFAOYSA-N -1 0 303.402 3.855 20 0 DHADRM Cc1ccc(-c2nnc([C@H](C)SC[C@H](C)C(=O)[O-])o2)cc1 ZINC000738491405 600605807 /nfs/dbraw/zinc/60/58/07/600605807.db2.gz WNOLUYKCZPWKHT-QWRGUYRKSA-N -1 0 306.387 3.560 20 0 DHADRM CCc1cccc(CC)c1NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000737266691 600606246 /nfs/dbraw/zinc/60/62/46/600606246.db2.gz HCQCRYOGYKGJET-VXGBXAGGSA-N -1 0 323.458 3.592 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000237513888 600607984 /nfs/dbraw/zinc/60/79/84/600607984.db2.gz WQYAWJIZCGELKP-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC000237541328 600608020 /nfs/dbraw/zinc/60/80/20/600608020.db2.gz MIXTVBAQMLVUAK-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC000263281669 600609268 /nfs/dbraw/zinc/60/92/68/600609268.db2.gz OPLPTBJDEGKBTO-LBPRGKRZSA-N -1 0 307.390 3.551 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1ccc2ccccc2c1 ZINC000736428886 600614329 /nfs/dbraw/zinc/61/43/29/600614329.db2.gz WSYFEFVIARYPTD-INIZCTEOSA-N -1 0 315.369 3.565 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000738692152 600620343 /nfs/dbraw/zinc/62/03/43/600620343.db2.gz 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/nfs/dbraw/zinc/00/58/70/601005870.db2.gz UQVORKSFYIQPQR-NSHDSACASA-N -1 0 316.332 3.682 20 0 DHADRM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000316043843 601011985 /nfs/dbraw/zinc/01/19/85/601011985.db2.gz WIYJFLPLORDZRP-RKDXNWHRSA-N -1 0 314.332 3.609 20 0 DHADRM Cc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219107 601012330 /nfs/dbraw/zinc/01/23/30/601012330.db2.gz GSJGCNMWVFQNPI-ZBFHGGJFSA-N -1 0 303.333 3.690 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cccc(C(=O)[O-])c1C)SC ZINC000389928901 601014806 /nfs/dbraw/zinc/01/48/06/601014806.db2.gz VKYAOYGLQVHLPX-UHFFFAOYSA-N -1 0 324.446 3.737 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736217589 601019340 /nfs/dbraw/zinc/01/93/40/601019340.db2.gz YXTDEQIVTBZOMH-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000833286763 601021585 /nfs/dbraw/zinc/02/15/85/601021585.db2.gz WCJXFHYKCUGIIE-UHFFFAOYSA-N -1 0 303.362 3.575 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)/C=C/Sc1ccccc1 ZINC000739891068 601023503 /nfs/dbraw/zinc/02/35/03/601023503.db2.gz BCPYZMLISZSIMM-ZHACJKMWSA-N -1 0 314.362 3.525 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000736776556 601041769 /nfs/dbraw/zinc/04/17/69/601041769.db2.gz WBGAJUTTYPEAIA-GHMZBOCLSA-N -1 0 322.430 3.553 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000829245907 601044896 /nfs/dbraw/zinc/04/48/96/601044896.db2.gz RVXIBVAEGYKWMH-XHDPSFHLSA-N -1 0 322.380 3.956 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736984536 601052285 /nfs/dbraw/zinc/05/22/85/601052285.db2.gz LWXCEBJGKUCMQA-GFCCVEGCSA-N -1 0 309.406 3.851 20 0 DHADRM Cc1ccccc1-c1noc([C@H](C)Oc2ccc(C(=O)[O-])cc2)n1 ZINC000832973755 601055582 /nfs/dbraw/zinc/05/55/82/601055582.db2.gz CHPDFTGTIZSYFN-LBPRGKRZSA-N -1 0 324.336 3.883 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000833350907 601057747 /nfs/dbraw/zinc/05/77/47/601057747.db2.gz GXMROTNGCMUCME-OAHLLOKOSA-N -1 0 314.268 3.555 20 0 DHADRM O=C([O-])[C@H](OC(=O)CCC1CCCCC1)c1ccccc1F ZINC000833096902 601059751 /nfs/dbraw/zinc/05/97/51/601059751.db2.gz YDNLMXLNLUYBIT-MRXNPFEDSA-N -1 0 308.349 3.855 20 0 DHADRM Cc1ccc(NC(=O)c2cc3occc3s2)cc1C(=O)[O-] ZINC000832947696 601063993 /nfs/dbraw/zinc/06/39/93/601063993.db2.gz ATGIQMFFKGTNPH-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM CCC(C)(C)CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828609073 601066659 /nfs/dbraw/zinc/06/66/59/601066659.db2.gz LRGZLPJWOFABBU-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(C)(C)C ZINC000322099072 601087000 /nfs/dbraw/zinc/08/70/00/601087000.db2.gz VLFIYAIYGKTBHN-GFCCVEGCSA-N -1 0 320.433 3.853 20 0 DHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000321351264 601090034 /nfs/dbraw/zinc/09/00/34/601090034.db2.gz XDBRDPNBXSDPHB-ZDUSSCGKSA-N -1 0 318.417 3.703 20 0 DHADRM Cc1ccsc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000621581460 601091165 /nfs/dbraw/zinc/09/11/65/601091165.db2.gz QYWUHTJKEHOGSR-KBPBESRZSA-N -1 0 321.442 3.552 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(C)C ZINC000316678403 601091226 /nfs/dbraw/zinc/09/12/26/601091226.db2.gz ATRSEMZQVXAYSG-CQSZACIVSA-N -1 0 306.406 3.605 20 0 DHADRM Cn1ccc2ccc(NC(=O)Nc3cccc(NC(=O)[O-])c3)cc21 ZINC000833056378 601098651 /nfs/dbraw/zinc/09/86/51/601098651.db2.gz QATJDROCNRVEBP-UHFFFAOYSA-N -1 0 324.340 3.912 20 0 DHADRM O=C([O-])[C@H](OC(=O)CCCc1ccccc1)c1ccccc1F ZINC000833098530 601108794 /nfs/dbraw/zinc/10/87/94/601108794.db2.gz VKTFODNCPRLILI-QGZVFWFLSA-N -1 0 316.328 3.518 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000828244808 601122034 /nfs/dbraw/zinc/12/20/34/601122034.db2.gz DDLMCVVLTRIDOB-XHBSWPGZSA-N -1 0 308.349 3.711 20 0 DHADRM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828060022 601127628 /nfs/dbraw/zinc/12/76/28/601127628.db2.gz AFTSRIKPLHYMFO-GFCCVEGCSA-N -1 0 309.341 3.616 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C(C)(C)C1 ZINC000380403380 601133253 /nfs/dbraw/zinc/13/32/53/601133253.db2.gz RRBNQKSKMARSCQ-VIFPVBQESA-N -1 0 310.781 3.691 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000315986523 601136775 /nfs/dbraw/zinc/13/67/75/601136775.db2.gz HMDJALWXBHCHOQ-NSHDSACASA-N -1 0 318.398 3.980 20 0 DHADRM CCN(C(=O)c1cc(C)c(F)cc1F)c1ccccc1C(=O)[O-] ZINC000829601889 601138548 /nfs/dbraw/zinc/13/85/48/601138548.db2.gz CWJMQURUXGTHGY-UHFFFAOYSA-N -1 0 319.307 3.638 20 0 DHADRM Cc1ccc(CCCC(=O)Oc2ccc(C(=O)[O-])cc2)s1 ZINC000832930894 601145549 /nfs/dbraw/zinc/14/55/49/601145549.db2.gz RSWNLUDTTNSESE-UHFFFAOYSA-N -1 0 304.367 3.683 20 0 DHADRM Cc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000832946543 601146361 /nfs/dbraw/zinc/14/63/61/601146361.db2.gz IPDRNGGICVTSQE-UHFFFAOYSA-N -1 0 310.353 3.504 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000832877992 601146700 /nfs/dbraw/zinc/14/67/00/601146700.db2.gz NRUHZAUVXCSMKB-NWDGAFQWSA-N -1 0 309.793 3.786 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000237700367 601146934 /nfs/dbraw/zinc/14/69/34/601146934.db2.gz OGZUHTLCYGEAGR-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccc(C(F)(F)F)cc2)C1 ZINC000833186184 601147507 /nfs/dbraw/zinc/14/75/07/601147507.db2.gz BFVFGSTXQLIILK-VHSXEESVSA-N -1 0 316.275 3.502 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC000832930410 601148180 /nfs/dbraw/zinc/14/81/80/601148180.db2.gz MCSOKRBOHROELE-UHFFFAOYSA-N -1 0 309.412 3.778 20 0 DHADRM CCSc1ccccc1OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830174398 601157749 /nfs/dbraw/zinc/15/77/49/601157749.db2.gz JKFHLYMCCAGTLJ-NWDGAFQWSA-N -1 0 308.399 3.595 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1 ZINC000237601856 601162656 /nfs/dbraw/zinc/16/26/56/601162656.db2.gz UKFSJXJMIFHEAQ-RMCBBKKWSA-N -1 0 315.413 3.701 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)CCCN(C)C(=O)[O-])C(C)(C)C ZINC000832982146 601168807 /nfs/dbraw/zinc/16/88/07/601168807.db2.gz OOVWDBXGXPPKIZ-MRXNPFEDSA-N -1 0 320.433 3.588 20 0 DHADRM C/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828535218 601174984 /nfs/dbraw/zinc/17/49/84/601174984.db2.gz YRWNYJCQTPJFMO-UFVHFEBBSA-N -1 0 303.141 3.629 20 0 DHADRM CSc1ccc(C)c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000315379775 601185473 /nfs/dbraw/zinc/18/54/73/601185473.db2.gz MTVIBZORUXMMTI-UHFFFAOYSA-N -1 0 321.442 3.624 20 0 DHADRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cnc2ccccc12 ZINC000832854138 601188996 /nfs/dbraw/zinc/18/89/96/601188996.db2.gz UPCPUJIEMXEYAN-KRWDZBQOSA-N -1 0 321.332 3.526 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000320988525 601191495 /nfs/dbraw/zinc/19/14/95/601191495.db2.gz OXFPASDOAKLSHX-UHFFFAOYSA-N -1 0 320.433 3.992 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000825941771 601192498 /nfs/dbraw/zinc/19/24/98/601192498.db2.gz BMCDVJYEBCOODK-DGCLKSJQSA-N -1 0 318.369 3.709 20 0 DHADRM CCCC[C@H](CCC)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829286485 601193301 /nfs/dbraw/zinc/19/33/01/601193301.db2.gz ULFKSYGZSSAKJL-AWEZNQCLSA-N -1 0 321.421 3.935 20 0 DHADRM CCS[C@@H]1CCC[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1 ZINC000830158480 601208915 /nfs/dbraw/zinc/20/89/15/601208915.db2.gz WLHYFXHQMPIMDZ-HTQZYQBOSA-N -1 0 320.867 3.971 20 0 DHADRM Cc1ccccc1OCCCNc1cccc(NC(=O)[O-])c1 ZINC000832979093 601210173 /nfs/dbraw/zinc/21/01/73/601210173.db2.gz HCEKQCILDGTZBH-UHFFFAOYSA-N -1 0 300.358 3.966 20 0 DHADRM Cc1ccc(C)c(OCCNc2cccc(NC(=O)[O-])c2)c1 ZINC000832925340 601247811 /nfs/dbraw/zinc/24/78/11/601247811.db2.gz JVJNEZMXGQULFW-UHFFFAOYSA-N -1 0 300.358 3.884 20 0 DHADRM COc1ccc(C)cc1CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000832257801 601249433 /nfs/dbraw/zinc/24/94/33/601249433.db2.gz CXZSFFFRFJVZCD-UHFFFAOYSA-N -1 0 304.321 3.845 20 0 DHADRM Cc1cc(NCc2nc3ccccc3nc2C)ccc1C(=O)[O-] ZINC000832898738 601249521 /nfs/dbraw/zinc/24/95/21/601249521.db2.gz RRTQFYDXZZWTGO-UHFFFAOYSA-N -1 0 307.353 3.557 20 0 DHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828149123 601255389 /nfs/dbraw/zinc/25/53/89/601255389.db2.gz GXOZNZFZAKSYBX-KOLCDFICSA-N -1 0 322.817 3.877 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000776632797 601277728 /nfs/dbraw/zinc/27/77/28/601277728.db2.gz IGOYGMXSYRBIGP-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000238097416 601278042 /nfs/dbraw/zinc/27/80/42/601278042.db2.gz SSKYCXSVYZQDEY-DUXPYHPUSA-N -1 0 317.291 3.705 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCC1CCC1 ZINC000190737434 601281152 /nfs/dbraw/zinc/28/11/52/601281152.db2.gz HBHJIRVQSUGELF-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)C1CCCC1)C(=O)[O-] ZINC000827449501 601281961 /nfs/dbraw/zinc/28/19/61/601281961.db2.gz LOTGBHFFFWEXMC-HUUCEWRRSA-N -1 0 317.429 3.562 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000193462153 601282616 /nfs/dbraw/zinc/28/26/16/601282616.db2.gz NNVSJCGSVKEXPF-MRXNPFEDSA-N -1 0 322.364 3.504 20 0 DHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCC1CCC1 ZINC000683315178 601282839 /nfs/dbraw/zinc/28/28/39/601282839.db2.gz VODOJKNXDNTDNA-UHFFFAOYSA-N -1 0 317.410 3.796 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CCC1CCC1)c1cccc(Cl)c1 ZINC000761899562 601287497 /nfs/dbraw/zinc/28/74/97/601287497.db2.gz UIPKNKQKCJJYEA-AWEZNQCLSA-N -1 0 309.793 3.552 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000237754899 601295061 /nfs/dbraw/zinc/29/50/61/601295061.db2.gz MQNSGBAIBZCBFU-ABAIWWIYSA-N -1 0 317.772 3.532 20 0 DHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)s1 ZINC000237753265 601295656 /nfs/dbraw/zinc/29/56/56/601295656.db2.gz RBVVXSYWQRFMRS-ABAIWWIYSA-N -1 0 317.410 3.557 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000237759391 601295687 /nfs/dbraw/zinc/29/56/87/601295687.db2.gz NWNPCDMTFKMEPB-PXAZEXFGSA-N -1 0 323.348 3.625 20 0 DHADRM Cc1ccc(NCc2cc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000832951903 601302653 /nfs/dbraw/zinc/30/26/53/601302653.db2.gz OGWFRMJIBSIQNW-UHFFFAOYSA-N -1 0 308.337 3.960 20 0 DHADRM Cc1ccc2c(CNc3ccc(C)c(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000832962038 601302968 /nfs/dbraw/zinc/30/29/68/601302968.db2.gz OVUXHOFSROUNOB-UHFFFAOYSA-N -1 0 323.348 3.720 20 0 DHADRM Cc1ccc(NCc2nc(-c3ccccc3C)no2)cc1C(=O)[O-] ZINC000832952213 601303025 /nfs/dbraw/zinc/30/30/25/601303025.db2.gz TXSQSQHJXINGIP-UHFFFAOYSA-N -1 0 323.352 3.664 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)ccc1Cl ZINC000262036928 601307231 /nfs/dbraw/zinc/30/72/31/601307231.db2.gz CAOZNQGIDZOGIE-UHFFFAOYSA-N -1 0 318.200 3.757 20 0 DHADRM CC[C@@H](CC(=O)NC(CC)(CC)CC(=O)[O-])c1ccccc1 ZINC000262109770 601309378 /nfs/dbraw/zinc/30/93/78/601309378.db2.gz NZZFKZPKEDZNNX-AWEZNQCLSA-N -1 0 305.418 3.720 20 0 DHADRM Cc1csc(C2(NCc3cc(C)c(C(=O)[O-])o3)CCCC2)n1 ZINC000832989380 601322653 /nfs/dbraw/zinc/32/26/53/601322653.db2.gz YVXIEUUDPAZCOO-UHFFFAOYSA-N -1 0 320.414 3.610 20 0 DHADRM Cc1csc(C2(NCc3cc(C(=O)[O-])c(C)o3)CCCC2)n1 ZINC000832989115 601322694 /nfs/dbraw/zinc/32/26/94/601322694.db2.gz SLFUKPBEGGTBPU-UHFFFAOYSA-N -1 0 320.414 3.610 20 0 DHADRM Cc1ccc(NC(=S)Nc2ccccc2F)cc1C(=O)[O-] ZINC000832949098 601339049 /nfs/dbraw/zinc/33/90/49/601339049.db2.gz ORSVVQNKEXYSMB-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM CN(C(=O)C/C=C\c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000830471932 601350194 /nfs/dbraw/zinc/35/01/94/601350194.db2.gz KQIPLGXKDAXVKD-PLNGDYQASA-N -1 0 313.328 3.590 20 0 DHADRM Cc1oc(COC(=O)C/C=C/c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027500 601350355 /nfs/dbraw/zinc/35/03/55/601350355.db2.gz ULBAVBILZRWEPJ-NSCUHMNNSA-N -1 0 318.300 3.572 20 0 DHADRM O=C([O-])CCCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000037416469 601357747 /nfs/dbraw/zinc/35/77/47/601357747.db2.gz LSIIFPVDHLTJKS-UHFFFAOYSA-N -1 0 322.163 3.507 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000386942412 601368576 /nfs/dbraw/zinc/36/85/76/601368576.db2.gz MCDULKYLMDJIAK-MEBBXXQBSA-N -1 0 307.752 3.956 20 0 DHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828232925 601381239 /nfs/dbraw/zinc/38/12/39/601381239.db2.gz KGFYHXYHMYQIRW-GHMZBOCLSA-N -1 0 305.378 3.723 20 0 DHADRM CCC(=O)Nc1ccc(C)c(NCc2cc(C(=O)[O-])oc2C)c1 ZINC000828570596 601390109 /nfs/dbraw/zinc/39/01/09/601390109.db2.gz NMJAURBYUTYIJS-UHFFFAOYSA-N -1 0 316.357 3.555 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)CC1CCCCCC1)c1ccccc1 ZINC000238097039 601391557 /nfs/dbraw/zinc/39/15/57/601391557.db2.gz MEGVXOJTFGYUFP-MRXNPFEDSA-N -1 0 303.402 3.679 20 0 DHADRM CCc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262538689 601392172 /nfs/dbraw/zinc/39/21/72/601392172.db2.gz UPKMLHMWAFKSTO-SMDDNHRTSA-N -1 0 317.410 3.502 20 0 DHADRM CCc1ccsc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262538687 601392195 /nfs/dbraw/zinc/39/21/95/601392195.db2.gz UPKMLHMWAFKSTO-RISCZKNCSA-N -1 0 317.410 3.502 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(C2CC2)s1 ZINC000830398873 601395533 /nfs/dbraw/zinc/39/55/33/601395533.db2.gz XBAMQHFRQNQYTC-UHFFFAOYSA-N -1 0 310.400 3.561 20 0 DHADRM Cc1cc(CSc2nc3cc(Cl)cnc3[nH]2)oc1C(=O)[O-] ZINC000832885424 601405639 /nfs/dbraw/zinc/40/56/39/601405639.db2.gz SIAQUADKEIUPCN-UHFFFAOYSA-N -1 0 323.761 3.503 20 0 DHADRM C/C(=C/COC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000825764263 601407233 /nfs/dbraw/zinc/40/72/33/601407233.db2.gz DKUMMRZOFJABJM-WQLSENKSSA-N -1 0 316.378 3.506 20 0 DHADRM CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCc2sccc2C1 ZINC000652410968 601418071 /nfs/dbraw/zinc/41/80/71/601418071.db2.gz NVMHFABIRMRKIH-UHFFFAOYSA-N -1 0 305.399 3.550 20 0 DHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OC/C=C(\C)C(=O)[O-] ZINC000829014114 601426040 /nfs/dbraw/zinc/42/60/40/601426040.db2.gz CGGISLCIWBLSLG-NRMKIYEFSA-N -1 0 320.385 3.542 20 0 DHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1c(F)cccc1Cl ZINC000827702906 601426733 /nfs/dbraw/zinc/42/67/33/601426733.db2.gz CSGAJRDVFXOOON-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM O=C([O-])[C@H](Nc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000833171656 601433818 /nfs/dbraw/zinc/43/38/18/601433818.db2.gz ZRZNWEKIEUMBEP-OAHLLOKOSA-N -1 0 307.296 3.568 20 0 DHADRM O=C([O-])CC1(NC(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000094290770 601437351 /nfs/dbraw/zinc/43/73/51/601437351.db2.gz LOSOFPZOLYIAOD-UHFFFAOYSA-N -1 0 323.801 3.682 20 0 DHADRM O=C([O-])c1sccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000833096383 601441621 /nfs/dbraw/zinc/44/16/21/601441621.db2.gz NTBLOPFLWQPTHG-DUXPYHPUSA-N -1 0 305.330 3.627 20 0 DHADRM O=C([O-])c1cc(NC(=O)CC2CCCCCC2)c(F)cc1F ZINC000318392088 601445539 /nfs/dbraw/zinc/44/55/39/601445539.db2.gz DVCQIBSIBKRVGG-UHFFFAOYSA-N -1 0 311.328 3.962 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000833096916 601448172 /nfs/dbraw/zinc/44/81/72/601448172.db2.gz WTPGGEOASRALFO-GORDUTHDSA-N -1 0 317.291 3.705 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2cc3cccc(Cl)c3o2)c1 ZINC000833341097 601484176 /nfs/dbraw/zinc/48/41/76/601484176.db2.gz QYZDMMIRKWIWCV-UHFFFAOYSA-N -1 0 320.684 3.734 20 0 DHADRM O=C([O-])c1cccc(C(=O)O[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000833328838 601505188 /nfs/dbraw/zinc/50/51/88/601505188.db2.gz UGUFGIWAXACMRB-LBPRGKRZSA-N -1 0 316.275 3.663 20 0 DHADRM Cc1ccc(/C=C\CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000832929294 601505679 /nfs/dbraw/zinc/50/56/79/601505679.db2.gz OQYWWIHOXCYJTM-IHWYPQMZSA-N -1 0 301.367 3.797 20 0 DHADRM O=C([O-])c1ccc(-c2noc(C3(Cc4ccccc4)CC3)n2)cc1 ZINC000833308167 601506257 /nfs/dbraw/zinc/50/62/57/601506257.db2.gz MYBUMJUSBUWNIX-UHFFFAOYSA-N -1 0 320.348 3.709 20 0 DHADRM Cc1ccc(/C=C\CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832927818 601567547 /nfs/dbraw/zinc/56/75/47/601567547.db2.gz BMYVCYZJCXFVCI-SCOBNMCVSA-N -1 0 314.337 3.994 20 0 DHADRM Cc1ccc(/C=C/CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832930272 601567548 /nfs/dbraw/zinc/56/75/48/601567548.db2.gz UCIKHVIFXBQRTO-DUMMIQTOSA-N -1 0 310.349 3.767 20 0 DHADRM CC1CCC(=CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000776650970 601582513 /nfs/dbraw/zinc/58/25/13/601582513.db2.gz PZTLKTDVKALCTQ-NBFOKTCDSA-N -1 0 321.804 3.718 20 0 DHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)C(C)(C)C ZINC000776651405 601584049 /nfs/dbraw/zinc/58/40/49/601584049.db2.gz SKVPIURZBJQPJU-HBWSCVEGSA-N -1 0 309.793 3.574 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)s1 ZINC000678984204 601585951 /nfs/dbraw/zinc/58/59/51/601585951.db2.gz TXIPDTZAOJMNIH-ZDUSSCGKSA-N -1 0 323.801 3.574 20 0 DHADRM Cc1cc(C)c(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC000738218812 601614948 /nfs/dbraw/zinc/61/49/48/601614948.db2.gz YJNGGZFRFQETKX-HJWRWDBZSA-N -1 0 323.392 3.891 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])c(F)c1 ZINC000825946509 601627510 /nfs/dbraw/zinc/62/75/10/601627510.db2.gz BRFLFDKXRLCWGH-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1ccc(CC[C@@H](C)O)cc1 ZINC000833030858 601633187 /nfs/dbraw/zinc/63/31/87/601633187.db2.gz DQGSCXINWNBLTI-LLVKDONJSA-N -1 0 320.410 3.647 20 0 DHADRM Cc1cccc2sc(C(=O)N(CC(=O)[O-])C3CC3)c(Cl)c21 ZINC000678976335 601633190 /nfs/dbraw/zinc/63/31/90/601633190.db2.gz HQMYBALTFXLLJX-UHFFFAOYSA-N -1 0 323.801 3.552 20 0 DHADRM Cc1sc(C(=O)[O-])cc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000316360472 601636245 /nfs/dbraw/zinc/63/62/45/601636245.db2.gz TUJKXLRWSXQTJJ-UHFFFAOYSA-N -1 0 316.338 3.666 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000776660742 601641080 /nfs/dbraw/zinc/64/10/80/601641080.db2.gz AIEBETXHYGLGMG-UTUOFQBUSA-N -1 0 323.355 3.505 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000236836283 601643449 /nfs/dbraw/zinc/64/34/49/601643449.db2.gz OFVKVRKMPZFCFK-GFCCVEGCSA-N -1 0 318.200 3.757 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236671160 601643631 /nfs/dbraw/zinc/64/36/31/601643631.db2.gz TVBABJYGDLTUCJ-LBPRGKRZSA-N -1 0 318.200 3.757 20 0 DHADRM Cc1nc(NC(=O)C2(CC(C)C)CCCC2)sc1C(=O)[O-] ZINC000833002695 601653282 /nfs/dbraw/zinc/65/32/82/601653282.db2.gz DDDYZNWJKYMBTC-UHFFFAOYSA-N -1 0 310.419 3.695 20 0 DHADRM CC(C)CC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000321210788 601658888 /nfs/dbraw/zinc/65/88/88/601658888.db2.gz WOIUCVZSUZOJFC-UHFFFAOYSA-N -1 0 317.429 3.950 20 0 DHADRM O=C([O-])c1coc(CN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000833339254 601661999 /nfs/dbraw/zinc/66/19/99/601661999.db2.gz IBVRPGNQHVFOEH-UHFFFAOYSA-N -1 0 315.344 3.796 20 0 DHADRM COc1cccc(CSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832558218 601675134 /nfs/dbraw/zinc/67/51/34/601675134.db2.gz GPBSQVCKDLKQAX-UHFFFAOYSA-N -1 0 306.358 3.966 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000828764131 601683973 /nfs/dbraw/zinc/68/39/73/601683973.db2.gz GDBOCZJDILUSNY-BBRMVZONSA-N -1 0 315.413 3.527 20 0 DHADRM CCCN(C(=O)NCC(C)(C)C(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000829453270 601686812 /nfs/dbraw/zinc/68/68/12/601686812.db2.gz RUHKBFHKZFPAIE-HNNXBMFYSA-N -1 0 320.433 3.670 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCC1 ZINC000829065577 601707565 /nfs/dbraw/zinc/70/75/65/601707565.db2.gz SJBBDBIFWICNKB-UHFFFAOYSA-N -1 0 309.341 3.617 20 0 DHADRM CSc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832774577 601718685 /nfs/dbraw/zinc/71/86/85/601718685.db2.gz PZWRIGCUHSJBQQ-UHFFFAOYSA-N -1 0 320.341 3.603 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000826826773 601753243 /nfs/dbraw/zinc/75/32/43/601753243.db2.gz RCAGBRGPVJQRSN-UHFFFAOYSA-N -1 0 305.378 3.724 20 0 DHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829119694 601754903 /nfs/dbraw/zinc/75/49/03/601754903.db2.gz SLMXRQFWEHDTQR-CABZTGNLSA-N -1 0 309.341 3.616 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829119695 601754941 /nfs/dbraw/zinc/75/49/41/601754941.db2.gz SLMXRQFWEHDTQR-JOYOIKCWSA-N -1 0 309.341 3.616 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000324304522 601772166 /nfs/dbraw/zinc/77/21/66/601772166.db2.gz XCAUQGMOBDLGLG-XJKSGUPXSA-N -1 0 324.380 3.538 20 0 DHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000828127381 601777551 /nfs/dbraw/zinc/77/75/51/601777551.db2.gz CALDKOMBDARCKJ-LJQANCHMSA-N -1 0 324.380 3.580 20 0 DHADRM Cc1cccc(NC(=S)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000832971188 601794008 /nfs/dbraw/zinc/79/40/08/601794008.db2.gz PSKBJCGKAXTBDR-UHFFFAOYSA-N -1 0 320.458 3.577 20 0 DHADRM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000322848624 601795419 /nfs/dbraw/zinc/79/54/19/601795419.db2.gz OQDFBVQUHFMFAM-CYBMUJFWSA-N -1 0 318.417 3.559 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2cccc(Cl)c2o1 ZINC000826876083 601801606 /nfs/dbraw/zinc/80/16/06/601801606.db2.gz QTDFOURFTNAFER-UHFFFAOYSA-N -1 0 323.776 3.659 20 0 DHADRM CCC1(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)CCCC1 ZINC000829043562 601802528 /nfs/dbraw/zinc/80/25/28/601802528.db2.gz AOLQYRTZNXDSBH-VQHVLOKHSA-N -1 0 318.369 3.669 20 0 DHADRM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccsc1C(=O)[O-] ZINC000568872734 601807703 /nfs/dbraw/zinc/80/77/03/601807703.db2.gz VWCYWGLXABWLGF-SECBINFHSA-N -1 0 311.353 3.918 20 0 DHADRM Cc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000832913389 601808015 /nfs/dbraw/zinc/80/80/15/601808015.db2.gz DDNFZGCSFCYCDL-UHFFFAOYSA-N -1 0 307.396 3.946 20 0 DHADRM Cc1ccc([C@H](C)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])o1 ZINC000832925435 601810098 /nfs/dbraw/zinc/81/00/98/601810098.db2.gz ZLIYXGKCHFHHEN-VIFPVBQESA-N -1 0 319.382 3.967 20 0 DHADRM O=C([O-])c1ccc(CSCc2cn3ccccc3n2)cc1F ZINC000833317637 601813663 /nfs/dbraw/zinc/81/36/63/601813663.db2.gz XAYHVSGERZRQBL-UHFFFAOYSA-N -1 0 316.357 3.605 20 0 DHADRM CC(C)[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000539683124 601818037 /nfs/dbraw/zinc/81/80/37/601818037.db2.gz ADYUDJAGJMODEG-SFHVURJKSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])c1sccc1CN1CCc2c(Cl)cccc2C1 ZINC000571571045 601828508 /nfs/dbraw/zinc/82/85/08/601828508.db2.gz NEZKYECDXQZFEZ-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000820147838 601850180 /nfs/dbraw/zinc/85/01/80/601850180.db2.gz HXZPUORGNVSFFE-ZDUSSCGKSA-N -1 0 322.364 3.891 20 0 DHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000830151330 601881989 /nfs/dbraw/zinc/88/19/89/601881989.db2.gz YLYZFOVDHYMNDR-KGLIPLIRSA-N -1 0 322.430 3.523 20 0 DHADRM O=C([O-])c1sccc1COc1ccccc1Br ZINC000110952649 601889490 /nfs/dbraw/zinc/88/94/90/601889490.db2.gz ZZYRTFXUUQHESL-UHFFFAOYSA-N -1 0 313.172 3.788 20 0 DHADRM O=C([O-])c1sccc1CSc1nncc2ccccc21 ZINC000833347917 601894212 /nfs/dbraw/zinc/89/42/12/601894212.db2.gz IFDPUYMPHREPJR-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000532253907 601919424 /nfs/dbraw/zinc/91/94/24/601919424.db2.gz RCPKBFDPZXNGOR-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000683338018 601930196 /nfs/dbraw/zinc/93/01/96/601930196.db2.gz HSODTGAPEWSUAN-UHFFFAOYSA-N -1 0 323.392 3.642 20 0 DHADRM CC(C)CCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826855140 601951559 /nfs/dbraw/zinc/95/15/59/601951559.db2.gz FCYVWUBPIBSOAV-UHFFFAOYSA-N -1 0 318.295 3.571 20 0 DHADRM CCc1ccc(NC(=S)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737907046 601953667 /nfs/dbraw/zinc/95/36/67/601953667.db2.gz DNSXWGUCGRDQGH-UHFFFAOYSA-N -1 0 314.410 3.685 20 0 DHADRM CCCC[C@@H](CC)CNC(=S)Nc1cccc(CC(=O)[O-])c1 ZINC000829286478 601954043 /nfs/dbraw/zinc/95/40/43/601954043.db2.gz UHSUAFQMQVMALH-CYBMUJFWSA-N -1 0 322.474 3.817 20 0 DHADRM O=C([O-])Cc1cccc(NCCCOc2ccc(Cl)cc2)c1 ZINC000833268177 601967066 /nfs/dbraw/zinc/96/70/66/601967066.db2.gz JLGGZHOBZMDLOH-UHFFFAOYSA-N -1 0 319.788 3.848 20 0 DHADRM CC[C@@H](C)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828753701 601993604 /nfs/dbraw/zinc/99/36/04/601993604.db2.gz UDOOXJGLXFKNOK-MRVPVSSYSA-N -1 0 318.295 3.666 20 0 DHADRM CCCC1(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000262987743 601995601 /nfs/dbraw/zinc/99/56/01/601995601.db2.gz NVSNSEDAVHLLAI-GFCCVEGCSA-N -1 0 321.442 3.562 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cccc3ccccc32)cn1 ZINC000740709561 601997144 /nfs/dbraw/zinc/99/71/44/601997144.db2.gz LGZSBIFATJMYOS-UHFFFAOYSA-N -1 0 321.336 3.506 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(F)cc2Cl)s1 ZINC000833316207 601997844 /nfs/dbraw/zinc/99/78/44/601997844.db2.gz UTHOJDCZKQNHLC-UHFFFAOYSA-N -1 0 314.721 3.596 20 0 DHADRM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827586557 602004973 /nfs/dbraw/zinc/00/49/73/602004973.db2.gz PTJQOHHDOHHCJU-SNVBAGLBSA-N -1 0 322.357 3.507 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C/C=C\c2cccc(F)c2)s1 ZINC000833097041 602013189 /nfs/dbraw/zinc/01/31/89/602013189.db2.gz ZESLUTXLFLWFFC-RQOWECAXSA-N -1 0 320.341 3.732 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc3ccsc3[nH]2)c1 ZINC000740704168 602027509 /nfs/dbraw/zinc/02/75/09/602027509.db2.gz JZJVICWFJPQCBS-UHFFFAOYSA-N -1 0 319.317 3.711 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000827042784 602035831 /nfs/dbraw/zinc/03/58/31/602035831.db2.gz 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316.382 3.645 20 0 DHADRM CC[C@H](C)[C@H](C)N(C(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000736870616 602520169 /nfs/dbraw/zinc/52/01/69/602520169.db2.gz LJIYKEQURFMTLT-RYUDHWBXSA-N -1 0 304.390 3.816 20 0 DHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000736870618 602520325 /nfs/dbraw/zinc/52/03/25/602520325.db2.gz LJIYKEQURFMTLT-VXGBXAGGSA-N -1 0 304.390 3.816 20 0 DHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739707769 602601775 /nfs/dbraw/zinc/60/17/75/602601775.db2.gz ZNRDVOKCCCCEES-UHFFFAOYSA-N -1 0 317.320 3.580 20 0 DHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738947623 602602742 /nfs/dbraw/zinc/60/27/42/602602742.db2.gz IHLYSXVUJVTCJX-JTQLQIEISA-N -1 0 319.386 3.591 20 0 DHADRM CC(C)CCN(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738818151 602604700 /nfs/dbraw/zinc/60/47/00/602604700.db2.gz LCCAZAZOMKDOQC-UHFFFAOYSA-N -1 0 319.405 3.627 20 0 DHADRM CSc1ccsc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740019382 602625607 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COc1cc(NC(=O)NCCCC(C)(C)C)ccc1NC(=O)[O-] ZINC000739865040 603137476 /nfs/dbraw/zinc/13/74/76/603137476.db2.gz BVKXDYOPZPAKIY-UHFFFAOYSA-N -1 0 323.393 3.733 20 0 DHADRM C[C@H]1C[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C[C@@H](C)C1 ZINC000739077002 603140138 /nfs/dbraw/zinc/14/01/38/603140138.db2.gz QRFOACYQMGOFGV-IAZYJMLFSA-N -1 0 323.368 3.862 20 0 DHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000740578364 603149286 /nfs/dbraw/zinc/14/92/86/603149286.db2.gz ZBLNQFNCBFCNKO-CABCVRRESA-N -1 0 312.369 3.605 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000740578379 603149385 /nfs/dbraw/zinc/14/93/85/603149385.db2.gz ZBLNQFNCBFCNKO-LSDHHAIUSA-N -1 0 312.369 3.605 20 0 DHADRM O=C([O-])N1CCC[C@H](CNc2ccc(CC(F)(F)F)cc2)C1 ZINC000831987172 603165532 /nfs/dbraw/zinc/16/55/32/603165532.db2.gz VTOCYTGQZTTZDK-GFCCVEGCSA-N -1 0 316.323 3.593 20 0 DHADRM C[C@@H](CC1CCCC1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738896463 603171376 /nfs/dbraw/zinc/17/13/76/603171376.db2.gz PDMOBCGQLWPPLJ-NSHDSACASA-N -1 0 307.394 3.790 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000825442464 603171364 /nfs/dbraw/zinc/17/13/64/603171364.db2.gz HQFITZGTNVHYDT-VIFPVBQESA-N -1 0 320.295 3.546 20 0 DHADRM CC1CCC(=CC(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000739086180 603173703 /nfs/dbraw/zinc/17/37/03/603173703.db2.gz FBFHGFOIUOAYMC-UHFFFAOYSA-N -1 0 306.337 3.991 20 0 DHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736230661 603174739 /nfs/dbraw/zinc/17/47/39/603174739.db2.gz OXOFHIFVCNLWCX-UHFFFAOYSA-N -1 0 316.332 3.832 20 0 DHADRM Cc1ccc([C@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830252214 603176073 /nfs/dbraw/zinc/17/60/73/603176073.db2.gz WHDBQOZCECFRFF-RYUDHWBXSA-N -1 0 316.357 3.659 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NCC2=Cc3ccccc3OC2)cc1 ZINC000825449520 603179111 /nfs/dbraw/zinc/17/91/11/603179111.db2.gz SHYBVPHYWQFAEN-ZDUSSCGKSA-N -1 0 324.380 3.903 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827576027 603190212 /nfs/dbraw/zinc/19/02/12/603190212.db2.gz ADPDBUXJPVZWJQ-GFCCVEGCSA-N -1 0 312.369 3.830 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739093576 603196235 /nfs/dbraw/zinc/19/62/35/603196235.db2.gz RADGXOWZKSQTSS-TZMCWYRMSA-N -1 0 316.401 3.882 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC000740700652 603200704 /nfs/dbraw/zinc/20/07/04/603200704.db2.gz XRIBYGSJDBQAMY-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@H]1C ZINC000739109203 603216592 /nfs/dbraw/zinc/21/65/92/603216592.db2.gz YWIICOLTOBUJLF-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739089820 603220721 /nfs/dbraw/zinc/22/07/21/603220721.db2.gz FQEKTEDQAMMFDB-MNOVXSKESA-N -1 0 308.353 3.566 20 0 DHADRM CCN(Cc1cccc(NC(=O)[C@@H](C)c2ccco2)c1)C(=O)[O-] ZINC000739442903 603238018 /nfs/dbraw/zinc/23/80/18/603238018.db2.gz UTWKULQHIKZSNQ-LBPRGKRZSA-N -1 0 316.357 3.522 20 0 DHADRM Cc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830186121 603281511 /nfs/dbraw/zinc/28/15/11/603281511.db2.gz FXIVNPYXNUUDDF-UHFFFAOYSA-N -1 0 324.380 3.890 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1NC(=O)[O-] ZINC000830230268 603284752 /nfs/dbraw/zinc/28/47/52/603284752.db2.gz BJDDIDUWAGGNAN-UHFFFAOYSA-N -1 0 309.325 3.819 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738800263 603287433 /nfs/dbraw/zinc/28/74/33/603287433.db2.gz GQAQJUGCGPTOSN-ZDUSSCGKSA-N -1 0 310.781 3.691 20 0 DHADRM CC(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000823641104 603293472 /nfs/dbraw/zinc/29/34/72/603293472.db2.gz ORZQRFRCCSKDLV-UHFFFAOYSA-N -1 0 312.325 3.540 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830182196 603307036 /nfs/dbraw/zinc/30/70/36/603307036.db2.gz UIWALXLVBHXTOR-BXUZGUMPSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830505886 603311725 /nfs/dbraw/zinc/31/17/25/603311725.db2.gz PXDGICDDOOIDDS-UHFFFAOYSA-N -1 0 317.320 3.546 20 0 DHADRM CCc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000827585117 603333781 /nfs/dbraw/zinc/33/37/81/603333781.db2.gz ZZVDIZHGDHVEHG-UHFFFAOYSA-N -1 0 318.398 3.639 20 0 DHADRM Cc1ccccc1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740186215 603341867 /nfs/dbraw/zinc/34/18/67/603341867.db2.gz NSNWGIHJRYQKEY-UHFFFAOYSA-N -1 0 313.357 3.749 20 0 DHADRM CCN(Cc1cccc(NC(=O)N(C)CC(C)(C)C)c1)C(=O)[O-] ZINC000739441936 603344137 /nfs/dbraw/zinc/34/41/37/603344137.db2.gz KPKFBPGRVKSGTL-UHFFFAOYSA-N -1 0 321.421 3.696 20 0 DHADRM CCN(Cc1cccc(NC(=O)N2CCCC[C@H]2C)c1)C(=O)[O-] ZINC000739442484 603346187 /nfs/dbraw/zinc/34/61/87/603346187.db2.gz MREQHBAZNUDFTF-CYBMUJFWSA-N -1 0 319.405 3.593 20 0 DHADRM CC[C@@H](C)CN(C)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739241595 603353826 /nfs/dbraw/zinc/35/38/26/603353826.db2.gz ZCDJMZQGADLHIT-CYBMUJFWSA-N -1 0 321.421 3.696 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000739449548 603355759 /nfs/dbraw/zinc/35/57/59/603355759.db2.gz YDWCAZFAEJZJFT-ZDUSSCGKSA-N -1 0 319.405 3.593 20 0 DHADRM CC(C)CCN(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824238143 603367701 /nfs/dbraw/zinc/36/77/01/603367701.db2.gz AVNCAMCCPHIBJV-LBPRGKRZSA-N -1 0 307.394 3.525 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C)CC2)cc1 ZINC000825914254 603373268 /nfs/dbraw/zinc/37/32/68/603373268.db2.gz YYABJQATPZPBKC-STQMWFEESA-N -1 0 319.405 3.669 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000825426605 603380204 /nfs/dbraw/zinc/38/02/04/603380204.db2.gz HGUAKHMVPBFPIV-NWDGAFQWSA-N -1 0 319.405 3.715 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824231486 603387343 /nfs/dbraw/zinc/38/73/43/603387343.db2.gz JFAPBHRGVNVIRS-QWHCGFSZSA-N -1 0 321.421 3.961 20 0 DHADRM CCCN(CC1CC1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826907328 603388957 /nfs/dbraw/zinc/38/89/57/603388957.db2.gz MZEUHZBBXYIKOK-GFCCVEGCSA-N -1 0 319.405 3.669 20 0 DHADRM Cc1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1NC(=O)[O-] ZINC000830182285 603404177 /nfs/dbraw/zinc/40/41/77/603404177.db2.gz XAEDNEIHMJOIAM-LBPRGKRZSA-N -1 0 304.390 3.734 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736217429 603412238 /nfs/dbraw/zinc/41/22/38/603412238.db2.gz CGRKCJKVNYTYHE-SNVBAGLBSA-N -1 0 302.305 3.658 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)c2cccc(F)c2)n1 ZINC000824219172 603414975 /nfs/dbraw/zinc/41/49/75/603414975.db2.gz RWZDIRYGZYNJQE-GWCFXTLKSA-N -1 0 321.352 3.715 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)c1C ZINC000738306953 603420097 /nfs/dbraw/zinc/42/00/97/603420097.db2.gz HQNSUGINOMEQLT-CYBMUJFWSA-N -1 0 312.369 3.884 20 0 DHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)c2cccc(Cl)c2)n1 ZINC000824902729 603421771 /nfs/dbraw/zinc/42/17/71/603421771.db2.gz NUUWHPJMMHRIPZ-NXEZZACHSA-N -1 0 323.780 3.588 20 0 DHADRM CC(C)(C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccs1 ZINC000738660800 603430128 /nfs/dbraw/zinc/43/01/28/603430128.db2.gz BFLNLZHZGSTQEH-UHFFFAOYSA-N -1 0 322.361 3.893 20 0 DHADRM O=C([O-])N[C@H](CCC(=O)OCc1ccsc1)c1ccccc1 ZINC000832121218 603473891 /nfs/dbraw/zinc/47/38/91/603473891.db2.gz VCQFIXYZRGKMEQ-CQSZACIVSA-N -1 0 319.382 3.580 20 0 DHADRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825023750 603477457 /nfs/dbraw/zinc/47/74/57/603477457.db2.gz NFMVQBSFYFLJNE-LLVKDONJSA-N -1 0 317.316 3.700 20 0 DHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825017227 603481481 /nfs/dbraw/zinc/48/14/81/603481481.db2.gz YCOGUHNSILORHO-NSHDSACASA-N -1 0 317.316 3.700 20 0 DHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000826983369 603540381 /nfs/dbraw/zinc/54/03/81/603540381.db2.gz NIOOHMYHLPBHMM-UHFFFAOYSA-N -1 0 319.386 3.517 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CCc3c2cccc3Cl)cc1 ZINC000832834307 603729035 /nfs/dbraw/zinc/72/90/35/603729035.db2.gz VZXWCLAOVZRXEO-UHFFFAOYSA-N -1 0 316.744 3.633 20 0 DHADRM C[C@@H](N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1(C)CC1 ZINC000825056170 603783635 /nfs/dbraw/zinc/78/36/35/603783635.db2.gz PGIFWBAQCOKYHQ-SECBINFHSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1nc2cc(NCc3cccc4c3N(C(=O)[O-])CC4)ccc2o1 ZINC000830784773 603852437 /nfs/dbraw/zinc/85/24/37/603852437.db2.gz AYBWJOQCPWUJNC-UHFFFAOYSA-N -1 0 323.352 3.789 20 0 DHADRM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000825864971 604022396 /nfs/dbraw/zinc/02/23/96/604022396.db2.gz CKLLIMKNOZKBOF-VHSXEESVSA-N -1 0 310.781 3.691 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2ncc(C(C)(C)C)o2)cc1 ZINC000825448613 604050235 /nfs/dbraw/zinc/05/02/35/604050235.db2.gz FPHFOVRJPBKBSM-NSHDSACASA-N -1 0 317.389 3.913 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000828286706 604280696 /nfs/dbraw/zinc/28/06/96/604280696.db2.gz YXNXHQPBPOHTIZ-FFSVYQOJSA-N -1 0 319.376 3.565 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(C)cc1C ZINC000829602201 604288042 /nfs/dbraw/zinc/28/80/42/604288042.db2.gz HJGQTUNTTJASTH-UHFFFAOYSA-N -1 0 315.344 3.807 20 0 DHADRM CCc1ccc(CC)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830245323 604296573 /nfs/dbraw/zinc/29/65/73/604296573.db2.gz UJUQBTXWTMEUBM-UHFFFAOYSA-N -1 0 315.344 3.901 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C(F)F)c1 ZINC000386495994 604301885 /nfs/dbraw/zinc/30/18/85/604301885.db2.gz ZKXYUIIJQHMDOM-UHFFFAOYSA-N -1 0 308.284 3.520 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828740384 604320044 /nfs/dbraw/zinc/32/00/44/604320044.db2.gz WITORKVWTCIYHG-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000832971260 604330718 /nfs/dbraw/zinc/33/07/18/604330718.db2.gz UJOYDFRXHSHDTD-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCOCCC1(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCCC1 ZINC000827394389 604340535 /nfs/dbraw/zinc/34/05/35/604340535.db2.gz REISKGDIORHNER-UHFFFAOYSA-N -1 0 320.389 3.702 20 0 DHADRM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826844816 604342562 /nfs/dbraw/zinc/34/25/62/604342562.db2.gz LBDRZBJSVLKEDT-CYBMUJFWSA-N -1 0 307.365 3.565 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825809103 604367986 /nfs/dbraw/zinc/36/79/86/604367986.db2.gz NBLPKBCINJGIFM-NSHDSACASA-N -1 0 306.362 3.501 20 0 DHADRM CCC(CC)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828859170 604387320 /nfs/dbraw/zinc/38/73/20/604387320.db2.gz PYEMEDZCQXOGGL-INIZCTEOSA-N -1 0 305.418 3.781 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccccc1F ZINC000829025838 604428796 /nfs/dbraw/zinc/42/87/96/604428796.db2.gz GQRCEDJSLJXCCJ-INIZCTEOSA-N -1 0 315.344 3.504 20 0 DHADRM CCCC1(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CCC1 ZINC000826765999 604454353 /nfs/dbraw/zinc/45/43/53/604454353.db2.gz XLILSAJZUZNGQH-ZDUSSCGKSA-N -1 0 318.417 3.602 20 0 DHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000828685431 604485050 /nfs/dbraw/zinc/48/50/50/604485050.db2.gz LEDPCGDYBFXHQY-INIZCTEOSA-N -1 0 318.398 3.893 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833384894 604494570 /nfs/dbraw/zinc/49/45/70/604494570.db2.gz DIRWKGUDHYCOKB-ZRDIBKRKSA-N -1 0 320.360 3.806 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829245867 604502466 /nfs/dbraw/zinc/50/24/66/604502466.db2.gz PHMPDBVLHPPHJP-JQWIXIFHSA-N -1 0 310.419 3.879 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000833342369 604514673 /nfs/dbraw/zinc/51/46/73/604514673.db2.gz KFHFTPYASUNORI-MRXNPFEDSA-N -1 0 320.414 3.801 20 0 DHADRM CC(C)CC1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000826841102 604515710 /nfs/dbraw/zinc/51/57/10/604515710.db2.gz VHTZBJHRHQWXKW-UHFFFAOYSA-N -1 0 310.419 3.736 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000826736303 604517263 /nfs/dbraw/zinc/51/72/63/604517263.db2.gz RMOXZQCDGAHEJZ-LLVKDONJSA-N -1 0 310.419 3.736 20 0 DHADRM CC(C)[N@H+](Cc1ccco1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833538801 604530656 /nfs/dbraw/zinc/53/06/56/604530656.db2.gz VSFZMCWSNKBGFO-CQSZACIVSA-N -1 0 317.385 3.542 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000828869612 604532405 /nfs/dbraw/zinc/53/24/05/604532405.db2.gz BHPKYOQBICKPTH-UHFFFAOYSA-N -1 0 316.361 3.586 20 0 DHADRM CC(C)c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000827118273 604535923 /nfs/dbraw/zinc/53/59/23/604535923.db2.gz QCFQJZFBZCCXHO-UHFFFAOYSA-N -1 0 319.744 3.776 20 0 DHADRM CC(C)(C)Oc1cccc(CNc2cccc(NC(=O)[O-])c2)n1 ZINC000833446914 604536851 /nfs/dbraw/zinc/53/68/51/604536851.db2.gz KTFFFMQBMDUEEQ-UHFFFAOYSA-N -1 0 315.373 3.961 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000190880680 604537313 /nfs/dbraw/zinc/53/73/13/604537313.db2.gz UKJJDVKGMBRJTR-VAWYXSNFSA-N -1 0 309.793 3.505 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)C1 ZINC000649353310 604541113 /nfs/dbraw/zinc/54/11/13/604541113.db2.gz AKCJXBCYNZZHLV-NWDGAFQWSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cc([C@H](C)OC(=O)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832872314 604546249 /nfs/dbraw/zinc/54/62/49/604546249.db2.gz NKCPZZZDJPHDOV-JTQLQIEISA-N 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/nfs/dbraw/zinc/57/97/97/604579797.db2.gz SIVXMEHAXXEVRW-NXEZZACHSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000832875989 604584184 /nfs/dbraw/zinc/58/41/84/604584184.db2.gz PTABGTXAWQVSBU-WDEREUQCSA-N -1 0 320.316 3.833 20 0 DHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000833604967 604587872 /nfs/dbraw/zinc/58/78/72/604587872.db2.gz VHYAENARXXQPRQ-ZJUUUORDSA-N -1 0 309.341 3.568 20 0 DHADRM CC(C)[C@@H](C)CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833469617 604599191 /nfs/dbraw/zinc/59/91/91/604599191.db2.gz ZAQQHAWMEAAMJO-LBPRGKRZSA-N -1 0 324.446 3.667 20 0 DHADRM C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833607283 604599831 /nfs/dbraw/zinc/59/98/31/604599831.db2.gz BZTPZQUBMBIKQC-BXUZGUMPSA-N -1 0 322.430 3.564 20 0 DHADRM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833590563 604602331 /nfs/dbraw/zinc/60/23/31/604602331.db2.gz HDPJXZQLWCZAHJ-NWDGAFQWSA-N -1 0 322.430 3.516 20 0 DHADRM 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CCc1oc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1C ZINC000833678850 605275464 /nfs/dbraw/zinc/27/54/64/605275464.db2.gz QAFNRVMBSLKEMM-UHFFFAOYSA-N -1 0 306.293 3.632 20 0 DHADRM CC1(C)CC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833559234 605282040 /nfs/dbraw/zinc/28/20/40/605282040.db2.gz WRQGNVOWRUJWAD-JTQLQIEISA-N -1 0 309.341 3.616 20 0 DHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC000833592540 605283995 /nfs/dbraw/zinc/28/39/95/605283995.db2.gz CUIXVYUUQSDMSS-IAZYJMLFSA-N -1 0 323.368 3.862 20 0 DHADRM CC(C)(C(=O)OCCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000833418742 605284880 /nfs/dbraw/zinc/28/48/80/605284880.db2.gz MXDFJGOVUDQMJN-UHFFFAOYSA-N -1 0 300.354 3.525 20 0 DHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000762207380 605303481 /nfs/dbraw/zinc/30/34/81/605303481.db2.gz RCUNPAYFMAQEKZ-KZULUSFZSA-N -1 0 311.381 3.518 20 0 DHADRM C[C@H](c1nc2ccccc2o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833549567 605335503 /nfs/dbraw/zinc/33/55/03/605335503.db2.gz 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605420120 /nfs/dbraw/zinc/42/01/20/605420120.db2.gz ZDQGVQKLYMKLJW-UHFFFAOYSA-N -1 0 300.314 3.514 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385752 605447374 /nfs/dbraw/zinc/44/73/74/605447374.db2.gz VGTIMXQRNGCMGP-NTEUORMPSA-N -1 0 321.376 3.639 20 0 DHADRM Cc1cncc(C=Cc2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000830639740 605459546 /nfs/dbraw/zinc/45/95/46/605459546.db2.gz OJKTXYWRJFUINZ-WAYWQWQTSA-N -1 0 322.324 3.700 20 0 DHADRM Cc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833748096 605462155 /nfs/dbraw/zinc/46/21/55/605462155.db2.gz DDVGWPKBLLHMDQ-CHWSQXEVSA-N -1 0 316.353 3.769 20 0 DHADRM CC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833423762 605487427 /nfs/dbraw/zinc/48/74/27/605487427.db2.gz XNYPFUGFGWFFKK-GFCCVEGCSA-N -1 0 302.729 3.584 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1NC(=O)[O-] ZINC000833901544 605503554 /nfs/dbraw/zinc/50/35/54/605503554.db2.gz BKNZMUVHJITPBI-CYBMUJFWSA-N -1 0 304.390 3.593 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3ccccc3NC(=O)[O-])ccc2n1 ZINC000830452906 605528468 /nfs/dbraw/zinc/52/84/68/605528468.db2.gz BRNUUIDMBCQQOW-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1NC(=O)[O-] ZINC000829934663 605565647 /nfs/dbraw/zinc/56/56/47/605565647.db2.gz OXIGJKXHBZYRED-GFCCVEGCSA-N -1 0 310.353 3.676 20 0 DHADRM Cc1c(C(=O)[O-])sc2[nH]c(C3C[C@@H](C)C[C@H](C)C3)nc(=O)c12 ZINC000833741426 605577519 /nfs/dbraw/zinc/57/75/19/605577519.db2.gz MJLKSXSSIAFBTC-YUMQZZPRSA-N -1 0 320.414 3.531 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833639526 605578804 /nfs/dbraw/zinc/57/88/04/605578804.db2.gz VOZLHSSTOYWOAR-STQMWFEESA-N -1 0 318.417 3.606 20 0 DHADRM C[C@@H]1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)CC(C)(C)C1 ZINC000683298641 605580271 /nfs/dbraw/zinc/58/02/71/605580271.db2.gz GXEVSCOKSWXVMZ-FRRDWIJNSA-N -1 0 323.458 3.843 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829909509 605581075 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C[C@@H]1C[C@@H](C(=O)Nc2nc(CCC(=O)[O-])cs2)CC(C)(C)C1 ZINC000833588626 605626520 /nfs/dbraw/zinc/62/65/20/605626520.db2.gz IJFZHRVZMVVWKV-GHMZBOCLSA-N -1 0 324.446 3.561 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833638726 605629106 /nfs/dbraw/zinc/62/91/06/605629106.db2.gz OLUMTKOGMKWASQ-NEPJUHHUSA-N -1 0 309.431 3.874 20 0 DHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829924413 605655349 /nfs/dbraw/zinc/65/53/49/605655349.db2.gz GSVFBRTUZMZNEL-MRXNPFEDSA-N -1 0 324.380 3.715 20 0 DHADRM Cc1cc(C(=O)NC/C=C\c2ccccc2)ccc1NC(=O)[O-] ZINC000829944472 605689009 /nfs/dbraw/zinc/68/90/09/605689009.db2.gz CGIUIMCOIQGEHM-YVMONPNESA-N -1 0 310.353 3.528 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)Nc1cccc(C(F)F)c1 ZINC000740057676 605692392 /nfs/dbraw/zinc/69/23/92/605692392.db2.gz YXRCXYJMFRWMOC-UHFFFAOYSA-N -1 0 306.268 3.966 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000683314446 605706800 /nfs/dbraw/zinc/70/68/00/605706800.db2.gz 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CC[C@H]1CCCCCN1C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833843918 606064223 /nfs/dbraw/zinc/06/42/23/606064223.db2.gz GRZRVNFQQIJEEY-AWEZNQCLSA-N -1 0 304.390 3.500 20 0 DHADRM Cc1ccccc1[C@H](C)OC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833910264 606091361 /nfs/dbraw/zinc/09/13/61/606091361.db2.gz VEZKBQIEBGNHKJ-ZDUSSCGKSA-N -1 0 313.353 3.932 20 0 DHADRM Cc1cc(C)c(/C=C/C(=O)NC2(C(=O)[O-])CCCCC2)cc1C ZINC000058365041 939031509 /nfs/dbraw/zinc/03/15/09/939031509.db2.gz KUORCJAQDBFKSI-BQYQJAHWSA-N -1 0 315.413 3.529 20 0 DHADRM Cc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1Cl ZINC000160224537 939032820 /nfs/dbraw/zinc/03/28/20/939032820.db2.gz YSTYEEJQNLECQD-UHFFFAOYSA-N -1 0 309.793 3.556 20 0 DHADRM Cc1csc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1Cl ZINC000235959496 939043752 /nfs/dbraw/zinc/04/37/52/939043752.db2.gz AAZBVTMGQHSEAP-UHFFFAOYSA-N -1 0 315.822 3.617 20 0 DHADRM CC[C@](NC(=O)/C=C(\C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000766971837 939085155 /nfs/dbraw/zinc/08/51/55/939085155.db2.gz WHNHQWBCMLZVFV-DAMWEWLOSA-N -1 0 323.392 3.596 20 0 DHADRM CC[C@@](NC(=O)/C=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000776618785 939089297 /nfs/dbraw/zinc/08/92/97/939089297.db2.gz ACIKBDDSAMKWJD-KQDNUWKFSA-N -1 0 315.413 3.629 20 0 DHADRM Cc1cc(C)cc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000316224087 939121925 /nfs/dbraw/zinc/12/19/25/939121925.db2.gz AZGSRXKAEWPDGB-UHFFFAOYSA-N -1 0 304.390 3.603 20 0 DHADRM CC[C@](NC(=O)C=C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540811 939157323 /nfs/dbraw/zinc/15/73/23/939157323.db2.gz GLMKCZGOIAKDIV-QGZVFWFLSA-N -1 0 321.804 3.647 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448999385 939206584 /nfs/dbraw/zinc/20/65/84/939206584.db2.gz XCRAVDXKULWHHI-BXUZGUMPSA-N -1 0 309.431 3.597 20 0 DHADRM CC[C@@](NC(=O)CCCC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000485353850 939225184 /nfs/dbraw/zinc/22/51/84/939225184.db2.gz PXEDTROKONUZGG-SFHVURJKSA-N -1 0 305.418 3.709 20 0 DHADRM CC[C@@](NC(=O)[C@H](C)CC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000485375050 939228249 /nfs/dbraw/zinc/22/82/49/939228249.db2.gz RAWWUZGMVJOVNA-KUHUBIRLSA-N -1 0 317.429 3.709 20 0 DHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCCC1 ZINC000902412703 939286136 /nfs/dbraw/zinc/28/61/36/939286136.db2.gz OIYLKXMJQCOGHG-GFCCVEGCSA-N -1 0 315.291 3.593 20 0 DHADRM CC1(CNC(=O)N[C@H](C(=O)[O-])c2ccsc2)CCCCCC1 ZINC000567671623 939363471 /nfs/dbraw/zinc/36/34/71/939363471.db2.gz QIQCXCMOUQTUBN-ZDUSSCGKSA-N -1 0 324.446 3.534 20 0 DHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000910093337 939752277 /nfs/dbraw/zinc/75/22/77/939752277.db2.gz IHDZGNISTFGBKE-GFCCVEGCSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)=C1CCC1 ZINC000910935571 939759320 /nfs/dbraw/zinc/75/93/20/939759320.db2.gz IBNGLCWPSVFWGG-QGZVFWFLSA-N -1 0 309.365 3.582 20 0 DHADRM CC[C@](NC(=O)Nc1csc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000630551384 939824572 /nfs/dbraw/zinc/82/45/72/939824572.db2.gz UAVPVQFECFTEMF-MRXNPFEDSA-N -1 0 318.398 3.568 20 0 DHADRM Cc1cscc1NC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000654798094 939839584 /nfs/dbraw/zinc/83/95/84/939839584.db2.gz HWPAJZLDLIQMOT-AWEZNQCLSA-N -1 0 318.398 3.621 20 0 DHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)sc1C ZINC000659162103 939848453 /nfs/dbraw/zinc/84/84/53/939848453.db2.gz MOPRQPAEAWZAFE-CYBMUJFWSA-N -1 0 323.439 3.626 20 0 DHADRM Cc1cc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)ccc1C(=O)[O-] ZINC001600251769 970783960 /nfs/dbraw/zinc/78/39/60/970783960.db2.gz JZMSELZBOIBYKX-CRAIPNDOSA-N -1 0 313.328 3.517 20 0 DHADRM Cc1cccc(C)c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000322701300 970919956 /nfs/dbraw/zinc/91/99/56/970919956.db2.gz NIUYKGFBIGCSCD-CQSZACIVSA-N -1 0 309.365 3.522 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC000323599967 971021197 /nfs/dbraw/zinc/02/11/97/971021197.db2.gz IHWVVZHCNDGONB-HNNXBMFYSA-N -1 0 321.461 3.552 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)NCCC[C@H]2C=CCC2)c1 ZINC001602043158 971127717 /nfs/dbraw/zinc/12/77/17/971127717.db2.gz SFQPFHIVQRPBHT-AWEZNQCLSA-N -1 0 316.401 3.572 20 0 DHADRM O=C([O-])CS[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC001602097647 971153538 /nfs/dbraw/zinc/15/35/38/971153538.db2.gz YZXKHJFVNXHATE-AWEZNQCLSA-N -1 0 300.807 3.626 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)c2ccccc2n1 ZINC000324755704 971154138 /nfs/dbraw/zinc/15/41/38/971154138.db2.gz VTAHJAHQZMGZAM-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000013261484 948780394 /nfs/dbraw/zinc/78/03/94/948780394.db2.gz NWCUPGJVURFDAY-UHFFFAOYSA-N -1 0 303.745 3.610 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccccc1Cl ZINC000013431960 948781581 /nfs/dbraw/zinc/78/15/81/948781581.db2.gz NRZMTRSGBQANBE-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CCC(F)(F)c1ccccc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001589562149 948828340 /nfs/dbraw/zinc/82/83/40/948828340.db2.gz REVBVZPMXBKGIE-HNNXBMFYSA-N -1 0 311.328 3.628 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2cccc(Cl)c2Cl)CCCC1 ZINC000040558278 948855927 /nfs/dbraw/zinc/85/59/27/948855927.db2.gz YHKXLRKYEYUJFO-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM CCC(NC(=O)Nc1ccc(C(=O)[O-])cc1F)(C1CC1)C1CC1 ZINC001589565642 948864163 /nfs/dbraw/zinc/86/41/63/948864163.db2.gz HQSAPNMHNPIMRZ-UHFFFAOYSA-N -1 0 320.364 3.614 20 0 DHADRM CCCC[C@@H](NC(=O)CCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000347266422 971522965 /nfs/dbraw/zinc/52/29/65/971522965.db2.gz VWYCLPRXYGFCCO-MRXNPFEDSA-N -1 0 305.418 3.502 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C(C)=C/c2ccc(C)cc2)C1 ZINC001589583956 949022281 /nfs/dbraw/zinc/02/22/81/949022281.db2.gz IWFUQWNEIUFVJI-LBKOFNPBSA-N -1 0 315.413 3.502 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)F)c2)c(F)c1 ZINC000358610212 971532283 /nfs/dbraw/zinc/53/22/83/971532283.db2.gz PVECYTATMJGZFA-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 ZINC001589591964 949096204 /nfs/dbraw/zinc/09/62/04/949096204.db2.gz ULSGRJNXKFFBMP-IFCKCIONSA-N -1 0 311.397 3.524 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)CC(=O)[O-] ZINC000088273666 949102481 /nfs/dbraw/zinc/10/24/81/949102481.db2.gz LFZRVORULWPDKH-NSHDSACASA-N -1 0 312.797 3.599 20 0 DHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001595220658 949238359 /nfs/dbraw/zinc/23/83/59/949238359.db2.gz AMXYOSBPKJMUFR-MSOLQXFVSA-N -1 0 323.392 3.699 20 0 DHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC001589612494 949334710 /nfs/dbraw/zinc/33/47/10/949334710.db2.gz PGZBXEAYTSAZCE-JKSUJKDBSA-N -1 0 305.418 3.709 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC001602801401 971576168 /nfs/dbraw/zinc/57/61/68/971576168.db2.gz MJYTVSRHYZMVKY-CZUORRHYSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1cccc(C(=O)NCc2cccc(Cl)c2Cl)c1 ZINC001595241215 949458553 /nfs/dbraw/zinc/45/85/53/949458553.db2.gz GGYWZMARNRCHSM-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM CCCC(=CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])CCC ZINC001589627374 949510914 /nfs/dbraw/zinc/51/09/14/949510914.db2.gz QPJBDDUQDUPRBY-GOSISDBHSA-N -1 0 315.413 3.724 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n[nH]1 ZINC001589631238 949543597 /nfs/dbraw/zinc/54/35/97/949543597.db2.gz BYBSDNGYLHJDEG-LLVKDONJSA-N -1 0 315.373 3.572 20 0 DHADRM CCC[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC001589634328 949591880 /nfs/dbraw/zinc/59/18/80/949591880.db2.gz PHPYNAQLUFBDRA-KBPBESRZSA-N -1 0 314.470 3.637 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001595255259 949591970 /nfs/dbraw/zinc/59/19/70/949591970.db2.gz KXOAYEIXVGZUPM-UONOGXRCSA-N -1 0 313.328 3.656 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001595255258 949593246 /nfs/dbraw/zinc/59/32/46/949593246.db2.gz KXOAYEIXVGZUPM-KGLIPLIRSA-N -1 0 313.328 3.656 20 0 DHADRM CCC[C@H](C)CCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589634934 949603533 /nfs/dbraw/zinc/60/35/33/949603533.db2.gz WBJMKEZQDPWVHY-ZDUSSCGKSA-N -1 0 306.406 3.652 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1cccc2ccsc21 ZINC001595256225 949619764 /nfs/dbraw/zinc/61/97/64/949619764.db2.gz SRPWUPMYNGXSOY-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1CCCC12CCCCC2 ZINC001595256365 949622161 /nfs/dbraw/zinc/62/21/61/949622161.db2.gz XVLJWHDFTFPZRB-UHFFFAOYSA-N -1 0 302.374 3.715 20 0 DHADRM CCCC1CCC(N(C)C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001589637356 949626511 /nfs/dbraw/zinc/62/65/11/949626511.db2.gz FBHXCZNMHUKCSL-UHFFFAOYSA-N -1 0 319.405 3.602 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589637922 949639469 /nfs/dbraw/zinc/63/94/69/949639469.db2.gz VGTQCRQEZIJJBF-CJNGLKHVSA-N -1 0 303.402 3.721 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001589645071 949717765 /nfs/dbraw/zinc/71/77/65/949717765.db2.gz MMROAZCHVMZPJB-CYBMUJFWSA-N -1 0 323.437 3.638 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589672287 949944051 /nfs/dbraw/zinc/94/40/51/949944051.db2.gz AZDGWOCHNBFYHT-UHFFFAOYSA-N -1 0 319.405 3.604 20 0 DHADRM Cc1nc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2s1 ZINC000237849381 949979577 /nfs/dbraw/zinc/97/95/77/949979577.db2.gz VQOLLJLYSUYIEC-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C ZINC001589681620 950055048 /nfs/dbraw/zinc/05/50/48/950055048.db2.gz WYIKTZQNOPGZKL-MRXNPFEDSA-N -1 0 319.401 3.613 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262097024 950063767 /nfs/dbraw/zinc/06/37/67/950063767.db2.gz LTEXORMWWWSIQE-CHWSQXEVSA-N -1 0 307.415 3.627 20 0 DHADRM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cccc(Cl)c1 ZINC000262104298 950065196 /nfs/dbraw/zinc/06/51/96/950065196.db2.gz CYPKVYIZESRCPD-WFASDCNBSA-N -1 0 323.820 3.689 20 0 DHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(Cl)c1 ZINC000262104295 950065351 /nfs/dbraw/zinc/06/53/51/950065351.db2.gz CYPKVYIZESRCPD-IUODEOHRSA-N -1 0 323.820 3.689 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC001589691429 950117789 /nfs/dbraw/zinc/11/77/89/950117789.db2.gz LKNRMQHCAGOUQL-WCFLWFBJSA-N -1 0 323.458 3.566 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@@H](C)CC(=O)[O-])o2)c1 ZINC000262771285 950165703 /nfs/dbraw/zinc/16/57/03/950165703.db2.gz MIXQUKJONKDPBU-LBPRGKRZSA-N -1 0 315.369 3.663 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000263013993 950215618 /nfs/dbraw/zinc/21/56/18/950215618.db2.gz CPHMBWIJTAWLEU-WPRPVWTQSA-N -1 0 320.191 3.675 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)N(C)CCC(=O)[O-] ZINC000263085431 950254773 /nfs/dbraw/zinc/25/47/73/950254773.db2.gz RVYSQDGBQZQTER-UHFFFAOYSA-N -1 0 306.406 3.701 20 0 DHADRM O=C([O-])CC[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000263089248 950257402 /nfs/dbraw/zinc/25/74/02/950257402.db2.gz IRFJWUGLCOTWAO-GFCCVEGCSA-N -1 0 313.800 3.598 20 0 DHADRM CCN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@H](C)C(=O)[O-] ZINC001589711132 950328857 /nfs/dbraw/zinc/32/88/57/950328857.db2.gz NIHSHXDQBVHSCU-LLVKDONJSA-N -1 0 311.337 3.521 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)sc1Cl ZINC000263522271 950502197 /nfs/dbraw/zinc/50/21/97/950502197.db2.gz ROXDIFHBDSJUKY-HTQZYQBOSA-N -1 0 308.230 3.740 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000263543636 950507497 /nfs/dbraw/zinc/50/74/97/950507497.db2.gz FKOAKNQYQHQYLI-BBRMVZONSA-N -1 0 303.402 3.584 20 0 DHADRM CCN(CCc1cccs1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589734998 950528990 /nfs/dbraw/zinc/52/89/90/950528990.db2.gz QYUVUQTZJKKSDQ-UHFFFAOYSA-N -1 0 318.398 3.543 20 0 DHADRM CC(C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000315979662 950861191 /nfs/dbraw/zinc/86/11/91/950861191.db2.gz ZWSBWJBOJVVREQ-CQSZACIVSA-N -1 0 317.410 3.502 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)c2ccccc21 ZINC001602854482 971703832 /nfs/dbraw/zinc/70/38/32/971703832.db2.gz LGLJNQVTOBUAFG-YJYMSZOUSA-N -1 0 315.413 3.664 20 0 DHADRM CC1CCN(c2ccc(NC(=O)CCCCC(=O)[O-])cc2)CC1 ZINC000319723285 950966217 /nfs/dbraw/zinc/96/62/17/950966217.db2.gz 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951313872 /nfs/dbraw/zinc/31/38/72/951313872.db2.gz UNFOLCOOCCBTTQ-JTQLQIEISA-N -1 0 317.763 3.695 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000387698055 951319240 /nfs/dbraw/zinc/31/92/40/951319240.db2.gz LNAFRFQRCCHQQS-INIZCTEOSA-N -1 0 322.430 3.517 20 0 DHADRM O=C([O-])CCS[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC001595063778 951529034 /nfs/dbraw/zinc/52/90/34/951529034.db2.gz XRUKRPCINQMFHO-MRXNPFEDSA-N -1 0 315.394 3.574 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)NCC[C@@H]2CC=CCC2)c1 ZINC001595066780 951558015 /nfs/dbraw/zinc/55/80/15/951558015.db2.gz QMMCIPUAQHTPKE-CQSZACIVSA-N -1 0 316.401 3.572 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001602933607 971899108 /nfs/dbraw/zinc/89/91/08/971899108.db2.gz BVWRDTGPNNVMJY-GHMZBOCLSA-N -1 0 323.355 3.505 20 0 DHADRM CCSc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001593597588 953381634 /nfs/dbraw/zinc/38/16/34/953381634.db2.gz MJMUMQSLRZIDCF-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM 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3.810 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000123258608 958496211 /nfs/dbraw/zinc/49/62/11/958496211.db2.gz LDTWCDKTHIBDAZ-JTQLQIEISA-N -1 0 323.439 3.680 20 0 DHADRM Cc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001594372583 958548036 /nfs/dbraw/zinc/54/80/36/958548036.db2.gz DKTCLAFGZZLADH-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1ccc(OC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1Cl ZINC001594375140 958579795 /nfs/dbraw/zinc/57/97/95/958579795.db2.gz XJSCRFURXPXQMW-PLNGDYQASA-N -1 0 306.701 3.558 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC001573372567 958640813 /nfs/dbraw/zinc/64/08/13/958640813.db2.gz WQVMSEJUQAKYEN-SSDOTTSWSA-N -1 0 317.357 3.515 20 0 DHADRM COc1cccc2c1CCCCN2Cc1ccc(C(=O)[O-])cc1 ZINC001594134908 958695251 /nfs/dbraw/zinc/69/52/51/958695251.db2.gz VXVMCZGSIWVRJY-UHFFFAOYSA-N -1 0 311.381 3.736 20 0 DHADRM Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])s1)C[C@@H](C)O2 ZINC001594390671 958712537 /nfs/dbraw/zinc/71/25/37/958712537.db2.gz 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/nfs/dbraw/zinc/87/97/92/958879792.db2.gz HGWZBXRTKSPDGN-UHFFFAOYSA-N -1 0 317.429 3.687 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594410971 958948108 /nfs/dbraw/zinc/94/81/08/958948108.db2.gz GYDFCVSFIWFYIM-CHWSQXEVSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC000138546236 958950372 /nfs/dbraw/zinc/95/03/72/958950372.db2.gz XPCMOFHQQZXNSG-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM CC(C)[C@@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccccc1 ZINC001573490666 959021698 /nfs/dbraw/zinc/02/16/98/959021698.db2.gz ZJSPWMFUCNGZAN-OAHLLOKOSA-N -1 0 312.369 3.548 20 0 DHADRM CC(C)C[C@H](C)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573509420 959081237 /nfs/dbraw/zinc/08/12/37/959081237.db2.gz HNYMPBQIVFXEMZ-GJZGRUSLSA-N -1 0 317.429 3.739 20 0 DHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC001594425428 959115129 /nfs/dbraw/zinc/11/51/29/959115129.db2.gz FTZXTUZIFCKRLA-UWVGGRQHSA-N -1 0 307.396 3.558 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594425524 959117178 /nfs/dbraw/zinc/11/71/78/959117178.db2.gz LZIULJASPKDDIH-AGIUHOORSA-N -1 0 323.458 3.556 20 0 DHADRM CC(C)[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588570201 959180037 /nfs/dbraw/zinc/18/00/37/959180037.db2.gz OBYMDFAESGWPTC-IUODEOHRSA-N -1 0 305.418 3.518 20 0 DHADRM CSc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC001594195291 959191496 /nfs/dbraw/zinc/19/14/96/959191496.db2.gz YAKHSPGQJDPPLA-CYBMUJFWSA-N -1 0 303.383 3.580 20 0 DHADRM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC001594202129 959256917 /nfs/dbraw/zinc/25/69/17/959256917.db2.gz WYJOATYZBQRXTJ-SNVBAGLBSA-N -1 0 318.760 3.602 20 0 DHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(C(=O)[O-])cc1)C2 ZINC001573566151 959287321 /nfs/dbraw/zinc/28/73/21/959287321.db2.gz AYSJCAOGGPKTCV-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573580560 959351242 /nfs/dbraw/zinc/35/12/42/959351242.db2.gz PBYKRGAFRVYSKJ-GFCCVEGCSA-N -1 0 315.344 3.731 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCc1ccccn1 ZINC000178479607 959429704 /nfs/dbraw/zinc/42/97/04/959429704.db2.gz KWCNGAJGXWJRIW-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001594227674 959440811 /nfs/dbraw/zinc/44/08/11/959440811.db2.gz DRGARMGWGXMZAO-HWPZZCPQSA-N -1 0 322.430 3.630 20 0 DHADRM CN(C(=O)c1cc(C(=O)[O-])co1)c1ccc(C(C)(C)C)cc1 ZINC000183772029 959448552 /nfs/dbraw/zinc/44/85/52/959448552.db2.gz CBTKTCGHHIDCDG-UHFFFAOYSA-N -1 0 301.342 3.552 20 0 DHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183796344 959449663 /nfs/dbraw/zinc/44/96/63/959449663.db2.gz QXUPANFCAIAPPX-CYBMUJFWSA-N -1 0 317.341 3.637 20 0 DHADRM C[C@](Cc1ccccc1)(NC(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC001573607753 959458454 /nfs/dbraw/zinc/45/84/54/959458454.db2.gz HWEZIKLLJOGZEW-HXUWFJFHSA-N -1 0 323.392 3.526 20 0 DHADRM C[C@@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000183969006 959461003 /nfs/dbraw/zinc/46/10/03/959461003.db2.gz XLJDUSMPAMWOHO-XBFCOCLRSA-N -1 0 315.369 3.501 20 0 DHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573608802 959470676 /nfs/dbraw/zinc/47/06/76/959470676.db2.gz ZOICTOMPYRQING-CZUORRHYSA-N -1 0 319.445 3.604 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC001594231213 959471728 /nfs/dbraw/zinc/47/17/28/959471728.db2.gz MTLNTXVJKGOKNQ-BFUOFWGJSA-N -1 0 310.349 3.508 20 0 DHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCCCC1 ZINC001594235588 959508761 /nfs/dbraw/zinc/50/87/61/959508761.db2.gz PWLUWWKKYUQOOF-AWEZNQCLSA-N -1 0 324.465 3.632 20 0 DHADRM CCCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(C)c1 ZINC000190620528 959514268 /nfs/dbraw/zinc/51/42/68/959514268.db2.gz PCIMXWXOAJUUNA-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM Cc1ccc(F)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191431104 959568822 /nfs/dbraw/zinc/56/88/22/959568822.db2.gz YQUBVERIEOFHKN-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)C1CCCCCC1 ZINC000191526272 959578031 /nfs/dbraw/zinc/57/80/31/959578031.db2.gz BYRACZRJQPWRAV-KRWDZBQOSA-N -1 0 317.429 3.549 20 0 DHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573644069 959630597 /nfs/dbraw/zinc/63/05/97/959630597.db2.gz VJBZKVVOMGQFDU-SNVBAGLBSA-N -1 0 319.357 3.643 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588643728 959717028 /nfs/dbraw/zinc/71/70/28/959717028.db2.gz SXSQKSWDCLFKON-SFRZCGLPSA-N -1 0 319.401 3.712 20 0 DHADRM CC1(C)CN(C(=O)CCCCC(=O)[O-])c2ccccc2S1 ZINC001573675842 959725308 /nfs/dbraw/zinc/72/53/08/959725308.db2.gz QSSWUDASERVFLI-UHFFFAOYSA-N -1 0 307.415 3.549 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)[O-] ZINC001588645130 959728437 /nfs/dbraw/zinc/72/84/37/959728437.db2.gz HTXBJMUHSGTRCX-NSHDSACASA-N -1 0 319.392 3.598 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C1(C(F)(F)F)CCCC1)C(=O)[O-] ZINC001588646834 959742211 /nfs/dbraw/zinc/74/22/11/959742211.db2.gz ZZWLKMUXMBCPCP-SNVBAGLBSA-N -1 0 323.355 3.505 20 0 DHADRM Cc1cc(-c2nc(C3(C(=O)[O-])CCC3)no2)c(C)cc1Cl ZINC001594267999 959759905 /nfs/dbraw/zinc/75/99/05/959759905.db2.gz BBLXDMKRWYHALE-UHFFFAOYSA-N -1 0 306.749 3.513 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001588652975 959787367 /nfs/dbraw/zinc/78/73/67/959787367.db2.gz YDSQCHBJJXXJJQ-UHFFFAOYSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@H]1CC(CNC(=O)C2(C(=O)[O-])CCCCCC2)C[C@H](C)C1 ZINC001573698900 959809604 /nfs/dbraw/zinc/80/96/04/959809604.db2.gz QBTKSBNSKCMHTM-ZIAGYGMSSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@H]1C[C@@H](CC(=O)Nc2cccnc2C(=O)[O-])CC(C)(C)C1 ZINC001573702373 959842836 /nfs/dbraw/zinc/84/28/36/959842836.db2.gz YYBNWVUBKCQYTR-RYUDHWBXSA-N -1 0 304.390 3.571 20 0 DHADRM COc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001574232128 960412858 /nfs/dbraw/zinc/41/28/58/960412858.db2.gz PHOVQONVBWDWEA-UHFFFAOYSA-N -1 0 314.341 3.654 20 0 DHADRM C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000235451776 960435625 /nfs/dbraw/zinc/43/56/25/960435625.db2.gz BBHKTSSQEJSIGK-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM COc1ccccc1[C@H](C)OC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574239322 960458412 /nfs/dbraw/zinc/45/84/12/960458412.db2.gz NCTXDLYDWUHTLR-ZDUSSCGKSA-N -1 0 320.385 3.725 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001123364933 960458338 /nfs/dbraw/zinc/45/83/38/960458338.db2.gz VAXHTZUIDKXBSO-BETUJISGSA-N -1 0 303.402 3.983 20 0 DHADRM CSc1cc(C)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574257574 960544771 /nfs/dbraw/zinc/54/47/71/960544771.db2.gz QEDFOWDHGIUWKB-YVMONPNESA-N -1 0 317.366 3.660 20 0 DHADRM CCN(Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1F ZINC001231461462 960614088 /nfs/dbraw/zinc/61/40/88/960614088.db2.gz VQMYLKLMQKNZMG-UHFFFAOYSA-N -1 0 305.324 3.685 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001573767846 960630128 /nfs/dbraw/zinc/63/01/28/960630128.db2.gz GVUOIKHPOWPYCX-PVNSAFDJSA-N -1 0 321.461 3.599 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001573769889 960657368 /nfs/dbraw/zinc/65/73/68/960657368.db2.gz GYVYSRWGEGETHV-ZIAGYGMSSA-N -1 0 317.429 3.557 20 0 DHADRM CC(C)Sc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000236620896 960717149 /nfs/dbraw/zinc/71/71/49/960717149.db2.gz OIQOSOJAKCBEER-UHFFFAOYSA-N -1 0 323.458 3.952 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC001573783665 960718653 /nfs/dbraw/zinc/71/86/53/960718653.db2.gz PPYYYYSHTLIFTL-RBSFLKMASA-N -1 0 309.450 3.600 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC001573783667 960718731 /nfs/dbraw/zinc/71/87/31/960718731.db2.gz PPYYYYSHTLIFTL-SOUVJXGZSA-N -1 0 309.450 3.600 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2cc(C)c(F)cc2s1 ZINC001573784605 960730992 /nfs/dbraw/zinc/73/09/92/960730992.db2.gz GYXMVXALEUQALD-UHFFFAOYSA-N -1 0 324.377 3.573 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000236677871 960731131 /nfs/dbraw/zinc/73/11/31/960731131.db2.gz GCZYIZIPGCIMRJ-LBPRGKRZSA-N -1 0 322.792 3.585 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000236802697 960760134 /nfs/dbraw/zinc/76/01/34/960760134.db2.gz QBSRMBYJBKXFLI-CHWSQXEVSA-N -1 0 311.447 3.987 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000236865828 960782235 /nfs/dbraw/zinc/78/22/35/960782235.db2.gz BNPLULHAKNJYRS-OQPBUACISA-N -1 0 323.389 3.578 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCCc3ccccc32)c1 ZINC001574316085 960789136 /nfs/dbraw/zinc/78/91/36/960789136.db2.gz XKOHLGJOHPFSLU-UHFFFAOYSA-N -1 0 309.365 3.676 20 0 DHADRM CC[C@@H](CNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C)C(=O)[O-] ZINC001573803790 960834509 /nfs/dbraw/zinc/83/45/09/960834509.db2.gz HDJMVLXOFUEJNT-RYUDHWBXSA-N -1 0 318.417 3.704 20 0 DHADRM CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000237040307 960849990 /nfs/dbraw/zinc/84/99/90/960849990.db2.gz QBTSTUKRYQOTTG-GFCCVEGCSA-N -1 0 309.381 3.626 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001573808335 960863559 /nfs/dbraw/zinc/86/35/59/960863559.db2.gz BAKNHPFQPNPNHS-INIZCTEOSA-N -1 0 319.445 3.523 20 0 DHADRM Cc1cc(N(C)C)cc(C)c1NCc1ccc(C(=O)[O-])s1 ZINC001574332962 960897247 /nfs/dbraw/zinc/89/72/47/960897247.db2.gz IMWSPCADGLXXOC-UHFFFAOYSA-N -1 0 304.415 3.741 20 0 DHADRM CC[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573814852 960926011 /nfs/dbraw/zinc/92/60/11/960926011.db2.gz ZLBMYKDBIVBGJN-MARXPDLDSA-N -1 0 300.310 3.686 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(-c3nc4cc[nH]cc-4n3)o2)cc1 ZINC001320234300 960975343 /nfs/dbraw/zinc/97/53/43/960975343.db2.gz XZQRTQQWFVWTLX-UHFFFAOYSA-N -1 0 305.293 3.583 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)NCCCCCCCC(=O)[O-] ZINC000237704679 961001899 /nfs/dbraw/zinc/00/18/99/961001899.db2.gz MNVJMYUKFJPYPF-UHFFFAOYSA-N -1 0 316.401 3.631 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnc2ccccc2c1C ZINC001321954219 961004408 /nfs/dbraw/zinc/00/44/08/961004408.db2.gz PKMWZDRXUFUTRI-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001324717517 961043560 /nfs/dbraw/zinc/04/35/60/961043560.db2.gz ZASMCCPLWDRVAW-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574374178 961078554 /nfs/dbraw/zinc/07/85/54/961078554.db2.gz MZUSFMWAGXOWNM-PWSUYJOCSA-N -1 0 324.808 3.531 20 0 DHADRM CCCC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C1CCC1 ZINC001573841468 961083076 /nfs/dbraw/zinc/08/30/76/961083076.db2.gz TUEHQHXBZNQZNM-MRXNPFEDSA-N -1 0 318.417 3.543 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001326374872 961084968 /nfs/dbraw/zinc/08/49/68/961084968.db2.gz BFFHJJXCORXLOU-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CC(C)[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000037793782 1013226365 /nfs/dbraw/zinc/22/63/65/1013226365.db2.gz POIUOUNOKRQPBT-MRXNPFEDSA-N -1 0 311.809 3.798 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC001588739408 961149980 /nfs/dbraw/zinc/14/99/80/961149980.db2.gz GCHFEXYDIMLSPZ-QGZVFWFLSA-N -1 0 323.820 3.717 20 0 DHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC001588739613 961156376 /nfs/dbraw/zinc/15/63/76/961156376.db2.gz MUVDLFJJCZIJPA-UHFFFAOYSA-N -1 0 319.382 3.702 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001588740945 961163197 /nfs/dbraw/zinc/16/31/97/961163197.db2.gz CLDDIJBRQMLFLS-GHMZBOCLSA-N -1 0 309.793 3.687 20 0 DHADRM Cc1cccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC001574398143 961222718 /nfs/dbraw/zinc/22/27/18/961222718.db2.gz HNGZXQANSIMNIM-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001574402821 961244571 /nfs/dbraw/zinc/24/45/71/961244571.db2.gz LWVFMPRCHORAKL-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001574402465 961245125 /nfs/dbraw/zinc/24/51/25/961245125.db2.gz ZEUKHNTYVVBLOF-PBHICJAKSA-N -1 0 323.392 3.704 20 0 DHADRM Cc1cccc2ncnc(N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)c12 ZINC001574403461 961247280 /nfs/dbraw/zinc/24/72/80/961247280.db2.gz UYZFSLCZNCSNJA-GDBMZVCRSA-N -1 0 319.364 3.663 20 0 DHADRM O=C([O-])c1csc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000683328973 1013243330 /nfs/dbraw/zinc/24/33/30/1013243330.db2.gz KKSOCBDMYCOJQT-DTWKUNHWSA-N -1 0 321.320 3.754 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCC3(CC3)CC2)cc1 ZINC001329808309 961309804 /nfs/dbraw/zinc/30/98/04/961309804.db2.gz BXKYOTWLIHCNNC-INIZCTEOSA-N -1 0 315.413 3.597 20 0 DHADRM Cc1nc(C(C)C)ccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574416918 961323332 /nfs/dbraw/zinc/32/33/32/961323332.db2.gz BOKVPJDDZVNCFL-HNNXBMFYSA-N -1 0 320.433 3.523 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC001330253416 961335651 /nfs/dbraw/zinc/33/56/51/961335651.db2.gz MDRXVFSHDZLHGZ-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM CSc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001331950167 961430391 /nfs/dbraw/zinc/43/03/91/961430391.db2.gz KIDNAIRIYXOZKY-HNNXBMFYSA-N -1 0 307.440 3.560 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262084719 961445084 /nfs/dbraw/zinc/44/50/84/961445084.db2.gz BWCSHSJFQPQKQS-CJNGLKHVSA-N -1 0 317.429 3.648 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262247634 961590862 /nfs/dbraw/zinc/59/08/62/961590862.db2.gz VEIIVSTYJFAKOT-NVXWUHKLSA-N -1 0 317.429 3.793 20 0 DHADRM CCS[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C(C)C ZINC000262423238 961711451 /nfs/dbraw/zinc/71/14/51/961711451.db2.gz AWPAPHUXWSJOCD-AWEZNQCLSA-N -1 0 309.431 3.718 20 0 DHADRM Cc1ncc(C(=O)Nc2cccc(Cl)c2[O-])c(C(C)C)n1 ZINC000179727176 1013279649 /nfs/dbraw/zinc/27/96/49/1013279649.db2.gz DXDWQMKHIBFNSU-UHFFFAOYSA-N -1 0 305.765 3.520 20 0 DHADRM Cc1oc(CN(C)C(=O)CCCC2CCCCC2)cc1C(=O)[O-] ZINC000262483017 961745497 /nfs/dbraw/zinc/74/54/97/961745497.db2.gz KTQMUHLHXLYGEE-UHFFFAOYSA-N -1 0 321.417 3.995 20 0 DHADRM COc1cc(NC(=O)CCC2CCCCC2)ccc1C(=O)[O-] ZINC000262503035 961755048 /nfs/dbraw/zinc/75/50/48/961755048.db2.gz MEXIJRSQOZMHBT-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM O=C([O-])CCc1cccc(NC2CCC3(CCCO3)CC2)c1 ZINC001334042397 961756138 /nfs/dbraw/zinc/75/61/38/961756138.db2.gz KSNCPKIZNAETKB-UHFFFAOYSA-N -1 0 303.402 3.608 20 0 DHADRM O=C([O-])CCc1ccc(NC2CCC3(CCCO3)CC2)cc1 ZINC001334777405 961823780 /nfs/dbraw/zinc/82/37/80/961823780.db2.gz QSEIZGLREBOBFY-UHFFFAOYSA-N -1 0 303.402 3.608 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262730377 961834897 /nfs/dbraw/zinc/83/48/97/961834897.db2.gz ULESXIPSJLHHIH-HDJSIYSDSA-N -1 0 319.401 3.613 20 0 DHADRM COc1cc(C)sc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000262824750 961891074 /nfs/dbraw/zinc/89/10/74/961891074.db2.gz AZSHTEGBJXQOFL-JTQLQIEISA-N -1 0 319.382 3.506 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC001588848086 961907093 /nfs/dbraw/zinc/90/70/93/961907093.db2.gz DLPYKPNDUBWQSH-RRFJBIMHSA-N -1 0 311.466 3.702 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588867424 962024671 /nfs/dbraw/zinc/02/46/71/962024671.db2.gz IFAAVNDHMWRVCR-CJNGLKHVSA-N -1 0 303.402 3.720 20 0 DHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])cc3C)cc2c1 ZINC001340794839 962112684 /nfs/dbraw/zinc/11/26/84/962112684.db2.gz IGJHBINVCQSJEA-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001588883100 962162575 /nfs/dbraw/zinc/16/25/75/962162575.db2.gz PASYKUXMJBWRMS-OAHLLOKOSA-N -1 0 304.390 3.575 20 0 DHADRM CC(C)C[C@H](NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001588899675 962251266 /nfs/dbraw/zinc/25/12/66/962251266.db2.gz UDTCCMJAFGNZEC-XZEPIBEGSA-N -1 0 309.450 3.621 20 0 DHADRM O=C([O-])[C@@H](C(=O)OCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC001574621581 962257727 /nfs/dbraw/zinc/25/77/27/962257727.db2.gz SKVONOLVXWKEFL-KRWDZBQOSA-N -1 0 310.349 3.508 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)C23CCC(CC2)CC3)c2ccccc21 ZINC001345777997 962291898 /nfs/dbraw/zinc/29/18/98/962291898.db2.gz ACLMUTDXLGCHDF-BIWSTMPVSA-N -1 0 313.397 3.562 20 0 DHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCCC(=O)[O-])c1 ZINC000263242018 962388270 /nfs/dbraw/zinc/38/82/70/962388270.db2.gz CKRCFLZTLPOVFE-MRXNPFEDSA-N -1 0 303.402 3.612 20 0 DHADRM CC(C)c1ccc(C[C@H](C)NC(=O)CCCCC(=O)[O-])cc1 ZINC000263250148 962392847 /nfs/dbraw/zinc/39/28/47/962392847.db2.gz DTGJACJWMRPYBX-AWEZNQCLSA-N -1 0 305.418 3.502 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000263268732 962407776 /nfs/dbraw/zinc/40/77/76/962407776.db2.gz HVZABCXNCSBDLJ-UHFFFAOYSA-N -1 0 319.401 3.729 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000263311267 962454385 /nfs/dbraw/zinc/45/43/85/962454385.db2.gz GMMCHZVOPAWZND-CJNGLKHVSA-N -1 0 305.418 3.781 20 0 DHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000263313793 962456492 /nfs/dbraw/zinc/45/64/92/962456492.db2.gz PSPBPMGXELHNOS-UHFFFAOYSA-N -1 0 323.392 3.841 20 0 DHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263337796 962488554 /nfs/dbraw/zinc/48/85/54/962488554.db2.gz WUNFEKWAUDBFKO-AWEZNQCLSA-N -1 0 307.390 3.677 20 0 DHADRM CC(C)c1nc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cs1 ZINC000263362054 962519025 /nfs/dbraw/zinc/51/90/25/962519025.db2.gz YRGKLKCMIWSKKO-JTQLQIEISA-N -1 0 318.398 3.707 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580622 1013358138 /nfs/dbraw/zinc/35/81/38/1013358138.db2.gz PQCIMJMZHPCDDJ-CBBWQLFWSA-N -1 0 311.466 3.845 20 0 DHADRM CC(=O)N(c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)C1CC1 ZINC000263422902 962593955 /nfs/dbraw/zinc/59/39/55/962593955.db2.gz PJUIOIKBRFXKQZ-UHFFFAOYSA-N -1 0 324.380 3.512 20 0 DHADRM O=C([O-])c1ccnc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 ZINC000263428247 962603206 /nfs/dbraw/zinc/60/32/06/962603206.db2.gz RWVVDDYSMXNPAI-QGZVFWFLSA-N -1 0 324.380 3.537 20 0 DHADRM CCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000263481785 962666607 /nfs/dbraw/zinc/66/66/07/962666607.db2.gz ATGYQMNZACNXNV-RISCZKNCSA-N -1 0 311.809 3.798 20 0 DHADRM O=C([O-])CCCCCNC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001574699681 962675807 /nfs/dbraw/zinc/67/58/07/962675807.db2.gz RXYXKSNPKSTACV-VXGBXAGGSA-N -1 0 323.355 3.506 20 0 DHADRM COc1ccccc1C[C@@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000263511320 962694055 /nfs/dbraw/zinc/69/40/55/962694055.db2.gz NMZZLZMARWKHOX-CQSZACIVSA-N -1 0 313.397 3.756 20 0 DHADRM O=C([O-])CCc1cccc(NCc2cnc(Cl)c(F)c2)c1 ZINC001574710537 962707113 /nfs/dbraw/zinc/70/71/13/962707113.db2.gz VQCAFKIOUCPZRY-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccoc1C(C)C ZINC000263527970 962708023 /nfs/dbraw/zinc/70/80/23/962708023.db2.gz KYEODESFWKVZCT-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000263535592 962714546 /nfs/dbraw/zinc/71/45/46/962714546.db2.gz OKBUAVWTDPRQEK-QGZVFWFLSA-N -1 0 309.365 3.826 20 0 DHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC000263566711 962733150 /nfs/dbraw/zinc/73/31/50/962733150.db2.gz GDYHMDSARUAAGI-OAHLLOKOSA-N -1 0 317.429 3.648 20 0 DHADRM CC/C(C)=C(\C)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001517445653 962800985 /nfs/dbraw/zinc/80/09/85/962800985.db2.gz AWKVPYAICLLTPO-LHNRBYRGSA-N -1 0 318.417 3.523 20 0 DHADRM Cc1sc(-c2cccc(C(=O)[O-])c2)nc1C1CCOCC1 ZINC000295274982 962912404 /nfs/dbraw/zinc/91/24/04/962912404.db2.gz HZNQXSQFEKDAMC-UHFFFAOYSA-N -1 0 303.383 3.711 20 0 DHADRM COc1cc(C)c(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cn1 ZINC001209868031 1013398817 /nfs/dbraw/zinc/39/88/17/1013398817.db2.gz HNHURYNKRHQJKH-UHFFFAOYSA-N -1 0 318.135 3.689 20 0 DHADRM CC1(C)C[C@@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001167972653 1013402853 /nfs/dbraw/zinc/40/28/53/1013402853.db2.gz NPXNZTWLBQPNKJ-GOSISDBHSA-N -1 0 317.335 3.726 20 0 DHADRM CCc1cc(=O)[nH]c(-c2ccc(N(CC)C[C@H](C)CC)nc2)n1 ZINC000579901278 1013427567 /nfs/dbraw/zinc/42/75/67/1013427567.db2.gz HVAOWHNBSIIRIG-CYBMUJFWSA-N -1 0 314.433 3.679 20 0 DHADRM CCc1ccc([O-])c(C(=O)N=[S@@](C)(=O)C2CCCCC2)c1 ZINC000926018878 1013440479 /nfs/dbraw/zinc/44/04/79/1013440479.db2.gz NKOJLJBUICWTNI-NRFANRHFSA-N -1 0 309.431 3.525 20 0 DHADRM CCCc1sc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1CC ZINC000314515188 963763564 /nfs/dbraw/zinc/76/35/64/963763564.db2.gz WYEHJSMIEMIKLB-ZDUSSCGKSA-N -1 0 323.458 3.732 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000315114315 963857722 /nfs/dbraw/zinc/85/77/22/963857722.db2.gz QUOKGRWXWRFMAG-LLVKDONJSA-N -1 0 322.792 3.680 20 0 DHADRM O=C([O-])CC1(NC(=O)CCc2ccccc2Cl)CCCCC1 ZINC000315403702 963896631 /nfs/dbraw/zinc/89/66/31/963896631.db2.gz OIDXZVSIOSUWPB-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM CC(C)CC1(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCCC1 ZINC000655584005 1013499385 /nfs/dbraw/zinc/49/93/85/1013499385.db2.gz DHOPNYCQVOTWMY-QLFBSQMISA-N -1 0 323.477 3.845 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353893989 1013520992 /nfs/dbraw/zinc/52/09/92/1013520992.db2.gz LVLKUZQNQSUYDE-UHFFFAOYSA-N -1 0 313.737 3.701 20 0 DHADRM CCC1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CCCC1 ZINC000262075821 1013566108 /nfs/dbraw/zinc/56/61/08/1013566108.db2.gz JLGZSEOACFEGNF-UHFFFAOYSA-N -1 0 314.385 3.635 20 0 DHADRM CCn1cc(CN(Cc2cccc(O)c2Cl)C(C)C)cn1 ZINC000651959741 1013635010 /nfs/dbraw/zinc/63/50/10/1013635010.db2.gz ARYAJIKWOCYKEP-UHFFFAOYSA-N -1 0 307.825 3.673 20 0 DHADRM C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]1(C)C(=O)[O-] ZINC000520241835 1013685589 /nfs/dbraw/zinc/68/55/89/1013685589.db2.gz OAHQJESZPHFZHI-YMTOWFKASA-N -1 0 302.201 3.536 20 0 DHADRM O=C(CSc1ccc(F)cc1)Nc1c(O)cccc1Cl ZINC000520263546 1013693136 /nfs/dbraw/zinc/69/31/36/1013693136.db2.gz ZBBAVVFVIPEWCY-UHFFFAOYSA-N -1 0 311.765 3.916 20 0 DHADRM Oc1ccc(-c2noc(C[C@H]3CCc4ccccc43)n2)c(F)c1 ZINC000683592193 1013697222 /nfs/dbraw/zinc/69/72/22/1013697222.db2.gz QUIUZRGNYPNKMJ-GFCCVEGCSA-N -1 0 310.328 3.854 20 0 DHADRM O=C([O-])c1ccc(CNc2nc(Cl)nc3ccccc32)cc1 ZINC000011756834 967495130 /nfs/dbraw/zinc/49/51/30/967495130.db2.gz JIZGNJIZJDMDAY-UHFFFAOYSA-N -1 0 313.744 3.594 20 0 DHADRM CC[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)[O-] ZINC000022611306 967501424 /nfs/dbraw/zinc/50/14/24/967501424.db2.gz IKGXSDWSORYHPH-VIFPVBQESA-N -1 0 312.441 3.619 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCCC2)Cc2ccccc21 ZINC000261646061 967805817 /nfs/dbraw/zinc/80/58/17/967805817.db2.gz DVSKNBPOEDKUJK-QGZVFWFLSA-N -1 0 315.413 3.558 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2O)sc1Cl ZINC000188449820 1013782413 /nfs/dbraw/zinc/78/24/13/1013782413.db2.gz FVLJOFDMXXAXMD-UHFFFAOYSA-N -1 0 317.819 3.525 20 0 DHADRM COc1ncc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1C ZINC001210314239 1013783160 /nfs/dbraw/zinc/78/31/60/1013783160.db2.gz FLLIQBZLNSASJP-UHFFFAOYSA-N -1 0 318.135 3.689 20 0 DHADRM CSc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccn1 ZINC000683631763 1013791791 /nfs/dbraw/zinc/79/17/91/1013791791.db2.gz XSCYEIGKBMDAIP-UHFFFAOYSA-N -1 0 312.753 3.554 20 0 DHADRM C[C@@](CNC(=O)CC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000521105818 968393643 /nfs/dbraw/zinc/39/36/43/968393643.db2.gz URSUWRZMIDURML-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CCSCc1cccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c1 ZINC000554605252 968408772 /nfs/dbraw/zinc/40/87/72/968408772.db2.gz KDXVJWNESKUAOA-FZMZJTMJSA-N -1 0 324.446 3.561 20 0 DHADRM CCSCc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC000595277671 968499091 /nfs/dbraw/zinc/49/90/91/968499091.db2.gz PMTDMWVUUSPMSS-UHFFFAOYSA-N -1 0 323.458 3.513 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@H](C)c1ccccc1F)CC(=O)[O-] ZINC000652086613 968612570 /nfs/dbraw/zinc/61/25/70/968612570.db2.gz DZCAVIGULGKQMX-KBPBESRZSA-N -1 0 323.408 3.573 20 0 DHADRM CC[C@@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000676217263 968861648 /nfs/dbraw/zinc/86/16/48/968861648.db2.gz QZJNUEGYQAKJDM-CVEARBPZSA-N -1 0 317.429 3.592 20 0 DHADRM CCCOc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000078880980 1013869756 /nfs/dbraw/zinc/86/97/56/1013869756.db2.gz NCDLQFGFBCYVEO-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM CC(C)(C)N1CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572993 1013870761 /nfs/dbraw/zinc/87/07/61/1013870761.db2.gz SARBQXLRUZMXTK-NSHDSACASA-N -1 0 317.216 3.510 20 0 DHADRM CC(C)C(=O)Nc1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903673659 969582022 /nfs/dbraw/zinc/58/20/22/969582022.db2.gz CAIOJVABYPZPEC-UHFFFAOYSA-N -1 0 318.398 3.653 20 0 DHADRM CC(C)n1nccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001210516019 1013900960 /nfs/dbraw/zinc/90/09/60/1013900960.db2.gz HJYZYAJOBXBBBD-UHFFFAOYSA-N -1 0 305.140 3.754 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1coc2ccc(Cl)cc21 ZINC001588655525 969893697 /nfs/dbraw/zinc/89/36/97/969893697.db2.gz CEUCLWNGMHHTFB-UHFFFAOYSA-N -1 0 323.776 3.659 20 0 DHADRM CCSCc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000610335198 1013938827 /nfs/dbraw/zinc/93/88/27/1013938827.db2.gz WJOMKNOHUWKAIN-LSDHHAIUSA-N -1 0 319.426 3.545 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2cc3cccc(C)c3o2)C(=O)[O-])c1 ZINC001594393687 970219308 /nfs/dbraw/zinc/21/93/08/970219308.db2.gz OTIZVZKUOISLII-MRXNPFEDSA-N -1 0 323.348 3.605 20 0 DHADRM COc1ccc(NC(=O)c2cc(Cl)ccc2C)c(C(=O)[O-])c1 ZINC000317427062 970357642 /nfs/dbraw/zinc/35/76/42/970357642.db2.gz RGJDVIYIWLFIQT-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM C[C@H](CNc1cc(C(F)F)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000656092990 1013992518 /nfs/dbraw/zinc/99/25/18/1013992518.db2.gz RGFHLBJYXUIOMQ-SSDOTTSWSA-N -1 0 314.719 3.958 20 0 DHADRM C[C@H](Nc1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091460 1013992967 /nfs/dbraw/zinc/99/29/67/1013992967.db2.gz DLYYGBBQEPWMFV-GARJFASQSA-N -1 0 304.415 3.844 20 0 DHADRM O=C([O-])CN(Cc1ccc(Oc2ccccc2)o1)C1CCC1 ZINC000656101869 1013995194 /nfs/dbraw/zinc/99/51/94/1013995194.db2.gz WXENEVBKZSRUHW-UHFFFAOYSA-N -1 0 301.342 3.511 20 0 DHADRM O=C(NO[C@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592494 1013997578 /nfs/dbraw/zinc/99/75/78/1013997578.db2.gz CPPNGUXBMTWBSD-NSHDSACASA-N -1 0 318.345 3.581 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000318879108 970484306 /nfs/dbraw/zinc/48/43/06/970484306.db2.gz NXBBULCHMVSXEE-LBPRGKRZSA-N -1 0 323.820 3.611 20 0 DHADRM O=c1cc(C(F)(F)F)nc(C=Cc2scnc2C2CC2)[nH]1 ZINC000656106061 1014002670 /nfs/dbraw/zinc/00/26/70/1014002670.db2.gz KPASVAUNSDAXHD-ONEGZZNKSA-N -1 0 313.304 3.705 20 0 DHADRM Fc1ccc2oc([N-]c3nnc(Br)s3)cc2c1 ZINC001210724962 1014007495 /nfs/dbraw/zinc/00/74/95/1014007495.db2.gz LFCIZAGRHJMMDE-UHFFFAOYSA-N -1 0 314.139 3.930 20 0 DHADRM CC(C)c1cccc(O[C@@H](C)c2nc([C@@H](C)C(=O)[O-])no2)c1 ZINC001609849338 970551914 /nfs/dbraw/zinc/55/19/14/970551914.db2.gz YGPOBRXGIFKPKK-MNOVXSKESA-N -1 0 304.346 3.521 20 0 DHADRM CCC(CC)n1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000320678711 970696647 /nfs/dbraw/zinc/69/66/47/970696647.db2.gz DGLDTRVHBCZGKY-UHFFFAOYSA-N -1 0 315.417 3.574 20 0 DHADRM CSc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)ccc1F ZINC001604962921 972548864 /nfs/dbraw/zinc/54/88/64/972548864.db2.gz KNZMYBHNSAGJDV-UHFFFAOYSA-N -1 0 320.341 3.603 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](c1ccccc1)C(F)F ZINC001605863434 972618667 /nfs/dbraw/zinc/61/86/67/972618667.db2.gz QLULOUFGOYGSMP-CYBMUJFWSA-N -1 0 320.295 3.513 20 0 DHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001603315546 972624997 /nfs/dbraw/zinc/62/49/97/972624997.db2.gz FQKLRBKWBMGZRZ-MRXNPFEDSA-N -1 0 309.365 3.537 20 0 DHADRM Cc1sc(C(=O)[O-])cc1-c1ccccc1OC[C@H]1CCOC1 ZINC000564585879 1014053052 /nfs/dbraw/zinc/05/30/52/1014053052.db2.gz NLMLAMQPMMVXCQ-LBPRGKRZSA-N -1 0 318.394 3.837 20 0 DHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC001605081601 972717209 /nfs/dbraw/zinc/71/72/09/972717209.db2.gz BBAHFNQXQACLHL-UHFFFAOYSA-N -1 0 319.401 3.504 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc(C)c1F ZINC001605207035 972947336 /nfs/dbraw/zinc/94/73/36/972947336.db2.gz DKHNAQBBZYXJBI-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM Cc1cc(OC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc(C)c1Cl ZINC001605216536 972960227 /nfs/dbraw/zinc/96/02/27/972960227.db2.gz CCVZORUGQVMOCN-MRXNPFEDSA-N -1 0 308.761 3.673 20 0 DHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)C1 ZINC001603398455 973042930 /nfs/dbraw/zinc/04/29/30/973042930.db2.gz WRMABXCADIRHQQ-CHWSQXEVSA-N -1 0 316.401 3.675 20 0 DHADRM Cc1ccc(CCCCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001605271020 973054350 /nfs/dbraw/zinc/05/43/50/973054350.db2.gz YOVZSANODRDWSX-UHFFFAOYSA-N -1 0 317.429 3.612 20 0 DHADRM Cc1ccc2cc(CN3Cc4ccccc4[C@@H](C(=O)[O-])C3)[nH]c2c1 ZINC001605314373 973137279 /nfs/dbraw/zinc/13/72/79/973137279.db2.gz FSKWZVBONRJGOX-SFHVURJKSA-N -1 0 320.392 3.660 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC000398470253 973147500 /nfs/dbraw/zinc/14/75/00/973147500.db2.gz PBDVJJDJCCMUOL-SNVBAGLBSA-N -1 0 314.316 3.680 20 0 DHADRM Nc1ccc(N(c2cc(Cl)c([O-])c(Cl)c2)C2CC2)nc1 ZINC001210928010 1014090187 /nfs/dbraw/zinc/09/01/87/1014090187.db2.gz 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CC[C@H](CC1CCCC1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603549488 973612147 /nfs/dbraw/zinc/61/21/47/973612147.db2.gz RZXMVDDUVNZWOJ-GFCCVEGCSA-N -1 0 305.374 3.635 20 0 DHADRM CC[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(C)cc1 ZINC001603582797 973744138 /nfs/dbraw/zinc/74/41/38/973744138.db2.gz QIBVFGKVJMJXNN-HNNXBMFYSA-N -1 0 320.433 3.636 20 0 DHADRM CC(C)(C(=O)[O-])C1CCN(c2nc3ccccc3s2)CC1 ZINC000580451864 1014138647 /nfs/dbraw/zinc/13/86/47/1014138647.db2.gz LHKPECMFADMSNM-UHFFFAOYSA-N -1 0 304.415 3.624 20 0 DHADRM CC[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC001603592724 973792934 /nfs/dbraw/zinc/79/29/34/973792934.db2.gz MPSQMTFFIYRYNH-HNNXBMFYSA-N -1 0 316.426 3.706 20 0 DHADRM CC[C@H](SCc1ccc(SC(=O)N(C)C)cc1)C(=O)[O-] ZINC001603593812 973810791 /nfs/dbraw/zinc/81/07/91/973810791.db2.gz PLZRUWYTCBLXBA-LBPRGKRZSA-N -1 0 313.444 3.557 20 0 DHADRM CC[C@@H](SCCCC(=O)Nc1c(C)cccc1C)C(=O)[O-] ZINC001603594121 973816787 /nfs/dbraw/zinc/81/67/87/973816787.db2.gz XUOILWNCBMJSHK-CYBMUJFWSA-N -1 0 309.431 3.619 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC001606394834 973844764 /nfs/dbraw/zinc/84/47/64/973844764.db2.gz YKONKQIVBOIAAF-BDAKNGLRSA-N -1 0 323.805 3.524 20 0 DHADRM O=C([O-])CCc1cccc(NCc2scnc2C2CC2)c1 ZINC000414649121 973947048 /nfs/dbraw/zinc/94/70/48/973947048.db2.gz DNVFVPGJTKQVMS-UHFFFAOYSA-N -1 0 302.399 3.650 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001603633109 973957808 /nfs/dbraw/zinc/95/78/08/973957808.db2.gz WDRHUPNFWDDRED-BBRMVZONSA-N -1 0 303.402 3.734 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001603636074 973973105 /nfs/dbraw/zinc/97/31/05/973973105.db2.gz NQNNPOAKJFVAIK-KRWDZBQOSA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001603636322 973975903 /nfs/dbraw/zinc/97/59/03/973975903.db2.gz UJUNOAZGYDFZMK-CHWSQXEVSA-N -1 0 319.405 3.508 20 0 DHADRM CCCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC001603639838 973977929 /nfs/dbraw/zinc/97/79/29/973977929.db2.gz CTNOWWZWJSKRCV-HUUCEWRRSA-N -1 0 309.381 3.530 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001603641245 973988943 /nfs/dbraw/zinc/98/89/43/973988943.db2.gz XBVRTQPGYIYRDP-ZDUSSCGKSA-N -1 0 307.390 3.617 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603641956 973996165 /nfs/dbraw/zinc/99/61/65/973996165.db2.gz UZKGRPMCZSBBHL-GDBMZVCRSA-N -1 0 318.417 3.543 20 0 DHADRM CCCCc1ccc([C@H](NC(=O)NCCC(=O)[O-])C(C)C)cc1 ZINC001603653414 974020254 /nfs/dbraw/zinc/02/02/54/974020254.db2.gz TUAWRUHNVUEGHS-QGZVFWFLSA-N -1 0 320.433 3.500 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1csc2ccccc12 ZINC001606523358 974028966 /nfs/dbraw/zinc/02/89/66/974028966.db2.gz MONMCLMOSMCHTJ-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM O=C(/C=C\Sc1ccccc1)NC1(C(=O)[O-])CCCCCC1 ZINC001605660066 974057298 /nfs/dbraw/zinc/05/72/98/974057298.db2.gz SFMKAAGUNAXQEN-RAXLEYEMSA-N -1 0 319.426 3.586 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2cccc(C(F)F)c2)o1 ZINC001605668056 974068275 /nfs/dbraw/zinc/06/82/75/974068275.db2.gz MKOCMUXMCQFFEX-FNORWQNLSA-N -1 0 307.252 3.567 20 0 DHADRM CCCOc1ccc(OC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001603680208 974070402 /nfs/dbraw/zinc/07/04/02/974070402.db2.gz ASLGVNOAJCZAQC-UHFFFAOYSA-N -1 0 314.337 3.701 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC000478829527 974208511 /nfs/dbraw/zinc/20/85/11/974208511.db2.gz ADQCMCSQZGHMSO-LLVKDONJSA-N -1 0 313.328 3.678 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000478823630 974208573 /nfs/dbraw/zinc/20/85/73/974208573.db2.gz HFPLWLUGWLILKA-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000478857477 974212835 /nfs/dbraw/zinc/21/28/35/974212835.db2.gz ODVZXCOXCXCHKR-UHFFFAOYSA-N -1 0 321.392 3.812 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC000478869993 974214388 /nfs/dbraw/zinc/21/43/88/974214388.db2.gz WSFOCDWZBYRTBD-MBNYWOFBSA-N -1 0 319.376 3.613 20 0 DHADRM 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O=C([O-])Cc1cccc(C(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC000659166583 975766203 /nfs/dbraw/zinc/76/62/03/975766203.db2.gz HDVLQFNDNUONGD-INIZCTEOSA-N -1 0 315.413 3.547 20 0 DHADRM CC(C)c1ccc2c(c1)CN(C(=O)CC(C)(C)CC(=O)[O-])CC2 ZINC000659171061 975770151 /nfs/dbraw/zinc/77/01/51/975770151.db2.gz YYNBJBUOXLRJDR-UHFFFAOYSA-N -1 0 317.429 3.586 20 0 DHADRM CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000659178760 975774268 /nfs/dbraw/zinc/77/42/68/975774268.db2.gz FYBCEJUVNDVZPE-IOASZLSFSA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659194126 975794136 /nfs/dbraw/zinc/79/41/36/975794136.db2.gz RUKIKVRCDBXUES-ZVDSWSACSA-N -1 0 321.461 3.551 20 0 DHADRM C[C@@H]1N(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc2C1(C)C ZINC000659209878 975820177 /nfs/dbraw/zinc/82/01/77/975820177.db2.gz PHBJAUJQTQWWDS-JTQLQIEISA-N -1 0 315.394 3.773 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1 ZINC000659215070 975826061 /nfs/dbraw/zinc/82/60/61/975826061.db2.gz KSTLUYNVARHGKH-UGSOOPFHSA-N -1 0 323.408 3.623 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC001591760845 975841758 /nfs/dbraw/zinc/84/17/58/975841758.db2.gz BCUNMIALSKYZOM-OCCSQVGLSA-N -1 0 319.401 3.937 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000659232863 975842141 /nfs/dbraw/zinc/84/21/41/975842141.db2.gz PYMRHGOJXQVMGB-BZUAXINKSA-N -1 0 309.450 3.839 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000659233662 975843794 /nfs/dbraw/zinc/84/37/94/975843794.db2.gz NYSGMEYLPBMSCZ-BRWVUGGUSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)c1cccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000663263053 975939574 /nfs/dbraw/zinc/93/95/74/975939574.db2.gz MEHRNCWDAYIQDJ-NSHDSACASA-N -1 0 304.415 3.816 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C2(F)CCCCC2)c(C(=O)[O-])c1 ZINC001591781370 975954019 /nfs/dbraw/zinc/95/40/19/975954019.db2.gz YQHSLLHDSGVDFN-UHFFFAOYSA-N -1 0 323.364 3.783 20 0 DHADRM CC(C)Oc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c(F)c1 ZINC001591788741 975976947 /nfs/dbraw/zinc/97/69/47/975976947.db2.gz UUMAYITYMGZHOH-YWPYICTPSA-N -1 0 309.381 3.914 20 0 DHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000668273501 975980920 /nfs/dbraw/zinc/98/09/20/975980920.db2.gz CFJSJKUBLUPFTN-LKFCYVNXSA-N -1 0 321.398 3.599 20 0 DHADRM CCC(CC)(CNC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(F)cc1 ZINC000668297783 975989911 /nfs/dbraw/zinc/98/99/11/975989911.db2.gz AWMLSWRXNRSHTR-CYBMUJFWSA-N -1 0 323.408 3.501 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C2)cc1 ZINC000668300719 975991230 /nfs/dbraw/zinc/99/12/30/975991230.db2.gz UHWQQTVNDVAUBL-GOEBONIOSA-N -1 0 317.429 3.590 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1F ZINC000181047418 1014299249 /nfs/dbraw/zinc/29/92/49/1014299249.db2.gz VJRWHOADKMOSAD-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM Cc1c(NC(=O)[C@@H](C)Cc2cccc(F)c2)cccc1C(=O)[O-] ZINC000675966059 976020658 /nfs/dbraw/zinc/02/06/58/976020658.db2.gz HIKYDHGNAZEPEA-NSHDSACASA-N -1 0 315.344 3.650 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000678983615 976035037 /nfs/dbraw/zinc/03/50/37/976035037.db2.gz SQNBYEPENRSCJQ-CQSZACIVSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000683331350 976088082 /nfs/dbraw/zinc/08/80/82/976088082.db2.gz YBSRGZGBTWXAED-JTQLQIEISA-N -1 0 315.369 3.720 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000683331352 976088832 /nfs/dbraw/zinc/08/88/32/976088832.db2.gz YBSRGZGBTWXAED-SNVBAGLBSA-N -1 0 315.369 3.720 20 0 DHADRM CC(C)SCOc1cc(Br)cc(C(=O)[O-])c1 ZINC001591828847 976089019 /nfs/dbraw/zinc/08/90/19/976089019.db2.gz ZDRQHWKBFUPPCL-UHFFFAOYSA-N -1 0 305.193 3.625 20 0 DHADRM COCCOc1cccc(-c2ccc(CCCC(=O)[O-])s2)c1 ZINC000568647785 1014317026 /nfs/dbraw/zinc/31/70/26/1014317026.db2.gz WKHPPLRXYSJQHL-UHFFFAOYSA-N -1 0 320.410 3.848 20 0 DHADRM CC(C)c1[nH]c(CN[C@H](c2ccccc2)C(F)F)cc1C(=O)[O-] ZINC001591917077 976373844 /nfs/dbraw/zinc/37/38/44/976373844.db2.gz WFTHGBGUZKCHGN-OAHLLOKOSA-N -1 0 322.355 3.932 20 0 DHADRM CC(C)c1[nH]ccc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001591920810 976389920 /nfs/dbraw/zinc/38/99/20/976389920.db2.gz GIQYDCUWFQYJQE-UHFFFAOYSA-N -1 0 324.739 3.881 20 0 DHADRM CC(C)c1c(N[C@@H]2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC001591923416 976401022 /nfs/dbraw/zinc/40/10/22/976401022.db2.gz OMWKXDICAXRZQQ-UONOGXRCSA-N -1 0 313.401 3.661 20 0 DHADRM CC(C)c1ccc(-c2noc(-c3csc(C(=O)[O-])n3)n2)cc1 ZINC001591936440 976460935 /nfs/dbraw/zinc/46/09/35/976460935.db2.gz YZEPSHLIHATIKQ-UHFFFAOYSA-N -1 0 315.354 3.682 20 0 DHADRM Cc1cccc([C@@H](NCc2cc(Cl)cs2)C(=O)[O-])c1C ZINC000417565059 1014329826 /nfs/dbraw/zinc/32/98/26/1014329826.db2.gz PDUIJTYCUVVGHW-CQSZACIVSA-N -1 0 309.818 3.934 20 0 DHADRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001591947260 976489579 /nfs/dbraw/zinc/48/95/79/976489579.db2.gz JHAMNOBSCVVNOH-AWEZNQCLSA-N -1 0 304.367 3.854 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001591947195 976489657 /nfs/dbraw/zinc/48/96/57/976489657.db2.gz HVRJAJSLYSIOPS-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001591947791 976495324 /nfs/dbraw/zinc/49/53/24/976495324.db2.gz WSFLZLLNTQQLNG-KBRIMQKVSA-N -1 0 317.429 3.673 20 0 DHADRM CC(C)c1ccc(NC(=O)C2Cc3ccccc3C2)c(C(=O)[O-])c1 ZINC001591963123 976552832 /nfs/dbraw/zinc/55/28/32/976552832.db2.gz WEEQYCJHKOMWNI-UHFFFAOYSA-N -1 0 323.392 3.862 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191397140 1014335822 /nfs/dbraw/zinc/33/58/22/1014335822.db2.gz PCKILXXNZWGLHL-ZDUSSCGKSA-N -1 0 323.458 3.812 20 0 DHADRM CC(C)c1cccc(-c2ccc([S@@](=O)CC(=O)[O-])cc2)c1 ZINC001591983940 976605545 /nfs/dbraw/zinc/60/55/45/976605545.db2.gz VHRYFGTZGXQJLF-NRFANRHFSA-N -1 0 302.395 3.669 20 0 DHADRM CC(C)c1cccc2c1N(Cc1cncc(C(=O)[O-])c1)CCC2 ZINC001591994467 976633044 /nfs/dbraw/zinc/63/30/44/976633044.db2.gz KVSUXOSXGDLYNL-UHFFFAOYSA-N -1 0 310.397 3.856 20 0 DHADRM CCc1ccc([C@@H](NCc2cc(Cl)cs2)C(=O)[O-])cc1 ZINC000417579097 1014341836 /nfs/dbraw/zinc/34/18/36/1014341836.db2.gz BRPQOBQDGNQBFQ-CQSZACIVSA-N -1 0 309.818 3.879 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@H]2CCC[C@@H]2C)sc1C(=O)[O-] ZINC001592021897 976717186 /nfs/dbraw/zinc/71/71/86/976717186.db2.gz IMCRIRUZMJCSBN-VHSXEESVSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1sc(NC(=O)CC2(C)CCCC2)nc1C(=O)[O-] ZINC001592111717 976902326 /nfs/dbraw/zinc/90/23/26/976902326.db2.gz LPIZPQHACAFGMC-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM C[C@H](C1CC1)n1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001592180425 977093543 /nfs/dbraw/zinc/09/35/43/977093543.db2.gz BIZFNYDOVHWSMU-SNVBAGLBSA-N -1 0 319.792 3.818 20 0 DHADRM C[C@@H](CC(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001592251506 977478805 /nfs/dbraw/zinc/47/88/05/977478805.db2.gz CZUXXHZAJZLTNE-AWEZNQCLSA-N -1 0 317.429 3.536 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)CC(C)(C)C ZINC001592262470 977508570 /nfs/dbraw/zinc/50/85/70/977508570.db2.gz VDZRLTKFCRHJOO-VIFPVBQESA-N -1 0 312.797 3.834 20 0 DHADRM C[C@H](CC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001592273963 977545332 /nfs/dbraw/zinc/54/53/32/977545332.db2.gz HWMOPHXIGFBYDB-SECBINFHSA-N -1 0 303.383 3.974 20 0 DHADRM CCCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H](CC)C(=O)[O-] ZINC000580870646 1014412918 /nfs/dbraw/zinc/41/29/18/1014412918.db2.gz UTABUPHSEYFJKT-GFCCVEGCSA-N -1 0 316.760 3.586 20 0 DHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C2=CCCC2)cc1)C1CC1 ZINC001592304431 977665158 /nfs/dbraw/zinc/66/51/58/977665158.db2.gz NGXRMEGOVCXNKD-IBGZPJMESA-N -1 0 313.397 3.627 20 0 DHADRM C[C@H](CC(=O)[O-])Cc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC001592405642 977975829 /nfs/dbraw/zinc/97/58/29/977975829.db2.gz BDNKSVVPLJNXON-ZJUUUORDSA-N -1 0 320.414 3.576 20 0 DHADRM C[C@@H](CC(=O)[O-])SC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001592422593 978036879 /nfs/dbraw/zinc/03/68/79/978036879.db2.gz SLUNXAGCDDJLCZ-CPCISQLKSA-N -1 0 309.214 3.623 20 0 DHADRM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592445302 978111867 /nfs/dbraw/zinc/11/18/67/978111867.db2.gz ZTEAZXTYSOZMDK-QWHCGFSZSA-N -1 0 320.433 3.896 20 0 DHADRM O=c1nc(Cc2c[nH]c3ccc(Cl)cc23)[n-]c2ccsc21 ZINC000156703645 1014465824 /nfs/dbraw/zinc/46/58/24/1014465824.db2.gz PVDQMDNGYVFXOP-UHFFFAOYSA-N -1 0 315.785 3.710 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001592465952 978210269 /nfs/dbraw/zinc/21/02/69/978210269.db2.gz PYRBREZCYFDFPA-LBPRGKRZSA-N -1 0 319.401 3.573 20 0 DHADRM C[C@@H](CCC(=O)O[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001592470432 978221861 /nfs/dbraw/zinc/22/18/61/978221861.db2.gz KSTVTZAGYREZDR-RYUDHWBXSA-N -1 0 317.341 3.561 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1c(Cl)cccc1Cl ZINC000724849304 978245414 /nfs/dbraw/zinc/24/54/14/978245414.db2.gz TVFNTYVNLPQHDP-UHFFFAOYSA-N -1 0 314.168 3.917 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001592477968 978248639 /nfs/dbraw/zinc/24/86/39/978248639.db2.gz PTFUMXCNNGRTON-OAHLLOKOSA-N -1 0 319.445 3.605 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001592477983 978249039 /nfs/dbraw/zinc/24/90/39/978249039.db2.gz QBQIQLXHYNNCIJ-CYBMUJFWSA-N -1 0 317.429 3.732 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)c1ccsc1C(=O)[O-] ZINC001592478838 978254540 /nfs/dbraw/zinc/25/45/40/978254540.db2.gz YZVWWPNGRXYPIM-LLVKDONJSA-N -1 0 309.431 3.925 20 0 DHADRM C/C(=C\C(=O)N(CCC(=O)[O-])CC(C)C)c1ccccc1Cl ZINC000736116571 978303359 /nfs/dbraw/zinc/30/33/59/978303359.db2.gz CAMOZHOEMDXRTN-JLHYYAGUSA-N -1 0 323.820 3.703 20 0 DHADRM CC(=O)c1csc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC000736196893 978309071 /nfs/dbraw/zinc/30/90/71/978309071.db2.gz QRWCIQVUOLQHIG-JTQLQIEISA-N -1 0 318.350 3.567 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000736767794 978354895 /nfs/dbraw/zinc/35/48/95/978354895.db2.gz DXUQJTLEDRBYIQ-SUNKGSAMSA-N -1 0 305.378 3.723 20 0 DHADRM C[C@H](CCNC(=O)c1ccsc1CC(=O)[O-])CC(C)(C)C ZINC001592519345 978362811 /nfs/dbraw/zinc/36/28/11/978362811.db2.gz FDLSOMXKSUOMCZ-LLVKDONJSA-N -1 0 311.447 3.567 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736986425 978371572 /nfs/dbraw/zinc/37/15/72/978371572.db2.gz WQVQNYUQKGOTMJ-GOEBONIOSA-N -1 0 318.417 3.794 20 0 DHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001592539673 978419960 /nfs/dbraw/zinc/41/99/60/978419960.db2.gz LQMSIWYTUHRRLF-JTQLQIEISA-N -1 0 321.373 3.793 20 0 DHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592540323 978423518 /nfs/dbraw/zinc/42/35/18/978423518.db2.gz RKOIFZJGIGSKGA-GFCCVEGCSA-N -1 0 316.328 3.698 20 0 DHADRM C[C@H](CCc1ccco1)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592552361 978439117 /nfs/dbraw/zinc/43/91/17/978439117.db2.gz WTYRLCUOFSAPGB-UONOGXRCSA-N -1 0 301.386 3.976 20 0 DHADRM C[C@H](CN(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC001592569660 978464631 /nfs/dbraw/zinc/46/46/31/978464631.db2.gz LPKVHFPFGBVECC-KBMXLJTQSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C)C(=O)[O-] ZINC001592602735 978541909 /nfs/dbraw/zinc/54/19/09/978541909.db2.gz YEMZHVHQLRYYGF-ZBFHGGJFSA-N -1 0 317.429 3.562 20 0 DHADRM Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000738638300 978579014 /nfs/dbraw/zinc/57/90/14/978579014.db2.gz FVNYECJSTCDSJW-UHFFFAOYSA-N -1 0 318.756 3.885 20 0 DHADRM COCc1cc(NC(=O)C[C@@H](C)C(C)(C)C)cc(C(=O)[O-])c1 ZINC000427662733 1014507600 /nfs/dbraw/zinc/50/76/00/1014507600.db2.gz LOJVQGPMSZHRGP-LLVKDONJSA-N -1 0 307.390 3.542 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccsc1 ZINC000580997124 1014507861 /nfs/dbraw/zinc/50/78/61/1014507861.db2.gz YMGLSLNJIRSHAI-AWEZNQCLSA-N -1 0 318.398 3.818 20 0 DHADRM Cc1cc(C)c(/C=C\C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000746361484 978684053 /nfs/dbraw/zinc/68/40/53/978684053.db2.gz GSSOOUVZAGXYSK-TWGQIWQCSA-N -1 0 323.392 3.891 20 0 DHADRM O=C([O-])CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000753977025 978695845 /nfs/dbraw/zinc/69/58/45/978695845.db2.gz RFRLMTUVMCACIU-MRXNPFEDSA-N -1 0 309.793 3.552 20 0 DHADRM CCC(CC)(CNC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)[O-] ZINC000761921301 978716544 /nfs/dbraw/zinc/71/65/44/978716544.db2.gz DSKSSSAEURDJCE-FMIVXFBMSA-N -1 0 323.820 3.751 20 0 DHADRM CCCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000766840289 978726120 /nfs/dbraw/zinc/72/61/20/978726120.db2.gz HJHUKZWIEBYGAU-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000767089819 978734205 /nfs/dbraw/zinc/73/42/05/978734205.db2.gz QRHBSJAVMHXVMI-NTMALXAHSA-N -1 0 317.291 3.705 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776646265 978765770 /nfs/dbraw/zinc/76/57/70/978765770.db2.gz IMBKQZXIMKONNP-NWDGAFQWSA-N -1 0 319.357 3.636 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CC12CCCC2)c1cccc(Cl)c1 ZINC000776674008 978768683 /nfs/dbraw/zinc/76/86/83/978768683.db2.gz XUMMSAHAYWEZRT-KGLIPLIRSA-N -1 0 321.804 3.552 20 0 DHADRM CCCCCC[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777361951 978776370 /nfs/dbraw/zinc/77/63/70/978776370.db2.gz XKYSCSDURCJYPS-AWEZNQCLSA-N -1 0 305.418 3.793 20 0 DHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816348 978859958 /nfs/dbraw/zinc/85/99/58/978859958.db2.gz UMBCLCAWTHWJHU-HZMBPMFUSA-N -1 0 309.793 3.689 20 0 DHADRM Cc1c(F)cccc1NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000832854955 979050814 /nfs/dbraw/zinc/05/08/14/979050814.db2.gz YZDDFBZMBJSPAK-GFCCVEGCSA-N -1 0 322.361 3.533 20 0 DHADRM CC[C@H](CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-])C(C)C ZINC001595029380 979156435 /nfs/dbraw/zinc/15/64/35/979156435.db2.gz AAGMCYRRPIHJTJ-ZBFHGGJFSA-N -1 0 305.418 3.955 20 0 DHADRM CC[C@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001595029392 979156536 /nfs/dbraw/zinc/15/65/36/979156536.db2.gz ADMYSSJBVUWZFV-OAHLLOKOSA-N -1 0 317.429 3.816 20 0 DHADRM CC[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001595030529 979168204 /nfs/dbraw/zinc/16/82/04/979168204.db2.gz QYYDTJGYKYBJMG-HNNXBMFYSA-N -1 0 317.429 3.735 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595035229 979182022 /nfs/dbraw/zinc/18/20/22/979182022.db2.gz ARCKXGNQQTUTBN-SNVBAGLBSA-N -1 0 312.435 3.976 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595035319 979183293 /nfs/dbraw/zinc/18/32/93/979183293.db2.gz CJMLUHSMUJZXEX-ZBFHGGJFSA-N -1 0 305.418 3.618 20 0 DHADRM CC[C@@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001595036606 979198060 /nfs/dbraw/zinc/19/80/60/979198060.db2.gz HFVPXPZPDKNGRC-JEYLPNPQSA-N -1 0 304.386 3.757 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001595036815 979200062 /nfs/dbraw/zinc/20/00/62/979200062.db2.gz ZCNPCNQXXXSYQN-FXUDXRNXSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@H](CC(=O)Oc1c(OC)cccc1C(=O)[O-])C(C)(C)C ZINC001595037023 979201987 /nfs/dbraw/zinc/20/19/87/979201987.db2.gz NYQOWJLJTGZGDC-LLVKDONJSA-N -1 0 308.374 3.761 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595039035 979211837 /nfs/dbraw/zinc/21/18/37/979211837.db2.gz MVSKECSDTNMAHY-ZETCQYMHSA-N -1 0 323.698 3.955 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595039114 979212567 /nfs/dbraw/zinc/21/25/67/979212567.db2.gz NOVYPDVZEULAJQ-RKDXNWHRSA-N -1 0 322.279 3.869 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001595039278 979213447 /nfs/dbraw/zinc/21/34/47/979213447.db2.gz PZKCEWGRNPHETB-YUMQZZPRSA-N -1 0 308.252 3.561 20 0 DHADRM CC(C)(C)c1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)on1 ZINC000255267544 1014558715 /nfs/dbraw/zinc/55/87/15/1014558715.db2.gz ZWGMUTFXCBFDFZ-HJWRWDBZSA-N -1 0 324.377 3.524 20 0 DHADRM CC[C@H](CC(F)F)C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001595042323 979233322 /nfs/dbraw/zinc/23/33/22/979233322.db2.gz KBGQDSKRCZWUJM-PELKAZGASA-N -1 0 320.719 3.690 20 0 DHADRM Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)c(Cl)c1C ZINC000833747914 979235857 /nfs/dbraw/zinc/23/58/57/979235857.db2.gz NYTDJRYOPBQUND-UHFFFAOYSA-N -1 0 308.717 3.605 20 0 DHADRM C[C@H](CNc1ccc2cnn(CC(=O)[O-])c2c1)C1CCCCC1 ZINC001592728344 979236131 /nfs/dbraw/zinc/23/61/31/979236131.db2.gz ADRYRQBGABQGSE-CYBMUJFWSA-N -1 0 315.417 3.749 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595042688 979237989 /nfs/dbraw/zinc/23/79/89/979237989.db2.gz RIPFZZVLBIUKAL-QMMMGPOBSA-N -1 0 305.346 3.683 20 0 DHADRM CC[C@H](CC(F)F)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001595042780 979239085 /nfs/dbraw/zinc/23/90/85/979239085.db2.gz UJWJSWCHTNSMSB-MRVPVSSYSA-N -1 0 320.719 3.763 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc([C@H](C)OC)c1 ZINC001595049814 979276179 /nfs/dbraw/zinc/27/61/79/979276179.db2.gz GGWQQPYKOSNHRK-LBPRGKRZSA-N -1 0 322.405 3.549 20 0 DHADRM CCC(CC)(CCOC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595059616 979308216 /nfs/dbraw/zinc/30/82/16/979308216.db2.gz HTGJBTFSCDLLMZ-WDEREUQCSA-N -1 0 324.339 3.789 20 0 DHADRM CCCCCCOCc1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000844246230 979390815 /nfs/dbraw/zinc/39/08/15/979390815.db2.gz PTTYDXXWECRRKN-UHFFFAOYSA-N -1 0 319.401 3.587 20 0 DHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCCC(=O)[O-] ZINC000844254128 979395807 /nfs/dbraw/zinc/39/58/07/979395807.db2.gz OSVAQLRXLIYIGV-AWEZNQCLSA-N -1 0 303.402 3.631 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/C1CCCCCC1 ZINC000846114907 979404720 /nfs/dbraw/zinc/40/47/20/979404720.db2.gz QLXHFNHPQYSAGQ-VAWYXSNFSA-N -1 0 301.386 3.779 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\C1CCCC1 ZINC000846115664 979405928 /nfs/dbraw/zinc/40/59/28/979405928.db2.gz NHTANMPRXBAOSE-YFHOEESVSA-N -1 0 317.385 3.857 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595105232 979420585 /nfs/dbraw/zinc/42/05/85/979420585.db2.gz GFNNXQWAZMGNAV-ACJLOTCBSA-N -1 0 305.418 3.565 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595105604 979424383 /nfs/dbraw/zinc/42/43/83/979424383.db2.gz CGNHDYPDSSWMPC-VIFPVBQESA-N -1 0 312.435 3.516 20 0 DHADRM CCC(CC)CC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595109451 979441676 /nfs/dbraw/zinc/44/16/76/979441676.db2.gz AXOIFRMHWFOFIC-BFUOFWGJSA-N -1 0 317.429 3.806 20 0 DHADRM CCC(CC)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001595109863 979448191 /nfs/dbraw/zinc/44/81/91/979448191.db2.gz PDEBZGRBBGKNDY-UHFFFAOYSA-N -1 0 301.745 3.942 20 0 DHADRM CCC(CC)N(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C)c1 ZINC001595115434 979468980 /nfs/dbraw/zinc/46/89/80/979468980.db2.gz DNZIGQOAYZUOPX-OKILXGFUSA-N -1 0 303.402 3.627 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595125793 979511107 /nfs/dbraw/zinc/51/11/07/979511107.db2.gz JPPBLKOSCJJRAT-LLVKDONJSA-N -1 0 324.808 3.978 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001595126160 979515260 /nfs/dbraw/zinc/51/52/60/979515260.db2.gz RGNNIRBZEILLLN-UKRRQHHQSA-N -1 0 323.458 3.987 20 0 DHADRM CC[C@H](CN(CC)C(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001595129721 979537778 /nfs/dbraw/zinc/53/77/78/979537778.db2.gz PJRMQNXZMQDSHI-OAHLLOKOSA-N -1 0 319.445 3.920 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851625250 979561322 /nfs/dbraw/zinc/56/13/22/979561322.db2.gz VHRZOKXVYIAMJB-GAJOTYCWSA-N -1 0 319.401 3.952 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000856969891 979616305 /nfs/dbraw/zinc/61/63/05/979616305.db2.gz WXKHUHWIVAHKRK-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CC(C)[C@H]1C[C@@H](Nc2ccc(C(C)(C)C(=O)[O-])cc2)CS1 ZINC000859811068 979641363 /nfs/dbraw/zinc/64/13/63/979641363.db2.gz YNMQAKJLDPLHFW-HUUCEWRRSA-N -1 0 307.459 3.991 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)cc1)C(=O)[O-] ZINC001592858121 979668667 /nfs/dbraw/zinc/66/86/67/979668667.db2.gz OMIPURHUROBMRT-DOMZBBRYSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592860386 979690589 /nfs/dbraw/zinc/69/05/89/979690589.db2.gz ISJIAIZFZIKPRZ-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM Cc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000864105856 979693045 /nfs/dbraw/zinc/69/30/45/979693045.db2.gz BOHUMZMZMXMORC-GFCCVEGCSA-N -1 0 313.353 3.652 20 0 DHADRM C[C@@H](Cc1ccc(NCc2cnc3ccccc3n2)cc1)C(=O)[O-] ZINC001592877783 979746444 /nfs/dbraw/zinc/74/64/44/979746444.db2.gz QGTAVINIHWXRGS-ZDUSSCGKSA-N -1 0 321.380 3.505 20 0 DHADRM CC[C@@H](CNc1nc(C)nc2scc(CC(C)C)c21)C(=O)[O-] ZINC001595175647 979761060 /nfs/dbraw/zinc/76/10/60/979761060.db2.gz BWOQJFDIORAWIM-NSHDSACASA-N -1 0 321.446 3.721 20 0 DHADRM CC[C@](CNc1nc2cccc(C)c2o1)(C(=O)[O-])c1ccccc1 ZINC001595176515 979767635 /nfs/dbraw/zinc/76/76/35/979767635.db2.gz SVGUOXAJWNFWJB-LJQANCHMSA-N -1 0 324.380 3.981 20 0 DHADRM C[C@@H](Cc1ccno1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592902984 979831100 /nfs/dbraw/zinc/83/11/00/979831100.db2.gz SRACGLZMVAPRRI-VIFPVBQESA-N -1 0 302.355 3.631 20 0 DHADRM C/C(=C/C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C(C)(C)C ZINC000864188691 979837244 /nfs/dbraw/zinc/83/72/44/979837244.db2.gz HSDGFYHYDMICEV-UBGRJXSISA-N -1 0 301.386 3.806 20 0 DHADRM CSC(C)(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224526 979908866 /nfs/dbraw/zinc/90/88/66/979908866.db2.gz DJFFNQQEVYAECO-UHFFFAOYSA-N -1 0 303.383 3.618 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2C)c1 ZINC000864229665 979925283 /nfs/dbraw/zinc/92/52/83/979925283.db2.gz WPDPAFBIBYQMQK-KRWDZBQOSA-N -1 0 311.381 3.558 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C2CCC3(CC3)CC2)c1 ZINC000864232150 979931086 /nfs/dbraw/zinc/93/10/86/979931086.db2.gz MFJOKVJXDGHDKC-INIZCTEOSA-N -1 0 315.413 3.597 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595211145 979989052 /nfs/dbraw/zinc/98/90/52/979989052.db2.gz QGAQEYHCGWOXJB-CYBMUJFWSA-N -1 0 317.410 3.962 20 0 DHADRM CC(F)(F)CCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592938760 980002194 /nfs/dbraw/zinc/00/21/94/980002194.db2.gz DSJZYMJKISSOAH-ZDUSSCGKSA-N -1 0 312.312 3.741 20 0 DHADRM C[C@H]1CCC[C@H](CC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000520967133 1014622326 /nfs/dbraw/zinc/62/23/26/1014622326.db2.gz GSRWYIFEDLKJOP-QWRGUYRKSA-N -1 0 321.471 3.843 20 0 DHADRM CC[C@H](Cc1ccccc1C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595218704 980034878 /nfs/dbraw/zinc/03/48/78/980034878.db2.gz KRGOLCKVBARUJZ-OAHLLOKOSA-N -1 0 319.445 3.571 20 0 DHADRM COc1ccc(C(=O)[O-])c2c1CN([C@@H]1C=CCCCCC1)CC2 ZINC000872166295 980062298 /nfs/dbraw/zinc/06/22/98/980062298.db2.gz HDDVAGHYHSGRTA-CQSZACIVSA-N -1 0 315.413 3.640 20 0 DHADRM CC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC001595237680 980148882 /nfs/dbraw/zinc/14/88/82/980148882.db2.gz PVNXCWMLNDUKEW-ROJDOSBLSA-N -1 0 313.353 3.567 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CC(C)(C)CC(F)F)cc1 ZINC000887325336 980215948 /nfs/dbraw/zinc/21/59/48/980215948.db2.gz MMDPUDLZBJNDHT-JTQLQIEISA-N -1 0 313.344 3.885 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC001595258404 980254737 /nfs/dbraw/zinc/25/47/37/980254737.db2.gz OBVMYGVVAVEZTN-LBPRGKRZSA-N -1 0 318.398 3.910 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595258523 980256113 /nfs/dbraw/zinc/25/61/13/980256113.db2.gz RPNCHNZPBNUYHF-MRXNPFEDSA-N -1 0 312.369 3.966 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1cc(C)ccc1C ZINC001595262946 980265493 /nfs/dbraw/zinc/26/54/93/980265493.db2.gz AHCWFJDUELZAJN-OAHLLOKOSA-N -1 0 315.369 3.784 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001595266311 980280849 /nfs/dbraw/zinc/28/08/49/980280849.db2.gz XQQGQQQYTOTTOL-SSDOTTSWSA-N -1 0 313.762 3.574 20 0 DHADRM CC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1csc(C)c1 ZINC001595269011 980282269 /nfs/dbraw/zinc/28/22/69/980282269.db2.gz DUZFQYXCTJSNCA-VGVVRCBHSA-N -1 0 319.382 3.628 20 0 DHADRM CC[C@@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC001595276981 980303410 /nfs/dbraw/zinc/30/34/10/980303410.db2.gz NOCJXOUWCGWFRD-GFCCVEGCSA-N -1 0 321.760 3.821 20 0 DHADRM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000901514440 980331061 /nfs/dbraw/zinc/33/10/61/980331061.db2.gz GVDLLELCBYRHJA-INIZCTEOSA-N -1 0 323.751 3.599 20 0 DHADRM CC(C)Oc1ccccc1CNCc1ccc(C(=O)[O-])cc1F ZINC000901754458 980484758 /nfs/dbraw/zinc/48/47/58/980484758.db2.gz FMSCJLOJWQJJOQ-UHFFFAOYSA-N -1 0 317.360 3.601 20 0 DHADRM C[C@@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)[C@@H]1CC1(F)F ZINC000901774376 980504350 /nfs/dbraw/zinc/50/43/50/980504350.db2.gz HZMSEVKCJJTEOO-RISCZKNCSA-N -1 0 324.371 3.831 20 0 DHADRM COc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)c(OC)c1 ZINC000901813270 980534295 /nfs/dbraw/zinc/53/42/95/980534295.db2.gz DBLDXEVAVOQCHB-LBPRGKRZSA-N -1 0 315.369 3.504 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000901816080 980536729 /nfs/dbraw/zinc/53/67/29/980536729.db2.gz SRGMEZURPIDMQG-SJWGOKEGSA-N -1 0 315.413 3.634 20 0 DHADRM CC[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595337473 980600002 /nfs/dbraw/zinc/60/00/02/980600002.db2.gz OZDYMAXPUCHHPB-QGZVFWFLSA-N -1 0 312.365 3.615 20 0 DHADRM Cc1ccc(CCCNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC000901943951 980643470 /nfs/dbraw/zinc/64/34/70/980643470.db2.gz HFZXCAQGPMGCBM-ZWKOTPCHSA-N -1 0 310.397 3.623 20 0 DHADRM CC(C)(C)[C@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000901944370 980643713 /nfs/dbraw/zinc/64/37/13/980643713.db2.gz JGNZUFKGGORLMM-MWDXBVQZSA-N -1 0 317.429 3.880 20 0 DHADRM CC[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595348737 980648889 /nfs/dbraw/zinc/64/88/89/980648889.db2.gz YYLDAZACJORQLG-BZUAXINKSA-N -1 0 304.386 3.880 20 0 DHADRM CC[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001595348764 980648905 /nfs/dbraw/zinc/64/89/05/980648905.db2.gz ZJRDRDMQDAXXAJ-IIAWOOMASA-N -1 0 320.385 3.581 20 0 DHADRM CC(C)Sc1cccc(Cl)c1CN(CC(=O)[O-])C1CC1 ZINC000901970515 980655051 /nfs/dbraw/zinc/65/50/51/980655051.db2.gz MFOUBUUGGZKVNO-UHFFFAOYSA-N -1 0 313.850 3.890 20 0 DHADRM CC[C@@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001595352738 980672446 /nfs/dbraw/zinc/67/24/46/980672446.db2.gz GCCQQJFJNGOMQZ-CYBMUJFWSA-N -1 0 320.366 3.592 20 0 DHADRM CCc1oc(CNc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000902059961 980716722 /nfs/dbraw/zinc/71/67/22/980716722.db2.gz FNPZMENPGPCVLR-UHFFFAOYSA-N -1 0 311.284 3.754 20 0 DHADRM CC[C@H](Sc1nnc(Nc2ccc(C)cc2)s1)C(=O)[O-] ZINC001595359251 980739695 /nfs/dbraw/zinc/73/96/95/980739695.db2.gz UWUMHEXANIPYGD-JTQLQIEISA-N -1 0 309.416 3.545 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)CC(C)C ZINC001595359575 980743278 /nfs/dbraw/zinc/74/32/78/980743278.db2.gz DSZKZEXWHNKNPN-ZBFHGGJFSA-N -1 0 305.418 3.733 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC12CCCC2 ZINC001595361606 980763719 /nfs/dbraw/zinc/76/37/19/980763719.db2.gz KFXPSXDYDCTNFW-JKSUJKDBSA-N -1 0 315.413 3.631 20 0 DHADRM Cc1ccc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902239838 980796422 /nfs/dbraw/zinc/79/64/22/980796422.db2.gz QNDGLEJTSGRUCG-BNOWGMLFSA-N -1 0 318.417 3.501 20 0 DHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])s2)CCC(F)(F)CC1 ZINC001595367995 980821944 /nfs/dbraw/zinc/82/19/44/980821944.db2.gz OXIMKXUPIRDXEO-UHFFFAOYSA-N -1 0 317.357 3.991 20 0 DHADRM CC[C@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1 ZINC001595371052 980847224 /nfs/dbraw/zinc/84/72/24/980847224.db2.gz MZKALBMPUYJKPO-QGZVFWFLSA-N -1 0 304.390 3.656 20 0 DHADRM CCc1oc(CN(C)Cc2cc(C)ccc2F)cc1C(=O)[O-] ZINC000902357151 980850509 /nfs/dbraw/zinc/85/05/09/980850509.db2.gz YAVUXTIRFAUCIG-UHFFFAOYSA-N -1 0 305.349 3.620 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000902424289 980880852 /nfs/dbraw/zinc/88/08/52/980880852.db2.gz UUGQZPSHXSTLDP-JKOKRWQUSA-N -1 0 307.356 3.731 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000902424292 980880866 /nfs/dbraw/zinc/88/08/66/980880866.db2.gz UUGQZPSHXSTLDP-ZKYQVNSYSA-N -1 0 307.356 3.731 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001595374292 980882388 /nfs/dbraw/zinc/88/23/88/980882388.db2.gz BDCGQMULMOASNH-UHFFFAOYSA-N -1 0 320.433 3.762 20 0 DHADRM CCC1(CC)CCC(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC001595374834 980888858 /nfs/dbraw/zinc/88/88/58/980888858.db2.gz XURCVJMEFWPELV-HIFRSBDPSA-N -1 0 324.465 3.678 20 0 DHADRM CC1(C)C[C@H](NCc2ccoc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000902470149 980902246 /nfs/dbraw/zinc/90/22/46/980902246.db2.gz HAZTXRHRFAQCJK-ZDUSSCGKSA-N -1 0 319.332 3.509 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCC1 ZINC001595378693 980914924 /nfs/dbraw/zinc/91/49/24/980914924.db2.gz IFCPTOPMXSNPOS-CYBMUJFWSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1cc(F)ccc1OC ZINC000902573297 980938996 /nfs/dbraw/zinc/93/89/96/980938996.db2.gz XPMRJRXPHXGSOS-AWEZNQCLSA-N -1 0 321.348 3.675 20 0 DHADRM CC[C@@H]1C[C@H](CNc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC001595412643 981010825 /nfs/dbraw/zinc/01/08/25/981010825.db2.gz FEFBDLBWMUQDTB-CZUORRHYSA-N -1 0 305.418 3.666 20 0 DHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595415578 981028896 /nfs/dbraw/zinc/02/88/96/981028896.db2.gz HBHLNRKKQSUICN-MWLCHTKSSA-N -1 0 308.353 3.627 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(-c2cccs2)n1 ZINC000903938420 981057215 /nfs/dbraw/zinc/05/72/15/981057215.db2.gz SKOFFUKWXRAYLG-GHMZBOCLSA-N -1 0 322.455 3.557 20 0 DHADRM CC[C@H]1CCC[C@@H]1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001595434734 981060163 /nfs/dbraw/zinc/06/01/63/981060163.db2.gz BXTCBYXPWGFRNG-IRXDYDNUSA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001595435486 981064835 /nfs/dbraw/zinc/06/48/35/981064835.db2.gz KBTDOOMGALGAGA-KBMXLJTQSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595435449 981065022 /nfs/dbraw/zinc/06/50/22/981065022.db2.gz JVCMWGMYQKRYQP-JSGCOSHPSA-N -1 0 319.401 3.937 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595436707 981070693 /nfs/dbraw/zinc/07/06/93/981070693.db2.gz USDTVYCCUTZCEB-HWPZZCPQSA-N -1 0 322.430 3.874 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595438854 981072839 /nfs/dbraw/zinc/07/28/39/981072839.db2.gz ACPUEPWIMQWKHR-UWVGGRQHSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595438856 981073108 /nfs/dbraw/zinc/07/31/08/981073108.db2.gz ACPUEPWIMQWKHR-ZJUUUORDSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001595439667 981075210 /nfs/dbraw/zinc/07/52/10/981075210.db2.gz FNSJIEAZWYDFTA-IIAWOOMASA-N -1 0 315.413 3.808 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595441303 981079375 /nfs/dbraw/zinc/07/93/75/981079375.db2.gz PPPOSBMODPTRDW-SWLSCSKDSA-N -1 0 322.426 3.985 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595441982 981081508 /nfs/dbraw/zinc/08/15/08/981081508.db2.gz XDLRBDSGLYWYAM-TZMCWYRMSA-N -1 0 304.390 3.723 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001595444547 981088956 /nfs/dbraw/zinc/08/89/56/981088956.db2.gz QYDIIQWFFFHFRZ-DTWKUNHWSA-N -1 0 302.827 3.900 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595445156 981091876 /nfs/dbraw/zinc/09/18/76/981091876.db2.gz WTQOMOKEFZFUKY-LSDHHAIUSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595445313 981092413 /nfs/dbraw/zinc/09/24/13/981092413.db2.gz YIVBEAOIYFWNDC-DOMZBBRYSA-N -1 0 304.390 3.817 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595445395 981092427 /nfs/dbraw/zinc/09/24/27/981092427.db2.gz ZJYUHXIJOBBFNS-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595452300 981113549 /nfs/dbraw/zinc/11/35/49/981113549.db2.gz HNYGEGTYDJSXKS-WDEREUQCSA-N -1 0 324.808 3.986 20 0 DHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595456021 981125311 /nfs/dbraw/zinc/12/53/11/981125311.db2.gz OKAAIHGNMFATKC-GHMZBOCLSA-N -1 0 324.808 3.986 20 0 DHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595457271 981129130 /nfs/dbraw/zinc/12/91/30/981129130.db2.gz UFSXNXXBTHEJJH-QMTHXVAHSA-N -1 0 315.373 3.566 20 0 DHADRM CCC1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001595459380 981137877 /nfs/dbraw/zinc/13/78/77/981137877.db2.gz IFCZRSVSAHZTAR-UHFFFAOYSA-N -1 0 315.373 3.520 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1ccccc1C1CCC1 ZINC000907581554 981196064 /nfs/dbraw/zinc/19/60/64/981196064.db2.gz KQAKFLQMKVJLJO-UHFFFAOYSA-N -1 0 303.402 3.719 20 0 DHADRM COC1(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCCCCC1 ZINC000907680885 981207022 /nfs/dbraw/zinc/20/70/22/981207022.db2.gz BSMPSSMAQZWVFR-CYBMUJFWSA-N -1 0 319.401 3.553 20 0 DHADRM CC(=O)c1csc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000353898513 1014714687 /nfs/dbraw/zinc/71/46/87/1014714687.db2.gz RWPSQXYXEJLHLJ-UHFFFAOYSA-N -1 0 313.737 3.701 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595505170 981282072 /nfs/dbraw/zinc/28/20/72/981282072.db2.gz ZTBAUEOLBOHIGD-SFHVURJKSA-N -1 0 323.392 3.811 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1F ZINC000656487398 1014721453 /nfs/dbraw/zinc/72/14/53/1014721453.db2.gz SZYSMJARZDDXKL-INIZCTEOSA-N -1 0 321.392 3.674 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)c2cc3ccccc3o2)CCC1 ZINC000908351971 981306809 /nfs/dbraw/zinc/30/68/09/981306809.db2.gz KBGAFFKOXSEVSS-UHFFFAOYSA-N -1 0 315.369 3.588 20 0 DHADRM CCCC[C@@H](NC(=O)[C@@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000347261068 1014731686 /nfs/dbraw/zinc/73/16/86/1014731686.db2.gz MYUFLVKXYGIZTR-CABCVRRESA-N -1 0 323.458 3.563 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC=CCCC1)c1cccs1 ZINC000908639353 981330745 /nfs/dbraw/zinc/33/07/45/981330745.db2.gz XEQMZLMPFVNIIT-STQMWFEESA-N -1 0 307.415 3.517 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC=CCCC1)c1cccs1 ZINC000908639351 981330980 /nfs/dbraw/zinc/33/09/80/981330980.db2.gz XEQMZLMPFVNIIT-OLZOCXBDSA-N -1 0 307.415 3.517 20 0 DHADRM O=C([O-])c1nc(C(=O)Nc2ccccc2-c2ccccc2)cs1 ZINC000908697300 981340270 /nfs/dbraw/zinc/34/02/70/981340270.db2.gz VSLSXKYOPSSZQH-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM CCCC(=CC(=O)Nc1ccc(OC)cc1C(=O)[O-])CCC ZINC001595522917 981346231 /nfs/dbraw/zinc/34/62/31/981346231.db2.gz YFDMRLLGXDYIGK-UHFFFAOYSA-N -1 0 305.374 3.859 20 0 DHADRM CCCC(C)(C)CC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595538193 981390832 /nfs/dbraw/zinc/39/08/32/981390832.db2.gz HMDCGHKZNLKTDW-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(Cl)c1 ZINC001595538846 981394831 /nfs/dbraw/zinc/39/48/31/981394831.db2.gz WQISQELXCZZDHF-NSHDSACASA-N -1 0 322.748 3.549 20 0 DHADRM CCC[C@](C)(CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001595542679 981404227 /nfs/dbraw/zinc/40/42/27/981404227.db2.gz XHXZWEMDTRYAMA-BXWFABGCSA-N -1 0 317.429 3.530 20 0 DHADRM CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000048383544 1014732192 /nfs/dbraw/zinc/73/21/92/1014732192.db2.gz MDUZXSBSJRWPLE-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM CCC[C@](C)(NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001595546429 981411116 /nfs/dbraw/zinc/41/11/16/981411116.db2.gz CETBEGQRYPZLNB-KRWDZBQOSA-N -1 0 323.458 3.662 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(C2CCC2)c1 ZINC000909072395 981412809 /nfs/dbraw/zinc/41/28/09/981412809.db2.gz VOZFJHOLZHGPOM-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000909083410 981415422 /nfs/dbraw/zinc/41/54/22/981415422.db2.gz JVTQSWAAXWWPQT-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000909159529 981429035 /nfs/dbraw/zinc/42/90/35/981429035.db2.gz MQJIRPWUQWBNGW-ACJLOTCBSA-N -1 0 319.401 3.613 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001595553460 981429848 /nfs/dbraw/zinc/42/98/48/981429848.db2.gz KPBLZBQDSUPJFV-GOSISDBHSA-N -1 0 305.418 3.747 20 0 DHADRM CC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC=CC1 ZINC000909214558 981433797 /nfs/dbraw/zinc/43/37/97/981433797.db2.gz SKYPDAMBOFLRSN-UHFFFAOYSA-N -1 0 315.394 3.572 20 0 DHADRM CC/C(C)=C\C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909216546 981435022 /nfs/dbraw/zinc/43/50/22/981435022.db2.gz NODXUHDLFFCPML-NTMALXAHSA-N -1 0 303.383 3.572 20 0 DHADRM CCC/C(C)=C\C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595565874 981457712 /nfs/dbraw/zinc/45/77/12/981457712.db2.gz LFLUSQLTMQYRDE-QXMHVHEDSA-N -1 0 301.386 3.719 20 0 DHADRM CCC/C(C)=C/C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595566070 981459063 /nfs/dbraw/zinc/45/90/63/981459063.db2.gz NMVAKGPHHSYHOU-WCRPCQDQSA-N -1 0 303.402 3.797 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(CCC(=O)[O-])cc1)CC(F)F ZINC000909284805 981459113 /nfs/dbraw/zinc/45/91/13/981459113.db2.gz RZOMAEMWXSAPFI-UHFFFAOYSA-N -1 0 313.344 3.714 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595566679 981463117 /nfs/dbraw/zinc/46/31/17/981463117.db2.gz SHGKRZQZLQAUHN-MEKDPEEISA-N -1 0 315.413 3.726 20 0 DHADRM CCCCC[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000909341533 981471319 /nfs/dbraw/zinc/47/13/19/981471319.db2.gz HLMKPAZPBULTQQ-MCIGGMRASA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595571105 981478115 /nfs/dbraw/zinc/47/81/15/981478115.db2.gz MKBBXAKSTCNTLK-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM CCC[C@@H](C)CC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595571104 981478216 /nfs/dbraw/zinc/47/82/16/981478216.db2.gz MKBBXAKSTCNTLK-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM CCC[C@@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001595572000 981482145 /nfs/dbraw/zinc/48/21/45/981482145.db2.gz NBJFNKOFBODPEG-SNVBAGLBSA-N -1 0 303.358 3.527 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000909487862 981507066 /nfs/dbraw/zinc/50/70/66/981507066.db2.gz NBMDEVUMUPXRCX-OAHLLOKOSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909519998 981526184 /nfs/dbraw/zinc/52/61/84/981526184.db2.gz LPGRQBWCHLJCOY-CYBMUJFWSA-N -1 0 314.385 3.585 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595585978 981527759 /nfs/dbraw/zinc/52/77/59/981527759.db2.gz KIMPFYQWNWTBFC-IUODEOHRSA-N -1 0 323.458 3.867 20 0 DHADRM CCCC(CCC)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001595587030 981538089 /nfs/dbraw/zinc/53/80/89/981538089.db2.gz YPSLEDODZSUZSL-OAHLLOKOSA-N -1 0 319.445 3.952 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001595587102 981538902 /nfs/dbraw/zinc/53/89/02/981538902.db2.gz AOSNONSOUHPAIO-HOTGVXAUSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001595587231 981539859 /nfs/dbraw/zinc/53/98/59/981539859.db2.gz GHQQQDUDRSTBSA-IRXDYDNUSA-N -1 0 323.477 3.990 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595587368 981541171 /nfs/dbraw/zinc/54/11/71/981541171.db2.gz KDFKIUNIRWSWFR-CYBMUJFWSA-N -1 0 304.390 3.715 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C1CCCC1 ZINC001595599438 981571741 /nfs/dbraw/zinc/57/17/41/981571741.db2.gz ANAYCAMDYGFKGZ-INIZCTEOSA-N -1 0 318.417 3.794 20 0 DHADRM C/C=C(\CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909694809 981573131 /nfs/dbraw/zinc/57/31/31/981573131.db2.gz NGGCSFIVNHLSIR-DQNSSFAQSA-N -1 0 311.381 3.828 20 0 DHADRM CCC[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001595600757 981582952 /nfs/dbraw/zinc/58/29/52/981582952.db2.gz WRTDHBYXDZWENR-MRXNPFEDSA-N -1 0 315.344 3.795 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC001594740662 981603107 /nfs/dbraw/zinc/60/31/07/981603107.db2.gz QHWQMTKIRIPZDD-MRXNPFEDSA-N -1 0 323.392 3.566 20 0 DHADRM CCC[C@H](O)CCCSCc1ccc(F)cc1C(=O)[O-] ZINC001595608276 981610763 /nfs/dbraw/zinc/61/07/63/981610763.db2.gz JSRFITGPTGJPHX-ZDUSSCGKSA-N -1 0 300.395 3.698 20 0 DHADRM C/C=C(\CC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909785665 981621246 /nfs/dbraw/zinc/62/12/46/981621246.db2.gz COSRSQLXDRVOQC-IXFQTGQWSA-N -1 0 311.381 3.828 20 0 DHADRM CCCC1(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001595615682 981638396 /nfs/dbraw/zinc/63/83/96/981638396.db2.gz RQALCXASQZSSTF-OAHLLOKOSA-N -1 0 315.413 3.501 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)NCC2(CC(=O)[O-])CCCC2)C1 ZINC001595616357 981643505 /nfs/dbraw/zinc/64/35/05/981643505.db2.gz SMBPLNQESMXNKY-KRWDZBQOSA-N -1 0 324.465 3.633 20 0 DHADRM CCCC1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCC1 ZINC001595616445 981644377 /nfs/dbraw/zinc/64/43/77/981644377.db2.gz WDNAUHLFVQNHOP-UHFFFAOYSA-N -1 0 300.358 3.775 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001594758024 981682698 /nfs/dbraw/zinc/68/26/98/981682698.db2.gz VJKZLKCVUFSVDY-CYBMUJFWSA-N -1 0 317.316 3.667 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC001594757895 981682798 /nfs/dbraw/zinc/68/27/98/981682798.db2.gz TXINVEXEWAQSCW-CQSZACIVSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595620450 981689325 /nfs/dbraw/zinc/68/93/25/981689325.db2.gz IKDANNPPLDJEGS-BBRMVZONSA-N -1 0 321.392 3.850 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622458 981710273 /nfs/dbraw/zinc/71/02/73/981710273.db2.gz TYRMIXJCJRCMHF-CZUORRHYSA-N -1 0 319.401 3.686 20 0 DHADRM CCC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C(=O)[O-])o1 ZINC001595623139 981718132 /nfs/dbraw/zinc/71/81/32/981718132.db2.gz DISVOBGCFCCLBC-CYBMUJFWSA-N -1 0 313.353 3.740 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000910043233 981741708 /nfs/dbraw/zinc/74/17/08/981741708.db2.gz QXIBISUKBCRJAS-VIFPVBQESA-N -1 0 315.316 3.607 20 0 DHADRM CCCC[C@@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(C)C ZINC001595627387 981771256 /nfs/dbraw/zinc/77/12/56/981771256.db2.gz BZTDKFTUKIUILZ-FZKCQIBNSA-N -1 0 309.450 3.693 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001594780899 981785902 /nfs/dbraw/zinc/78/59/02/981785902.db2.gz IXSBFILZVVHWEK-CRAIPNDOSA-N -1 0 307.434 3.615 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCC=CCCC1 ZINC001594783376 981794673 /nfs/dbraw/zinc/79/46/73/981794673.db2.gz WSJVKNCMCMBWCX-MAUKXSAKSA-N -1 0 307.434 3.615 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595630350 981818100 /nfs/dbraw/zinc/81/81/00/981818100.db2.gz CNUMSXVGNGEZTH-AWEZNQCLSA-N -1 0 301.745 3.895 20 0 DHADRM CCCC[C@@H](CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595631820 981844701 /nfs/dbraw/zinc/84/47/01/981844701.db2.gz FRTUYIZGUTUNDN-SECBINFHSA-N -1 0 313.781 3.899 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595632151 981850715 /nfs/dbraw/zinc/85/07/15/981850715.db2.gz BAKAWOLXAASPTR-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595632493 981855265 /nfs/dbraw/zinc/85/52/65/981855265.db2.gz ZUAARPUJACJZGQ-GOEBONIOSA-N -1 0 305.418 3.843 20 0 DHADRM CCCC[C@H](CC)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595632553 981856619 /nfs/dbraw/zinc/85/66/19/981856619.db2.gz IXROPYUAZVWSSZ-LBPRGKRZSA-N -1 0 308.374 3.905 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2ccccc2o1 ZINC001594792261 981860999 /nfs/dbraw/zinc/86/09/99/981860999.db2.gz NCGZHSNZZMBANF-GOSISDBHSA-N -1 0 315.369 3.538 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001594796842 981881684 /nfs/dbraw/zinc/88/16/84/981881684.db2.gz NWJFGVJKCUBCHJ-QXGUJMOYSA-N -1 0 321.461 3.695 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001594796841 981881980 /nfs/dbraw/zinc/88/19/80/981881980.db2.gz NWJFGVJKCUBCHJ-LPRCSBTHSA-N -1 0 321.461 3.695 20 0 DHADRM CCCC[C@H](NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001595634498 981889163 /nfs/dbraw/zinc/88/91/63/981889163.db2.gz IWQPCZMZKZUMAG-NFJJZCSJSA-N -1 0 309.450 3.765 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001594800809 981890999 /nfs/dbraw/zinc/89/09/99/981890999.db2.gz KMCUNSMRNTXEBF-GFCCVEGCSA-N -1 0 306.406 3.823 20 0 DHADRM CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000313226803 1014784053 /nfs/dbraw/zinc/78/40/53/1014784053.db2.gz ZSBNXYONCBJGTH-UHFFFAOYSA-N -1 0 311.403 3.657 20 0 DHADRM CCCC[C@H](OC(=O)c1cc2cc(Cl)sc2[nH]1)C(=O)[O-] ZINC001595644930 981983610 /nfs/dbraw/zinc/98/36/10/981983610.db2.gz LBUGOFQPGBDBLW-VIFPVBQESA-N -1 0 315.778 3.683 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000910543368 981988529 /nfs/dbraw/zinc/98/85/29/981988529.db2.gz CCFSGJCIDSRPTC-KUHUBIRLSA-N -1 0 323.392 3.537 20 0 DHADRM CCC(C)(CC)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001594829291 982004617 /nfs/dbraw/zinc/00/46/17/982004617.db2.gz FGRVKLJUABNVBL-UHFFFAOYSA-N -1 0 300.358 3.698 20 0 DHADRM CCCC[C@@H](OC(=O)CCc1cc(Cl)cs1)C(=O)[O-] ZINC001595650634 982010858 /nfs/dbraw/zinc/01/08/58/982010858.db2.gz KKFXUIKTSBCUGV-LLVKDONJSA-N -1 0 304.795 3.521 20 0 DHADRM CCCC[C@@H](OC(=O)c1sc(C(C)(C)C)nc1C)C(=O)[O-] ZINC001595650979 982015401 /nfs/dbraw/zinc/01/54/01/982015401.db2.gz APNAHXRBGNZPQS-SNVBAGLBSA-N -1 0 313.419 3.549 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CC)s1 ZINC000910621235 982027073 /nfs/dbraw/zinc/02/70/73/982027073.db2.gz HSZCZOLWFHPHAE-UHFFFAOYSA-N -1 0 319.382 3.660 20 0 DHADRM CCCCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000910623782 982032328 /nfs/dbraw/zinc/03/23/28/982032328.db2.gz LFHMKGCITMPDLH-OCCSQVGLSA-N -1 0 309.406 3.779 20 0 DHADRM CC[C@@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)C(C)(C)C ZINC000910648515 982040950 /nfs/dbraw/zinc/04/09/50/982040950.db2.gz LBWOCAZKPAEGEK-JTQLQIEISA-N -1 0 312.435 3.561 20 0 DHADRM CC(C)(CC(=O)N[C@H]1CC(C)(C)CCc2ccccc21)C(=O)[O-] ZINC000443028012 1014793385 /nfs/dbraw/zinc/79/33/85/1014793385.db2.gz DEAZZEBTZYZPKO-HNNXBMFYSA-N -1 0 317.429 3.707 20 0 DHADRM CCCCn1ncc(NC(=O)CC(C)(C)CC(=O)[O-])c1C(C)C ZINC000910656690 982044838 /nfs/dbraw/zinc/04/48/38/982044838.db2.gz POIFEQCQKPRTSF-UHFFFAOYSA-N -1 0 323.437 3.636 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001595657222 982060529 /nfs/dbraw/zinc/06/05/29/982060529.db2.gz OJSZYPIPWBDDAR-UHFFFAOYSA-N -1 0 315.373 3.710 20 0 DHADRM CCCC[C@@H](SCc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001595657264 982060622 /nfs/dbraw/zinc/06/06/22/982060622.db2.gz JOQUAWZWRSTLGX-GFCCVEGCSA-N -1 0 318.341 3.885 20 0 DHADRM CCCCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CC1 ZINC001595657256 982061221 /nfs/dbraw/zinc/06/12/21/982061221.db2.gz PVYNFJZJPNEVMN-UHFFFAOYSA-N -1 0 311.765 3.653 20 0 DHADRM CCc1oc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1C ZINC000910696375 982067163 /nfs/dbraw/zinc/06/71/63/982067163.db2.gz HZRMXJVXBRGSKR-UHFFFAOYSA-N -1 0 322.386 3.681 20 0 DHADRM CCCCC1CCC(C(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001595660288 982069326 /nfs/dbraw/zinc/06/93/26/982069326.db2.gz CNYGCXHUFZOAND-UHFFFAOYSA-N -1 0 317.429 3.998 20 0 DHADRM CCCc1occc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910707393 982076881 /nfs/dbraw/zinc/07/68/81/982076881.db2.gz YRZBWXDNBGIALH-UHFFFAOYSA-N -1 0 322.386 3.763 20 0 DHADRM CCCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595662471 982079004 /nfs/dbraw/zinc/07/90/04/982079004.db2.gz FRIMGKITAAQJBQ-IRXDYDNUSA-N -1 0 319.445 3.651 20 0 DHADRM CCCCC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC001595663275 982083186 /nfs/dbraw/zinc/08/31/86/982083186.db2.gz SZPSUXYSCTWZKL-INIZCTEOSA-N -1 0 320.433 3.591 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595666585 982103262 /nfs/dbraw/zinc/10/32/62/982103262.db2.gz NZWPBYOAQOWIML-ZDUSSCGKSA-N -1 0 320.433 3.996 20 0 DHADRM CCCCC[C@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595666949 982108105 /nfs/dbraw/zinc/10/81/05/982108105.db2.gz VSUVQCXDWKPTBB-LBPRGKRZSA-N -1 0 309.381 3.747 20 0 DHADRM CCCCC[C@H](CC)C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595668562 982110166 /nfs/dbraw/zinc/11/01/66/982110166.db2.gz BDOKRYYWIPJEFG-NSHDSACASA-N -1 0 313.419 3.799 20 0 DHADRM CCCCC[C@H](CC)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595669405 982113174 /nfs/dbraw/zinc/11/31/74/982113174.db2.gz HOVUBPWETOQDIK-ZDUSSCGKSA-N -1 0 309.381 3.850 20 0 DHADRM CCCCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)C(C)(C)C ZINC001595672601 982135232 /nfs/dbraw/zinc/13/52/32/982135232.db2.gz NFAAFADKJVASFL-CQSZACIVSA-N -1 0 321.421 3.896 20 0 DHADRM CCCCC[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595672932 982138516 /nfs/dbraw/zinc/13/85/16/982138516.db2.gz VTQYTGVKJSWHNZ-GOEBONIOSA-N -1 0 305.418 3.720 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594861156 982144568 /nfs/dbraw/zinc/14/45/68/982144568.db2.gz ASARFAKJUKAFSX-WIDZWVOGSA-N -1 0 303.402 3.701 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2cc(C)ccc2s1)C(=O)[O-] ZINC001595677509 982151141 /nfs/dbraw/zinc/15/11/41/982151141.db2.gz XKPPFELXTHWJJP-CYBMUJFWSA-N -1 0 319.426 3.973 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594880821 982231527 /nfs/dbraw/zinc/23/15/27/982231527.db2.gz FIMPZAWIETXFFP-NEPJUHHUSA-N -1 0 307.390 3.793 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001594881163 982235694 /nfs/dbraw/zinc/23/56/94/982235694.db2.gz AVEKEHDZNZTVNS-AVGNSLFASA-N -1 0 306.406 3.506 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595697189 982238277 /nfs/dbraw/zinc/23/82/77/982238277.db2.gz HNPUGBCMLWXUBN-GOEBONIOSA-N -1 0 324.465 3.798 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594881499 982240592 /nfs/dbraw/zinc/24/05/92/982240592.db2.gz SGKLNYDQYKHNDJ-HWWQOWPSSA-N -1 0 304.386 3.988 20 0 DHADRM Cc1ccoc1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000521880705 1014822619 /nfs/dbraw/zinc/82/26/19/1014822619.db2.gz AYDYOVRVRMVBDH-UHFFFAOYSA-N -1 0 317.370 3.520 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595710851 982295749 /nfs/dbraw/zinc/29/57/49/982295749.db2.gz LJZAKGFJMGTZRB-CYBMUJFWSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595710896 982296531 /nfs/dbraw/zinc/29/65/31/982296531.db2.gz NNLCGLBAYKWGLS-ZDUSSCGKSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001595711167 982297775 /nfs/dbraw/zinc/29/77/75/982297775.db2.gz QNUPYLKLIAKGRG-ZDUSSCGKSA-N -1 0 321.417 3.871 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCC[C@@H](C)C1 ZINC001595732202 982367775 /nfs/dbraw/zinc/36/77/75/982367775.db2.gz SJORVRTVGCTTJF-UKRRQHHQSA-N -1 0 318.417 3.601 20 0 DHADRM CC[C@H](C)[C@H](Sc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001594928163 982533079 /nfs/dbraw/zinc/53/30/79/982533079.db2.gz CYNXPZNLZYOAID-JSGCOSHPSA-N -1 0 304.415 3.523 20 0 DHADRM CC[C@@H](C)[C@@H](OC)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001594928794 982543300 /nfs/dbraw/zinc/54/33/00/982543300.db2.gz MVCGPVOFJYOPJN-BDJLRTHQSA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001594930784 982556659 /nfs/dbraw/zinc/55/66/59/982556659.db2.gz BHLKPOQSCOMOPO-MLGOLLRUSA-N -1 0 303.402 3.734 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001594930782 982557329 /nfs/dbraw/zinc/55/73/29/982557329.db2.gz BHLKPOQSCOMOPO-BLLLJJGKSA-N -1 0 303.402 3.734 20 0 DHADRM CC[C@@H](C)CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001594935524 982586534 /nfs/dbraw/zinc/58/65/34/982586534.db2.gz XICYDPQOQSTAMJ-SECBINFHSA-N -1 0 310.419 3.874 20 0 DHADRM CCCCc1cc(Oc2ccc(C(=O)[O-])c(Cl)c2)ncn1 ZINC001595793897 982597398 /nfs/dbraw/zinc/59/73/98/982597398.db2.gz SJCJKDYXGGMWLD-UHFFFAOYSA-N -1 0 306.749 3.963 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001594937339 982599153 /nfs/dbraw/zinc/59/91/53/982599153.db2.gz STAONUAUMOMFNK-NPJQDHAYSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCc1noc(CSCc2ccc(C(=O)[O-])cc2)n1 ZINC001595801747 982615597 /nfs/dbraw/zinc/61/55/97/982615597.db2.gz BMXMYCJGESHARJ-UHFFFAOYSA-N -1 0 306.387 3.544 20 0 DHADRM CC/C(C)=C(/C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738113 982620489 /nfs/dbraw/zinc/62/04/89/982620489.db2.gz OTGSOABZZQJHNL-QXMHVHEDSA-N -1 0 305.374 3.857 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001594946021 982638228 /nfs/dbraw/zinc/63/82/28/982638228.db2.gz VKSKUOOYIZMJPF-GXFFZTMASA-N -1 0 319.426 3.829 20 0 DHADRM CCCCn1ncc(NCc2cc(C(=O)[O-])co2)c1C(C)C ZINC001595810062 982641968 /nfs/dbraw/zinc/64/19/68/982641968.db2.gz FZANHKPBVUACPZ-UHFFFAOYSA-N -1 0 305.378 3.710 20 0 DHADRM CC[C@H](C)CC[C@H](O)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001594958013 982693910 /nfs/dbraw/zinc/69/39/10/982693910.db2.gz OTCQMUNQFZSWNT-FZMZJTMJSA-N -1 0 321.417 3.517 20 0 DHADRM CC[C@@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594958145 982695404 /nfs/dbraw/zinc/69/54/04/982695404.db2.gz RRNMCJBPMDERMQ-OTYXRUKQSA-N -1 0 315.772 3.547 20 0 DHADRM CCCN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(C)C ZINC001595823389 982698805 /nfs/dbraw/zinc/69/88/05/982698805.db2.gz VFXDNUOTUVGBHB-UHFFFAOYSA-N -1 0 315.373 3.585 20 0 DHADRM CC[C@H](C)CCCCC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001594959108 982703952 /nfs/dbraw/zinc/70/39/52/982703952.db2.gz LMWWCANRZWJOPT-LBPRGKRZSA-N -1 0 308.374 3.905 20 0 DHADRM CC[C@H](C)CCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001594959345 982705856 /nfs/dbraw/zinc/70/58/56/982705856.db2.gz RMGIQRUQQVKRQK-YOEHRIQHSA-N -1 0 319.445 3.886 20 0 DHADRM CC[C@H](C)CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001594959407 982706680 /nfs/dbraw/zinc/70/66/80/982706680.db2.gz SZNBAFCMWHBEMR-LRDDRELGSA-N -1 0 309.381 3.674 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(C2CCCC2)c1 ZINC000923152136 982764410 /nfs/dbraw/zinc/76/44/10/982764410.db2.gz APBWNUBXBJQVIV-CXAGYDPISA-N -1 0 315.413 3.670 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595872791 982860693 /nfs/dbraw/zinc/86/06/93/982860693.db2.gz JCKGZILCXUOCEZ-CYBMUJFWSA-N -1 0 306.406 3.604 20 0 DHADRM CC[C@@H](C)Oc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001595008834 982930346 /nfs/dbraw/zinc/93/03/46/982930346.db2.gz RIHJXCQMMADGSD-NXEZZACHSA-N -1 0 321.402 3.587 20 0 DHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC001116536439 982932603 /nfs/dbraw/zinc/93/26/03/982932603.db2.gz ASZKFDBGQRCRIP-HNNXBMFYSA-N -1 0 321.392 3.818 20 0 DHADRM CC[C@@H](C)Oc1ccc(NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001595009362 982934454 /nfs/dbraw/zinc/93/44/54/982934454.db2.gz WJCHCIBWUHHEBG-GFCCVEGCSA-N -1 0 316.401 3.821 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001595013319 982946112 /nfs/dbraw/zinc/94/61/12/982946112.db2.gz GQJVXSAJVCIBOC-ZDUSSCGKSA-N -1 0 318.417 3.967 20 0 DHADRM CC[C@@H](C)c1ccccc1OC(=O)c1ccoc1CC(=O)[O-] ZINC001595013380 982946934 /nfs/dbraw/zinc/94/69/34/982946934.db2.gz HSQOMJJTTGCAMI-LLVKDONJSA-N -1 0 302.326 3.639 20 0 DHADRM CC[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C)cc1 ZINC001118808455 982963283 /nfs/dbraw/zinc/96/32/83/982963283.db2.gz UFHPDHIYDYNJGJ-AWEZNQCLSA-N -1 0 305.418 3.590 20 0 DHADRM CCCOc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)cc1F ZINC001595966299 983171590 /nfs/dbraw/zinc/17/15/90/983171590.db2.gz GOXOFDDFVROXCS-HTTKSJEASA-N -1 0 307.365 3.526 20 0 DHADRM CCCOc1cccc(Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001595969045 983187865 /nfs/dbraw/zinc/18/78/65/983187865.db2.gz KMSKMVYXYQRXNV-UHFFFAOYSA-N -1 0 306.749 3.966 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(F)cc2F)[nH]c(C)c1C(=O)[O-] ZINC001596045141 983330871 /nfs/dbraw/zinc/33/08/71/983330871.db2.gz BBUDSARDOTVRSN-UHFFFAOYSA-N -1 0 322.311 3.504 20 0 DHADRM CCCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)ccc1Cl ZINC001596053774 983355998 /nfs/dbraw/zinc/35/59/98/983355998.db2.gz XPWPPPUFFHEQLL-BXUZGUMPSA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)no1 ZINC001596055149 983357252 /nfs/dbraw/zinc/35/72/52/983357252.db2.gz IIOGIEVMZJNGLF-UHFFFAOYSA-N -1 0 324.336 3.731 20 0 DHADRM CCCc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)s1 ZINC001596060405 983368682 /nfs/dbraw/zinc/36/86/82/983368682.db2.gz HMHQELFVFQNNSA-UHFFFAOYSA-N -1 0 309.431 3.608 20 0 DHADRM CCCc1ccccc1OC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001596070570 983385886 /nfs/dbraw/zinc/38/58/86/983385886.db2.gz MMJBCHQGMWEQHG-HJWRWDBZSA-N -1 0 300.310 3.549 20 0 DHADRM CCCc1nc(C)c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001596082931 983403337 /nfs/dbraw/zinc/40/33/37/983403337.db2.gz DZHSBGYNVNGFBG-HNNXBMFYSA-N -1 0 322.792 3.504 20 0 DHADRM CCN(C(=O)C(C1CCC1)C1CCC1)c1ccccc1C(=O)[O-] ZINC001596130758 983476879 /nfs/dbraw/zinc/47/68/79/983476879.db2.gz CBZCPTKWLGPZFX-UHFFFAOYSA-N -1 0 315.413 3.954 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1cccc(C)c1C ZINC001596164509 983527182 /nfs/dbraw/zinc/52/71/82/983527182.db2.gz RCDWVNPZWRXCGP-UHFFFAOYSA-N -1 0 311.381 3.977 20 0 DHADRM CCN(C(=O)c1cc(SC)oc1C)c1ccccc1C(=O)[O-] ZINC001596165645 983530596 /nfs/dbraw/zinc/53/05/96/983530596.db2.gz YMETWIABZXRKMJ-UHFFFAOYSA-N -1 0 319.382 3.675 20 0 DHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(C)cc1C ZINC001596167311 983532284 /nfs/dbraw/zinc/53/22/84/983532284.db2.gz NMKSTHFNBVJYIG-YFHOEESVSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1cc(C)ccc1C ZINC001596167526 983532661 /nfs/dbraw/zinc/53/26/61/983532661.db2.gz USUSLELZMURNKO-UHFFFAOYSA-N -1 0 311.381 3.977 20 0 DHADRM CCN(CCC1CC1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001596321003 983752739 /nfs/dbraw/zinc/75/27/39/983752739.db2.gz ZDFSHMAHJQZMFG-ZDUSSCGKSA-N -1 0 318.417 3.604 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])cc1F)Cc1c(F)cccc1F ZINC001596357964 983831626 /nfs/dbraw/zinc/83/16/26/983831626.db2.gz VJSWNQPLMCJPPV-UHFFFAOYSA-N -1 0 323.314 3.824 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H](C)C(F)(F)F ZINC001596358018 983832254 /nfs/dbraw/zinc/83/22/54/983832254.db2.gz YSEHKHGBCBHXQU-QMMMGPOBSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001596359975 983837237 /nfs/dbraw/zinc/83/72/37/983837237.db2.gz UZRMMAFFPMGLQC-UHFFFAOYSA-N -1 0 311.809 3.580 20 0 DHADRM CCN(Cc1ccc2ccccc2c1)c1nc(C)cc(C(=O)[O-])n1 ZINC001596364484 983847126 /nfs/dbraw/zinc/84/71/26/983847126.db2.gz INJNIEDAFSGCHJ-UHFFFAOYSA-N -1 0 321.380 3.663 20 0 DHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccs2)c(O)c1 ZINC000443532606 1014987135 /nfs/dbraw/zinc/98/71/35/1014987135.db2.gz SNPLLONUQUIEDE-UHFFFAOYSA-N -1 0 311.428 3.552 20 0 DHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000443531327 1014985844 /nfs/dbraw/zinc/98/58/44/1014985844.db2.gz QKZDYXIOVUAMDX-UHFFFAOYSA-N -1 0 319.426 3.799 20 0 DHADRM CCN(Cc1ccsc1C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001596378342 983893552 /nfs/dbraw/zinc/89/35/52/983893552.db2.gz LWRFRESJNVMNKQ-UHFFFAOYSA-N -1 0 300.383 3.954 20 0 DHADRM CCOC(=O)C1CCC(S[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC001596569329 984458340 /nfs/dbraw/zinc/45/83/40/984458340.db2.gz BGIZCLINMKHLTN-YMAMQOFZSA-N -1 0 322.426 3.667 20 0 DHADRM CCOC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596592046 984526932 /nfs/dbraw/zinc/52/69/32/984526932.db2.gz AHFZCMCHTRKDFW-RNCFNFMXSA-N -1 0 316.806 3.541 20 0 DHADRM C=Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588919812 984574698 /nfs/dbraw/zinc/57/46/98/984574698.db2.gz PKRMIXPLDVKSGM-MRXNPFEDSA-N -1 0 307.349 3.548 20 0 DHADRM C/C(=C/C(=O)N(C)c1ccccc1C(=O)[O-])c1cccs1 ZINC001588932745 984609880 /nfs/dbraw/zinc/60/98/80/984609880.db2.gz IRWHQDPCBLYSEN-KHPPLWFESA-N -1 0 301.367 3.513 20 0 DHADRM C/C(=C\C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001588937463 984616482 /nfs/dbraw/zinc/61/64/82/984616482.db2.gz IISQJPAXBMTKGP-HBIYDYFMSA-N -1 0 321.804 3.599 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1C ZINC001588944115 984645058 /nfs/dbraw/zinc/64/50/58/984645058.db2.gz PDWFAEHHCIUVEV-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C\C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccccc1 ZINC001588944202 984645752 /nfs/dbraw/zinc/64/57/52/984645752.db2.gz RTCAYAUFBZKHQZ-JXMROGBWSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1cccs1 ZINC001588944581 984649047 /nfs/dbraw/zinc/64/90/47/984649047.db2.gz ZSIFIXSHMFONNE-DHZHZOJOSA-N -1 0 301.367 3.797 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC001599890870 984692608 /nfs/dbraw/zinc/69/26/08/984692608.db2.gz WIHUKCHIFPSJPU-SECBINFHSA-N -1 0 308.717 3.620 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588955870 984699426 /nfs/dbraw/zinc/69/94/26/984699426.db2.gz BDUYSSWQFHLZNM-FQNOHDAGSA-N -1 0 303.402 3.619 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001588956127 984701610 /nfs/dbraw/zinc/70/16/10/984701610.db2.gz HEXMTVULHGAUBQ-LEYSTLMOSA-N -1 0 307.434 3.613 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588956545 984705864 /nfs/dbraw/zinc/70/58/64/984705864.db2.gz SHCHUUNYJLRRIA-XMLNYZDCSA-N -1 0 307.434 3.519 20 0 DHADRM C/C(=C\CN(Cc1ccc(C)o1)c1ccc(F)cc1)C(=O)[O-] ZINC001588959076 984718979 /nfs/dbraw/zinc/71/89/79/984718979.db2.gz VAZYYQCYUPIINR-FMIVXFBMSA-N -1 0 303.333 3.765 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1)C(=O)[O-] ZINC000191405917 1015060310 /nfs/dbraw/zinc/06/03/10/1015060310.db2.gz LSVZNOZAUINSHE-LBPRGKRZSA-N -1 0 322.364 3.683 20 0 DHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC001599902896 984874541 /nfs/dbraw/zinc/87/45/41/984874541.db2.gz SPDBWOMMHHFANV-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](OC(=O)/C=C\c1cccs1)c1ccc(C(=O)[O-])cc1 ZINC001599903955 984897921 /nfs/dbraw/zinc/89/79/21/984897921.db2.gz TXFBKEIOZYOBMZ-IQQGHNRFSA-N -1 0 302.351 3.764 20 0 DHADRM C[C@H](OC(=O)c1cc2ccsc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC001599904214 984901376 /nfs/dbraw/zinc/90/13/76/984901376.db2.gz OHLLGVYAUFRRDH-VIFPVBQESA-N -1 0 315.350 3.846 20 0 DHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)OC1(C(=O)[O-])CC1 ZINC001588995919 984929864 /nfs/dbraw/zinc/92/98/64/984929864.db2.gz WOLCVXYTQNULAE-BQYQJAHWSA-N -1 0 315.152 3.557 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001588998359 984935049 /nfs/dbraw/zinc/93/50/49/984935049.db2.gz JSVPDDBECLZPMN-LUAWRHEFSA-N -1 0 300.285 3.533 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001599907768 984945649 /nfs/dbraw/zinc/94/56/49/984945649.db2.gz FFQHBJGCIFONGA-SGTLLEGYSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)c2ccc(C(=O)[O-])s2)C1(C)C ZINC001599907970 984948252 /nfs/dbraw/zinc/94/82/52/984948252.db2.gz JRTXDOVYZAFRCH-QFYYESIMSA-N -1 0 309.431 3.639 20 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O=C([N-]OCc1ccccc1)[C@@H](c1ccncc1)C1CCCC1 ZINC000895544831 1015199558 /nfs/dbraw/zinc/19/95/58/1015199558.db2.gz OEAZMTKGCXWKNQ-GOSISDBHSA-N -1 0 310.397 3.603 20 0 DHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C(C)(C)F)ccc2n1C1CC1 ZINC001599985484 986221220 /nfs/dbraw/zinc/22/12/20/986221220.db2.gz SRCFLMNTYMZZJF-UHFFFAOYSA-N -1 0 319.332 3.636 20 0 DHADRM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])c2cccc(Cl)c2O1 ZINC001594547105 986221854 /nfs/dbraw/zinc/22/18/54/986221854.db2.gz FLJDCCCXVSWTJV-SECBINFHSA-N -1 0 323.801 3.887 20 0 DHADRM C[C@H](C(=O)N(c1ccccc1C(=O)[O-])C1CCC1)c1ccco1 ZINC001589343774 986275858 /nfs/dbraw/zinc/27/58/58/986275858.db2.gz XLSPEWQQNOKAHH-LBPRGKRZSA-N -1 0 313.353 3.667 20 0 DHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)[C@H](C)C(C)(C)C ZINC001589346057 986283880 /nfs/dbraw/zinc/28/38/80/986283880.db2.gz KRVBNALCYRGELJ-QXKUPLGCSA-N -1 0 323.477 3.797 20 0 DHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)[C@H](C)C(C)(C)C ZINC001589346249 986284903 /nfs/dbraw/zinc/28/49/03/986284903.db2.gz NIOGPZOWHZXTQY-OBJOEFQTSA-N -1 0 303.402 3.520 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)C1CCCC1 ZINC001597008850 986337847 /nfs/dbraw/zinc/33/78/47/986337847.db2.gz FZTIDPPRRISINI-UHFFFAOYSA-N -1 0 319.401 3.938 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(C)cc1 ZINC001597021864 986414485 /nfs/dbraw/zinc/41/44/85/986414485.db2.gz FBQNKCUEVRJNTG-UHFFFAOYSA-N -1 0 314.341 3.736 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C)c1C ZINC001597024886 986430141 /nfs/dbraw/zinc/43/01/41/986430141.db2.gz FVDXDBLLRNBFEU-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1 ZINC001597026408 986434650 /nfs/dbraw/zinc/43/46/50/986434650.db2.gz WXHQYOQHYVZILZ-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC(C)(C)C1 ZINC001594584267 986458384 /nfs/dbraw/zinc/45/83/84/986458384.db2.gz YQYNTRHECZMKGS-SECBINFHSA-N -1 0 316.323 3.671 20 0 DHADRM CCOc1cc(/C=C/c2ccc(C(=O)[O-])cn2)cc(Cl)c1O ZINC001597033010 986459260 /nfs/dbraw/zinc/45/92/60/986459260.db2.gz JNXPECPVBLZHKA-HWKANZROSA-N -1 0 319.744 3.708 20 0 DHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1cccs1 ZINC001589401415 986571592 /nfs/dbraw/zinc/57/15/92/986571592.db2.gz SLWSUUQKVQYPJT-OCCSQVGLSA-N -1 0 323.458 3.639 20 0 DHADRM C[C@H]1CSC(SCc2c(Cl)cccc2C(=O)[O-])=N1 ZINC001594609631 986597746 /nfs/dbraw/zinc/59/77/46/986597746.db2.gz IQNDKABFQFDCGE-ZETCQYMHSA-N -1 0 301.820 3.763 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001589430829 986721156 /nfs/dbraw/zinc/72/11/56/986721156.db2.gz VNURPIOZORJVFQ-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC001589431139 986725302 /nfs/dbraw/zinc/72/53/02/986725302.db2.gz FDNKXHKEQUOYBF-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)n1cccc1 ZINC001589439244 986772295 /nfs/dbraw/zinc/77/22/95/986772295.db2.gz GVFPUVBHNZVCLV-JTQLQIEISA-N -1 0 314.366 3.601 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@H](C)C(C)(C)C ZINC001589440281 986785196 /nfs/dbraw/zinc/78/51/96/986785196.db2.gz VJIZGNSWQSPQPM-CHWSQXEVSA-N -1 0 305.418 3.961 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001597151185 986934808 /nfs/dbraw/zinc/93/48/08/986934808.db2.gz YQVFSRMPIAPAPW-IUODEOHRSA-N -1 0 308.374 3.581 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cscc1Cl)c1ccccc1 ZINC001589470276 986953488 /nfs/dbraw/zinc/95/34/88/986953488.db2.gz XZLCZQUXWCCNTG-ZANVPECISA-N -1 0 323.801 3.593 20 0 DHADRM C/C=C(/C=C/C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)CC ZINC001594676995 987010832 /nfs/dbraw/zinc/01/08/32/987010832.db2.gz HIUVTVOYVXNXRO-MFHXFDOCSA-N -1 0 307.434 3.686 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001594685994 987059742 /nfs/dbraw/zinc/05/97/42/987059742.db2.gz KQEHLLDUXUSDHU-AAOUONPWSA-N -1 0 322.430 3.965 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001594686465 987066147 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CC[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729059 987239036 /nfs/dbraw/zinc/23/90/36/987239036.db2.gz DCAJFXSXAAMDRE-ODZFXCKXSA-N -1 0 323.477 3.942 20 0 DHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)cc1 ZINC001589540841 987248291 /nfs/dbraw/zinc/24/82/91/987248291.db2.gz SGTDLNKGXJWFJU-NOZJJQNGSA-N -1 0 324.785 3.874 20 0 DHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589548274 987275512 /nfs/dbraw/zinc/27/55/12/987275512.db2.gz CSCFZGPYAZJKAO-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](C(=O)Oc1cccc2c(CC(=O)[O-])cccc12)C1CCC1 ZINC001589552489 987286722 /nfs/dbraw/zinc/28/67/22/987286722.db2.gz GBMAPPXFPXSSHL-GFCCVEGCSA-N -1 0 312.365 3.809 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)[C@@H](C)C(C)(C)C ZINC001589553188 987289211 /nfs/dbraw/zinc/28/92/11/987289211.db2.gz LCYZPWOZLRLXJK-VXGBXAGGSA-N -1 0 321.417 3.675 20 0 DHADRM C[C@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccsc1 ZINC001589553273 987289895 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CCc1[nH]c(CN(CC)Cc2c(F)cccc2F)cc1C(=O)[O-] ZINC001597380581 987576426 /nfs/dbraw/zinc/57/64/26/987576426.db2.gz RDEWALRNEZDMTN-UHFFFAOYSA-N -1 0 322.355 3.576 20 0 DHADRM CC(C)(C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589681752 987714847 /nfs/dbraw/zinc/71/48/47/987714847.db2.gz CZZNASTWQYVKOD-UHFFFAOYSA-N -1 0 318.756 3.921 20 0 DHADRM CCc1c(NCc2cc(C)c(C(=O)[O-])o2)cnn1CCC(C)C ZINC001597419632 987724915 /nfs/dbraw/zinc/72/49/15/987724915.db2.gz GUIOCYINPIDFIK-UHFFFAOYSA-N -1 0 319.405 3.703 20 0 DHADRM CCc1c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cnn1CCC(C)C ZINC001597420043 987730578 /nfs/dbraw/zinc/73/05/78/987730578.db2.gz UEASCBBBSZYWHA-RBSFLKMASA-N -1 0 321.465 3.793 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)/C=C\c2ccccc2)s1 ZINC001597440222 987798335 /nfs/dbraw/zinc/79/83/35/987798335.db2.gz BGQVZMDWGDIAIZ-HJWRWDBZSA-N -1 0 301.367 3.661 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccccc2CC)s1 ZINC001597440184 987798373 /nfs/dbraw/zinc/79/83/73/987798373.db2.gz 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ZINC001597459270 987884619 /nfs/dbraw/zinc/88/46/19/987884619.db2.gz YYIVISMHNUPSDM-OSAQELSMSA-N -1 0 316.401 3.505 20 0 DHADRM CC(C)(C)[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC001589722417 987890242 /nfs/dbraw/zinc/89/02/42/987890242.db2.gz GBDNPLSSLBNLCD-XPSMFNQNSA-N -1 0 317.414 3.567 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1 ZINC001597463944 987894995 /nfs/dbraw/zinc/89/49/95/987894995.db2.gz HWKWTFUGUUDOEK-UHFFFAOYSA-N -1 0 303.745 3.853 20 0 DHADRM CSC1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001599784369 987897442 /nfs/dbraw/zinc/89/74/42/987897442.db2.gz VPBWRLBCYZFGAD-AWEZNQCLSA-N -1 0 320.410 3.591 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc(C(C)C)n1 ZINC001597465987 987910492 /nfs/dbraw/zinc/91/04/92/987910492.db2.gz LZEUCCUVDMPRFO-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)CC1 ZINC001589726609 987910846 /nfs/dbraw/zinc/91/08/46/987910846.db2.gz MXRWGQSCERGKQF-SVGDTCPJSA-N -1 0 323.477 3.989 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)C1 ZINC001589726746 987913034 /nfs/dbraw/zinc/91/30/34/987913034.db2.gz NZGLVKRWQXEXBG-UHFFFAOYSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC001589726975 987918398 /nfs/dbraw/zinc/91/83/98/987918398.db2.gz URMJFMXFNXNSNK-NRXISQOPSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589728848 987936788 /nfs/dbraw/zinc/93/67/88/987936788.db2.gz PKXKWYDIYMXYMG-PQAPVRDISA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001589729160 987941078 /nfs/dbraw/zinc/94/10/78/987941078.db2.gz USTMJZUZDGCMTN-CABCVRRESA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001589729161 987941122 /nfs/dbraw/zinc/94/11/22/987941122.db2.gz USTMJZUZDGCMTN-GJZGRUSLSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589729308 987942689 /nfs/dbraw/zinc/94/26/89/987942689.db2.gz WVUUGUXHQAPSRC-KGLIPLIRSA-N -1 0 318.417 3.505 20 0 DHADRM CCC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000053662530 1015347380 /nfs/dbraw/zinc/34/73/80/1015347380.db2.gz SXUZRLSJFAYZGD-UHFFFAOYSA-N -1 0 318.760 3.646 20 0 DHADRM CS/C=C\C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001599790329 987995730 /nfs/dbraw/zinc/99/57/30/987995730.db2.gz JGVDXSUIGDCUIL-IHWYPQMZSA-N -1 0 306.170 3.507 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc2ncccc21 ZINC000474430808 1015352789 /nfs/dbraw/zinc/35/27/89/1015352789.db2.gz ZLTHZGNUKIJMHV-UHFFFAOYSA-N -1 0 316.719 3.985 20 0 DHADRM COc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccc1C ZINC000474431789 1015353449 /nfs/dbraw/zinc/35/34/49/1015353449.db2.gz IEVTWFNTOVUOCM-UHFFFAOYSA-N -1 0 309.724 3.754 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1c1ccncc1 ZINC000130336044 1015353843 /nfs/dbraw/zinc/35/38/43/1015353843.db2.gz ZYFUGUKETHUMCD-OAHLLOKOSA-N -1 0 314.360 3.684 20 0 DHADRM CCc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1CC ZINC001597499979 988052259 /nfs/dbraw/zinc/05/22/59/988052259.db2.gz BDBWRYWVQXCNKL-UHFFFAOYSA-N -1 0 317.429 3.719 20 0 DHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474434083 1015358563 /nfs/dbraw/zinc/35/85/63/1015358563.db2.gz WSLGETQRISHVRA-UHFFFAOYSA-N -1 0 319.430 3.567 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)C(=O)[O-] ZINC001589759924 988078541 /nfs/dbraw/zinc/07/85/41/988078541.db2.gz HDDJTORYZGMOLH-CHWSQXEVSA-N -1 0 322.426 3.699 20 0 DHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599795364 988088034 /nfs/dbraw/zinc/08/80/34/988088034.db2.gz MWVZAOIKJNLGKI-GFCCVEGCSA-N -1 0 324.446 3.607 20 0 DHADRM CCCOc1ccccc1NC(=O)c1cnc2ccccc2c1O ZINC000053795426 1015360978 /nfs/dbraw/zinc/36/09/78/1015360978.db2.gz SGQFXSDCDTWQFQ-UHFFFAOYSA-N -1 0 322.364 3.569 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001589771704 988122881 /nfs/dbraw/zinc/12/28/81/988122881.db2.gz CVQKCJNHQAVNCW-SOUVJXGZSA-N -1 0 309.450 3.695 20 0 DHADRM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C(=O)[O-])no2)o1 ZINC001597516849 988130157 /nfs/dbraw/zinc/13/01/57/988130157.db2.gz GRGYXSIGZQXRTC-IAQYHMDHSA-N -1 0 318.373 3.501 20 0 DHADRM CCc1ccc(CC)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001597521484 988155959 /nfs/dbraw/zinc/15/59/59/988155959.db2.gz OOLBPZIXTQSRIT-NTMALXAHSA-N -1 0 313.353 3.755 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001589784341 988164135 /nfs/dbraw/zinc/16/41/35/988164135.db2.gz QDRAGVXGWXVKLZ-VHSXEESVSA-N -1 0 322.430 3.730 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001589784512 988166634 /nfs/dbraw/zinc/16/66/34/988166634.db2.gz UIHIFDOBXKKOCS-JKSUJKDBSA-N -1 0 317.429 3.562 20 0 DHADRM CCc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597547279 988258032 /nfs/dbraw/zinc/25/80/32/988258032.db2.gz UYZKGHUYARHVNN-UHFFFAOYSA-N -1 0 314.341 3.600 20 0 DHADRM CSc1c(F)cc(NCc2cc(C(=O)[O-])c(C)[nH]2)cc1F ZINC001599806226 988260352 /nfs/dbraw/zinc/26/03/52/988260352.db2.gz QTXHXQUIINSAHW-UHFFFAOYSA-N -1 0 312.341 3.634 20 0 DHADRM CSc1c(F)cc(NC(=O)CC(C)(C)CC(=O)[O-])cc1F ZINC001599806341 988262340 /nfs/dbraw/zinc/26/23/40/988262340.db2.gz RRDHRTRVJWLZFK-UHFFFAOYSA-N -1 0 317.357 3.516 20 0 DHADRM CCc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1Cl ZINC001597550881 988270304 /nfs/dbraw/zinc/27/03/04/988270304.db2.gz PARUFQYRMPYCSF-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CSc1c(F)cccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599807572 988280384 /nfs/dbraw/zinc/28/03/84/988280384.db2.gz JKXMFGDCJILOQA-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CCc1ccc(O)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001597556202 988287247 /nfs/dbraw/zinc/28/72/47/988287247.db2.gz JBPAAKKFEFYWNH-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CCc1ccc2occ(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c2c1 ZINC001597570362 988342344 /nfs/dbraw/zinc/34/23/44/988342344.db2.gz FMUYWPMSWWZCDS-HNNXBMFYSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001597572827 988355267 /nfs/dbraw/zinc/35/52/67/988355267.db2.gz NPLWCZXLHKQSGQ-JKSUJKDBSA-N -1 0 309.365 3.689 20 0 DHADRM CCc1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n1 ZINC001597577103 988371955 /nfs/dbraw/zinc/37/19/55/988371955.db2.gz ZQTCUYLSGWBICT-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1cccc(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC001597585457 988396110 /nfs/dbraw/zinc/39/61/10/988396110.db2.gz OKFHUPYNAHVPHO-UHFFFAOYSA-N -1 0 317.410 3.807 20 0 DHADRM CSc1ccc(F)cc1CNc1ccc(C(=O)[O-])c(C)n1 ZINC001599814490 988397233 /nfs/dbraw/zinc/39/72/33/988397233.db2.gz LRDNLTXYPNDLKN-UHFFFAOYSA-N -1 0 306.362 3.561 20 0 DHADRM CSc1ccc(N(C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001599814545 988398093 /nfs/dbraw/zinc/39/80/93/988398093.db2.gz OXMSKUTVTIXWTO-JXMROGBWSA-N -1 0 303.383 3.736 20 0 DHADRM CCc1ccccc1CC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597609684 988498303 /nfs/dbraw/zinc/49/83/03/988498303.db2.gz VILSSUYVHHDHFM-UHFFFAOYSA-N -1 0 317.410 3.807 20 0 DHADRM CSc1ccc(NC(=O)c2oc(C)cc2C)cc1C(=O)[O-] ZINC001599820556 988506079 /nfs/dbraw/zinc/50/60/79/988506079.db2.gz AWJOOVHSSKUAIN-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1ccc(NC(=O)c2sccc2F)cc1C(=O)[O-] ZINC001599820966 988512065 /nfs/dbraw/zinc/51/20/65/988512065.db2.gz RNJJISLALFIPIU-UHFFFAOYSA-N -1 0 311.359 3.560 20 0 DHADRM CSc1ccc(NCc2nc3ccccc3o2)cc1C(=O)[O-] ZINC001599821008 988513270 /nfs/dbraw/zinc/51/32/70/988513270.db2.gz UCXYYNQIEGGEQD-UHFFFAOYSA-N -1 0 314.366 3.860 20 0 DHADRM CSc1ccc(N[C@@H]2CCc3cccnc32)cc1C(=O)[O-] ZINC001599820999 988513421 /nfs/dbraw/zinc/51/34/21/988513421.db2.gz SUTRXILCPJRHCH-CYBMUJFWSA-N -1 0 300.383 3.601 20 0 DHADRM CC(C)(C)OC(=O)CCCSCc1ccccc1C(=O)[O-] ZINC001589873802 988522105 /nfs/dbraw/zinc/52/21/05/988522105.db2.gz CDTOAKPJOJUENN-UHFFFAOYSA-N -1 0 310.415 3.740 20 0 DHADRM CSc1ccccc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599823339 988552880 /nfs/dbraw/zinc/55/28/80/988552880.db2.gz OERRALAWLKMREY-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1ccccc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001599823579 988558036 /nfs/dbraw/zinc/55/80/36/988558036.db2.gz YIVRCRYUVHSLIJ-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CSc1ccccc1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599823787 988561689 /nfs/dbraw/zinc/56/16/89/988561689.db2.gz DSWQSSOBNAJWGV-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599833462 988708517 /nfs/dbraw/zinc/70/85/17/988708517.db2.gz LOACGCHHUQIUQR-NSHDSACASA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1 ZINC000211762710 1015416095 /nfs/dbraw/zinc/41/60/95/1015416095.db2.gz MXBDMRGYWJMUAH-TWGQIWQCSA-N -1 0 316.740 3.700 20 0 DHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000054010241 1015420457 /nfs/dbraw/zinc/42/04/57/1015420457.db2.gz AERCAGOJDJBQCP-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1Cl ZINC001599840876 988827165 /nfs/dbraw/zinc/82/71/65/988827165.db2.gz QFBWTKFGBSFEEE-MRVPVSSYSA-N -1 0 309.774 3.591 20 0 DHADRM CCc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013253715 1015425723 /nfs/dbraw/zinc/42/57/23/1015425723.db2.gz AQHRAASERPOWSF-LJQANCHMSA-N -1 0 311.381 3.620 20 0 DHADRM CCc1nn(C)c(CC)c1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597715956 988979707 /nfs/dbraw/zinc/97/97/07/988979707.db2.gz HFSGICVAKOSJHE-UHFFFAOYSA-N -1 0 321.808 3.509 20 0 DHADRM CCc1nnc(CSc2cc3ccccc3cc2C(=O)[O-])o1 ZINC001597730945 989051359 /nfs/dbraw/zinc/05/13/59/989051359.db2.gz UWEHPAAFTAYGIS-UHFFFAOYSA-N -1 0 314.366 3.776 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC001599859796 989149096 /nfs/dbraw/zinc/14/90/96/989149096.db2.gz SICOTBILUDWSBV-CXAGYDPISA-N -1 0 324.380 3.538 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C[C@@H]1CCC[C@@H](C)C1)OC ZINC001597761519 989190181 /nfs/dbraw/zinc/19/01/81/989190181.db2.gz JFXQEIHMPNLZDZ-CHWSQXEVSA-N -1 0 309.406 3.730 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001597808049 989422659 /nfs/dbraw/zinc/42/26/59/989422659.db2.gz QXXNXJXHHMTXRV-UHFFFAOYSA-N -1 0 324.336 3.528 20 0 DHADRM CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001590302716 989728081 /nfs/dbraw/zinc/72/80/81/989728081.db2.gz CMTCMUGKNAFUGO-BXUZGUMPSA-N -1 0 320.389 3.699 20 0 DHADRM CCn1cc(Cl)cc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001597895744 989758809 /nfs/dbraw/zinc/75/88/09/989758809.db2.gz TUBQCJQKXSECQU-UHFFFAOYSA-N -1 0 321.760 3.525 20 0 DHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001590416817 989957874 /nfs/dbraw/zinc/95/78/74/989957874.db2.gz RPCNDHAYDCWMJM-UHFFFAOYSA-N -1 0 313.353 3.814 20 0 DHADRM CC(C)(C)SCC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001590429802 989987183 /nfs/dbraw/zinc/98/71/83/989987183.db2.gz XDOHUSOPCIYPEW-LBPRGKRZSA-N -1 0 316.806 3.541 20 0 DHADRM CC(C)(C)SCCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001590429889 989989180 /nfs/dbraw/zinc/98/91/80/989989180.db2.gz NLAOZPYXEJSKAB-CYBMUJFWSA-N -1 0 307.459 3.987 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001590435415 989996187 /nfs/dbraw/zinc/99/61/87/989996187.db2.gz DDQPCUCHRMFUBI-HTQZYQBOSA-N -1 0 313.756 3.798 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)s1 ZINC001590475309 990048241 /nfs/dbraw/zinc/04/82/41/990048241.db2.gz ISHQCPVZFNOLGP-AWEZNQCLSA-N -1 0 323.458 3.809 20 0 DHADRM CN(C(=O)/C(F)=C/C1CCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC001597991179 990090416 /nfs/dbraw/zinc/09/04/16/990090416.db2.gz CUGKXWGQSFSPCB-IRVMHKCDSA-N -1 0 319.376 3.704 20 0 DHADRM O=S(=O)([N-]c1cccc2ccccc21)c1c[nH]c2ncccc12 ZINC000341561837 1015534339 /nfs/dbraw/zinc/53/43/39/1015534339.db2.gz IHXSYLCJSQKWST-UHFFFAOYSA-N -1 0 323.377 3.517 20 0 DHADRM CC(C)(C)c1csc(C(=O)Nc2ccc(F)cc2C(=O)[O-])n1 ZINC001590532705 990144251 /nfs/dbraw/zinc/14/42/51/990144251.db2.gz KAFXUUIYCFMBNP-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)(C)c1csc(COc2ccc(C(=O)[O-])cc2C=O)n1 ZINC001590536534 990148294 /nfs/dbraw/zinc/14/82/94/990148294.db2.gz DNDLCSOOEVUTTO-UHFFFAOYSA-N -1 0 319.382 3.530 20 0 DHADRM CC(C)(C)c1nc(NC(=O)[C@]23C[C@H]2CCCC3)sc1C(=O)[O-] ZINC001590541828 990167081 /nfs/dbraw/zinc/16/70/81/990167081.db2.gz IYCKMSIJTQTTCE-JDNHERCYSA-N -1 0 322.430 3.658 20 0 DHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)c1ccccc1C(=O)[O-] ZINC001598008302 990170939 /nfs/dbraw/zinc/17/09/39/990170939.db2.gz UMZLEEKLBNBBSB-UHFFFAOYSA-N -1 0 317.307 3.716 20 0 DHADRM CC(C)(C)n1cc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cn1 ZINC001590593338 990243683 /nfs/dbraw/zinc/24/36/83/990243683.db2.gz CQZSFDVYOOSASJ-UONOGXRCSA-N -1 0 307.438 3.864 20 0 DHADRM CC(C)(C)n1cc(CSCc2csc(C(=O)[O-])c2)cn1 ZINC001590594026 990252035 /nfs/dbraw/zinc/25/20/35/990252035.db2.gz ZTYOLQCAHCGPKZ-UHFFFAOYSA-N -1 0 310.444 3.831 20 0 DHADRM CC(C)(CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CCCCC1 ZINC001590621989 990305916 /nfs/dbraw/zinc/30/59/16/990305916.db2.gz ZJBVZQDJRQPTRF-CLWVCHIJSA-N -1 0 321.461 3.599 20 0 DHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001590626496 990315166 /nfs/dbraw/zinc/31/51/66/990315166.db2.gz VVZFIGUIEGXHDQ-UHFFFAOYSA-N -1 0 323.408 3.844 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000684479011 1015557648 /nfs/dbraw/zinc/55/76/48/1015557648.db2.gz STFFAYFLCIVUAL-LLVKDONJSA-N -1 0 309.699 3.602 20 0 DHADRM CN(C(=O)c1ccc(C(F)F)cc1F)c1ccccc1C(=O)[O-] ZINC001598083463 990411654 /nfs/dbraw/zinc/41/16/54/990411654.db2.gz YZWXYPRLNVQCQE-UHFFFAOYSA-N -1 0 323.270 3.738 20 0 DHADRM CC(C)(CNC(=O)/C=C\c1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001590707977 990456940 /nfs/dbraw/zinc/45/69/40/990456940.db2.gz MIVGMIMPWKOABQ-HJWRWDBZSA-N -1 0 319.401 3.714 20 0 DHADRM CC(C)(CNC(=O)NCCCCC1(C(=O)[O-])CCC1)C1CCC1 ZINC001590723299 990504584 /nfs/dbraw/zinc/50/45/84/990504584.db2.gz VBIMKPCHKKDDLF-UHFFFAOYSA-N -1 0 324.465 3.537 20 0 DHADRM CC(C)C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000013467926 1015567671 /nfs/dbraw/zinc/56/76/71/1015567671.db2.gz AZOAWAJYPLORDL-MRXNPFEDSA-N -1 0 317.429 3.925 20 0 DHADRM CC(C)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1 ZINC001590743583 990543373 /nfs/dbraw/zinc/54/33/73/990543373.db2.gz ZBCPXZHNPUNWLG-LSDHHAIUSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(COC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1 ZINC001590783203 990597818 /nfs/dbraw/zinc/59/78/18/990597818.db2.gz BBCMWNOCLGZLGL-UHFFFAOYSA-N -1 0 316.397 3.543 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c(C)c1 ZINC000013948477 1015587104 /nfs/dbraw/zinc/58/71/04/1015587104.db2.gz UJWCGPRBZHNNBS-UHFFFAOYSA-N -1 0 322.430 3.698 20 0 DHADRM CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001590914214 990897139 /nfs/dbraw/zinc/89/71/39/990897139.db2.gz CCJYSZZUAYBUJJ-RRFJBIMHSA-N -1 0 309.450 3.859 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001590914959 990901154 /nfs/dbraw/zinc/90/11/54/990901154.db2.gz MWQHCHGRHRPXPF-QLFBSQMISA-N -1 0 302.370 3.594 20 0 DHADRM CC(C)=CCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590921847 990914319 /nfs/dbraw/zinc/91/43/19/990914319.db2.gz YBJKADSWYQYTGU-UHFFFAOYSA-N -1 0 314.744 3.655 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001590922209 990918325 /nfs/dbraw/zinc/91/83/25/990918325.db2.gz UJPAEFWOHAOXGB-GFCCVEGCSA-N -1 0 304.390 3.799 20 0 DHADRM COc1cccc(SCCOc2cc(C(=O)[O-])ccc2C)c1 ZINC001599684017 990957877 /nfs/dbraw/zinc/95/78/77/990957877.db2.gz LNNSMOXEEWBVQR-UHFFFAOYSA-N -1 0 318.394 3.873 20 0 DHADRM CC(C)[C@@H](C)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001590969557 991096953 /nfs/dbraw/zinc/09/69/53/991096953.db2.gz FTTKAKCBNZACRC-QLFBSQMISA-N -1 0 303.402 3.565 20 0 DHADRM CC(C)[C@@H](F)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001590995808 991222286 /nfs/dbraw/zinc/22/22/86/991222286.db2.gz FBSZRZGTUHTRLG-MNOVXSKESA-N -1 0 323.147 3.656 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591057752 991468763 /nfs/dbraw/zinc/46/87/63/991468763.db2.gz ISDBFIWIGMZGEE-ANRSDYALSA-N -1 0 313.756 3.798 20 0 DHADRM CC(C)C1CCC(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001591079546 991574370 /nfs/dbraw/zinc/57/43/70/991574370.db2.gz ILOYSZBNDQMSNT-BQYQJAHWSA-N -1 0 319.401 3.570 20 0 DHADRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591080129 991580115 /nfs/dbraw/zinc/58/01/15/991580115.db2.gz OTBYDTYINGPLCU-MNOVXSKESA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)C1CCC(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001591080921 991588850 /nfs/dbraw/zinc/58/88/50/991588850.db2.gz FIWNCLLSLSDINQ-NTMALXAHSA-N -1 0 319.401 3.570 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001591081275 991591271 /nfs/dbraw/zinc/59/12/71/991591271.db2.gz YBFCYZADHZOTIV-NWDGAFQWSA-N -1 0 317.410 3.508 20 0 DHADRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001591081485 991593748 /nfs/dbraw/zinc/59/37/48/991593748.db2.gz ZUVZHHWFALOLFP-SFYZADRCSA-N -1 0 316.184 3.922 20 0 DHADRM CC(C)[C@H]1CCCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001591087656 991610703 /nfs/dbraw/zinc/61/07/03/991610703.db2.gz PBUPXHLQUFTYJD-JTQLQIEISA-N -1 0 316.323 3.671 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001591088793 991624952 /nfs/dbraw/zinc/62/49/52/991624952.db2.gz LZHYGHRKCIXWIK-QWHCGFSZSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001591088703 991625010 /nfs/dbraw/zinc/62/50/10/991625010.db2.gz KKOBLYQDKHQDRN-CJNGLKHVSA-N -1 0 303.402 3.720 20 0 DHADRM COc1cncc(COc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599726491 991635166 /nfs/dbraw/zinc/63/51/66/991635166.db2.gz RVFDAIYRTYVQMA-UHFFFAOYSA-N -1 0 309.321 3.521 20 0 DHADRM CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001591093069 991653197 /nfs/dbraw/zinc/65/31/97/991653197.db2.gz ITRSVWFFPYVMPS-MRXNPFEDSA-N -1 0 309.365 3.785 20 0 DHADRM COc1ncc(CNc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC001599734071 991748392 /nfs/dbraw/zinc/74/83/92/991748392.db2.gz LWLWSHIGVQMPNM-UHFFFAOYSA-N -1 0 320.395 3.677 20 0 DHADRM CC(C)C[C@@H](C(=O)OC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001591124288 991813326 /nfs/dbraw/zinc/81/33/26/991813326.db2.gz MBEAZBCRVOUAKH-AVVWSFFYSA-N -1 0 304.386 3.613 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001591130537 991823175 /nfs/dbraw/zinc/82/31/75/991823175.db2.gz JZMRPCACCOFUNA-ZDUSSCGKSA-N -1 0 307.390 3.551 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001591133114 991831924 /nfs/dbraw/zinc/83/19/24/991831924.db2.gz FTQRKJZJTFKWJU-LBPRGKRZSA-N -1 0 324.446 3.659 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001591137497 991842906 /nfs/dbraw/zinc/84/29/06/991842906.db2.gz CZBZVABKXDTQFQ-CQSZACIVSA-N -1 0 307.390 3.535 20 0 DHADRM CC(C)C[C@H](C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001591137505 991843025 /nfs/dbraw/zinc/84/30/25/991843025.db2.gz DFWOSFKTPNFSSM-SMDDNHRTSA-N -1 0 311.353 3.502 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001591137800 991847832 /nfs/dbraw/zinc/84/78/32/991847832.db2.gz DRRXYPQJKUUKFK-GFCCVEGCSA-N -1 0 308.374 3.999 20 0 DHADRM CC(C)C[C@H](C)OC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001591137910 991850379 /nfs/dbraw/zinc/85/03/79/991850379.db2.gz GPVILSOVMTUQPW-ZFWWWQNUSA-N -1 0 313.438 3.818 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001591143430 991870466 /nfs/dbraw/zinc/87/04/66/991870466.db2.gz RRBWXMYECIMTGS-XIRDDKMYSA-N -1 0 323.477 3.939 20 0 DHADRM C[C@@H](OCC(F)(F)F)c1noc(-c2cccc(Cl)c2[O-])n1 ZINC000896610753 1015671660 /nfs/dbraw/zinc/67/16/60/1015671660.db2.gz JKIRFKKYZAQZCL-ZCFIWIBFSA-N -1 0 322.670 3.736 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591205488 992028837 /nfs/dbraw/zinc/02/88/37/992028837.db2.gz ISMKAEWXOAEUJN-GFCCVEGCSA-N -1 0 324.446 3.557 20 0 DHADRM CC(C)C[C@@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001591210959 992049287 /nfs/dbraw/zinc/04/92/87/992049287.db2.gz JAIAGWULMJCCAX-JTQLQIEISA-N -1 0 316.323 3.671 20 0 DHADRM CN(CCC1CCCCC1)C(=O)NCCCCCCC(=O)[O-] ZINC001598472812 992053792 /nfs/dbraw/zinc/05/37/92/992053792.db2.gz 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311.381 3.518 20 0 DHADRM CCOc1cccc([C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000068844675 1021395560 /nfs/dbraw/zinc/39/55/60/1021395560.db2.gz ZRXNMGVZVIBFRG-NSHDSACASA-N -1 0 319.788 3.935 20 0 DHADRM CCCn1nccc1[N-]S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000589268942 1021416493 /nfs/dbraw/zinc/41/64/93/1021416493.db2.gz FVMFSLQSOOMYRV-CYBMUJFWSA-N -1 0 321.446 3.607 20 0 DHADRM O=C(Nc1cc(Cl)ccc1O)c1cc(Cl)nc(Cl)c1 ZINC000109091579 1021420905 /nfs/dbraw/zinc/42/09/05/1021420905.db2.gz VMKGUWYKZPHFEG-UHFFFAOYSA-N -1 0 317.559 4.000 20 0 DHADRM O=c1c2c([n-]n1-c1nc3ccc(Cl)cc3s1)CCCC2 ZINC000634595416 1021466977 /nfs/dbraw/zinc/46/69/77/1021466977.db2.gz AOTHFGDYJZXBNV-SECBINFHSA-N -1 0 305.790 3.843 20 0 DHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H](CCF)C1 ZINC000618681810 1021476455 /nfs/dbraw/zinc/47/64/55/1021476455.db2.gz LTWNINFQUMNGLD-SNVBAGLBSA-N -1 0 319.298 3.623 20 0 DHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H](CCF)C1 ZINC000618681809 1021476530 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CC(C)[C@H](NCc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000182648716 1021759989 /nfs/dbraw/zinc/75/99/89/1021759989.db2.gz MHACXOMFVBJEJB-ZDUSSCGKSA-N -1 0 313.825 3.502 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1C(=O)[O-] ZINC000320374004 1021768481 /nfs/dbraw/zinc/76/84/81/1021768481.db2.gz ZRWOEYRCMYQURD-ZLKJLUDKSA-N -1 0 303.402 3.556 20 0 DHADRM COC(=O)c1cc(C)sc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650355 1021790459 /nfs/dbraw/zinc/79/04/59/1021790459.db2.gz ZXWBFRXBXWOGSG-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM CC(C)CC(CC(C)C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595576 1021952574 /nfs/dbraw/zinc/95/25/74/1021952574.db2.gz OQJDARJOYQWNOZ-VURMDHGXSA-N -1 0 307.390 3.568 20 0 DHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCCC23CCCCC3)o1 ZINC000851610854 1021952746 /nfs/dbraw/zinc/95/27/46/1021952746.db2.gz YDSZOLITIABESS-SOIVGHGOSA-N -1 0 317.385 3.610 20 0 DHADRM CC(C)(C)NC(=O)Nc1ccc(Br)cc1[S-] ZINC001202482913 1021964347 /nfs/dbraw/zinc/96/43/47/1021964347.db2.gz 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DHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C2CC2)cc1 ZINC000416391290 1022298846 /nfs/dbraw/zinc/29/88/46/1022298846.db2.gz QESGSCCVSWGLPK-LBPRGKRZSA-N -1 0 303.402 3.632 20 0 DHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccccc1Cl ZINC000233326355 1022321644 /nfs/dbraw/zinc/32/16/44/1022321644.db2.gz SWSHMFDNFMGIQI-HNNXBMFYSA-N -1 0 310.781 3.591 20 0 DHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(F)c1[O-] ZINC001125886824 1022376455 /nfs/dbraw/zinc/37/64/55/1022376455.db2.gz KRRDXJFZNOUCTR-UHFFFAOYSA-N -1 0 307.287 3.582 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2cccc(SC(F)F)c2)c1 ZINC000183783194 1022386398 /nfs/dbraw/zinc/38/63/98/1022386398.db2.gz VSHLYTFMAWXBNS-UHFFFAOYSA-N -1 0 313.281 3.545 20 0 DHADRM O=c1cc(CNc2cc3ccccc3cc2Br)o[n-]1 ZINC001169485483 1022419088 /nfs/dbraw/zinc/41/90/88/1022419088.db2.gz OYRXZYDWJZJXMN-UHFFFAOYSA-N -1 0 319.158 3.908 20 0 DHADRM Cc1ccc(NCc2cc(=O)[n-]o2)cc1OCc1ccccc1 ZINC001169492874 1022432404 /nfs/dbraw/zinc/43/24/04/1022432404.db2.gz PJIICSIAXWEZKA-UHFFFAOYSA-N 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CCC[C@@](C)(NC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000314318911 1022579903 /nfs/dbraw/zinc/57/99/03/1022579903.db2.gz YHDUJDHLVNOCHQ-QGZVFWFLSA-N -1 0 300.358 3.605 20 0 DHADRM C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000364011634 1022583989 /nfs/dbraw/zinc/58/39/89/1022583989.db2.gz JBPOIXBOEDJECO-BXKDBHETSA-N -1 0 323.364 3.750 20 0 DHADRM Cc1cc(Nc2ccc(OC(F)(F)F)nc2)ccc1C(=O)[O-] ZINC001211653017 1022625021 /nfs/dbraw/zinc/62/50/21/1022625021.db2.gz WUBWEEODBANTGK-UHFFFAOYSA-N -1 0 312.247 3.730 20 0 DHADRM CCCc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000621248184 1022669867 /nfs/dbraw/zinc/66/98/67/1022669867.db2.gz XTSCRPMEOMRAPI-VIFPVBQESA-N -1 0 310.444 3.706 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(Cl)n1 ZINC000184048206 1022673390 /nfs/dbraw/zinc/67/33/90/1022673390.db2.gz ABBRVMQCFCYEFV-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM COC(=O)c1c(F)ccc(SC)c1-c1cccc(F)c1O ZINC001242353543 1022713859 /nfs/dbraw/zinc/71/38/59/1022713859.db2.gz 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Cc1ccc(-c2nc(CC(=O)[N-]OCCC3CC3)cs2)cc1 ZINC000817393454 1029144098 /nfs/dbraw/zinc/14/40/98/1029144098.db2.gz QLMRJGXRRRLGKY-UHFFFAOYSA-N -1 0 316.426 3.509 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(OCC(F)F)cc1 ZINC000569087433 1029176441 /nfs/dbraw/zinc/17/64/41/1029176441.db2.gz XEUAEMNDYGFVKS-UHFFFAOYSA-N -1 0 321.323 3.949 20 0 DHADRM CC(C)c1scnc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000569200155 1029193515 /nfs/dbraw/zinc/19/35/15/1029193515.db2.gz IAHMUANRFOGZBV-QWHCGFSZSA-N -1 0 322.455 3.564 20 0 DHADRM CC(C)(C(=O)[N-]OCC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000818078358 1029330366 /nfs/dbraw/zinc/33/03/66/1029330366.db2.gz WMKIVXPLVWOJBX-LBPRGKRZSA-N -1 0 316.228 3.596 20 0 DHADRM Cc1c(Cl)cc(NC(=O)NO[C@H]2CCCCO2)cc1Cl ZINC000155904903 1029331890 /nfs/dbraw/zinc/33/18/90/1029331890.db2.gz MSVJGLDZQPAOFO-LBPRGKRZSA-N -1 0 319.188 3.882 20 0 DHADRM CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000570292999 1029344551 /nfs/dbraw/zinc/34/45/51/1029344551.db2.gz VHIQWJVLPJANJS-UHFFFAOYSA-N 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ZWYZFQHEDJDUHW-OAHLLOKOSA-N -1 0 316.426 3.635 20 0 DHADRM [O-]c1cc(-c2ccccc2OC[C@@H]2CCOC2)cc(F)c1F ZINC000904757129 1035448326 /nfs/dbraw/zinc/44/83/26/1035448326.db2.gz FPLJBBFXQFPNAX-LLVKDONJSA-N -1 0 306.308 3.753 20 0 DHADRM CSc1ccc(NC(=O)C2CC3(CCC3)C2)cc1C(=O)[O-] ZINC000905044221 1035477096 /nfs/dbraw/zinc/47/70/96/1035477096.db2.gz QGDUZLIYUHSGDY-UHFFFAOYSA-N -1 0 305.399 3.626 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC000905055619 1035478799 /nfs/dbraw/zinc/47/87/99/1035478799.db2.gz HZQXHFUCHVYQEG-CYBMUJFWSA-N -1 0 320.433 3.995 20 0 DHADRM CSc1ccc(C)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000905117234 1035481014 /nfs/dbraw/zinc/48/10/14/1035481014.db2.gz FEFJWPCNAXJDGW-NEPJUHHUSA-N -1 0 307.415 3.546 20 0 DHADRM Cc1cccc([C@@H](NCc2ncc(C(C)(C)C)o2)C(=O)[O-])c1C ZINC000905394116 1035522893 /nfs/dbraw/zinc/52/28/93/1035522893.db2.gz FXSOGSPZKIFVRU-MRXNPFEDSA-N -1 0 316.401 3.504 20 0 DHADRM CCc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)o1 ZINC000485376288 1035573082 /nfs/dbraw/zinc/57/30/82/1035573082.db2.gz AYPLEXMZSLERMD-UHFFFAOYSA-N -1 0 303.358 3.940 20 0 DHADRM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000485396690 1035603169 /nfs/dbraw/zinc/60/31/69/1035603169.db2.gz YNQBOYNNETWNPG-UHFFFAOYSA-N -1 0 320.172 3.933 20 0 DHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485393481 1035604514 /nfs/dbraw/zinc/60/45/14/1035604514.db2.gz APNIAZPAVGKJJX-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM O=C([O-])c1ccc(CNc2cccc(OC3CCCC3)c2)nc1 ZINC000905717997 1035622941 /nfs/dbraw/zinc/62/29/41/1035622941.db2.gz AJAKZBBHBXFIIN-UHFFFAOYSA-N -1 0 312.369 3.713 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC2CC3(C2)COC(C)(C)C3)c1 ZINC000905717852 1035623553 /nfs/dbraw/zinc/62/35/53/1035623553.db2.gz FRWKYAATJDNJIL-QCGKTTIDSA-N -1 0 303.402 3.634 20 0 DHADRM CCO[P@@](C)(=O)CC[C@@H](C)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000905755466 1035645137 /nfs/dbraw/zinc/64/51/37/1035645137.db2.gz ULPGISLEBOVOTJ-XUSGNXJCSA-N -1 0 313.334 3.828 20 0 DHADRM CC(C)(C)Oc1cccc(NCc2cccc(C(=O)[O-])n2)c1 ZINC000905785575 1035665474 /nfs/dbraw/zinc/66/54/74/1035665474.db2.gz KEWWEMVEZSJADA-UHFFFAOYSA-N -1 0 300.358 3.569 20 0 DHADRM CC(C)C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001180438826 1035674169 /nfs/dbraw/zinc/67/41/69/1035674169.db2.gz OEHOMDNHSBLMLJ-INIZCTEOSA-N -1 0 317.429 3.925 20 0 DHADRM Cc1ccc2cccnc2c1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180438293 1035674264 /nfs/dbraw/zinc/67/42/64/1035674264.db2.gz LWIIXAJAISBJAR-UHFFFAOYSA-N -1 0 312.369 3.517 20 0 DHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000443453808 1035691998 /nfs/dbraw/zinc/69/19/98/1035691998.db2.gz MGNYYQARMLVDMM-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM Cc1cc(/C=C/c2cc(C(=O)[O-])ncn2)c(OC(F)F)cc1C ZINC000535594845 1035708570 /nfs/dbraw/zinc/70/85/70/1035708570.db2.gz HBMGSPNIIOFBIC-ONEGZZNKSA-N -1 0 320.295 3.563 20 0 DHADRM O=C([O-])c1cc(NC(=O)OCC2CC2)cc(Cl)c1Cl ZINC000905986515 1035720662 /nfs/dbraw/zinc/72/06/62/1035720662.db2.gz BPODXIRKSIMPJS-UHFFFAOYSA-N -1 0 304.129 3.650 20 0 DHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)[O-])c2cccs2)cc1 ZINC000462275414 1035730635 /nfs/dbraw/zinc/73/06/35/1035730635.db2.gz AXOAJUBKTURPGV-XHDPSFHLSA-N -1 0 317.410 3.552 20 0 DHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193832989 1035749794 /nfs/dbraw/zinc/74/97/94/1035749794.db2.gz GDTCFLDSSXDQSI-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000539599570 1035787121 /nfs/dbraw/zinc/78/71/21/1035787121.db2.gz RYTVBUPGHXXLLO-UHFFFAOYSA-N -1 0 324.471 3.502 20 0 DHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(O)c(F)c1F ZINC001180970966 1035799460 /nfs/dbraw/zinc/79/94/60/1035799460.db2.gz XVDMEHLAIQMBTD-SCZZXKLOSA-N -1 0 309.278 3.833 20 0 DHADRM CCCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000485659390 1035818435 /nfs/dbraw/zinc/81/84/35/1035818435.db2.gz GACSUBWLMFFFTG-UHFFFAOYSA-N -1 0 321.380 3.783 20 0 DHADRM CCCOC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001194130058 1035835931 /nfs/dbraw/zinc/83/59/31/1035835931.db2.gz APTMJEZMWLABLK-UHFFFAOYSA-N -1 0 308.559 3.767 20 0 DHADRM CCCCCCOC(=O)[N-]C1=NCC(=O)C=C1Br ZINC001194161806 1035855613 /nfs/dbraw/zinc/85/56/13/1035855613.db2.gz BUKFQINURABYMT-UHFFFAOYSA-N -1 0 317.183 3.679 20 0 DHADRM CC(C)n1cc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])n1 ZINC000906251955 1035863960 /nfs/dbraw/zinc/86/39/60/1035863960.db2.gz ZWPHOIZIORZYOZ-UHFFFAOYSA-N -1 0 314.263 3.728 20 0 DHADRM O=S(=O)([N-]c1cnsc1)c1ccc2c(Cl)cccc2c1 ZINC001194226159 1035883739 /nfs/dbraw/zinc/88/37/39/1035883739.db2.gz TXORACAYODPAOC-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM CCc1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1O ZINC000539876512 1035916330 /nfs/dbraw/zinc/91/63/30/1035916330.db2.gz QHXNEKLCRNVFFO-UHFFFAOYSA-N -1 0 315.335 3.759 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)no1 ZINC001194404284 1035922319 /nfs/dbraw/zinc/92/23/19/1035922319.db2.gz ODGCCSLKWTVPMF-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM Oc1ccc(CN2CC(Cc3ccccc3Cl)C2)c(F)c1F ZINC001181544642 1035934226 /nfs/dbraw/zinc/93/42/26/1035934226.db2.gz ULBVFQGEAVTPJO-UHFFFAOYSA-N -1 0 323.770 3.998 20 0 DHADRM O=C(Nc1ccccc1[S-])c1cc(F)ccc1N1CCCC1 ZINC001194467144 1035934415 /nfs/dbraw/zinc/93/44/15/1035934415.db2.gz DDCBXJAPZYFUOY-UHFFFAOYSA-N -1 0 316.401 3.967 20 0 DHADRM CCc1cccc(C)c1NS(=O)(=O)c1c(C)cccc1C ZINC001194638080 1035973288 /nfs/dbraw/zinc/97/32/88/1035973288.db2.gz HENIEFJNZYXSFE-UHFFFAOYSA-N -1 0 303.427 3.975 20 0 DHADRM Cc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1O ZINC000153184255 1036007967 /nfs/dbraw/zinc/00/79/67/1036007967.db2.gz CNSPSAWENWFTAH-UHFFFAOYSA-N -1 0 305.399 3.625 20 0 DHADRM CC[C@H](C)COC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001194805743 1036038207 /nfs/dbraw/zinc/03/82/07/1036038207.db2.gz VZSXVETUQYSXAP-ZETCQYMHSA-N -1 0 320.158 3.888 20 0 DHADRM CCc1ccc(CC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000485929681 1036041064 /nfs/dbraw/zinc/04/10/64/1036041064.db2.gz DTHJWWHQNVPRSY-UHFFFAOYSA-N -1 0 311.381 3.745 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1Cl ZINC000540506676 1036087047 /nfs/dbraw/zinc/08/70/47/1036087047.db2.gz REKZOOKVUOAZMH-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc3occc3c2)c1 ZINC001195120145 1036142574 /nfs/dbraw/zinc/14/25/74/1036142574.db2.gz CDJIYSGSGMSCML-UHFFFAOYSA-N -1 0 316.382 3.752 20 0 DHADRM Cc1cnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC001195119874 1036142761 /nfs/dbraw/zinc/14/27/61/1036142761.db2.gz CSDWVLPPFCXOKK-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000907145046 1036145617 /nfs/dbraw/zinc/14/56/17/1036145617.db2.gz MYRTULKJGKBCPZ-LLVKDONJSA-N -1 0 309.793 3.724 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC001195268595 1036198380 /nfs/dbraw/zinc/19/83/80/1036198380.db2.gz UPFHZOSZLUAKLP-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnccc1C1CC1 ZINC001195278841 1036201885 /nfs/dbraw/zinc/20/18/85/1036201885.db2.gz RVUQFZMLOLFWBT-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM COc1ccccc1OC(=O)Nc1ccc([S-])c(OC)c1 ZINC001195272327 1036202221 /nfs/dbraw/zinc/20/22/21/1036202221.db2.gz LVLLVRWLWCZMKT-UHFFFAOYSA-N -1 0 305.355 3.603 20 0 DHADRM COc1ccc([C@H](C)N(C)C(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775649618 1036226087 /nfs/dbraw/zinc/22/60/87/1036226087.db2.gz MIIDOUKGQKQYTK-NSHDSACASA-N -1 0 319.788 3.887 20 0 DHADRM Cc1cc(C)cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907555137 1036233549 /nfs/dbraw/zinc/23/35/49/1036233549.db2.gz QYJGXRVIAUXODJ-VQIMIIECSA-N -1 0 309.365 3.500 20 0 DHADRM CC1(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)CC1 ZINC000907755199 1036266808 /nfs/dbraw/zinc/26/68/08/1036266808.db2.gz QIKIVCXPGDDHHT-CYBMUJFWSA-N -1 0 309.793 3.552 20 0 DHADRM Cc1cc(-c2cccc(OCC(=O)[O-])c2)nc2cc(F)ccc12 ZINC000541259138 1036273136 /nfs/dbraw/zinc/27/31/36/1036273136.db2.gz FMGGXMNJBSAYQB-UHFFFAOYSA-N -1 0 311.312 3.813 20 0 DHADRM Cc1ccc(CN(C(=O)c2cccc(Cl)c2[O-])C2CC2)o1 ZINC000775661143 1036279806 /nfs/dbraw/zinc/27/98/06/1036279806.db2.gz JZYIDORQJCQFNL-UHFFFAOYSA-N -1 0 305.761 3.752 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1(C)C ZINC000914731006 1036280507 /nfs/dbraw/zinc/28/05/07/1036280507.db2.gz WFKLYSXPVYXLLX-KHWCHDCRSA-N -1 0 313.397 3.961 20 0 DHADRM CC1(C)CN(C(=O)c2s[n-]c(=O)c2Cl)[C@H]1c1ccccc1 ZINC000648747573 1036281152 /nfs/dbraw/zinc/28/11/52/1036281152.db2.gz NGOQJLUZIBDGNL-LBPRGKRZSA-N -1 0 322.817 3.725 20 0 DHADRM Oc1cccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1Cl ZINC000668628498 1036291492 /nfs/dbraw/zinc/29/14/92/1036291492.db2.gz YIJOAHPVVUVQEV-INIZCTEOSA-N -1 0 309.837 3.827 20 0 DHADRM CC(C)c1cncc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000907885651 1036296047 /nfs/dbraw/zinc/29/60/47/1036296047.db2.gz HXLWTBOKNXUQBR-UHFFFAOYSA-N -1 0 316.401 3.569 20 0 DHADRM CC(C)(CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)C1CCCCC1 ZINC000907962717 1036311904 /nfs/dbraw/zinc/31/19/04/1036311904.db2.gz ZJBVZQDJRQPTRF-LQKXBSAESA-N -1 0 321.461 3.599 20 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1036473188 /nfs/dbraw/zinc/47/31/88/1036473188.db2.gz OILQFYGGIFFOHA-UHFFFAOYSA-N -1 0 313.397 3.539 20 0 DHADRM Cc1cc(C)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1C ZINC000302774838 1036516657 /nfs/dbraw/zinc/51/66/57/1036516657.db2.gz MTIDXMVRZOCLPP-SNAWJCMRSA-N -1 0 312.325 3.784 20 0 DHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1sc2c(c1C)CCCC2 ZINC000908831193 1036521295 /nfs/dbraw/zinc/52/12/95/1036521295.db2.gz YSTLSLNJTHTTKP-UHFFFAOYSA-N -1 0 319.382 3.787 20 0 DHADRM Cc1cc(NC(=O)c2cc(Cl)ncc2[O-])cc2scnc21 ZINC001196396687 1036522021 /nfs/dbraw/zinc/52/20/21/1036522021.db2.gz MHVCLWANHSHKSS-UHFFFAOYSA-N -1 0 319.773 3.611 20 0 DHADRM CN(C(=O)c1cc(Cl)ncc1[O-])C(C)(C)Cc1ccccc1 ZINC001196396782 1036522668 /nfs/dbraw/zinc/52/26/68/1036522668.db2.gz WOJSXJXCLLXEKI-UHFFFAOYSA-N -1 0 318.804 3.534 20 0 DHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc2c(c1)CCCC2 ZINC001183142935 1036525957 /nfs/dbraw/zinc/52/59/57/1036525957.db2.gz KHRSZYVTQIVDQX-GFCCVEGCSA-N -1 0 313.372 3.901 20 0 DHADRM 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314.295 3.662 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)ccc1F ZINC000174013094 337140572 /nfs/dbraw/zinc/14/05/72/337140572.db2.gz PAOUWJIYBZUXRO-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(C2CCC2)cc1)C1CCC1 ZINC000582769854 337143520 /nfs/dbraw/zinc/14/35/20/337143520.db2.gz POXUSKWSRIUUTJ-LBPRGKRZSA-N -1 0 316.401 3.814 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179981726 337172995 /nfs/dbraw/zinc/17/29/95/337172995.db2.gz MMAINAGVHFFEPZ-GJZGRUSLSA-N -1 0 303.402 3.664 20 0 DHADRM CCCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183764008 337193434 /nfs/dbraw/zinc/19/34/34/337193434.db2.gz JRIWFVQIMIYPTR-UHFFFAOYSA-N -1 0 323.732 3.672 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1c1ccccc1 ZINC000184930122 337201754 /nfs/dbraw/zinc/20/17/54/337201754.db2.gz GGXAIAAFKFXNPE-ZDUSSCGKSA-N -1 0 321.298 3.787 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(C(F)F)CCCC1 ZINC000582898014 337212350 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3.814 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1C ZINC000237657718 337469084 /nfs/dbraw/zinc/46/90/84/337469084.db2.gz GSYWIGDHDPDNRP-CQSZACIVSA-N -1 0 313.353 3.572 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1 ZINC000237662751 337469090 /nfs/dbraw/zinc/46/90/90/337469090.db2.gz MLJJTUPKAQSYIY-HNNXBMFYSA-N -1 0 317.772 3.594 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237814485 337469422 /nfs/dbraw/zinc/46/94/22/337469422.db2.gz KIXLMRFULZTEID-HZPDHXFCSA-N -1 0 313.328 3.575 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3c2cccc3Cl)s1 ZINC000238038664 337469891 /nfs/dbraw/zinc/46/98/91/337469891.db2.gz TUVJOZNXFGGIHL-NSHDSACASA-N -1 0 321.785 3.517 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1 ZINC000238203485 337470063 /nfs/dbraw/zinc/47/00/63/337470063.db2.gz UKDCCXKQGUWKDV-DBEXCURXSA-N -1 0 323.392 3.812 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cccs2)c1 ZINC000238214181 337470100 /nfs/dbraw/zinc/47/01/00/337470100.db2.gz GFCNCDCVWQPLCJ-UHFFFAOYSA-N -1 0 321.423 3.708 20 0 DHADRM CC(C)[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(F)cc1 ZINC000572145873 337592074 /nfs/dbraw/zinc/59/20/74/337592074.db2.gz XBXIZOMZPGKRGG-SNVBAGLBSA-N -1 0 319.327 3.927 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000572318156 337606867 /nfs/dbraw/zinc/60/68/67/337606867.db2.gz FYGPULGFVIBDOF-JTQLQIEISA-N -1 0 310.781 3.508 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000572319091 337606898 /nfs/dbraw/zinc/60/68/98/337606898.db2.gz GKAZKTVHPJEUCF-BEFAXECRSA-N -1 0 319.445 3.752 20 0 DHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1coc2ccccc12 ZINC000262045166 337614678 /nfs/dbraw/zinc/61/46/78/337614678.db2.gz AWFPNSSZYAEKNI-ZFWWWQNUSA-N -1 0 315.369 3.586 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000262043844 337614680 /nfs/dbraw/zinc/61/46/80/337614680.db2.gz AQMDQXIXQYMIPF-SJCJKPOMSA-N -1 0 321.442 3.514 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000262051927 337614752 /nfs/dbraw/zinc/61/47/52/337614752.db2.gz FQGJUTAEWXNABR-UHFFFAOYSA-N -1 0 317.385 3.813 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262077786 337614840 /nfs/dbraw/zinc/61/48/40/337614840.db2.gz DRJDDVHWRPFXIU-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000262146989 337615533 /nfs/dbraw/zinc/61/55/33/337615533.db2.gz STJJLQCEKUFVPY-CYBMUJFWSA-N -1 0 323.408 3.544 20 0 DHADRM CCCCN(CC[C@@H](C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000572370188 337617525 /nfs/dbraw/zinc/61/75/25/337617525.db2.gz IBCJGIJQVQODQT-CQSZACIVSA-N -1 0 317.351 3.909 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 ZINC000262425856 337617556 /nfs/dbraw/zinc/61/75/56/337617556.db2.gz DIANBBMVNDFZKV-KRWDZBQOSA-N -1 0 323.392 3.717 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2cccc(SC(F)F)c2)CCC1 ZINC000262429872 337617670 /nfs/dbraw/zinc/61/76/70/337617670.db2.gz BNVUVQZBBMPAKS-UHFFFAOYSA-N -1 0 315.341 3.585 20 0 DHADRM CCC[C@@H](CCc1ccccc1)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262431265 337617704 /nfs/dbraw/zinc/61/77/04/337617704.db2.gz BRPIXRBKLIIGRW-INIZCTEOSA-N -1 0 317.429 3.549 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC(C)(C)C1 ZINC000262497942 337618677 /nfs/dbraw/zinc/61/86/77/337618677.db2.gz XTSKOCVIGGUZHE-QLFBSQMISA-N -1 0 321.461 3.552 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262518453 337618889 /nfs/dbraw/zinc/61/88/89/337618889.db2.gz NKBIACRIGHTMRU-GFCCVEGCSA-N -1 0 315.369 3.563 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262533573 337618987 /nfs/dbraw/zinc/61/89/87/337618987.db2.gz SXZLYRROFHYTQN-DOTOQJQBSA-N -1 0 317.429 3.578 20 0 DHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(C)c1 ZINC000262658279 337620241 /nfs/dbraw/zinc/62/02/41/337620241.db2.gz TUOGNEJSMCJNTK-UHFFFAOYSA-N -1 0 311.381 3.679 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262705419 337620752 /nfs/dbraw/zinc/62/07/52/337620752.db2.gz JHVZCWARUOPULR-BRWVUGGUSA-N -1 0 315.413 3.550 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262710385 337620811 /nfs/dbraw/zinc/62/08/11/337620811.db2.gz LMILGMUBEVXYMO-KBUPBQIOSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)[C@H](CC(=O)NC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000262851330 337622015 /nfs/dbraw/zinc/62/20/15/337622015.db2.gz HUZMBVLUQCXQEC-INIZCTEOSA-N -1 0 317.429 3.720 20 0 DHADRM COc1cc(NC(=O)[C@@H]2CCCC(C)(C)C2)ccc1C(=O)[O-] ZINC000262945637 337622559 /nfs/dbraw/zinc/62/25/59/337622559.db2.gz MMLYCCDIQRUODG-LLVKDONJSA-N -1 0 305.374 3.548 20 0 DHADRM CC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCCCC1 ZINC000262965634 337622685 /nfs/dbraw/zinc/62/26/85/337622685.db2.gz OWHNZAOEGWXCFV-INIZCTEOSA-N -1 0 315.413 3.558 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1 ZINC000263058175 337623746 /nfs/dbraw/zinc/62/37/46/337623746.db2.gz GFBFZRIHKYPNFD-GJZGRUSLSA-N -1 0 303.402 3.535 20 0 DHADRM CCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263200732 337625395 /nfs/dbraw/zinc/62/53/95/337625395.db2.gz YNSBRPYQUPPXBS-DYVFJYSZSA-N -1 0 313.397 3.908 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000263220366 337625560 /nfs/dbraw/zinc/62/55/60/337625560.db2.gz YOYPEBDZPCKSSM-WBMJQRKESA-N -1 0 317.429 3.662 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000263292813 337626254 /nfs/dbraw/zinc/62/62/54/337626254.db2.gz LVYVCAYJEFVAEP-UHFFFAOYSA-N -1 0 318.398 3.757 20 0 DHADRM CC(C)c1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000263338972 337626567 /nfs/dbraw/zinc/62/65/67/337626567.db2.gz RLORNSPDOIASJC-JTQLQIEISA-N -1 0 318.398 3.707 20 0 DHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)C[C@@H]1C=CCC1 ZINC000263400031 337627802 /nfs/dbraw/zinc/62/78/02/337627802.db2.gz IQGMYYAJYUKMEF-CVEARBPZSA-N -1 0 307.434 3.663 20 0 DHADRM CC(C)(C)C[C@H](NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263448119 337629415 /nfs/dbraw/zinc/62/94/15/337629415.db2.gz YPHUCSMXVUCZED-LBPRGKRZSA-N -1 0 303.324 3.842 20 0 DHADRM CCCCOc1cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000263449997 337629554 /nfs/dbraw/zinc/62/95/54/337629554.db2.gz AEONBTQDQCFWSW-UHFFFAOYSA-N -1 0 322.405 3.630 20 0 DHADRM C[C@@H](C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000263481241 337630319 /nfs/dbraw/zinc/63/03/19/337630319.db2.gz UQAWZMBSEACNLJ-DFBGVHRSSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1scc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000263549347 337631471 /nfs/dbraw/zinc/63/14/71/337631471.db2.gz VRCNDRCSPHTHEI-JSGCOSHPSA-N -1 0 309.431 3.518 20 0 DHADRM C[C@H](CCC1CC1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000263580989 337631730 /nfs/dbraw/zinc/63/17/30/337631730.db2.gz WOVBGWGXEGHCBV-NEPJUHHUSA-N -1 0 321.442 3.560 20 0 DHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000191361629 337678327 /nfs/dbraw/zinc/67/83/27/337678327.db2.gz GPGMRQHVKACGHW-CYBMUJFWSA-N -1 0 303.383 3.969 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000397128351 337739547 /nfs/dbraw/zinc/73/95/47/337739547.db2.gz XDUAKDOSIKSCDB-JKSUJKDBSA-N -1 0 311.337 3.528 20 0 DHADRM CCCOc1cccc(CNc2cc(C(=O)[O-])ccc2OC)c1 ZINC000106981698 337825245 /nfs/dbraw/zinc/82/52/45/337825245.db2.gz VYVAEZHCDGPJCA-UHFFFAOYSA-N -1 0 315.369 3.794 20 0 DHADRM C/C=C\c1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424392949 337829992 /nfs/dbraw/zinc/82/99/92/337829992.db2.gz VHUXNKLXEVZAJQ-WSNITJDQSA-N -1 0 304.390 3.588 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000424390207 337830052 /nfs/dbraw/zinc/83/00/52/337830052.db2.gz NATUNZHHIQSSMM-UHFFFAOYSA-N -1 0 312.797 3.579 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1cccc(F)c1F ZINC000120217762 337871653 /nfs/dbraw/zinc/87/16/53/337871653.db2.gz NVPMFSOALRQIRF-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM Cc1cc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)c(C)s1 ZINC000314882544 337972647 /nfs/dbraw/zinc/97/26/47/337972647.db2.gz HXIHPOCHYKCNFW-LBPRGKRZSA-N -1 0 323.458 3.967 20 0 DHADRM Cc1cc(NC(=O)CCSc2ccccc2)ccc1C(=O)[O-] ZINC000315287351 337984072 /nfs/dbraw/zinc/98/40/72/337984072.db2.gz HKECQYLIKLUTOD-UHFFFAOYSA-N -1 0 315.394 3.814 20 0 DHADRM CCCC[C@H](Sc1cc(C(F)(F)F)nc(C)n1)C(=O)[O-] ZINC000515869471 338000488 /nfs/dbraw/zinc/00/04/88/338000488.db2.gz DZXZONBTQRMZSD-QMMMGPOBSA-N -1 0 308.325 3.539 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1cccc2ccccc21 ZINC000516001657 338002324 /nfs/dbraw/zinc/00/23/24/338002324.db2.gz GNNQXYQFCNSSPZ-HRAATJIYSA-N -1 0 304.411 3.588 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@@]12C[C@@H]1CCC2)c1ccc2ccccc2c1 ZINC000516044530 338002928 /nfs/dbraw/zinc/00/29/28/338002928.db2.gz CHXGINZTDRSNES-ZWOKBUDYSA-N -1 0 323.392 3.662 20 0 DHADRM Clc1ccc2sc(CN=c3nc(C4CC4)[n-]s3)nc2c1 ZINC000426480867 338033369 /nfs/dbraw/zinc/03/33/69/338033369.db2.gz WVKHNUMMHRGNNL-UHFFFAOYSA-N -1 0 322.846 3.713 20 0 DHADRM O=C([O-])c1ccc(CNCc2ncc(-c3ccccc3)s2)cc1 ZINC000426695716 338038341 /nfs/dbraw/zinc/03/83/41/338038341.db2.gz KUFSCARBHKUUKW-UHFFFAOYSA-N -1 0 324.405 3.798 20 0 DHADRM Cc1cc(C)cc([C@@H]([NH2+]Cc2cccc3cccnc32)C(=O)[O-])c1 ZINC000426763278 338041262 /nfs/dbraw/zinc/04/12/62/338041262.db2.gz RMTSRZJYOSJWAG-LJQANCHMSA-N -1 0 320.392 3.767 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)s1 ZINC000431180424 338125095 /nfs/dbraw/zinc/12/50/95/338125095.db2.gz HDZLUJZJJMJCCO-UHFFFAOYSA-N -1 0 321.345 3.583 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431465587 338131292 /nfs/dbraw/zinc/13/12/92/338131292.db2.gz OYXQRMUQHKOZLB-MRXNPFEDSA-N -1 0 321.398 3.690 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC000431808065 338139190 /nfs/dbraw/zinc/13/91/90/338139190.db2.gz JMVPUOSQOFVBPM-WKILWMFISA-N -1 0 317.429 3.506 20 0 DHADRM O=C([O-])[C@H](NC(=O)CC1=CCCCC1)c1ccc2ccccc2c1 ZINC000431860243 338140494 /nfs/dbraw/zinc/14/04/94/338140494.db2.gz PWMBIHWPBUXMMW-LJQANCHMSA-N -1 0 323.392 3.972 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1)C(=O)[O-] ZINC000431979615 338143060 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/nfs/dbraw/zinc/23/91/36/341239136.db2.gz IGELGLGSHHUPOS-INIZCTEOSA-N -1 0 312.369 3.740 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000564335537 341240693 /nfs/dbraw/zinc/24/06/93/341240693.db2.gz OEZMJAPJZIXUHI-OUCADQQQSA-N -1 0 317.385 3.542 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000135819655 341246545 /nfs/dbraw/zinc/24/65/45/341246545.db2.gz XYJPENHPAUFQRP-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM COc1cc(C)ccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000548376751 341257648 /nfs/dbraw/zinc/25/76/48/341257648.db2.gz GJJFZJJMTPUFGE-UHFFFAOYSA-N -1 0 309.724 3.754 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc(C)c1F ZINC000548477558 341262857 /nfs/dbraw/zinc/26/28/57/341262857.db2.gz RUEQKXSJMRUBMJ-UHFFFAOYSA-N -1 0 318.373 3.725 20 0 DHADRM Cc1ccccc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000548611774 341267050 /nfs/dbraw/zinc/26/70/50/341267050.db2.gz ORMSIYYCJUDBFD-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c(Cl)c1 ZINC000080716536 341274612 /nfs/dbraw/zinc/27/46/12/341274612.db2.gz LFISOZPMKSVSNS-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM O=C(c1cc(F)ccc1O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000081958732 341311507 /nfs/dbraw/zinc/31/15/07/341311507.db2.gz ZUFJUTRAUIWBEJ-OAHLLOKOSA-N -1 0 313.372 3.941 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000550832640 341324022 /nfs/dbraw/zinc/32/40/22/341324022.db2.gz YUCMTOQGXSFMOV-UHFFFAOYSA-N -1 0 310.444 3.550 20 0 DHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)n1 ZINC000551017261 341329361 /nfs/dbraw/zinc/32/93/61/341329361.db2.gz GGYFRYVKSGPKNQ-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1(c2ccccc2F)CC1 ZINC000554025245 341440849 /nfs/dbraw/zinc/44/08/49/341440849.db2.gz RDUYABKBPNIPED-UHFFFAOYSA-N -1 0 323.726 3.994 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1Cl ZINC000556265075 341500037 /nfs/dbraw/zinc/50/00/37/341500037.db2.gz QPIVGPCTVARKCE-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM 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CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(C2CCC2)cc1)C1CC1 ZINC000575999772 341819245 /nfs/dbraw/zinc/81/92/45/341819245.db2.gz XIFGFVXRLQJXDV-INIZCTEOSA-N -1 0 316.401 3.814 20 0 DHADRM Cc1cc(CN(Cc2ccccc2)CC(F)F)oc1C(=O)[O-] ZINC000577226060 341898803 /nfs/dbraw/zinc/89/88/03/341898803.db2.gz AJRKBLLVQSJFHC-UHFFFAOYSA-N -1 0 309.312 3.554 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3sccc3c2)c1 ZINC000345744819 341901509 /nfs/dbraw/zinc/90/15/09/341901509.db2.gz HPMNVMNSAORUNM-UHFFFAOYSA-N -1 0 311.362 3.781 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000577282507 341902386 /nfs/dbraw/zinc/90/23/86/341902386.db2.gz LKIVXGYTGUQQNM-ZJUUUORDSA-N -1 0 323.801 3.538 20 0 DHADRM COCCc1ccc(-c2cc(C)ccc2OCCC(=O)[O-])cc1 ZINC000577411718 341908699 /nfs/dbraw/zinc/90/86/99/341908699.db2.gz KVTHXUGGNXYAEM-UHFFFAOYSA-N -1 0 314.381 3.704 20 0 DHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)CCCCC(=O)[O-] ZINC000577868126 341945102 /nfs/dbraw/zinc/94/51/02/341945102.db2.gz UMUOVIHAJDNDQK-UHFFFAOYSA-N -1 0 312.797 3.744 20 0 DHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CC(C)(C)C(=O)[O-] ZINC000577980680 341962907 /nfs/dbraw/zinc/96/29/07/341962907.db2.gz SJOQBCJIGMNYRH-CQSZACIVSA-N -1 0 317.429 3.877 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C(F)(F)F ZINC000263080032 518188486 /nfs/dbraw/zinc/18/84/86/518188486.db2.gz GUTSDFARSQQUIZ-UHFFFAOYSA-N -1 0 303.280 3.610 20 0 DHADRM CC(C)[C@H](C(=O)[N-]OCc1cccnc1)c1cccc(Cl)c1 ZINC000155813157 519809751 /nfs/dbraw/zinc/80/97/51/519809751.db2.gz PWQPYANRVIXXIF-INIZCTEOSA-N -1 0 318.804 3.723 20 0 DHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000184207582 520853131 /nfs/dbraw/zinc/85/31/31/520853131.db2.gz HTGQAESXFJDJSD-CMPLNLGQSA-N -1 0 320.414 3.650 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191420967 520965266 /nfs/dbraw/zinc/96/52/66/520965266.db2.gz MURJYHGVDYFLBQ-OLZOCXBDSA-N -1 0 323.458 3.810 20 0 DHADRM CCC(CC)(CNC(=O)c1ccccc1SC(C)C)C(=O)[O-] ZINC000236883738 521436843 /nfs/dbraw/zinc/43/68/43/521436843.db2.gz PSVTVSMODUQFAR-UHFFFAOYSA-N -1 0 323.458 3.808 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)C(C)C ZINC000236903944 521720783 /nfs/dbraw/zinc/72/07/83/521720783.db2.gz LEPHHPYQQMHKDE-JOZWUWCOSA-N -1 0 307.415 3.501 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000337696070 522125974 /nfs/dbraw/zinc/12/59/74/522125974.db2.gz YDJJFBGYKRKNIW-NVXWUHKLSA-N -1 0 317.429 3.925 20 0 DHADRM CC[C@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000237052667 523084337 /nfs/dbraw/zinc/08/43/37/523084337.db2.gz LIAMQFMJQQUPRQ-OLZOCXBDSA-N -1 0 321.442 3.514 20 0 DHADRM COCCCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127665122 523085142 /nfs/dbraw/zinc/08/51/42/523085142.db2.gz MVMPYUXTWFXPAY-UHFFFAOYSA-N -1 0 312.580 3.718 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NCCCCCC(=O)[O-])cc1 ZINC000236995420 524043334 /nfs/dbraw/zinc/04/33/34/524043334.db2.gz BIRQVMGLDLLDMH-CQSZACIVSA-N -1 0 305.418 3.504 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1cccs1 ZINC000262511875 524245324 /nfs/dbraw/zinc/24/53/24/524245324.db2.gz MHVWOFSEHLRLDV-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccs1 ZINC000262471794 524251518 /nfs/dbraw/zinc/25/15/18/524251518.db2.gz JMFDTFAHTMRXLJ-LLVKDONJSA-N -1 0 317.410 3.853 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H](c2ccco2)C1 ZINC000237704577 524267238 /nfs/dbraw/zinc/26/72/38/524267238.db2.gz ITIRVQRFFYRNBM-QWRGUYRKSA-N -1 0 319.382 3.653 20 0 DHADRM Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)s1 ZINC000179980630 524357363 /nfs/dbraw/zinc/35/73/63/524357363.db2.gz RJZPSOMKCMZEFX-ZIAGYGMSSA-N -1 0 323.458 3.685 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCc1csc2ccccc12 ZINC000237501330 524441010 /nfs/dbraw/zinc/44/10/10/524441010.db2.gz YWSSWYZWWQTMQE-LBPRGKRZSA-N -1 0 319.426 3.594 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000237791321 524848652 /nfs/dbraw/zinc/84/86/52/524848652.db2.gz 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SWFNZBKLBGFHLA-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000253135816 600287499 /nfs/dbraw/zinc/28/74/99/600287499.db2.gz ROYDJBJXOCMKAY-OTCDBFHCSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736548710 600289437 /nfs/dbraw/zinc/28/94/37/600289437.db2.gz OINUTVAGHXXMRW-ZDUSSCGKSA-N -1 0 312.369 3.587 20 0 DHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000739217337 600321934 /nfs/dbraw/zinc/32/19/34/600321934.db2.gz YTWBWEJLCZLQOO-ZNFPLGDCSA-N -1 0 316.740 3.722 20 0 DHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736672524 600327081 /nfs/dbraw/zinc/32/70/81/600327081.db2.gz QOEGFGSRNLITLL-JTQLQIEISA-N -1 0 306.312 3.906 20 0 DHADRM O=C([O-])c1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)o1 ZINC000652435555 600337873 /nfs/dbraw/zinc/33/78/73/600337873.db2.gz QHJGYJHMJWKQQD-UHFFFAOYSA-N -1 0 317.360 3.572 20 0 DHADRM O=C([O-])Cc1ccc(OC(=O)CC/C=C\c2ccccc2)cc1 ZINC000739885431 600367442 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ZINC000738442176 600393846 /nfs/dbraw/zinc/39/38/46/600393846.db2.gz NSOFMWFWKPBLKO-YVEFUNNKSA-N -1 0 324.380 3.748 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000736868822 600398901 /nfs/dbraw/zinc/39/89/01/600398901.db2.gz BKACDGJSXWZDBG-DEYYWGMASA-N -1 0 319.445 3.919 20 0 DHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736471070 600401171 /nfs/dbraw/zinc/40/11/71/600401171.db2.gz FKPQJFWDBCMIHV-UHFFFAOYSA-N -1 0 320.320 3.559 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736904033 600403060 /nfs/dbraw/zinc/40/30/60/600403060.db2.gz GAPHUTWPBKNZOX-OAHLLOKOSA-N -1 0 304.386 3.826 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000736905402 600403115 /nfs/dbraw/zinc/40/31/15/600403115.db2.gz QSGKMBBBLONURG-CYBMUJFWSA-N -1 0 320.385 3.905 20 0 DHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736158615 600416353 /nfs/dbraw/zinc/41/63/53/600416353.db2.gz ACWXQLNDVGKXOA-OAHLLOKOSA-N -1 0 318.760 3.536 20 0 DHADRM Cc1nc2ccc(N[C@H](C(=O)[O-])c3ccc(F)cc3)cc2s1 ZINC000738874945 600417522 /nfs/dbraw/zinc/41/75/22/600417522.db2.gz MMYNPJTZNRQANG-HNNXBMFYSA-N -1 0 316.357 3.982 20 0 DHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000739888042 600422293 /nfs/dbraw/zinc/42/22/93/600422293.db2.gz ICZGDEFCKWNCFZ-UHFFFAOYSA-N -1 0 321.332 3.528 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013677454 600425795 /nfs/dbraw/zinc/42/57/95/600425795.db2.gz NMVOUGNPVVJWHF-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC000736755682 600429686 /nfs/dbraw/zinc/42/96/86/600429686.db2.gz ORLROTKVOMHJTP-NEPJUHHUSA-N -1 0 304.390 3.571 20 0 DHADRM CSCc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738195583 600433324 /nfs/dbraw/zinc/43/33/24/600433324.db2.gz YIFIAKNHJLBDFS-HNNXBMFYSA-N -1 0 305.374 3.927 20 0 DHADRM O=C([O-])c1ccnc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000321915862 600433608 /nfs/dbraw/zinc/43/36/08/600433608.db2.gz 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/nfs/dbraw/zinc/45/19/87/600451987.db2.gz PDANLNUNSDFENA-UHFFFAOYSA-N -1 0 307.371 3.898 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736778394 600453755 /nfs/dbraw/zinc/45/37/55/600453755.db2.gz FWTFBOWQAMCSGZ-PVXIVEMSSA-N -1 0 308.349 3.711 20 0 DHADRM O=C([O-])c1sccc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000740290425 600455773 /nfs/dbraw/zinc/45/57/73/600455773.db2.gz RWFAGIBHCYXDFB-UHFFFAOYSA-N -1 0 308.403 3.634 20 0 DHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000740298287 600457902 /nfs/dbraw/zinc/45/79/02/600457902.db2.gz JPGABOGBRNPWAN-HNNXBMFYSA-N -1 0 314.268 3.555 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CC/C=C\c1ccccc1 ZINC000738964951 600466226 /nfs/dbraw/zinc/46/62/26/600466226.db2.gz ZPCGRTCGAWYWSP-UITAMQMPSA-N -1 0 314.337 3.823 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)OCc2occc2C(=O)[O-])cc1 ZINC000737256306 600466624 /nfs/dbraw/zinc/46/66/24/600466624.db2.gz GLPTZCCKTSAWMB-GFCCVEGCSA-N -1 0 316.353 3.777 20 0 DHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000315255907 600475219 /nfs/dbraw/zinc/47/52/19/600475219.db2.gz LDPIGBFEFQQVMX-SNVBAGLBSA-N -1 0 318.398 3.507 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736903737 600477267 /nfs/dbraw/zinc/47/72/67/600477267.db2.gz LOEXRKNTCCABBI-OAHLLOKOSA-N -1 0 323.392 3.543 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736904701 600477283 /nfs/dbraw/zinc/47/72/83/600477283.db2.gz XYVSTGDYELXPNM-ZDUSSCGKSA-N -1 0 315.344 3.731 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237350791 600477990 /nfs/dbraw/zinc/47/79/90/600477990.db2.gz VNVUANDLZQLVPY-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000736903082 600478823 /nfs/dbraw/zinc/47/88/23/600478823.db2.gz GOLYVVWBOPPMLS-LBPRGKRZSA-N -1 0 303.383 3.654 20 0 DHADRM CCCc1nc(CN[C@@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737050510 600505854 /nfs/dbraw/zinc/50/58/54/600505854.db2.gz NEJFCONRAHAKJR-QGZVFWFLSA-N -1 0 318.442 3.575 20 0 DHADRM CC1(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC000045047537 600508917 /nfs/dbraw/zinc/50/89/17/600508917.db2.gz GBNXRPOQRZJJQL-UHFFFAOYSA-N -1 0 310.781 3.883 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000048813994 600510163 /nfs/dbraw/zinc/51/01/63/600510163.db2.gz JKQQZZVRGVDRQB-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM C[C@H](OC(=O)[C@H](C)c1cccs1)c1ccc(C(=O)[O-])cc1 ZINC000736222270 600510350 /nfs/dbraw/zinc/51/03/50/600510350.db2.gz BAOIJKVMYKAUQR-MNOVXSKESA-N -1 0 304.367 3.854 20 0 DHADRM C[C@@H](C(=O)Oc1cc(Cl)ccc1C(=O)[O-])c1ccsc1 ZINC000736225510 600510483 /nfs/dbraw/zinc/51/04/83/600510483.db2.gz XKTNSOUZDRNADR-MRVPVSSYSA-N -1 0 310.758 3.809 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1Cl ZINC000740146837 600511286 /nfs/dbraw/zinc/51/12/86/600511286.db2.gz HDSRBUAMQOFKAX-AWEZNQCLSA-N -1 0 322.792 3.835 20 0 DHADRM CSCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000738190092 600521861 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ZINC000479582390 600526391 /nfs/dbraw/zinc/52/63/91/600526391.db2.gz WSUKCSIWDCIFAB-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738689718 600528067 /nfs/dbraw/zinc/52/80/67/600528067.db2.gz FURCJVHNGNCOGI-ZDUSSCGKSA-N -1 0 312.369 3.505 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000736298860 600530284 /nfs/dbraw/zinc/53/02/84/600530284.db2.gz VKLQQQOFDJIYRW-INIZCTEOSA-N -1 0 319.445 3.532 20 0 DHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000314238150 600533860 /nfs/dbraw/zinc/53/38/60/600533860.db2.gz FBDMAWYYZXMYIK-CYBMUJFWSA-N -1 0 323.776 3.624 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000236719304 600538443 /nfs/dbraw/zinc/53/84/43/600538443.db2.gz MUMQZGFPIDILGI-OAHLLOKOSA-N -1 0 317.410 3.916 20 0 DHADRM CCc1ccc([C@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737259074 600566327 /nfs/dbraw/zinc/56/63/27/600566327.db2.gz MCYIGMZPLLMCFY-LBPRGKRZSA-N -1 0 312.369 3.830 20 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PIUORGDUMIFVAJ-AWEZNQCLSA-N -1 0 310.415 3.596 20 0 DHADRM CC(C)[C@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019154 600577901 /nfs/dbraw/zinc/57/79/01/600577901.db2.gz URULNDSXCPCYAD-JTQLQIEISA-N -1 0 305.399 3.508 20 0 DHADRM COc1c(C)cnc(CSCc2cccc(C(=O)[O-])c2)c1C ZINC000737839478 600580977 /nfs/dbraw/zinc/58/09/77/600580977.db2.gz IGVNHHQXZLEYIH-UHFFFAOYSA-N -1 0 317.410 3.839 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1cc(Br)ccc1F ZINC000085157574 600582457 /nfs/dbraw/zinc/58/24/57/600582457.db2.gz XGMNGMMXRUQLMN-SSDOTTSWSA-N -1 0 307.184 3.685 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=S)Nc2ccccc2)c1 ZINC000740071883 600583339 /nfs/dbraw/zinc/58/33/39/600583339.db2.gz FODJXLKKNNOCFT-UHFFFAOYSA-N -1 0 306.774 3.847 20 0 DHADRM CSCCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000738191967 600583891 /nfs/dbraw/zinc/58/38/91/600583891.db2.gz QYHZZAXENFBKKK-UHFFFAOYSA-N -1 0 304.367 3.587 20 0 DHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000736549981 600586030 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CC(C)c1ccc(-c2noc(CS[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000736556650 600594968 /nfs/dbraw/zinc/59/49/68/600594968.db2.gz NGWGPKPEQRVWKF-NSHDSACASA-N -1 0 320.414 3.956 20 0 DHADRM Cc1cc(-c2noc([C@@H](C)SC[C@H](C)C(=O)[O-])n2)ccc1F ZINC000738314906 600595852 /nfs/dbraw/zinc/59/58/52/600595852.db2.gz VRNWCBHPFPYKOY-VHSXEESVSA-N -1 0 324.377 3.699 20 0 DHADRM C[C@@H](CSCCOc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000086109401 600598698 /nfs/dbraw/zinc/59/86/98/600598698.db2.gz BRRIPVGZUYOESK-QMMMGPOBSA-N -1 0 309.214 3.826 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000738690410 600600431 /nfs/dbraw/zinc/60/04/31/600600431.db2.gz JIPBXTIMSWNMET-CHWSQXEVSA-N -1 0 323.458 3.899 20 0 DHADRM CC[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000736920614 600607350 /nfs/dbraw/zinc/60/73/50/600607350.db2.gz WPLNBEVGLOCQCO-LBPRGKRZSA-N -1 0 320.439 3.884 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000737330686 600608702 /nfs/dbraw/zinc/60/87/02/600608702.db2.gz FKJWQMGPEBTOKZ-CQSZACIVSA-N -1 0 324.380 3.859 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000737330680 600608796 /nfs/dbraw/zinc/60/87/96/600608796.db2.gz FKJWQMGPEBTOKZ-AWEZNQCLSA-N -1 0 324.380 3.859 20 0 DHADRM C[C@@H]1CCC[C@@H](CCNC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736775802 600610684 /nfs/dbraw/zinc/61/06/84/600610684.db2.gz ROPAFAPTUMTWLL-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM CCC[C@@H](C)N(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000736964360 600610816 /nfs/dbraw/zinc/61/08/16/600610816.db2.gz DBERXZDAOJYPJU-MRVPVSSYSA-N -1 0 307.419 3.631 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262016121 600617975 /nfs/dbraw/zinc/61/79/75/600617975.db2.gz FUKDMSDCCLVYCO-HWOWSKLDSA-N -1 0 309.450 3.743 20 0 DHADRM Cc1ccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000147498886 600619408 /nfs/dbraw/zinc/61/94/08/600619408.db2.gz BGVWAAQMCGMGAF-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC000178247836 600620468 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CCC[C@H](CC1CCCCC1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237023166 600628061 /nfs/dbraw/zinc/62/80/61/600628061.db2.gz HCRZVGNKYGYXGH-MRXNPFEDSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cc(OCCCOc2ccc(F)cc2)c(C(=O)[O-])s1 ZINC000070428845 600638543 /nfs/dbraw/zinc/63/85/43/600638543.db2.gz WRTDHQZSKDUSEU-UHFFFAOYSA-N -1 0 310.346 3.742 20 0 DHADRM Cc1cc(OCc2cc(-c3ccco3)on2)c(C(=O)[O-])s1 ZINC000070428747 600638676 /nfs/dbraw/zinc/63/86/76/600638676.db2.gz IXANSMDYUJYEQP-UHFFFAOYSA-N -1 0 305.311 3.582 20 0 DHADRM Cc1cc(OCc2cccc(OC(F)F)c2)c(C(=O)[O-])s1 ZINC000738473726 600639943 /nfs/dbraw/zinc/63/99/43/600639943.db2.gz GDKSDDKMIXRSNL-UHFFFAOYSA-N -1 0 314.309 3.935 20 0 DHADRM CCN(C(=O)C[C@H]1CCC[C@@H](C)C1)c1ccccc1C(=O)[O-] ZINC000737052535 600646849 /nfs/dbraw/zinc/64/68/49/600646849.db2.gz KBZLDPSCJVTDHK-KGLIPLIRSA-N -1 0 303.402 3.954 20 0 DHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183966373 600667358 /nfs/dbraw/zinc/66/73/58/600667358.db2.gz 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O=C([O-])c1cccc(-c2noc(-c3ccc4ncsc4c3)n2)c1 ZINC000833326997 600697990 /nfs/dbraw/zinc/69/79/90/600697990.db2.gz ZEXLLLRDVOUPRX-UHFFFAOYSA-N -1 0 323.333 3.712 20 0 DHADRM Cc1[nH]c(C(=O)N2CCCCC[C@@H]2CC(C)C)c(C)c1C(=O)[O-] ZINC000738237491 600701502 /nfs/dbraw/zinc/70/15/02/600701502.db2.gz YIBZAROMHQSMGT-CQSZACIVSA-N -1 0 320.433 3.761 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000833285475 600703378 /nfs/dbraw/zinc/70/33/78/600703378.db2.gz GQDKGPQTWDXWOB-LPHOPBHVSA-N -1 0 322.364 3.619 20 0 DHADRM COc1cc(NCc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl ZINC000076271741 600709412 /nfs/dbraw/zinc/70/94/12/600709412.db2.gz LBQQNEZZBYUASG-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM Cc1nc2ccc(N[C@H](C(=O)[O-])c3ccccc3F)cc2s1 ZINC000833006801 600732761 /nfs/dbraw/zinc/73/27/61/600732761.db2.gz VRFIKUDPECBBOV-HNNXBMFYSA-N -1 0 316.357 3.982 20 0 DHADRM CC(C)C[C@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736402212 600738819 /nfs/dbraw/zinc/73/88/19/600738819.db2.gz 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601089207 /nfs/dbraw/zinc/08/92/07/601089207.db2.gz QXFSFJWEETVNJA-BSWAZPDLSA-N -1 0 321.461 3.695 20 0 DHADRM CCC(C)(C)CC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828609352 601089312 /nfs/dbraw/zinc/08/93/12/601089312.db2.gz QDMURQNCKBZCEP-HUUCEWRRSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000321101912 601094172 /nfs/dbraw/zinc/09/41/72/601094172.db2.gz CUGKPFJWWQZNIZ-GFCCVEGCSA-N -1 0 318.417 3.749 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C)CC2)cc1 ZINC000390857658 601094339 /nfs/dbraw/zinc/09/43/39/601094339.db2.gz GTUYYPNHDSGRCV-UHFFFAOYSA-N -1 0 318.417 3.703 20 0 DHADRM CCc1nc(NC(=O)Nc2cccc(NC(=O)[O-])c2)sc1C ZINC000830318393 601102093 /nfs/dbraw/zinc/10/20/93/601102093.db2.gz OHHWGSBCJLHVQU-UHFFFAOYSA-N -1 0 320.374 3.748 20 0 DHADRM CCc1[nH]c(C(=O)Nc2cccc(C)c2Cl)c(C)c1C(=O)[O-] ZINC000830202513 601108475 /nfs/dbraw/zinc/10/84/75/601108475.db2.gz MNOVDJQFTKJNKO-UHFFFAOYSA-N -1 0 320.776 3.798 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)s1 ZINC000833119695 601126832 /nfs/dbraw/zinc/12/68/32/601126832.db2.gz FYAGGFJEGSXEEV-UHFFFAOYSA-N -1 0 319.313 3.513 20 0 DHADRM Cc1cc(NC(=O)N2Cc3ccccc3[C@@H]2C)ccc1C(=O)[O-] ZINC000832895761 601133103 /nfs/dbraw/zinc/13/31/03/601133103.db2.gz QDAAWLZMYQPKRX-LBPRGKRZSA-N -1 0 310.353 3.802 20 0 DHADRM Cc1ccc(NC(=O)N2CCC(C(C)C)CC2)cc1C(=O)[O-] ZINC000389347191 601137604 /nfs/dbraw/zinc/13/76/04/601137604.db2.gz SHNNXIYYIBZXJV-UHFFFAOYSA-N -1 0 304.390 3.593 20 0 DHADRM CCCc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000829566332 601141351 /nfs/dbraw/zinc/14/13/51/601141351.db2.gz IOALZHUSUKCQAK-UHFFFAOYSA-N -1 0 315.344 3.510 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2cccc(Cl)c2Cl)C1 ZINC000833187368 601145799 /nfs/dbraw/zinc/14/57/99/601145799.db2.gz PLYFHBAIXFFOPV-IUCAKERBSA-N -1 0 317.168 3.790 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCc3cccc(Cl)c32)C1 ZINC000833186788 601153555 /nfs/dbraw/zinc/15/35/55/601153555.db2.gz VJZVKEAYOVHDRW-CHWSQXEVSA-N -1 0 321.804 3.510 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(c2ccccc2)C2CCCC2)C1 ZINC000833184187 601155621 /nfs/dbraw/zinc/15/56/21/601155621.db2.gz DTDUPAGEMHURAB-GJZGRUSLSA-N -1 0 315.413 3.853 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000262119576 601160621 /nfs/dbraw/zinc/16/06/21/601160621.db2.gz PHTVAIRQYPFRIA-UHFFFAOYSA-N -1 0 321.417 3.627 20 0 DHADRM C/C(=C/CN1C[C@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736048 601166672 /nfs/dbraw/zinc/16/66/72/601166672.db2.gz USFULRJDOJTENX-LDCOFTPGSA-N -1 0 323.820 3.523 20 0 DHADRM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000828516592 601173926 /nfs/dbraw/zinc/17/39/26/601173926.db2.gz NYXNESHCCJWJLZ-NSHDSACASA-N -1 0 313.378 3.526 20 0 DHADRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000827703573 601184791 /nfs/dbraw/zinc/18/47/91/601184791.db2.gz OZWFWSRRSNOWMP-CHWSQXEVSA-N -1 0 312.369 3.699 20 0 DHADRM Cc1ccc2oc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2c1 ZINC000321616686 601187152 /nfs/dbraw/zinc/18/71/52/601187152.db2.gz NHHDMUMRPZUFFV-UHFFFAOYSA-N -1 0 315.369 3.649 20 0 DHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000830157773 601190858 /nfs/dbraw/zinc/19/08/58/601190858.db2.gz NPJIWIKHPGTOHX-UONOGXRCSA-N -1 0 322.430 3.571 20 0 DHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000830157242 601190869 /nfs/dbraw/zinc/19/08/69/601190869.db2.gz GOSFCZSDNXUXGS-UONOGXRCSA-N -1 0 322.430 3.571 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000314389374 601206798 /nfs/dbraw/zinc/20/67/98/601206798.db2.gz AUBSUDMVEQAWTH-MNOVXSKESA-N -1 0 306.749 3.748 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000833187362 601207892 /nfs/dbraw/zinc/20/78/92/601207892.db2.gz PJZNYFGHKGPKMJ-CABCVRRESA-N -1 0 314.385 3.603 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCC(C)(C)C)c1ccccc1 ZINC000237735252 601244269 /nfs/dbraw/zinc/24/42/69/601244269.db2.gz OFVALPOTJYPSBX-CJNGLKHVSA-N -1 0 305.418 3.781 20 0 DHADRM COc1ccc(Cl)cc1CNc1ccc(F)c(C(=O)[O-])c1 ZINC000038051569 601246107 /nfs/dbraw/zinc/24/61/07/601246107.db2.gz XNOBRTTUJXWFMP-UHFFFAOYSA-N -1 0 309.724 3.798 20 0 DHADRM COc1ccc(C)cc1CNc1cc(C(=O)[O-])c(F)cc1F ZINC000387730557 601246766 /nfs/dbraw/zinc/24/67/66/601246766.db2.gz PCIBIUXZQGTTGI-UHFFFAOYSA-N -1 0 307.296 3.592 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832947556 601247399 /nfs/dbraw/zinc/24/73/99/601247399.db2.gz RMZNAOQZTQTGMH-BBRMVZONSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832947558 601247409 /nfs/dbraw/zinc/24/74/09/601247409.db2.gz RMZNAOQZTQTGMH-CZUORRHYSA-N -1 0 312.369 3.579 20 0 DHADRM O=C([O-])c1sc(N2CCC[C@H]2c2ccccc2)nc1Cl ZINC000833347255 601248098 /nfs/dbraw/zinc/24/80/98/601248098.db2.gz ZZQXTDQIAATPQR-JTQLQIEISA-N -1 0 308.790 3.836 20 0 DHADRM O=C([O-])Nc1cccc(NCc2cc3c(c(Cl)c2)OCO3)c1 ZINC000833290326 601248300 /nfs/dbraw/zinc/24/83/00/601248300.db2.gz SYDISWKZPUDYQJ-UHFFFAOYSA-N -1 0 320.732 3.771 20 0 DHADRM Cc1cccc(OCCNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000832974115 601251475 /nfs/dbraw/zinc/25/14/75/601251475.db2.gz GRNZOLJRVSFLFZ-UHFFFAOYSA-N -1 0 313.397 3.848 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cccnc2Cl)cc1 ZINC000826126784 601265774 /nfs/dbraw/zinc/26/57/74/601265774.db2.gz JEBCJIHAVZSFNV-UHFFFAOYSA-N -1 0 304.777 3.709 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000832917800 601266526 /nfs/dbraw/zinc/26/65/26/601266526.db2.gz ZFDUPDUFTPEVRH-WWGRRREGSA-N -1 0 316.401 3.878 20 0 DHADRM CC(=Cc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000825798742 601280209 /nfs/dbraw/zinc/28/02/09/601280209.db2.gz VXYFGWQOCKMSKY-LUAWRHEFSA-N -1 0 314.316 3.958 20 0 DHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000830811230 601294208 /nfs/dbraw/zinc/29/42/08/601294208.db2.gz VAJOXNINIPFVKD-UHFFFAOYSA-N -1 0 324.336 3.795 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)s1 ZINC000237524328 601295376 /nfs/dbraw/zinc/29/53/76/601295376.db2.gz RBVVXSYWQRFMRS-XHDPSFHLSA-N -1 0 317.410 3.557 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1oc2ccccc2c1C ZINC000262032877 601304705 /nfs/dbraw/zinc/30/47/05/601304705.db2.gz BEKRHJRUWHKZPG-UHFFFAOYSA-N -1 0 303.358 3.505 20 0 DHADRM COc1ccc(Oc2ccc(Cl)cc2NCC(=O)[O-])cc1 ZINC000832449416 601316612 /nfs/dbraw/zinc/31/66/12/601316612.db2.gz PGLKOPPJXWOQTJ-UHFFFAOYSA-N -1 0 307.733 3.637 20 0 DHADRM O=C([O-])Nc1ccccc1OCCOc1ccc(Cl)cc1 ZINC000833288436 601319640 /nfs/dbraw/zinc/31/96/40/601319640.db2.gz UNLKXJUNLJZKSF-UHFFFAOYSA-N -1 0 307.733 3.888 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000833287316 601333159 /nfs/dbraw/zinc/33/31/59/601333159.db2.gz BIZRYNQEBPQJFU-BXUZGUMPSA-N -1 0 303.362 3.573 20 0 DHADRM Cc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000832945710 601338919 /nfs/dbraw/zinc/33/89/19/601338919.db2.gz XRACLIYOVXYMBG-DVOMOZLQSA-N -1 0 316.401 3.878 20 0 DHADRM Cc1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000832948762 601339193 /nfs/dbraw/zinc/33/91/93/601339193.db2.gz CZROULMHXKBWOA-BXUZGUMPSA-N -1 0 306.431 3.558 20 0 DHADRM C[C@H](SCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000827909498 601344703 /nfs/dbraw/zinc/34/47/03/601344703.db2.gz XULIOCLWFCSDNQ-LURJTMIESA-N -1 0 309.612 3.809 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc2c(s1)CCCC2 ZINC000827929134 601356050 /nfs/dbraw/zinc/35/60/50/601356050.db2.gz VZKLQBMJLKMRIG-JTQLQIEISA-N -1 0 320.414 3.506 20 0 DHADRM O=C([O-])c1cccc(OCCSCc2ccnc(Cl)c2)c1 ZINC000833332126 601356860 /nfs/dbraw/zinc/35/68/60/601356860.db2.gz IQGXUJFZCJPIDQ-UHFFFAOYSA-N -1 0 323.801 3.745 20 0 DHADRM O=C([O-])c1cccc(OCc2noc(/C=C\c3ccccc3)n2)c1 ZINC000833332027 601365361 /nfs/dbraw/zinc/36/53/61/601365361.db2.gz GSLJIOPLUOWCHQ-KTKRTIGZSA-N -1 0 322.320 3.517 20 0 DHADRM Cc1ccc(C)c(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC000832924169 601365377 /nfs/dbraw/zinc/36/53/77/601365377.db2.gz HMRPTHYENCBDKV-UHFFFAOYSA-N -1 0 324.336 3.631 20 0 DHADRM O=C([O-])Nc1ccccc1OCCOc1cccc(Cl)c1 ZINC000833287495 601368161 /nfs/dbraw/zinc/36/81/61/601368161.db2.gz JQUVDLNMVPJEDY-UHFFFAOYSA-N -1 0 307.733 3.888 20 0 DHADRM O=C([O-])Nc1ccccc1OCc1cccc(OC(F)F)c1 ZINC000833288958 601368210 /nfs/dbraw/zinc/36/82/10/601368210.db2.gz XRHOBTKBQYYJLS-UHFFFAOYSA-N -1 0 309.268 3.957 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1cccc(C)c1C ZINC000828797220 601378180 /nfs/dbraw/zinc/37/81/80/601378180.db2.gz YXVHWKHHWYTKPW-UHFFFAOYSA-N -1 0 308.447 3.623 20 0 DHADRM C/C(=C\C(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000769496404 601387888 /nfs/dbraw/zinc/38/78/88/601387888.db2.gz IPADCNJZMJXNIS-ZRDIBKRKSA-N -1 0 309.793 3.505 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(OC(F)(F)F)c1 ZINC000318047342 601389949 /nfs/dbraw/zinc/38/99/49/601389949.db2.gz NZYAGIHFHXJHOB-UHFFFAOYSA-N -1 0 315.247 3.797 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc([C@@H](C)OC)c1 ZINC000830379171 601390953 /nfs/dbraw/zinc/39/09/53/601390953.db2.gz LSZDWHPQYAXDTM-LLVKDONJSA-N -1 0 303.358 3.860 20 0 DHADRM Cc1cccc(C2(c3nc(-c4ccc(C(=O)[O-])cc4)no3)CC2)c1 ZINC000832966391 601402595 /nfs/dbraw/zinc/40/25/95/601402595.db2.gz VMNXBINUSHFOOL-UHFFFAOYSA-N -1 0 320.348 3.823 20 0 DHADRM C/C(=C\COC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000825752940 601422030 /nfs/dbraw/zinc/42/20/30/601422030.db2.gz PMCJYIUFLBKXRT-ORZBULNSSA-N -1 0 317.168 3.671 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000830369124 601424389 /nfs/dbraw/zinc/42/43/89/601424389.db2.gz JIAAKYYANZEFBO-CQSZACIVSA-N -1 0 303.333 3.626 20 0 DHADRM CCc1nc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000567250155 601431710 /nfs/dbraw/zinc/43/17/10/601431710.db2.gz CBUYYWHPTLQWHX-DZGCQCFKSA-N -1 0 322.474 3.561 20 0 DHADRM O=C([O-])CCSCc1cccc(Nc2ncc(Cl)cn2)c1 ZINC000833240070 601434953 /nfs/dbraw/zinc/43/49/53/601434953.db2.gz PHCYPMZVLBGNGO-UHFFFAOYSA-N -1 0 323.805 3.582 20 0 DHADRM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827934704 601442426 /nfs/dbraw/zinc/44/24/26/601442426.db2.gz IKZJUUMBOPJRME-AMIZOPFISA-N -1 0 306.164 3.553 20 0 DHADRM C/C(=C/C(=O)N1CCCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000825717003 601446946 /nfs/dbraw/zinc/44/69/46/601446946.db2.gz QMNACHUYKQVKGA-LMRWQKIVSA-N -1 0 321.804 3.599 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC1CCCCCC1 ZINC000832523781 601447106 /nfs/dbraw/zinc/44/71/06/601447106.db2.gz MFKLPSXTLFMUAE-UHFFFAOYSA-N -1 0 306.358 3.659 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000668301832 601452902 /nfs/dbraw/zinc/45/29/02/601452902.db2.gz STXXRYKQZXTFID-STQMWFEESA-N -1 0 323.458 3.760 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000237033490 601459124 /nfs/dbraw/zinc/45/91/24/601459124.db2.gz MNXGKZJUAHPPKW-ZDUSSCGKSA-N -1 0 322.163 3.506 20 0 DHADRM O=C([O-])[C@@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000833096005 601470853 /nfs/dbraw/zinc/47/08/53/601470853.db2.gz GEGJWKAERUZCQJ-CHYADLBTSA-N -1 0 314.312 3.598 20 0 DHADRM O=C([O-])c1cccc(COC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000833096946 601472378 /nfs/dbraw/zinc/47/23/78/601472378.db2.gz XGTXIEGJIOXOJV-HYXAFXHYSA-N -1 0 314.312 3.671 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1cccc(C(C)C)c1 ZINC000828652576 601472687 /nfs/dbraw/zinc/47/26/87/601472687.db2.gz PTTGDIRYPTYFCX-MRXNPFEDSA-N -1 0 308.447 3.740 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000319496122 601484259 /nfs/dbraw/zinc/48/42/59/601484259.db2.gz VNIBLYBUPAKEJZ-UHFFFAOYSA-N -1 0 324.808 3.757 20 0 DHADRM CC(C)C1(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000232633549 601486747 /nfs/dbraw/zinc/48/67/47/601486747.db2.gz IPCUQCOSHWBKTM-UHFFFAOYSA-N -1 0 310.781 3.596 20 0 DHADRM Cc1ccc(/C=C/CC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000678978773 601503420 /nfs/dbraw/zinc/50/34/20/601503420.db2.gz FFGNSOXDDIHRTG-AATRIKPKSA-N -1 0 315.413 3.692 20 0 DHADRM Cc1ccc(/C=C/CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000832930428 601504165 /nfs/dbraw/zinc/50/41/65/601504165.db2.gz WUSYQKLDCLEMEB-NSCUHMNNSA-N -1 0 310.349 3.631 20 0 DHADRM Cc1cc(COC(=O)C/C=C/c2ccc(C)cc2)oc1C(=O)[O-] ZINC000832928001 601547663 /nfs/dbraw/zinc/54/76/63/601547663.db2.gz HDBMZTHLCOIEBE-ONEGZZNKSA-N -1 0 314.337 3.741 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000829285113 601555862 /nfs/dbraw/zinc/55/58/62/601555862.db2.gz JOCOSZQNXVWQDW-WLYUNCDWSA-N -1 0 312.454 3.536 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/SCc2ccco2)c1 ZINC000238104485 601570090 /nfs/dbraw/zinc/57/00/90/601570090.db2.gz BCOKWLCYPZBQTP-FNORWQNLSA-N -1 0 321.329 3.503 20 0 DHADRM CC(C)C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000826754726 601601854 /nfs/dbraw/zinc/60/18/54/601601854.db2.gz QVKNOXYYYWXBTB-MRXNPFEDSA-N -1 0 317.429 3.578 20 0 DHADRM O=C([O-])C1(CNC(=O)CCCCCc2cccs2)CCCC1 ZINC000676024917 601602868 /nfs/dbraw/zinc/60/28/68/601602868.db2.gz FUWYMQVADKOQRG-UHFFFAOYSA-N -1 0 323.458 3.612 20 0 DHADRM O=C([O-])Nc1cccc(NCc2noc(-c3cccs3)n2)c1 ZINC000833288820 601606392 /nfs/dbraw/zinc/60/63/92/601606392.db2.gz HOYHITAICKQPFR-UHFFFAOYSA-N -1 0 316.342 3.500 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000653533765 601614424 /nfs/dbraw/zinc/61/44/24/601614424.db2.gz FCEPPMIWBODFQO-GFCCVEGCSA-N -1 0 306.406 3.776 20 0 DHADRM C[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000237534549 601614823 /nfs/dbraw/zinc/61/48/23/601614823.db2.gz AKOCJVXHPHULJK-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(C(F)F)c1 ZINC000738629595 601617188 /nfs/dbraw/zinc/61/71/88/601617188.db2.gz DCSGWUCVXXGEPB-UHFFFAOYSA-N -1 0 305.280 3.504 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000832904888 601623218 /nfs/dbraw/zinc/62/32/18/601623218.db2.gz FKJHZPOXTOUZQU-LLVKDONJSA-N -1 0 324.446 3.728 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1F ZINC000833282790 601623280 /nfs/dbraw/zinc/62/32/80/601623280.db2.gz JRZIILHVVLHYDG-QMTHXVAHSA-N -1 0 321.352 3.712 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1F ZINC000833282787 601623336 /nfs/dbraw/zinc/62/33/36/601623336.db2.gz JRZIILHVVLHYDG-IINYFYTJSA-N -1 0 321.352 3.712 20 0 DHADRM CC[C@@H](O)CN(Cc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000829004334 601625004 /nfs/dbraw/zinc/62/50/04/601625004.db2.gz GDHZTDJDERVWIE-OAHLLOKOSA-N -1 0 319.426 3.532 20 0 DHADRM O=C([O-])c1ccc(CN2CCCC[C@H]2c2nccs2)cc1F ZINC000833313104 601625879 /nfs/dbraw/zinc/62/58/79/601625879.db2.gz PBYVAJVBBXDFPH-AWEZNQCLSA-N -1 0 320.389 3.708 20 0 DHADRM Cc1nc(C(=O)[O-])cn1CCCOc1cccc2ccccc21 ZINC000832995135 601637313 /nfs/dbraw/zinc/63/73/13/601637313.db2.gz AWVPEZUIIGFRKV-UHFFFAOYSA-N -1 0 310.353 3.512 20 0 DHADRM CC[C@@](C)(NCc1cc(C(=O)[O-])sc1C)c1nccs1 ZINC000828693695 601641611 /nfs/dbraw/zinc/64/16/11/601641611.db2.gz ZFRWGWRQEAADQY-CQSZACIVSA-N -1 0 310.444 3.626 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-] ZINC000236677655 601641924 /nfs/dbraw/zinc/64/19/24/601641924.db2.gz SHDPZGUGMHGTGD-ZDUSSCGKSA-N -1 0 303.358 3.505 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2cccc(C)c2o1)C(=O)[O-] ZINC000776663446 601645574 /nfs/dbraw/zinc/64/55/74/601645574.db2.gz FHFZZEHBMFODLI-ZDUSSCGKSA-N -1 0 303.358 3.505 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC000832857494 601652179 /nfs/dbraw/zinc/65/21/79/601652179.db2.gz QCADCLKNXQCJGE-ZBFHGGJFSA-N -1 0 309.365 3.511 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1F ZINC000833156352 601664045 /nfs/dbraw/zinc/66/40/45/601664045.db2.gz FTACGWVYASKMEJ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)CC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC000321302876 601664344 /nfs/dbraw/zinc/66/43/44/601664344.db2.gz PVCHDZVSTMQNPI-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000830508772 601671257 /nfs/dbraw/zinc/67/12/57/601671257.db2.gz YQFLIHMNEGQEGL-YOEHRIQHSA-N -1 0 324.380 3.618 20 0 DHADRM CCOc1ccc(OCc2cc(C(=O)[O-])sc2C)c(C=O)c1 ZINC000830088810 601674316 /nfs/dbraw/zinc/67/43/16/601674316.db2.gz KJTIREAXDFDBTD-UHFFFAOYSA-N -1 0 320.366 3.545 20 0 DHADRM CC(=O)c1cc(F)cc(F)c1OCc1ccc(C(=O)[O-])c(F)c1 ZINC000825946686 601675441 /nfs/dbraw/zinc/67/54/41/601675441.db2.gz LGRZADQBMACRKV-UHFFFAOYSA-N -1 0 324.254 3.584 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833238059 601675666 /nfs/dbraw/zinc/67/56/66/601675666.db2.gz FKQFKHAKDXBJKB-FUHWJXTLSA-N -1 0 323.392 3.521 20 0 DHADRM CCN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000829591280 601678417 /nfs/dbraw/zinc/67/84/17/601678417.db2.gz RCPBAJSEZWHNHR-WBVHZDCISA-N -1 0 323.392 3.617 20 0 DHADRM O=C([O-])[C@H]1CC12CCN(c1nc(-c3ccccc3)cs1)CC2 ZINC000405481630 601679751 /nfs/dbraw/zinc/67/97/51/601679751.db2.gz JVFAEYLIPRMPFM-CYBMUJFWSA-N -1 0 314.410 3.501 20 0 DHADRM C[C@@H](N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1(C)CC1 ZINC000385212699 601692840 /nfs/dbraw/zinc/69/28/40/601692840.db2.gz XRXFQXDDKBKPHA-SECBINFHSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C\c1ccsc1 ZINC000833032274 601711190 /nfs/dbraw/zinc/71/11/90/601711190.db2.gz XKXVWRHPIYTOKD-IHWYPQMZSA-N -1 0 308.380 3.573 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000828246085 601743818 /nfs/dbraw/zinc/74/38/18/601743818.db2.gz RDYPLHOMUOGTID-RYUDHWBXSA-N -1 0 324.446 3.705 20 0 DHADRM CCCC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C1CCC1 ZINC000829295248 601754038 /nfs/dbraw/zinc/75/40/38/601754038.db2.gz AALDHRHZRNGDKO-INIZCTEOSA-N -1 0 318.417 3.794 20 0 DHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@H]3Cc3ccccc3)n2)c1 ZINC000833328101 601772415 /nfs/dbraw/zinc/77/24/15/601772415.db2.gz VOVMGNLHEFYIPM-HOTGVXAUSA-N -1 0 320.348 3.781 20 0 DHADRM COc1ccc(F)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832373824 601798466 /nfs/dbraw/zinc/79/84/66/601798466.db2.gz KBKSRVUEEVWGJJ-UHFFFAOYSA-N -1 0 319.292 3.568 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000828618647 601805488 /nfs/dbraw/zinc/80/54/88/601805488.db2.gz XPNPMJLBBUUQGI-DJJJIMSYSA-N -1 0 313.397 3.703 20 0 DHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])O1 ZINC000828221227 601806846 /nfs/dbraw/zinc/80/68/46/601806846.db2.gz KMMXNYNPNOIEOZ-ONGXEEELSA-N -1 0 323.414 3.610 20 0 DHADRM COc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832523161 601807968 /nfs/dbraw/zinc/80/79/68/601807968.db2.gz IDCOMNSOYCIDQZ-UHFFFAOYSA-N -1 0 317.366 3.585 20 0 DHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1Cc2ccccc21 ZINC000738668737 601808804 /nfs/dbraw/zinc/80/88/04/601808804.db2.gz GDAUQZGVVLLUEB-LBPRGKRZSA-N -1 0 313.378 3.602 20 0 DHADRM Cc1nc(C)c(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000832994822 601809098 /nfs/dbraw/zinc/80/90/98/601809098.db2.gz QYTFXSDPPPGVSD-UHFFFAOYSA-N -1 0 322.411 3.649 20 0 DHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1cccc(F)c1 ZINC000833117480 601809471 /nfs/dbraw/zinc/80/94/71/601809471.db2.gz NLHFENBIILUMLJ-UHFFFAOYSA-N -1 0 319.357 3.644 20 0 DHADRM CCCCCC(C)(C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000829305162 601810809 /nfs/dbraw/zinc/81/08/09/601810809.db2.gz UALJUPPWIOMGNK-UHFFFAOYSA-N -1 0 309.406 3.851 20 0 DHADRM O=C([O-])c1ccccc1NCc1ncc(-c2ccc(F)cc2)o1 ZINC000833334281 601811836 /nfs/dbraw/zinc/81/18/36/601811836.db2.gz APABQBGXNZRXLJ-UHFFFAOYSA-N -1 0 312.300 3.791 20 0 DHADRM O=C([O-])c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1F ZINC000236483332 601813758 /nfs/dbraw/zinc/81/37/58/601813758.db2.gz YKNRAXDFKHMVST-UHFFFAOYSA-N -1 0 307.302 3.724 20 0 DHADRM CC(C)Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000679096010 601820630 /nfs/dbraw/zinc/82/06/30/601820630.db2.gz MJHWULACZWLZEZ-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM CCCCc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000321530952 601820922 /nfs/dbraw/zinc/82/09/22/601820922.db2.gz YSEKLZXNPILILX-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM C[C@H](SCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000827908534 601828995 /nfs/dbraw/zinc/82/89/95/601828995.db2.gz KIVJGEJQIZQGDZ-NSHDSACASA-N -1 0 307.440 3.635 20 0 DHADRM COc1ccc(NCc2nc(C(C)(C)C)cs2)c(C(=O)[O-])c1 ZINC000832413333 601829095 /nfs/dbraw/zinc/82/90/95/601829095.db2.gz QBRVUPKAXVAGFP-UHFFFAOYSA-N -1 0 320.414 3.760 20 0 DHADRM O=C([O-])c1sccc1CN(Cc1ccccc1)CC(F)F ZINC000515306105 601836378 /nfs/dbraw/zinc/83/63/78/601836378.db2.gz VCVPJTQCHJFSLH-UHFFFAOYSA-N -1 0 311.353 3.714 20 0 DHADRM COC(=O)c1ccc(CSCc2cccc(C(=O)[O-])c2)s1 ZINC000831384965 601846296 /nfs/dbraw/zinc/84/62/96/601846296.db2.gz IEGXAPIDLFSZQQ-UHFFFAOYSA-N -1 0 322.407 3.666 20 0 DHADRM CCN(C(=O)c1cc(F)c(C)cc1F)c1ccccc1C(=O)[O-] ZINC000829601876 601865979 /nfs/dbraw/zinc/86/59/79/601865979.db2.gz CFMVBUUENVRCGH-UHFFFAOYSA-N -1 0 319.307 3.638 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000826832514 601886490 /nfs/dbraw/zinc/88/64/90/601886490.db2.gz SHGGDILXJMVQTD-OAHLLOKOSA-N -1 0 304.390 3.817 20 0 DHADRM COc1cccc(CCCNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000832549838 601908299 /nfs/dbraw/zinc/90/82/99/601908299.db2.gz RKVUOSHEMSNEGP-UHFFFAOYSA-N -1 0 318.348 3.969 20 0 DHADRM COc1cccc(CCCNc2ccc(CCC(=O)[O-])cc2)c1 ZINC000832549642 601909387 /nfs/dbraw/zinc/90/93/87/601909387.db2.gz PQGNAFXADQMDRO-UHFFFAOYSA-N -1 0 313.397 3.757 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)C(F)=C1CCCC1)C(=O)[O-] ZINC000827448699 601937602 /nfs/dbraw/zinc/93/76/02/601937602.db2.gz BVMBRGUCDUNFPO-CYBMUJFWSA-N -1 0 319.376 3.534 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826833019 601940250 /nfs/dbraw/zinc/94/02/50/601940250.db2.gz ZPYDLKJEOCLFOF-OAHLLOKOSA-N -1 0 304.390 3.817 20 0 DHADRM Cc1ccc(C)c(NC(=S)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738262224 601953360 /nfs/dbraw/zinc/95/33/60/601953360.db2.gz HYUVEYFFCJEOOH-UHFFFAOYSA-N -1 0 314.410 3.739 20 0 DHADRM O=C([O-])Cc1cccc(NCCCOc2cccc(Cl)c2)c1 ZINC000738630773 601965544 /nfs/dbraw/zinc/96/55/44/601965544.db2.gz MZRWAJFQQWGICQ-UHFFFAOYSA-N -1 0 319.788 3.848 20 0 DHADRM Cc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)c(Cl)cc1F ZINC000832869783 601972674 /nfs/dbraw/zinc/97/26/74/601972674.db2.gz OETWSAXGFVBGCS-UHFFFAOYSA-N -1 0 322.719 3.634 20 0 DHADRM CCS[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)C(C)C ZINC000739519554 601978062 /nfs/dbraw/zinc/97/80/62/601978062.db2.gz OBTLYKYSTJIKHM-LBPRGKRZSA-N -1 0 314.382 3.632 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)cc(Cl)c2)c1 ZINC000317018501 602006316 /nfs/dbraw/zinc/00/63/16/602006316.db2.gz QSNSUSRAOVGJOQ-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1ccc(F)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832934047 602026001 /nfs/dbraw/zinc/02/60/01/602026001.db2.gz HUYQNYLUOIHMCQ-KGLIPLIRSA-N -1 0 322.380 3.679 20 0 DHADRM O=C([O-])CN(C/C(Cl)=C/Cl)Cc1ccc(Cl)cc1 ZINC000833247371 602036738 /nfs/dbraw/zinc/03/67/38/602036738.db2.gz HNIDZQVDVAAJRG-WZUFQYTHSA-N -1 0 308.592 3.546 20 0 DHADRM O=C([O-])CCN(C/C(Cl)=C/Cl)Cc1ccc(F)c(F)c1 ZINC000833232104 602042991 /nfs/dbraw/zinc/04/29/91/602042991.db2.gz NQHZZFSULWNHGY-POHAHGRESA-N -1 0 324.154 3.561 20 0 DHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC12CCC2 ZINC000833312516 602052927 /nfs/dbraw/zinc/05/29/27/602052927.db2.gz QFPWZEUHCRCYBE-SNVBAGLBSA-N 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CC(C)[C@H]1CCCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738802996 602979921 /nfs/dbraw/zinc/97/99/21/602979921.db2.gz ZWKVDIIADSDWNK-CQSZACIVSA-N -1 0 308.353 3.566 20 0 DHADRM CCc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827599585 602982619 /nfs/dbraw/zinc/98/26/19/602982619.db2.gz HFNHDIJNPVLNEM-UHFFFAOYSA-N -1 0 312.369 3.577 20 0 DHADRM CC(C)[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ccccn1 ZINC000736392429 602995763 /nfs/dbraw/zinc/99/57/63/602995763.db2.gz ZCFDCGHPFJQIDB-OAHLLOKOSA-N -1 0 314.341 3.726 20 0 DHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739086358 603032489 /nfs/dbraw/zinc/03/24/89/603032489.db2.gz AHSFAYGHDXNBCR-JQWIXIFHSA-N -1 0 323.368 3.958 20 0 DHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738825909 603033864 /nfs/dbraw/zinc/03/38/64/603033864.db2.gz ZUKDNZMUUVWPIX-GFCCVEGCSA-N -1 0 323.368 3.958 20 0 DHADRM C[C@H]1CCCCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739102308 603039209 /nfs/dbraw/zinc/03/92/09/603039209.db2.gz 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Cc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000830230421 603183665 /nfs/dbraw/zinc/18/36/65/603183665.db2.gz IXBJVSGTZSNMHK-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830230985 603185788 /nfs/dbraw/zinc/18/57/88/603185788.db2.gz VNPQICFHWLGFGF-SNVBAGLBSA-N -1 0 304.371 3.637 20 0 DHADRM Cc1ccsc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830616850 603190762 /nfs/dbraw/zinc/19/07/62/603190762.db2.gz TUEBRCVCOJYWQV-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1 ZINC000825414916 603192785 /nfs/dbraw/zinc/19/27/85/603192785.db2.gz BXZPMOFCESSRDY-QWRGUYRKSA-N -1 0 318.398 3.819 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000826034516 603202174 /nfs/dbraw/zinc/20/21/74/603202174.db2.gz JUEFFDWVFSPEAE-BLLLJJGKSA-N -1 0 310.353 3.610 20 0 DHADRM O=C([O-])N[C@@H](CNc1nccc2sccc21)c1ccccc1 ZINC000832140875 603202422 /nfs/dbraw/zinc/20/24/22/603202422.db2.gz 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603263505 /nfs/dbraw/zinc/26/35/05/603263505.db2.gz UCEXDUREHUOMCL-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1NC(=O)[O-] ZINC000830182179 603296195 /nfs/dbraw/zinc/29/61/95/603296195.db2.gz TXOTYLBKRKVLAF-IUODEOHRSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@H](C(=O)N(C)[C@@H](C)C(C)(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823647032 603296710 /nfs/dbraw/zinc/29/67/10/603296710.db2.gz HXSOWWUTTDWEPJ-KCQAQPDRSA-N -1 0 320.433 3.524 20 0 DHADRM CC(C)N(CCC(=O)N1CCCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000738838888 603301090 /nfs/dbraw/zinc/30/10/90/603301090.db2.gz AEMCPCURPYGCHF-CQSZACIVSA-N -1 0 322.405 3.502 20 0 DHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000737659646 603310125 /nfs/dbraw/zinc/31/01/25/603310125.db2.gz GFANGZJOVLOXIW-SNVBAGLBSA-N -1 0 303.362 3.571 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739265884 603322804 /nfs/dbraw/zinc/32/28/04/603322804.db2.gz LYETWWWGJXAIAH-UKRRQHHQSA-N -1 0 319.405 3.545 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1NC(=O)[O-] ZINC000830230573 603341766 /nfs/dbraw/zinc/34/17/66/603341766.db2.gz LNCSBPVYRPDKCR-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM Cc1ccc(C(=O)NCC2CCC(C)CC2)cc1NC(=O)[O-] ZINC000830216788 603397949 /nfs/dbraw/zinc/39/79/49/603397949.db2.gz KTGCGMPGXNWSHR-UHFFFAOYSA-N -1 0 304.390 3.641 20 0 DHADRM Cc1ccc(-c2nc(Cc3ccccc3)no2)cc1NC(=O)[O-] ZINC000830160251 603409287 /nfs/dbraw/zinc/40/92/87/603409287.db2.gz OIVFMBXRNWZLNL-UHFFFAOYSA-N -1 0 309.325 3.726 20 0 DHADRM O=C([O-])N[C@@H]1CC[C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000832319585 603417986 /nfs/dbraw/zinc/41/79/86/603417986.db2.gz YRRBADCBSVFEOQ-CHWSQXEVSA-N -1 0 323.352 3.794 20 0 DHADRM C[C@H](c1nc(C2(NC(=O)[O-])CCC2)no1)c1cccc(Cl)c1 ZINC000825630373 603420319 /nfs/dbraw/zinc/42/03/19/603420319.db2.gz QMKBTKOOWOWCET-VIFPVBQESA-N -1 0 321.764 3.522 20 0 DHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000832288429 603431211 /nfs/dbraw/zinc/43/12/11/603431211.db2.gz UCZLJVLNJNZALO-RDJZCZTQSA-N -1 0 324.380 3.728 20 0 DHADRM CN(Cc1cccc(NC(=O)c2cccc3[nH]ccc32)c1)C(=O)[O-] ZINC000828375928 603441569 /nfs/dbraw/zinc/44/15/69/603441569.db2.gz XFDJPAXSBPHQLF-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM C[C@H](C(=O)Oc1cccc(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000737569341 603478968 /nfs/dbraw/zinc/47/89/68/603478968.db2.gz VCMPYLZJFGHKSX-JTQLQIEISA-N -1 0 303.289 3.625 20 0 DHADRM CCN(CC1CCN(c2nccc3sccc32)CC1)C(=O)[O-] ZINC000827111005 603527094 /nfs/dbraw/zinc/52/70/94/603527094.db2.gz JZDAFGQPCKJQFV-UHFFFAOYSA-N -1 0 319.430 3.513 20 0 DHADRM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000826667316 603735882 /nfs/dbraw/zinc/73/58/82/603735882.db2.gz JAKXFNRCJDBQBB-ZANVPECISA-N -1 0 310.781 3.738 20 0 DHADRM Cc1cccc([C@H](C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830473646 603959781 /nfs/dbraw/zinc/95/97/81/603959781.db2.gz XTFAZAYAQBJNOR-ZDUSSCGKSA-N -1 0 324.380 3.778 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1cccc(F)c1 ZINC000831783565 603965826 /nfs/dbraw/zinc/96/58/26/603965826.db2.gz HHQNMQAPUGWYMX-UHFFFAOYSA-N -1 0 315.304 3.510 20 0 DHADRM CC(C)(C)NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000823778848 603988575 /nfs/dbraw/zinc/98/85/75/603988575.db2.gz MAHMNVQGEHJZAM-UHFFFAOYSA-N -1 0 319.283 3.715 20 0 DHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000827495069 604061152 /nfs/dbraw/zinc/06/11/52/604061152.db2.gz GBEILRLDBSJYGK-ZIAGYGMSSA-N -1 0 322.430 3.571 20 0 DHADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccccc1-c1cccs1 ZINC000824880827 604078639 /nfs/dbraw/zinc/07/86/39/604078639.db2.gz NRZSENNGWWJOOH-NSHDSACASA-N -1 0 318.398 3.600 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000826645503 604093726 /nfs/dbraw/zinc/09/37/26/604093726.db2.gz REPSLAVZLQEHPV-PXAZEXFGSA-N -1 0 319.405 3.669 20 0 DHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000823870131 604151413 /nfs/dbraw/zinc/15/14/13/604151413.db2.gz PSOLIULERJQOIH-UHFFFAOYSA-N -1 0 319.386 3.783 20 0 DHADRM Cc1ccccc1OC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830585812 604214540 /nfs/dbraw/zinc/21/45/40/604214540.db2.gz FHXKPBVVNQLELO-XJKSGUPXSA-N -1 0 313.353 3.545 20 0 DHADRM CC(=O)c1cccc(OC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000823641304 604216956 /nfs/dbraw/zinc/21/69/56/604216956.db2.gz RGYYEFOFRBUCRJ-UHFFFAOYSA-N -1 0 313.309 3.507 20 0 DHADRM CCN(Cc1ccccc1NC(=O)CCC1CCC1)C(=O)[O-] ZINC000827183040 604243901 /nfs/dbraw/zinc/24/39/01/604243901.db2.gz WWHMZYSGSUJZRS-UHFFFAOYSA-N -1 0 304.390 3.705 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)CCC1CCCCC1 ZINC000738163659 604316489 /nfs/dbraw/zinc/31/64/89/604316489.db2.gz OEYPKVSCOJOWAM-LLVKDONJSA-N -1 0 320.433 3.809 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2nc3ccccc3o2)cc1 ZINC000825400970 604345411 /nfs/dbraw/zinc/34/54/11/604345411.db2.gz BJKUFGDQXCXSLO-LLVKDONJSA-N -1 0 311.341 3.769 20 0 DHADRM CC(C)c1cc(NCc2ccc([C@@H](C)NC(=O)[O-])cc2)ncn1 ZINC000824463906 604345467 /nfs/dbraw/zinc/34/54/67/604345467.db2.gz NIHIQAIOQWRHPV-GFCCVEGCSA-N -1 0 314.389 3.541 20 0 DHADRM Cc1nc(CSc2nc3ccc(C(=O)[O-])cc3o2)sc1C ZINC000833000492 604366506 /nfs/dbraw/zinc/36/65/06/604366506.db2.gz IVPPUSBVIKRKGK-UHFFFAOYSA-N -1 0 320.395 3.892 20 0 DHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC000825717561 604379154 /nfs/dbraw/zinc/37/91/54/604379154.db2.gz ZUQDMLJWLJWNRU-CJTWTEFWSA-N -1 0 317.429 3.947 20 0 DHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000826924629 604388931 /nfs/dbraw/zinc/38/89/31/604388931.db2.gz LQNPJOVEPIPADS-UHFFFAOYSA-N -1 0 307.365 3.707 20 0 DHADRM Cc1cc(Cl)ncc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832887041 604408053 /nfs/dbraw/zinc/40/80/53/604408053.db2.gz UKOMTZWTEIXPNL-UHFFFAOYSA-N -1 0 320.736 3.777 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1CCCC1 ZINC000829027036 604429220 /nfs/dbraw/zinc/42/92/20/604429220.db2.gz MJHIVGXZGTXPKL-MRXNPFEDSA-N -1 0 303.402 3.631 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccccc1C ZINC000829027136 604429365 /nfs/dbraw/zinc/42/93/65/604429365.db2.gz NDTVUDVZPIGQPX-QGZVFWFLSA-N -1 0 311.381 3.673 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CC2=CCCCC2)cc1 ZINC000825378004 604455146 /nfs/dbraw/zinc/45/51/46/604455146.db2.gz OXXLTXBNYDOOIY-ZDUSSCGKSA-N -1 0 316.401 3.522 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833447864 604469164 /nfs/dbraw/zinc/46/91/64/604469164.db2.gz YVOSPNLFOMJDKI-UHFFFAOYSA-N -1 0 301.433 3.697 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833447515 604471536 /nfs/dbraw/zinc/47/15/36/604471536.db2.gz SMZOEKHHFBOICN-UHFFFAOYSA-N -1 0 313.394 3.774 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000833151628 604489045 /nfs/dbraw/zinc/48/90/45/604489045.db2.gz RWANRQRLGYXQGQ-CQSZACIVSA-N -1 0 316.382 3.719 20 0 DHADRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833532583 604494557 /nfs/dbraw/zinc/49/45/57/604494557.db2.gz RPWAIWWWXSGCCM-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM O=C([O-])c1csc(NC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000833149906 604505655 /nfs/dbraw/zinc/50/56/55/604505655.db2.gz BTXZMQUGIGGMNN-UHFFFAOYSA-N -1 0 316.382 3.514 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000833151624 604520203 /nfs/dbraw/zinc/52/02/03/604520203.db2.gz RVSCODWXLYEZSC-NWDGAFQWSA-N -1 0 308.403 3.537 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000832921493 604524854 /nfs/dbraw/zinc/52/48/54/604524854.db2.gz RPPMZWAIHNYIRF-QMMMGPOBSA-N -1 0 310.400 3.699 20 0 DHADRM CC[C@@H](C)CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828746378 604527431 /nfs/dbraw/zinc/52/74/31/604527431.db2.gz BOPUBVZVNXBQCP-UKRRQHHQSA-N -1 0 320.433 3.526 20 0 DHADRM CCC(CC)n1nccc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828874963 604532012 /nfs/dbraw/zinc/53/20/12/604532012.db2.gz XRHPDWZHXXKWRL-UHFFFAOYSA-N -1 0 316.361 3.586 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)C2(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832873170 604545215 /nfs/dbraw/zinc/54/52/15/604545215.db2.gz DYNOBKJRDBJRQK-GFCCVEGCSA-N -1 0 314.337 3.622 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C\c2cccs2)oc1C(=O)[O-] ZINC000832873587 604548323 /nfs/dbraw/zinc/54/83/23/604548323.db2.gz HCVKAEMEWKTQGA-OMMCCPJFSA-N -1 0 306.339 3.665 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)CCc2ccccc2F)oc1C(=O)[O-] ZINC000832872655 604548327 /nfs/dbraw/zinc/54/83/27/604548327.db2.gz SQNJGLXJDVKZBF-LLVKDONJSA-N -1 0 320.316 3.662 20 0 DHADRM CN(Cc1ccc(NC(=O)[C@H]2CCCC(C)(C)C2)cc1)C(=O)[O-] ZINC000833695190 604558229 /nfs/dbraw/zinc/55/82/29/604558229.db2.gz KPULYQPQRAEPBR-AWEZNQCLSA-N -1 0 318.417 3.951 20 0 DHADRM CN(Cc1ccc(NC(=O)[C@@H]2CCCC(C)(C)C2)cc1)C(=O)[O-] ZINC000833695191 604558402 /nfs/dbraw/zinc/55/84/02/604558402.db2.gz KPULYQPQRAEPBR-CQSZACIVSA-N -1 0 318.417 3.951 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2coc3ccccc23)oc1C(=O)[O-] ZINC000832874170 604587861 /nfs/dbraw/zinc/58/78/61/604587861.db2.gz NJDQNOUINUQNBX-SNVBAGLBSA-N -1 0 314.293 3.950 20 0 DHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833603780 604600054 /nfs/dbraw/zinc/60/00/54/604600054.db2.gz PRMNQOFMNVOSBL-RYUDHWBXSA-N -1 0 322.430 3.658 20 0 DHADRM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833514497 604601495 /nfs/dbraw/zinc/60/14/95/604601495.db2.gz YYKRBNVGPACBBY-NSHDSACASA-N -1 0 322.430 3.516 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833614727 604602038 /nfs/dbraw/zinc/60/20/38/604602038.db2.gz SVPFNHOMNOIOHP-GFCCVEGCSA-N -1 0 322.430 3.517 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000833385920 604606610 /nfs/dbraw/zinc/60/66/10/604606610.db2.gz JWYWAUBINAZQPX-VURMDHGXSA-N -1 0 322.773 3.537 20 0 DHADRM CC(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833464669 604607531 /nfs/dbraw/zinc/60/75/31/604607531.db2.gz BDIWOCZCIBWDBX-AWEZNQCLSA-N -1 0 321.373 3.964 20 0 DHADRM O=C([O-])c1ccoc1COC(=O)c1ccc(-c2ccco2)s1 ZINC000833353464 604609473 /nfs/dbraw/zinc/60/94/73/604609473.db2.gz KZKOHZMPRREJDB-UHFFFAOYSA-N -1 0 318.306 3.656 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OC(F)F)cc1 ZINC000833524170 604625549 /nfs/dbraw/zinc/62/55/49/604625549.db2.gz BWAXEJDNVOAJHB-VIFPVBQESA-N -1 0 308.284 3.554 20 0 DHADRM COc1ccc2oc(CN3Cc4ccc(C(=O)[O-])cc4C3)cc2c1 ZINC000833735397 604637100 /nfs/dbraw/zinc/63/71/00/604637100.db2.gz ZNXZLMCDIISJIP-UHFFFAOYSA-N -1 0 323.348 3.655 20 0 DHADRM CC(C)(C(=O)Nc1nc(CCCC(=O)[O-])cs1)C1CCCC1 ZINC000833411837 604642032 /nfs/dbraw/zinc/64/20/32/604642032.db2.gz RQWCPOBZRBOSHM-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM CC(C)Cc1ncc(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000833493227 604646496 /nfs/dbraw/zinc/64/64/96/604646496.db2.gz KFEUTTVTOXARDH-INIZCTEOSA-N -1 0 318.442 3.599 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ncc(C(C)C)o1 ZINC000829028805 604654205 /nfs/dbraw/zinc/65/42/05/604654205.db2.gz ZFUKQJVDDZQLTB-OAHLLOKOSA-N -1 0 316.401 3.836 20 0 DHADRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)C1CCCC1 ZINC000833418891 604662097 /nfs/dbraw/zinc/66/20/97/604662097.db2.gz PNWMIZQQIBVVEY-UHFFFAOYSA-N -1 0 322.426 3.985 20 0 DHADRM CC(C)c1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(O)c(C(C)C)c1 ZINC000833508644 604708398 /nfs/dbraw/zinc/70/83/98/604708398.db2.gz OUWCALQTMHNMLR-UHFFFAOYSA-N -1 0 321.417 3.574 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833385584 604724463 /nfs/dbraw/zinc/72/44/63/604724463.db2.gz HUSGJBXVALQNBZ-POHAHGRESA-N -1 0 320.728 3.778 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000827139833 604731611 /nfs/dbraw/zinc/73/16/11/604731611.db2.gz RUSUQEUQOOUDJK-UHFFFAOYSA-N -1 0 324.427 3.598 20 0 DHADRM C[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)CC(C)(C)C ZINC000827240306 604736340 /nfs/dbraw/zinc/73/63/40/604736340.db2.gz JPCNXLMCIWKCEU-SNVBAGLBSA-N -1 0 312.435 3.561 20 0 DHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000683340267 604744268 /nfs/dbraw/zinc/74/42/68/604744268.db2.gz GHKYHSUVSGHCFY-NWDGAFQWSA-N -1 0 321.392 3.551 20 0 DHADRM C[C@@H](CS[C@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC000827575339 604746138 /nfs/dbraw/zinc/74/61/38/604746138.db2.gz LTNNAQFZXCOWTE-DTWKUNHWSA-N -1 0 303.221 3.964 20 0 DHADRM Cc1cc([C@H](C)Sc2ncc(C(C)C)n2C)oc1C(=O)[O-] ZINC000832873500 604749211 /nfs/dbraw/zinc/74/92/11/604749211.db2.gz KNKOOVCPGLUUFB-JTQLQIEISA-N -1 0 308.403 3.996 20 0 DHADRM Cc1cc([C@@H](C)Sc2ncc(C(C)C)n2C)oc1C(=O)[O-] ZINC000832873501 604749328 /nfs/dbraw/zinc/74/93/28/604749328.db2.gz KNKOOVCPGLUUFB-SNVBAGLBSA-N -1 0 308.403 3.996 20 0 DHADRM C[C@@H](c1ccco1)N(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000571887519 604764867 /nfs/dbraw/zinc/76/48/67/604764867.db2.gz FQJSGSRKJQRXBF-NSHDSACASA-N -1 0 303.333 3.843 20 0 DHADRM COc1ccc(C)cc1CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000322348670 604773048 /nfs/dbraw/zinc/77/30/48/604773048.db2.gz DUNMPKCYVJOENK-INIZCTEOSA-N -1 0 311.381 3.582 20 0 DHADRM Cc1cccc2c(Nc3ccc(OCCC(=O)[O-])cc3)ncnc12 ZINC000832973587 604774241 /nfs/dbraw/zinc/77/42/41/604774241.db2.gz DQEVHQKLSHFSIF-UHFFFAOYSA-N -1 0 323.352 3.535 20 0 DHADRM 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CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589637487 949629204 /nfs/dbraw/zinc/62/92/04/949629204.db2.gz IXUNDMSIVWAXQN-KBMXLJTQSA-N -1 0 309.450 3.600 20 0 DHADRM CCCCC[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC001589642281 949704151 /nfs/dbraw/zinc/70/41/51/949704151.db2.gz MCDYOARTIXNFAJ-ZDUSSCGKSA-N -1 0 312.454 3.536 20 0 DHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(C)c2F)c1C ZINC000180479076 1013094242 /nfs/dbraw/zinc/09/42/42/1013094242.db2.gz LJRZMJFQZSKGKD-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(C(C)(C)C)c(F)c1)C1CC1 ZINC001602814879 971611155 /nfs/dbraw/zinc/61/11/55/971611155.db2.gz HMNYSELIVOKADG-JTQLQIEISA-N -1 0 322.380 3.593 20 0 DHADRM CCc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236969251 949946669 /nfs/dbraw/zinc/94/66/69/949946669.db2.gz MLKIPXZGMNTQSN-WMLDXEAASA-N -1 0 317.429 3.598 20 0 DHADRM CCCOc1ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc1C ZINC001589681064 950048323 /nfs/dbraw/zinc/04/83/23/950048323.db2.gz HNEFORMRGJIRHN-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000261995180 950052753 /nfs/dbraw/zinc/05/27/53/950052753.db2.gz UHGDROLLDOPOFU-SNVBAGLBSA-N -1 0 317.307 3.528 20 0 DHADRM CCCOc1cccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001589684309 950062868 /nfs/dbraw/zinc/06/28/68/950062868.db2.gz QKFUZSYHWREMEH-UHFFFAOYSA-N -1 0 314.337 3.531 20 0 DHADRM CCCc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1Cl ZINC001589689045 950101285 /nfs/dbraw/zinc/10/12/85/950101285.db2.gz JJBMHSBZYNJYQR-UHFFFAOYSA-N -1 0 323.820 3.666 20 0 DHADRM CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)[O-] ZINC001589695160 950159401 /nfs/dbraw/zinc/15/94/01/950159401.db2.gz ZFDWTGRNIQMLGC-UHFFFAOYSA-N -1 0 318.320 3.642 20 0 DHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(C)c1Cl ZINC000263133770 950284659 /nfs/dbraw/zinc/28/46/59/950284659.db2.gz NKRBKLGQNLTSBT-BXKDBHETSA-N -1 0 324.808 3.531 20 0 DHADRM CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H](C)C(=O)[O-] ZINC001589707291 950307871 /nfs/dbraw/zinc/30/78/71/950307871.db2.gz RCVBYFOBGLSYEK-GFCCVEGCSA-N -1 0 324.380 3.585 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)NCCC(=O)[O-])cc1 ZINC000263435940 950463786 /nfs/dbraw/zinc/46/37/86/950463786.db2.gz ZVTUEPYGERLODN-INIZCTEOSA-N -1 0 318.417 3.521 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000263493469 950491722 /nfs/dbraw/zinc/49/17/22/950491722.db2.gz JCAKFYACUCQZNU-KSSFIOAISA-N -1 0 323.392 3.679 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)sc1Cl ZINC000263522273 950501101 /nfs/dbraw/zinc/50/11/01/950501101.db2.gz ROXDIFHBDSJUKY-SFYZADRCSA-N -1 0 308.230 3.740 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1 ZINC000263561231 950509785 /nfs/dbraw/zinc/50/97/85/950509785.db2.gz RPBMCYUIBRKMMS-CYBMUJFWSA-N -1 0 324.380 3.508 20 0 DHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@H](C(=O)[O-])C(C)C ZINC001589736625 950546861 /nfs/dbraw/zinc/54/68/61/950546861.db2.gz HIDRDECARDHLID-QGZVFWFLSA-N -1 0 313.397 3.545 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000318126464 950922268 /nfs/dbraw/zinc/92/22/68/950922268.db2.gz WPBIDKMIZLZJQW-VHSXEESVSA-N -1 0 315.291 3.692 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001602854383 971703364 /nfs/dbraw/zinc/70/33/64/971703364.db2.gz GUBHYVOECDTBJZ-UHFFFAOYSA-N -1 0 307.434 3.520 20 0 DHADRM CCOc1ccc([C@H](C)OC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001592815154 951364898 /nfs/dbraw/zinc/36/48/98/951364898.db2.gz ANIJKZZRIHCMIE-LRDDRELGSA-N -1 0 320.385 3.581 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000394836121 951458882 /nfs/dbraw/zinc/45/88/82/951458882.db2.gz BBPBVKXRVYYOBS-MRVPVSSYSA-N -1 0 323.801 3.632 20 0 DHADRM O=C([O-])CCCSc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001595053060 951479013 /nfs/dbraw/zinc/47/90/13/951479013.db2.gz VOMIGYDYFYLHQM-UHFFFAOYSA-N -1 0 304.293 3.539 20 0 DHADRM O=C([O-])Cc1ccc(Oc2ccnc(-c3ccccc3)n2)cc1 ZINC001595130789 952032403 /nfs/dbraw/zinc/03/24/03/952032403.db2.gz OUAQJTVPCUZROC-UHFFFAOYSA-N -1 0 306.321 3.563 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001602921290 971877632 /nfs/dbraw/zinc/87/76/32/971877632.db2.gz FIPZXGBLUHBMKD-HNNXBMFYSA-N -1 0 319.401 3.693 20 0 DHADRM CC(C)(CNC(=O)Nc1cncc(C(=O)[O-])c1)C1CCCCC1 ZINC001602948344 971920481 /nfs/dbraw/zinc/92/04/81/971920481.db2.gz XJZGQUNJYBGYMU-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000424413748 953475982 /nfs/dbraw/zinc/47/59/82/953475982.db2.gz PGEVVGYAGIXAKV-AWEZNQCLSA-N -1 0 320.433 3.588 20 0 DHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000427735882 953496570 /nfs/dbraw/zinc/49/65/70/953496570.db2.gz LAILOBMDEVYKOZ-AWEZNQCLSA-N -1 0 317.429 3.601 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000517145736 953544198 /nfs/dbraw/zinc/54/41/98/953544198.db2.gz QLPWSTVRBHPXIK-IUODEOHRSA-N -1 0 318.417 3.559 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)Nc1cccc(C(F)F)c1 ZINC001594772085 953569954 /nfs/dbraw/zinc/56/99/54/953569954.db2.gz QMRQECUOTRCVPE-UHFFFAOYSA-N -1 0 320.295 3.644 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])CC(C)(C)C1 ZINC001589286040 953572876 /nfs/dbraw/zinc/57/28/76/953572876.db2.gz LUYKKXBNVKRIIH-KQTLUZQSSA-N -1 0 309.450 3.551 20 0 DHADRM CCc1ccc2occ(C(=O)NCc3ccc(C(=O)[O-])cc3)c2c1 ZINC001593640397 953641421 /nfs/dbraw/zinc/64/14/21/953641421.db2.gz ZODIRPLFXDBLLN-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000573743652 953675189 /nfs/dbraw/zinc/67/51/89/953675189.db2.gz WMERIDGZMNDBTR-UHFFFAOYSA-N -1 0 306.406 3.602 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001602961265 971951994 /nfs/dbraw/zinc/95/19/94/971951994.db2.gz UHYHLZCFCDPFOE-UKRRQHHQSA-N -1 0 303.402 3.520 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000579790644 953710682 /nfs/dbraw/zinc/71/06/82/953710682.db2.gz CLOKMXGZTUTPCJ-CYBMUJFWSA-N -1 0 310.369 3.535 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC001594801218 953736473 /nfs/dbraw/zinc/73/64/73/953736473.db2.gz AHAWRRJLZVPJOW-NKWVEPMBSA-N -1 0 320.147 3.572 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC001594801564 953740632 /nfs/dbraw/zinc/74/06/32/953740632.db2.gz GVDHFZXFNQAWDN-DTWKUNHWSA-N -1 0 317.719 3.717 20 0 DHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000597025647 953783213 /nfs/dbraw/zinc/78/32/13/953783213.db2.gz DMLQXIFYUJMHJV-RNFRBKRXSA-N -1 0 322.213 3.527 20 0 DHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000618020522 953788032 /nfs/dbraw/zinc/78/80/32/953788032.db2.gz DBLNGIKFICZSTH-RNFRBKRXSA-N -1 0 322.213 3.527 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)C2(C(=O)[O-])CCCCCC2)[C@@H]1C ZINC001589314315 953818399 /nfs/dbraw/zinc/81/83/99/953818399.db2.gz AGXNWBBAJNKWDD-RBSFLKMASA-N -1 0 309.450 3.600 20 0 DHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000630268211 953849018 /nfs/dbraw/zinc/84/90/18/953849018.db2.gz SAMMOXDNDSJLOU-OAHLLOKOSA-N -1 0 321.392 3.565 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589319936 953850775 /nfs/dbraw/zinc/85/07/75/953850775.db2.gz RYYASRDFMJIJGQ-STQMWFEESA-N -1 0 304.390 3.723 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1 ZINC000630305023 953851662 /nfs/dbraw/zinc/85/16/62/953851662.db2.gz FLVUHOIXUBVILP-NQHOJNORSA-N -1 0 301.386 3.512 20 0 DHADRM C[C@H]1CCCN(C(=O)CC(C)(C)C2CCCCC2)[C@H]1C(=O)[O-] ZINC001589325446 953901770 /nfs/dbraw/zinc/90/17/70/953901770.db2.gz FVCOPZHFVJELOR-XJKSGUPXSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])[C@@H](C(=O)N1CCCc2cc(Cl)ccc21)C1CCCC1 ZINC001594832805 953992537 /nfs/dbraw/zinc/99/25/37/953992537.db2.gz ZTZZFQDHHZCSGF-OAHLLOKOSA-N -1 0 321.804 3.510 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001589347718 954060945 /nfs/dbraw/zinc/06/09/45/954060945.db2.gz HJJYLWIHKGVQSK-GUYCJALGSA-N -1 0 315.413 3.527 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)C3=CCCC3)c2C(=O)[O-])C1 ZINC001589360801 954154131 /nfs/dbraw/zinc/15/41/31/954154131.db2.gz DWQLSYDVNYLTQO-SECBINFHSA-N -1 0 305.399 3.620 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653335798 954168091 /nfs/dbraw/zinc/16/80/91/954168091.db2.gz WZBOHOAXIVGWBZ-VBNZEHGJSA-N -1 0 303.402 3.632 20 0 DHADRM CC(C)[C@@H](CNC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000655573125 954210267 /nfs/dbraw/zinc/21/02/67/954210267.db2.gz JOIBARMYYCEIAP-MRXNPFEDSA-N -1 0 319.445 3.509 20 0 DHADRM Cc1c(Cl)cccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576488 954213894 /nfs/dbraw/zinc/21/38/94/954213894.db2.gz RRRZJKWRWMRWNI-KGYLQXTDSA-N -1 0 323.820 3.514 20 0 DHADRM C[C@@H](NC(=O)CCC1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584461 954225527 /nfs/dbraw/zinc/22/55/27/954225527.db2.gz JVPSEZVPYLBUIA-VHDGCEQUSA-N -1 0 309.450 3.599 20 0 DHADRM CCC1(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCCCC1 ZINC000655900616 954282083 /nfs/dbraw/zinc/28/20/83/954282083.db2.gz UXJDWFKEDPCJQN-HZSPNIEDSA-N -1 0 324.465 3.534 20 0 DHADRM CCC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCC1 ZINC000659405306 954330370 /nfs/dbraw/zinc/33/03/70/954330370.db2.gz GXEUUBOKTMBFHF-INIZCTEOSA-N -1 0 324.465 3.632 20 0 DHADRM O=C([O-])[C@]1(C(=O)Oc2cc(Cl)ccc2Cl)CC=CCC1 ZINC001594879187 954402511 /nfs/dbraw/zinc/40/25/11/954402511.db2.gz VHUFQIKOLZCOFQ-AWEZNQCLSA-N -1 0 315.152 3.710 20 0 DHADRM O=C([O-])C1(CCSc2ncccc2Br)CCC1 ZINC001594879743 954414020 /nfs/dbraw/zinc/41/40/20/954414020.db2.gz SCHNDKWUTZAAGM-UHFFFAOYSA-N -1 0 316.220 3.581 20 0 DHADRM CC[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC000669435387 954571125 /nfs/dbraw/zinc/57/11/25/954571125.db2.gz DPELBIZRZKQCMX-ZFWWWQNUSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)Sc1ccccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676218621 954585304 /nfs/dbraw/zinc/58/53/04/954585304.db2.gz VCIJKUJCGUYSRS-CYBMUJFWSA-N -1 0 321.442 3.514 20 0 DHADRM CC[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001589426405 954626216 /nfs/dbraw/zinc/62/62/16/954626216.db2.gz KBPQBBPOYNCBSM-GJZGRUSLSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001589435055 954681956 /nfs/dbraw/zinc/68/19/56/954681956.db2.gz AHRYJRIYNNZZMP-VIFPVBQESA-N -1 0 324.591 3.582 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001602999650 972037315 /nfs/dbraw/zinc/03/73/15/972037315.db2.gz IUVVRFZCPQFSBT-OLZOCXBDSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001603000300 972039258 /nfs/dbraw/zinc/03/92/58/972039258.db2.gz RICAYRKTTIKFLU-DQOKEGCPSA-N -1 0 319.401 3.712 20 0 DHADRM CC[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001589464739 954892497 /nfs/dbraw/zinc/89/24/97/954892497.db2.gz VUDDJBIQQNKPLE-DAYGRLMNSA-N -1 0 317.429 3.590 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1ccc2nc(C)sc2c1 ZINC001589481065 954972679 /nfs/dbraw/zinc/97/26/79/954972679.db2.gz HLUUZOJPQGCMSN-UHFFFAOYSA-N -1 0 321.398 3.539 20 0 DHADRM CCC(CC)(CNC(=O)N[C@](C)(CC)c1ccccc1)C(=O)[O-] ZINC001589489481 955010004 /nfs/dbraw/zinc/01/00/04/955010004.db2.gz OFEQNUXKKAZEKW-QGZVFWFLSA-N -1 0 320.433 3.502 20 0 DHADRM CC[C@@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)CC(F)(F)F ZINC001589516855 955066495 /nfs/dbraw/zinc/06/64/95/955066495.db2.gz ACBBDHQONGPZEO-LLVKDONJSA-N -1 0 323.355 3.506 20 0 DHADRM CC[C@@H](CNC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC001589546121 955200391 /nfs/dbraw/zinc/20/03/91/955200391.db2.gz PTMSFCQFYWMLDH-NSHDSACASA-N -1 0 318.398 3.647 20 0 DHADRM Cc1oc(C(C)(C)C)cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594506402 955360511 /nfs/dbraw/zinc/36/05/11/955360511.db2.gz NIGPIZPPARYWQT-UHFFFAOYSA-N -1 0 315.369 3.514 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589014635 955423423 /nfs/dbraw/zinc/42/34/23/955423423.db2.gz RSMGKAQNCSFICH-LBPRGKRZSA-N -1 0 319.405 3.650 20 0 DHADRM CCCCN(Cc1cc(C(=O)[O-])ccc1OC)CC(F)(F)F ZINC000387049196 972099654 /nfs/dbraw/zinc/09/96/54/972099654.db2.gz SSMSCQGUTANZSA-UHFFFAOYSA-N -1 0 319.323 3.558 20 0 DHADRM O=C([O-])CCCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000844250597 955667526 /nfs/dbraw/zinc/66/75/26/955667526.db2.gz WOOAWHYOVLQDKU-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM CCc1ccc([C@H](NC(=O)C[C@@H](C)CC(=O)[O-])C(C)C)cc1 ZINC000387410249 972122094 /nfs/dbraw/zinc/12/20/94/972122094.db2.gz DDCFVNRRGSVRSS-FZKQIMNGSA-N -1 0 305.418 3.563 20 0 DHADRM CCN(c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1)C(C)C ZINC000852951382 955874818 /nfs/dbraw/zinc/87/48/18/955874818.db2.gz XQNBNTWVAMJPHI-OAHLLOKOSA-N -1 0 320.433 3.607 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(C2CC2)c1 ZINC001589088417 955918286 /nfs/dbraw/zinc/91/82/86/955918286.db2.gz UWPXJKUBZNFPJI-PXAZEXFGSA-N -1 0 315.413 3.632 20 0 DHADRM CCC(CC)(CNC(=O)CC(C)(C)c1ccc(F)cc1)C(=O)[O-] ZINC000864127750 955951743 /nfs/dbraw/zinc/95/17/43/955951743.db2.gz 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O=C([O-])c1ccc(/C=C\C(=O)OCc2c(F)cccc2Cl)o1 ZINC001594674034 956642668 /nfs/dbraw/zinc/64/26/68/956642668.db2.gz LUNKRKNXNDEAPB-ALCCZGGFSA-N -1 0 324.691 3.527 20 0 DHADRM CC1(C)CC(C(=O)Nc2cncc(C(=O)[O-])c2)CC(C)(C)C1 ZINC001589213426 956715309 /nfs/dbraw/zinc/71/53/09/956715309.db2.gz GBPOFUNDNIGHAQ-UHFFFAOYSA-N -1 0 304.390 3.571 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001589220797 956773061 /nfs/dbraw/zinc/77/30/61/956773061.db2.gz IEHDHDMHYYYPJW-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001589220955 956774706 /nfs/dbraw/zinc/77/47/06/956774706.db2.gz KHVKTBHKFOWTKV-SNAWJCMRSA-N -1 0 319.401 3.714 20 0 DHADRM CC1(C)CCC[C@@H]1CCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589226087 956796972 /nfs/dbraw/zinc/79/69/72/956796972.db2.gz XGHFADZUAFCTAJ-CQSZACIVSA-N -1 0 318.417 3.652 20 0 DHADRM CC1(C)CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC(C)(C)C1 ZINC001589226338 956801058 /nfs/dbraw/zinc/80/10/58/956801058.db2.gz NAAOUASBOVAJHM-WAYWQWQTSA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000389301107 972217376 /nfs/dbraw/zinc/21/73/76/972217376.db2.gz MCFSZIKFFGDQMC-UHFFFAOYSA-N -1 0 317.307 3.683 20 0 DHADRM CC1(CCC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)CC1 ZINC001589239615 956864474 /nfs/dbraw/zinc/86/44/74/956864474.db2.gz PVMKMMIUWYLISU-AWEZNQCLSA-N -1 0 315.413 3.637 20 0 DHADRM O=C([O-])COc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000008907335 956887176 /nfs/dbraw/zinc/88/71/76/956887176.db2.gz RKBGBPFVDUTKCN-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM C[C@H](CC(=O)[O-])Nc1nc(-c2ccccc2)nc2ccccc21 ZINC001603133824 972224632 /nfs/dbraw/zinc/22/46/32/972224632.db2.gz XEKYXRCFZWHSIO-GFCCVEGCSA-N -1 0 307.353 3.572 20 0 DHADRM O=C([O-])c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000013094507 956945100 /nfs/dbraw/zinc/94/51/00/956945100.db2.gz LYAGSMUTKUXZHQ-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3ccccc3C(=O)[O-])coc2c1 ZINC000013165963 956947118 /nfs/dbraw/zinc/94/71/18/956947118.db2.gz CCKNGDHMKYQKRF-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1Cl ZINC000013169884 956953154 /nfs/dbraw/zinc/95/31/54/956953154.db2.gz IYRLHBJQKRGFAM-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM COc1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000013171372 956955123 /nfs/dbraw/zinc/95/51/23/956955123.db2.gz HPJSEJXQORKTTF-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013187015 956969700 /nfs/dbraw/zinc/96/97/00/956969700.db2.gz CZJFZIBHUKDCHV-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM COc1ccc(C(C)C)cc1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000905372852 956974268 /nfs/dbraw/zinc/97/42/68/956974268.db2.gz MNQPJEGMANMDIU-SFHVURJKSA-N -1 0 313.397 3.734 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)c2ccccc2C2CCC2)CC1 ZINC000907615404 956979243 /nfs/dbraw/zinc/97/92/43/956979243.db2.gz JZYLJJLWORRDOW-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013259499 956996852 /nfs/dbraw/zinc/99/68/52/956996852.db2.gz GULISLRIIRZJJH-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM CC1=C(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)CCC1 ZINC001589256839 957004234 /nfs/dbraw/zinc/00/42/34/957004234.db2.gz YJUDMEUCYSEHEN-AWEZNQCLSA-N -1 0 313.397 3.557 20 0 DHADRM O=C([O-])/C=C/c1ccc(Sc2ccccc2F)c([N+](=O)[O-])c1 ZINC000013275739 957007924 /nfs/dbraw/zinc/00/79/24/957007924.db2.gz GNWODQVFXPTVOJ-SOFGYWHQSA-N -1 0 319.313 3.983 20 0 DHADRM CC1(c2ccccc2)CCC(NC(=O)CCCCC(=O)[O-])CC1 ZINC000911596636 957085233 /nfs/dbraw/zinc/08/52/33/957085233.db2.gz XKTCXAJDYUFLNQ-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000911759283 957091797 /nfs/dbraw/zinc/09/17/97/957091797.db2.gz KPWYNXYSSZNNKE-ZFWWWQNUSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])c1ccc(OCCOc2ccc(F)cc2Cl)cc1 ZINC000035731777 957222462 /nfs/dbraw/zinc/22/24/62/957222462.db2.gz BRJMXEKMKBAYAO-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM CC(=O)Nc1ccc(SCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000036811048 957237491 /nfs/dbraw/zinc/23/74/91/957237491.db2.gz QWXBKTUQYASGBG-UHFFFAOYSA-N -1 0 305.355 3.537 20 0 DHADRM O=C([O-])c1cccnc1SCc1cc(-c2cccs2)on1 ZINC000036968551 957249206 /nfs/dbraw/zinc/24/92/06/957249206.db2.gz QZZWBMAHEWSGAS-UHFFFAOYSA-N -1 0 318.379 3.789 20 0 DHADRM CCCCSCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037403638 957276336 /nfs/dbraw/zinc/27/63/36/957276336.db2.gz XRTPEBDQKOGCGR-UHFFFAOYSA-N -1 0 301.795 3.510 20 0 DHADRM O=C([O-])c1ccc(SCc2cc(-c3ccco3)on2)cc1 ZINC000037429636 957284460 /nfs/dbraw/zinc/28/44/60/957284460.db2.gz WLSCRXXNDOPMNY-UHFFFAOYSA-N -1 0 301.323 3.925 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)/C=C/c1ccccc1Cl ZINC000037450674 957293940 /nfs/dbraw/zinc/29/39/40/957293940.db2.gz HLFUWGNUOBIRRC-AATRIKPKSA-N -1 0 307.758 3.752 20 0 DHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000049147575 957475116 /nfs/dbraw/zinc/47/51/16/957475116.db2.gz AVDKNKCOWSVLSW-MRVPVSSYSA-N -1 0 324.789 3.982 20 0 DHADRM COc1ccc(OCCSCc2cccc(C(=O)[O-])c2)cc1 ZINC000058239728 957557589 /nfs/dbraw/zinc/55/75/89/957557589.db2.gz LCWMUMBRTUFXJM-UHFFFAOYSA-N -1 0 318.394 3.706 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CSc1nc2cc(C)ccc2[nH]1 ZINC000061439641 957580635 /nfs/dbraw/zinc/58/06/35/957580635.db2.gz OIELNTXIVGJHNC-UHFFFAOYSA-N -1 0 302.355 3.763 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000061834710 957588527 /nfs/dbraw/zinc/58/85/27/957588527.db2.gz WRTPBKYFFUWDJA-SSDOTTSWSA-N -1 0 323.698 3.798 20 0 DHADRM O=C([O-])c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 ZINC000066144529 957643048 /nfs/dbraw/zinc/64/30/48/957643048.db2.gz WBXSYSVQMHGYFG-UHFFFAOYSA-N -1 0 322.316 3.522 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2c(C)cccc2C)c1 ZINC001594281421 957748947 /nfs/dbraw/zinc/74/89/47/957748947.db2.gz NBFUHYNMPOMGCZ-UHFFFAOYSA-N -1 0 311.381 3.582 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC001594283964 957763357 /nfs/dbraw/zinc/76/33/57/957763357.db2.gz KBPHJAGGPFWHJM-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1 ZINC001594284279 957763482 /nfs/dbraw/zinc/76/34/82/957763482.db2.gz LAOYCQNOKXCWTN-OAHLLOKOSA-N -1 0 315.413 3.736 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001594292981 957840659 /nfs/dbraw/zinc/84/06/59/957840659.db2.gz XFZYYXDAPNRSMU-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(C3CCCC3)c2)cn1 ZINC001574821629 957914090 /nfs/dbraw/zinc/91/40/90/957914090.db2.gz CDZPBFRZSDPGMD-UHFFFAOYSA-N -1 0 311.337 3.657 20 0 DHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1-c1ccncc1 ZINC001594317042 958075900 /nfs/dbraw/zinc/07/59/00/958075900.db2.gz KEXRFXHEGOVPQF-UHFFFAOYSA-N -1 0 312.369 3.641 20 0 DHADRM Cc1cc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)ccc1C(=O)[O-] ZINC001594318353 958097603 /nfs/dbraw/zinc/09/76/03/958097603.db2.gz VUGQSVSIBDKFQB-ZDUSSCGKSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1cc(NC(=O)OC(C)(C)C)cc(NC2CC(C(=O)[O-])C2)c1 ZINC001594323706 958144512 /nfs/dbraw/zinc/14/45/12/958144512.db2.gz UEUUTXCYTUMIGA-UHFFFAOYSA-N -1 0 320.389 3.617 20 0 DHADRM O=C([O-])c1ccc(CSc2nc3ccccc3s2)nc1 ZINC000094756827 958304546 /nfs/dbraw/zinc/30/45/46/958304546.db2.gz GMJDMTXGBDPZBE-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM O=C([O-])c1ccc(CSc2cccc(Br)c2)nc1 ZINC000094757254 958305854 /nfs/dbraw/zinc/30/58/54/958305854.db2.gz FFBJFOVVROAENO-UHFFFAOYSA-N -1 0 324.199 3.835 20 0 DHADRM Cc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC001594347477 958328606 /nfs/dbraw/zinc/32/86/06/958328606.db2.gz QAVNITAKOMNBES-CQSZACIVSA-N -1 0 313.397 3.625 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594349913 958341350 /nfs/dbraw/zinc/34/13/50/958341350.db2.gz QMBFCNFAMQHZNR-CQSZACIVSA-N -1 0 303.402 3.597 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000108247925 958375431 /nfs/dbraw/zinc/37/54/31/958375431.db2.gz XHLVUBGEDBAUKM-UHFFFAOYSA-N -1 0 303.280 3.641 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)c1cn(C(C)C)nn1 ZINC000339961428 1013173917 /nfs/dbraw/zinc/17/39/17/1013173917.db2.gz KFANSTUYBUGRGI-UHFFFAOYSA-N -1 0 324.837 3.877 20 0 DHADRM Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc12 ZINC001594358631 958425558 /nfs/dbraw/zinc/42/55/58/958425558.db2.gz LWYAWBZWWHIFGS-HXUWFJFHSA-N -1 0 323.392 3.576 20 0 DHADRM COc1ccc(F)cc1-c1cncc(CSCCC(=O)[O-])c1 ZINC001594099753 958427795 /nfs/dbraw/zinc/42/77/95/958427795.db2.gz KNVOVJZMNGJTSW-UHFFFAOYSA-N -1 0 321.373 3.604 20 0 DHADRM Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(Cl)c1Cl ZINC001594369329 958530901 /nfs/dbraw/zinc/53/09/01/958530901.db2.gz JWRZVLZTWGULSL-CQSZACIVSA-N -1 0 316.184 3.741 20 0 DHADRM C/C(=C\C(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001573340588 958538120 /nfs/dbraw/zinc/53/81/20/958538120.db2.gz TZMBOORHVNFYLZ-ZRDIBKRKSA-N -1 0 321.804 3.647 20 0 DHADRM COc1ccc2cc(COC(=O)CCCCC(=O)[O-])ccc2c1 ZINC001594118210 958575487 /nfs/dbraw/zinc/57/54/87/958575487.db2.gz BXHJHDLNVFGIGX-UHFFFAOYSA-N -1 0 316.353 3.537 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001588486996 958617658 /nfs/dbraw/zinc/61/76/58/958617658.db2.gz DXMOGDIRGFUFHQ-WQLSENKSSA-N -1 0 323.820 3.703 20 0 DHADRM Cc1ccc2c(ccc(C)c2C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001594381648 958633115 /nfs/dbraw/zinc/63/31/15/958633115.db2.gz UAIOGPUNZMRLRW-MRXNPFEDSA-N -1 0 313.397 3.543 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)c2)c1 ZINC001594385999 958668398 /nfs/dbraw/zinc/66/83/98/958668398.db2.gz MFCYWVDKFBCCCC-AWEZNQCLSA-N -1 0 323.392 3.740 20 0 DHADRM CC(C)(C)C1CCC(OC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001573390420 958692251 /nfs/dbraw/zinc/69/22/51/958692251.db2.gz KTGRLSKOGMZJKD-UHFFFAOYSA-N -1 0 305.374 3.542 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001594388217 958693498 /nfs/dbraw/zinc/69/34/98/958693498.db2.gz QWLQMRGPNXGGCW-SNVBAGLBSA-N -1 0 319.307 3.714 20 0 DHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C(C1CC1)C1CC1 ZINC000931207057 1032068847 /nfs/dbraw/zinc/06/88/47/1032068847.db2.gz ZOQUZJGDRXZEJD-UHFFFAOYSA-N -1 0 314.212 3.960 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@H](F)CC1CCCCC1)C(=O)[O-] ZINC001573395941 958717191 /nfs/dbraw/zinc/71/71/91/958717191.db2.gz QUPGFTCKSOJEJA-KGLIPLIRSA-N -1 0 315.429 3.691 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC001594394551 958759011 /nfs/dbraw/zinc/75/90/11/958759011.db2.gz VATJPAHMKPOYGJ-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM CC(C)(C)CC[C@H](Nc1cnc2cc(F)c(F)cc2n1)C(=O)[O-] ZINC001573423909 958785190 /nfs/dbraw/zinc/78/51/90/958785190.db2.gz DYHXNHNFXXERDQ-NSHDSACASA-N -1 0 323.343 3.599 20 0 DHADRM O=C([O-])[C@H]1C[C@H](NC(=O)OCC2CCCCC2)c2ccccc21 ZINC001605743232 972386716 /nfs/dbraw/zinc/38/67/16/972386716.db2.gz IAHDWOXHPFOSSB-HOTGVXAUSA-N -1 0 317.385 3.606 20 0 DHADRM CC(C)(C)c1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1O ZINC001573463735 958932205 /nfs/dbraw/zinc/93/22/05/958932205.db2.gz MREBCCVJCRVQSX-UHFFFAOYSA-N -1 0 313.353 3.640 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594411168 958949224 /nfs/dbraw/zinc/94/92/24/958949224.db2.gz KPOQWNGLYIOMAY-SQWLQELKSA-N -1 0 317.429 3.591 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594415643 958997310 /nfs/dbraw/zinc/99/73/10/958997310.db2.gz KHBAQWKBWKLQMJ-HNNXBMFYSA-N -1 0 319.445 3.668 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573489483 958998317 /nfs/dbraw/zinc/99/83/17/958998317.db2.gz FQPQYBDZZNJEBN-PMPSAXMXSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1ccccc1N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C(C)C ZINC001594417832 959024209 /nfs/dbraw/zinc/02/42/09/959024209.db2.gz FSDPCCJDAYCCEU-LUAWRHEFSA-N -1 0 313.353 3.741 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001573517073 959107754 /nfs/dbraw/zinc/10/77/54/959107754.db2.gz RNJUDPUMPLIZRH-GOSISDBHSA-N -1 0 309.450 3.718 20 0 DHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CCC1 ZINC001588563073 959110530 /nfs/dbraw/zinc/11/05/30/959110530.db2.gz OQIFEHDYUQFYDB-VIFPVBQESA-N -1 0 307.415 3.700 20 0 DHADRM Cc1ccsc1CCCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594425407 959114937 /nfs/dbraw/zinc/11/49/37/959114937.db2.gz DVXUIJOMVFMVAH-UHFFFAOYSA-N -1 0 323.458 3.673 20 0 DHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1Cl ZINC000160227139 959140871 /nfs/dbraw/zinc/14/08/71/959140871.db2.gz KGKAZAVAPGCVLG-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CSc1cccc(C)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594196811 959201838 /nfs/dbraw/zinc/20/18/38/959201838.db2.gz YNPXUQAWJLMQTB-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)CCCCc1ccc(Cl)cc1)C1CC1 ZINC001588584537 959289934 /nfs/dbraw/zinc/28/99/34/959289934.db2.gz JOFNRWSZYKFOKT-GFCCVEGCSA-N -1 0 323.820 3.517 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573566948 959292846 /nfs/dbraw/zinc/29/28/46/959292846.db2.gz NIIOOAOFCALOFN-HNNXBMFYSA-N -1 0 305.418 3.515 20 0 DHADRM C[C@H](CC(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001573576418 959331587 /nfs/dbraw/zinc/33/15/87/959331587.db2.gz KMZPBYIFWBGZLL-CYBMUJFWSA-N -1 0 303.402 3.608 20 0 DHADRM Cc1nc(CN[C@H](C(=O)[O-])C(C)C)oc1-c1ccc(Cl)cc1 ZINC001594453999 959407303 /nfs/dbraw/zinc/40/73/03/959407303.db2.gz DOFWSSNMCFKGPF-AWEZNQCLSA-N -1 0 322.792 3.502 20 0 DHADRM C[C@H](C(=O)[O-])c1noc([C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC001588602066 959431347 /nfs/dbraw/zinc/43/13/47/959431347.db2.gz CCGRRAYNQUSCFB-NZVBXONLSA-N -1 0 308.337 3.682 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180013244 959434912 /nfs/dbraw/zinc/43/49/12/959434912.db2.gz GWWXRXBKSZJQBZ-QWHCGFSZSA-N -1 0 319.401 3.693 20 0 DHADRM O=C([O-])c1coc(C(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000183796700 959449120 /nfs/dbraw/zinc/44/91/20/959449120.db2.gz XHCRIKHLBOZWCT-UHFFFAOYSA-N -1 0 317.341 3.546 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573610326 959475460 /nfs/dbraw/zinc/47/54/60/959475460.db2.gz GJIPGHNBTDNKHX-CYBMUJFWSA-N -1 0 311.328 3.628 20 0 DHADRM CSc1ccc(C)c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000191310286 959552675 /nfs/dbraw/zinc/55/26/75/959552675.db2.gz BXJNWZPJDMGVIA-UHFFFAOYSA-N -1 0 321.442 3.576 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192967808 959600683 /nfs/dbraw/zinc/60/06/83/959600683.db2.gz NWSPRPPOCJAHCU-WFASDCNBSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000207722469 959665116 /nfs/dbraw/zinc/66/51/16/959665116.db2.gz XUYUTGHOVBWRAT-UITAMQMPSA-N -1 0 315.756 3.999 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCc1cc2ccccc2s1 ZINC001588639249 959672752 /nfs/dbraw/zinc/67/27/52/959672752.db2.gz AJZABEXJUOVEGR-ZDUSSCGKSA-N -1 0 306.383 3.691 20 0 DHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CS[C@H](C)C(=O)[O-] ZINC001594489488 959685587 /nfs/dbraw/zinc/68/55/87/959685587.db2.gz ZOKCDDZMKYKCFF-LLVKDONJSA-N -1 0 324.833 3.600 20 0 DHADRM Cc1c(F)ccc(Cl)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594262392 959707482 /nfs/dbraw/zinc/70/74/82/959707482.db2.gz JNJBBVSREBRSRV-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)(C)/C=C/C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588642902 959709254 /nfs/dbraw/zinc/70/92/54/959709254.db2.gz QSWUUYKEGKNNQM-VNDWYCCKSA-N -1 0 315.413 3.659 20 0 DHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000261976461 1013192597 /nfs/dbraw/zinc/19/25/97/1013192597.db2.gz ZPYKGCQKHYCBLF-LJQANCHMSA-N -1 0 317.429 3.557 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001588646263 959738462 /nfs/dbraw/zinc/73/84/62/959738462.db2.gz UPHAUYCJFYGBJJ-NRXISQOPSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001573711300 959851740 /nfs/dbraw/zinc/85/17/40/959851740.db2.gz LEWSLWOBJQNIQQ-BACITOSSSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1c(Cl)oc2ccccc21 ZINC001588654031 960406884 /nfs/dbraw/zinc/40/68/84/960406884.db2.gz RQXAEBXQQUQOKN-UHFFFAOYSA-N -1 0 323.776 3.659 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)[O-])C1 ZINC001573739111 960476127 /nfs/dbraw/zinc/47/61/27/960476127.db2.gz OHFXVRMWWBWJLK-VIFPVBQESA-N -1 0 307.415 3.700 20 0 DHADRM O=C([O-])c1nc(C(=O)N2CCCCC23CCCCCC3)cs1 ZINC001123400794 960486873 /nfs/dbraw/zinc/48/68/73/960486873.db2.gz YTQXUUIQQJVQKS-UHFFFAOYSA-N -1 0 322.430 3.560 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3cccc(Cl)c3C2)cc1 ZINC001204156435 960602201 /nfs/dbraw/zinc/60/22/01/960602201.db2.gz BWMJRYBHZWHGMI-UHFFFAOYSA-N -1 0 301.773 3.597 20 0 DHADRM CC(C)(C)c1nsc(Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC001213621412 960605423 /nfs/dbraw/zinc/60/54/23/960605423.db2.gz VSAVYKRHIBUACE-UHFFFAOYSA-N -1 0 305.403 3.596 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001573767579 960625492 /nfs/dbraw/zinc/62/54/92/960625492.db2.gz BODYWKHECNCKQO-VUULHSHRSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NCc1cccc(C(F)F)c1 ZINC001605806926 972520607 /nfs/dbraw/zinc/52/06/07/972520607.db2.gz QNGJSUVWIVSRRT-UHFFFAOYSA-N -1 0 320.295 3.644 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001573770810 960669597 /nfs/dbraw/zinc/66/95/97/960669597.db2.gz ZKUZAFYLJWTHHG-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001573775778 960674126 /nfs/dbraw/zinc/67/41/26/960674126.db2.gz BJXSXARCMQEQIL-ZBFHGGJFSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236610772 960715931 /nfs/dbraw/zinc/71/59/31/960715931.db2.gz JNJIEZZDHYRZRU-YJBOKZPZSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)(CNC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001573783564 960717541 /nfs/dbraw/zinc/71/75/41/960717541.db2.gz GIOKOJLENXCQPW-CMDGGOBGSA-N -1 0 317.429 3.632 20 0 DHADRM CC(C)COc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236657743 960726315 /nfs/dbraw/zinc/72/63/15/960726315.db2.gz JXJDHLROHGUHIM-UHFFFAOYSA-N -1 0 313.353 3.672 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC001573785664 960735999 /nfs/dbraw/zinc/73/59/99/960735999.db2.gz WJQOQNFNTPXHNT-UHFFFAOYSA-N -1 0 322.254 3.641 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC000236742054 960747015 /nfs/dbraw/zinc/74/70/15/960747015.db2.gz IHHMUBUBNSCCDP-RISCZKNCSA-N -1 0 305.349 3.701 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCC(=O)[O-])cc1 ZINC000236743123 960749749 /nfs/dbraw/zinc/74/97/49/960749749.db2.gz IJXRZTRDBHKKDE-JLHYYAGUSA-N -1 0 317.429 3.759 20 0 DHADRM CCSCc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000236858169 960779378 /nfs/dbraw/zinc/77/93/78/960779378.db2.gz DLOQOESYEJZHDH-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236961021 960813891 /nfs/dbraw/zinc/81/38/91/960813891.db2.gz RGOXTFVCUXFORW-OAHLLOKOSA-N -1 0 317.772 3.919 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@H](c1ccccc1)C(C)C ZINC000237036521 960847745 /nfs/dbraw/zinc/84/77/45/960847745.db2.gz ADEAFMSKFSLMIZ-ZBFHGGJFSA-N -1 0 305.418 3.528 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC000237091100 960867677 /nfs/dbraw/zinc/86/76/77/960867677.db2.gz SKDRBXLLFQAKME-MRXNPFEDSA-N -1 0 311.447 3.611 20 0 DHADRM Cc1cc(Cl)c(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1F ZINC001574329853 960869311 /nfs/dbraw/zinc/86/93/11/960869311.db2.gz JGLRMNWNRNLWAM-HWKANZROSA-N -1 0 324.691 3.698 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCSc1ccc(C)c(C)c1 ZINC000237094091 960870719 /nfs/dbraw/zinc/87/07/19/960870719.db2.gz LGGNGQGLAKIVBL-QGZVFWFLSA-N -1 0 323.458 3.545 20 0 DHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573809458 960872545 /nfs/dbraw/zinc/87/25/45/960872545.db2.gz ORBIFSDHZUEBNP-UHFFFAOYSA-N -1 0 314.332 3.578 20 0 DHADRM Cc1ccc(NC(=O)C[C@@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC000237434569 960934836 /nfs/dbraw/zinc/93/48/36/960934836.db2.gz ALDWUUZZBOPHPR-GFCCVEGCSA-N -1 0 315.344 3.965 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N1CC(C)(C)C1(C)C)C(=O)[O-] ZINC001319309860 960938722 /nfs/dbraw/zinc/93/87/22/960938722.db2.gz MPACAMJOHSWXTQ-LLVKDONJSA-N -1 0 321.442 3.512 20 0 DHADRM Cc1cccc(F)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001320661508 960981578 /nfs/dbraw/zinc/98/15/78/960981578.db2.gz XGMFQNGMHKTTPV-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001321619269 961000816 /nfs/dbraw/zinc/00/08/16/961000816.db2.gz PAPSAFKDEIPGBF-GJZGRUSLSA-N -1 0 313.328 3.575 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573830879 961018812 /nfs/dbraw/zinc/01/88/12/961018812.db2.gz VZPOEIRUCSPKIU-KBPBESRZSA-N -1 0 303.402 3.639 20 0 DHADRM CCC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573836576 961059343 /nfs/dbraw/zinc/05/93/43/961059343.db2.gz VKDGGSGYOZFDEP-PABFRNLHSA-N -1 0 313.353 3.649 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574373954 961077006 /nfs/dbraw/zinc/07/70/06/961077006.db2.gz HVMKHQOFRURPTN-CABZTGNLSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574373958 961077430 /nfs/dbraw/zinc/07/74/30/961077430.db2.gz HVMKHQOFRURPTN-SKDRFNHKSA-N -1 0 324.808 3.531 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001573841254 961079347 /nfs/dbraw/zinc/07/93/47/961079347.db2.gz RXOFLSVGELQOKN-QGZVFWFLSA-N -1 0 323.437 3.638 20 0 DHADRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616523 1013228347 /nfs/dbraw/zinc/22/83/47/1013228347.db2.gz ZNYWWVOABLVOAV-UHFFFAOYSA-N -1 0 317.357 3.580 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 ZINC001574383475 961124303 /nfs/dbraw/zinc/12/43/03/961124303.db2.gz GHBBYMOSOJVWPK-SFHVURJKSA-N -1 0 323.392 3.741 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)C(CC)(CC)C(=O)[O-] ZINC001573857160 961153049 /nfs/dbraw/zinc/15/30/49/961153049.db2.gz LMQLQAQXEAWUHF-UHFFFAOYSA-N -1 0 305.418 3.625 20 0 DHADRM Cc1cccc2cc(C(=O)NCCCCCCC(=O)[O-])sc21 ZINC001328207320 961197546 /nfs/dbraw/zinc/19/75/46/961197546.db2.gz AETSHJIDTKDXKB-UHFFFAOYSA-N -1 0 319.426 3.975 20 0 DHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(C)cc1C ZINC001573872709 961221341 /nfs/dbraw/zinc/22/13/41/961221341.db2.gz ZICBXWJWALLVEM-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574398106 961222353 /nfs/dbraw/zinc/22/23/53/961222353.db2.gz DGCHAKREXKEQDO-AWEZNQCLSA-N -1 0 310.777 3.583 20 0 DHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000300434175 1013240646 /nfs/dbraw/zinc/24/06/46/1013240646.db2.gz FMEATTPGVTZQNU-ZNWBZCOPSA-N -1 0 318.200 3.697 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC001588809708 961514515 /nfs/dbraw/zinc/51/45/15/961514515.db2.gz UEAPTMOHOUDVES-MRXNPFEDSA-N -1 0 312.369 3.726 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3cc(F)ccc3s2)CCCC1 ZINC000262290711 961622266 /nfs/dbraw/zinc/62/22/66/961622266.db2.gz NDLQNTYSKFDRKM-UHFFFAOYSA-N -1 0 321.373 3.558 20 0 DHADRM CCc1ccc(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1CC ZINC001573953688 961658747 /nfs/dbraw/zinc/65/87/47/961658747.db2.gz FAFWTTLHLGRCTQ-IBGZPJMESA-N -1 0 317.429 3.528 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)c1 ZINC000262700200 961812683 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CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262740071 961840127 /nfs/dbraw/zinc/84/01/27/961840127.db2.gz WGDQHMQPEFJZMO-XIRDDKMYSA-N -1 0 317.429 3.705 20 0 DHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000262829140 961893713 /nfs/dbraw/zinc/89/37/13/961893713.db2.gz BKCBDEBRDQZGCL-SNVBAGLBSA-N -1 0 316.357 3.547 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)Oc1cccc(C(F)(F)F)c1 ZINC001574537642 961922143 /nfs/dbraw/zinc/92/21/43/961922143.db2.gz FMPQUEHXNLOSMB-UHFFFAOYSA-N -1 0 324.254 3.552 20 0 DHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000262863706 961930622 /nfs/dbraw/zinc/93/06/22/961930622.db2.gz BPKNYGQSUDAOAN-HDJSIYSDSA-N -1 0 317.429 3.838 20 0 DHADRM CC(C)CCC1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001588867391 962023382 /nfs/dbraw/zinc/02/33/82/962023382.db2.gz GBORHMJNGOYOIU-VURMDHGXSA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc2ccccc21 ZINC000262951885 962036035 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CCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000263170446 962322830 /nfs/dbraw/zinc/32/28/30/962322830.db2.gz KNWKSJPVNRCXGK-PVAVHDDUSA-N -1 0 317.429 3.530 20 0 DHADRM CCCCSCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263169318 962322977 /nfs/dbraw/zinc/32/29/77/962322977.db2.gz FSYIIKVPGSYEFG-GFCCVEGCSA-N -1 0 309.431 3.737 20 0 DHADRM CC(C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263181800 962336518 /nfs/dbraw/zinc/33/65/18/962336518.db2.gz XAECNPXQCPNJHB-GUYCJALGSA-N -1 0 313.397 3.764 20 0 DHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc2ccccc2c1 ZINC000263183989 962338880 /nfs/dbraw/zinc/33/88/80/962338880.db2.gz XDVDDCOUFAPCTI-KSSFIOAISA-N -1 0 323.392 3.828 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000263185857 962340349 /nfs/dbraw/zinc/34/03/49/962340349.db2.gz SAYMYKQHKKYCDB-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM CCC(CC)[C@H](NC(=O)CCCCC(=O)[O-])c1cccs1 ZINC000263244416 962387663 /nfs/dbraw/zinc/38/76/63/962387663.db2.gz CVXUEQDTRSFWBG-INIZCTEOSA-N -1 0 311.447 3.987 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(o2)CCCC3)c1 ZINC001347546703 962397626 /nfs/dbraw/zinc/39/76/26/962397626.db2.gz FYJJYIMLNAYPIZ-LLVKDONJSA-N -1 0 313.353 3.599 20 0 DHADRM CSc1ccc(NC(=O)[C@H](C)CC(F)(F)F)cc1C(=O)[O-] ZINC001347573198 962404832 /nfs/dbraw/zinc/40/48/32/962404832.db2.gz CZXZBORUJKCQEO-SSDOTTSWSA-N -1 0 321.320 3.634 20 0 DHADRM CCc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)oc1CC ZINC000263291460 962429478 /nfs/dbraw/zinc/42/94/78/962429478.db2.gz MGCXZJMNGDSDCU-NSHDSACASA-N -1 0 315.369 3.845 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263293654 962434445 /nfs/dbraw/zinc/43/44/45/962434445.db2.gz MQYNNLMMTWHGJE-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)CCCCC(=O)[O-])C1 ZINC000263317457 962459175 /nfs/dbraw/zinc/45/91/75/962459175.db2.gz QOUDYJXBVLCTIH-IBGZPJMESA-N -1 0 317.429 3.503 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263343315 962495607 /nfs/dbraw/zinc/49/56/07/962495607.db2.gz SOFPDPZQEAEQRW-ZIAGYGMSSA-N -1 0 321.417 3.655 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)OC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC001588940689 962527431 /nfs/dbraw/zinc/52/74/31/962527431.db2.gz TXOWNTILMUMQAA-KZULUSFZSA-N -1 0 320.385 3.579 20 0 DHADRM Cc1cc(NC(=O)c2cccc(Cl)c2)cc(C(=O)[O-])c1C ZINC000062337854 1013350314 /nfs/dbraw/zinc/35/03/14/1013350314.db2.gz SPLADUWFNGEZJW-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CCCN(CC)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263404174 962566909 /nfs/dbraw/zinc/56/69/09/962566909.db2.gz HHUFNYOPACVCRE-UHFFFAOYSA-N -1 0 311.381 3.924 20 0 DHADRM CC(C)c1ccc2ncnc(N3CCCC[C@@H]3CC(=O)[O-])c2c1 ZINC001588969579 962664516 /nfs/dbraw/zinc/66/45/16/962664516.db2.gz JRGXONPGOOBUOA-CQSZACIVSA-N -1 0 313.401 3.587 20 0 DHADRM O=C([O-])CCCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001574697639 962669887 /nfs/dbraw/zinc/66/98/87/962669887.db2.gz WABKGLQRPSBSJD-LBPRGKRZSA-N -1 0 324.682 3.742 20 0 DHADRM O=C([O-])CCCCC(=O)OCc1ccc(SC(F)F)cc1 ZINC001574699616 962674579 /nfs/dbraw/zinc/67/45/79/962674579.db2.gz MNQWIASTSJWNAN-UHFFFAOYSA-N -1 0 318.341 3.690 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000263557117 962727639 /nfs/dbraw/zinc/72/76/39/962727639.db2.gz ZJYYPCMXICTWFI-JTQLQIEISA-N -1 0 313.781 3.568 20 0 DHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000263574815 962740092 /nfs/dbraw/zinc/74/00/92/962740092.db2.gz NZRIGINMVGEYIT-HXUWFJFHSA-N -1 0 323.392 3.622 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1(C)CC1 ZINC001517413880 962786347 /nfs/dbraw/zinc/78/63/47/962786347.db2.gz AGWIEFXGYIFLDX-CYBMUJFWSA-N -1 0 323.392 3.970 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001588992834 962807121 /nfs/dbraw/zinc/80/71/21/962807121.db2.gz DKEJSKSIOWKQKC-VNQPRFMTSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CC1 ZINC001588994326 962829105 /nfs/dbraw/zinc/82/91/05/962829105.db2.gz PBPPZIKCIHSKPG-SECBINFHSA-N -1 0 307.415 3.700 20 0 DHADRM O=C([O-])[C@H]1CC(F)(F)CN1Cc1ccc(C2CCCC2)cc1 ZINC001552305470 963028091 /nfs/dbraw/zinc/02/80/91/963028091.db2.gz ITXLTAAQKDBFOZ-OAHLLOKOSA-N -1 0 309.356 3.638 20 0 DHADRM CCCc1sc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1CC ZINC000314515187 963763865 /nfs/dbraw/zinc/76/38/65/963763865.db2.gz WYEHJSMIEMIKLB-CYBMUJFWSA-N -1 0 323.458 3.732 20 0 DHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CCCc3sccc32)CCCC1 ZINC000315160876 963862466 /nfs/dbraw/zinc/86/24/66/963862466.db2.gz FYIVWVNYFDMFFJ-CYBMUJFWSA-N -1 0 321.442 3.667 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc(F)cc2O)c1Cl ZINC001210016303 1013474969 /nfs/dbraw/zinc/47/49/69/1013474969.db2.gz IWCVLTINVJNLIW-UHFFFAOYSA-N -1 0 307.083 3.821 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762725 1013538387 /nfs/dbraw/zinc/53/83/87/1013538387.db2.gz ZLASIEWPEOLAGF-LLVKDONJSA-N -1 0 304.777 3.626 20 0 DHADRM O=C(NO[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437646 1013659621 /nfs/dbraw/zinc/65/96/21/1013659621.db2.gz AIFPAVNIAXPSMV-NSHDSACASA-N -1 0 305.161 3.573 20 0 DHADRM C[C@H](CCC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262939194 967831979 /nfs/dbraw/zinc/83/19/79/967831979.db2.gz CCTXYKCPPHLDJB-CQSZACIVSA-N -1 0 311.381 3.585 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000322119288 968017268 /nfs/dbraw/zinc/01/72/68/968017268.db2.gz LJSBWBVBACIUKU-OAHLLOKOSA-N -1 0 317.429 3.602 20 0 DHADRM CCc1onc(C)c1NC(=O)c1nc(-c2ccccc2)oc1C ZINC000340428103 1013772129 /nfs/dbraw/zinc/77/21/29/1013772129.db2.gz MDRSLAMNSBQPPP-UHFFFAOYSA-N -1 0 311.341 3.761 20 0 DHADRM CCc1ccc(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237159555 1013773633 /nfs/dbraw/zinc/77/36/33/1013773633.db2.gz HMAJAQLJBWYVKO-FMIVXFBMSA-N -1 0 309.365 3.528 20 0 DHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000387216943 968145454 /nfs/dbraw/zinc/14/54/54/968145454.db2.gz KRQOQCJILWWXOT-HNNXBMFYSA-N -1 0 320.433 3.642 20 0 DHADRM 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DHADRM CC(C)Oc1ccc(NC(=O)C[C@H]2C=CCCC2)c(C(=O)[O-])c1 ZINC001591781376 975953546 /nfs/dbraw/zinc/95/35/46/975953546.db2.gz YSDFWMRLXOLZCX-ZDUSSCGKSA-N -1 0 317.385 3.857 20 0 DHADRM CCc1ccc([C@H](NC(=O)NCCCCC(=O)[O-])C(C)C)cc1 ZINC000666514061 975964852 /nfs/dbraw/zinc/96/48/52/975964852.db2.gz IIYPLOZGGIYUCN-QGZVFWFLSA-N -1 0 320.433 3.500 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)NCCCCC(=O)[O-])c2ccccc21 ZINC000666558537 975972054 /nfs/dbraw/zinc/97/20/54/975972054.db2.gz GOFKPOFVTUISRV-AWEZNQCLSA-N -1 0 318.417 3.601 20 0 DHADRM O=C([O-])CCc1cccc(NCc2nc3c(s2)CCCC3)c1 ZINC000666588564 975976817 /nfs/dbraw/zinc/97/68/17/975976817.db2.gz ARDAFRKNTUAPAC-UHFFFAOYSA-N -1 0 316.426 3.651 20 0 DHADRM CC(C)Oc1cccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001591795661 975999439 /nfs/dbraw/zinc/99/94/39/975999439.db2.gz BZSGSEDEWVPNFD-INIZCTEOSA-N -1 0 303.333 3.851 20 0 DHADRM CC(C)Oc1ccccc1-c1cc(CC(C)(C)C(=O)[O-])on1 ZINC001591795687 976000528 /nfs/dbraw/zinc/00/05/28/976000528.db2.gz 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ZINC001592121554 976931009 /nfs/dbraw/zinc/93/10/09/976931009.db2.gz VRGALTQHYOIIAP-UHFFFAOYSA-N -1 0 323.352 3.568 20 0 DHADRM CC(C)n1cc(CNc2cccc3cc(C(=O)[O-])sc32)cn1 ZINC001592127012 976955052 /nfs/dbraw/zinc/95/50/52/976955052.db2.gz UCSQKURQWMNRRI-UHFFFAOYSA-N -1 0 315.398 3.989 20 0 DHADRM C[C@H](C1CC1)n1cc(N[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592180372 977091854 /nfs/dbraw/zinc/09/18/54/977091854.db2.gz AICMMKFKDKJQQN-BMIGLBTASA-N -1 0 319.792 3.745 20 0 DHADRM c1ccc(-c2cncc(-c3nn[nH]n3)c2)c(OC2CCCCC2)c1 ZINC000665137358 1014390547 /nfs/dbraw/zinc/39/05/47/1014390547.db2.gz AWOWDIGBBRESIX-UHFFFAOYSA-N -1 0 321.384 3.640 20 0 DHADRM CCCC[C@@H](C(=O)[O-])N(C)Cc1cscc1Br ZINC000709850973 977471743 /nfs/dbraw/zinc/47/17/43/977471743.db2.gz QXXWYVXSJLAJSY-NSHDSACASA-N -1 0 320.252 3.586 20 0 DHADRM C[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)CC(C)(C)C ZINC001592254369 977489359 /nfs/dbraw/zinc/48/93/59/977489359.db2.gz HAQJHKKNYVYHIS-IUODEOHRSA-N -1 0 323.408 3.573 20 0 DHADRM C[C@@H](CC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001592273964 977545552 /nfs/dbraw/zinc/54/55/52/977545552.db2.gz HWMOPHXIGFBYDB-VIFPVBQESA-N -1 0 303.383 3.974 20 0 DHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccco1 ZINC001592277915 977557547 /nfs/dbraw/zinc/55/75/47/977557547.db2.gz JPPSNSYZTNZTDK-VIFPVBQESA-N -1 0 319.382 3.660 20 0 DHADRM O=C([O-])c1cc(Cn2cc(-c3cccc(C4CCC4)c3)cn2)on1 ZINC000580903056 1014433652 /nfs/dbraw/zinc/43/36/52/1014433652.db2.gz OAEXOAAEBGZUAP-UHFFFAOYSA-N -1 0 323.352 3.552 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1c2ccccc2C(C)(C)C[C@@H]1C ZINC001592375739 977912817 /nfs/dbraw/zinc/91/28/17/977912817.db2.gz UYGNZSCJLWBYTM-STQMWFEESA-N -1 0 303.402 3.590 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001592385154 977925082 /nfs/dbraw/zinc/92/50/82/977925082.db2.gz HBTIQKYJVYSUKX-ZUEVXXBESA-N -1 0 317.429 3.563 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001592385414 977928744 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O=C([O-])C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1cccc(Cl)c1 ZINC000776674003 978768718 /nfs/dbraw/zinc/76/87/18/978768718.db2.gz XUMMSAHAYWEZRT-KBPBESRZSA-N -1 0 321.804 3.552 20 0 DHADRM CC(C)CCCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000777367753 978776773 /nfs/dbraw/zinc/77/67/73/978776773.db2.gz KJTVZYSVOULPME-QGZVFWFLSA-N -1 0 317.429 3.804 20 0 DHADRM CC(C)CCCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000777367749 978776800 /nfs/dbraw/zinc/77/68/00/978776800.db2.gz KJTVZYSVOULPME-KRWDZBQOSA-N -1 0 317.429 3.804 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc2cc(F)ccc2c1C ZINC000808508778 978851961 /nfs/dbraw/zinc/85/19/61/978851961.db2.gz IQUSKTYFKKFFEE-MRXNPFEDSA-N -1 0 323.389 3.722 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCCc3ccccc32)c1 ZINC000811812294 978856090 /nfs/dbraw/zinc/85/60/90/978856090.db2.gz PINXCWGZIWZBGN-UHFFFAOYSA-N -1 0 315.756 3.631 20 0 DHADRM Cc1cc(C)cc(N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811815728 978859245 /nfs/dbraw/zinc/85/92/45/978859245.db2.gz 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979160453 /nfs/dbraw/zinc/16/04/53/979160453.db2.gz GAGWQIQENGCYTH-CQSZACIVSA-N -1 0 315.413 3.569 20 0 DHADRM CC[C@@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001595033618 979176266 /nfs/dbraw/zinc/17/62/66/979176266.db2.gz OCJJPDFCZNBTQV-AWEZNQCLSA-N -1 0 323.392 3.858 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)C(C)(C)C ZINC001595033484 979176477 /nfs/dbraw/zinc/17/64/77/979176477.db2.gz LCWMOZIVZSTTNJ-CZUORRHYSA-N -1 0 323.408 3.838 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595036175 979191596 /nfs/dbraw/zinc/19/15/96/979191596.db2.gz OOGZSHJDHNAWPF-VBNZEHGJSA-N -1 0 303.402 3.886 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595036223 979191846 /nfs/dbraw/zinc/19/18/46/979191846.db2.gz PNCZQSIBXSKHTR-RDTXWAMCSA-N -1 0 305.418 3.565 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001595036819 979199937 /nfs/dbraw/zinc/19/99/37/979199937.db2.gz ZCNPCNQXXXSYQN-UGUYLWEFSA-N -1 0 309.450 3.551 20 0 DHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1 ZINC000558047641 1014557291 /nfs/dbraw/zinc/55/72/91/1014557291.db2.gz QDMGOUKLFIQJSY-ZZXKWVIFSA-N -1 0 303.383 3.529 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595041093 979221126 /nfs/dbraw/zinc/22/11/26/979221126.db2.gz DVMOWEPCIDOGJT-SNVBAGLBSA-N -1 0 314.328 3.636 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1cscc1C(F)F ZINC000909463997 1014558644 /nfs/dbraw/zinc/55/86/44/1014558644.db2.gz YELCGLNEOJDRFX-UHFFFAOYSA-N -1 0 319.373 3.841 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001595041812 979229674 /nfs/dbraw/zinc/22/96/74/979229674.db2.gz XLIVDXRTIBZUMY-ZETCQYMHSA-N -1 0 306.692 3.625 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001595042781 979238512 /nfs/dbraw/zinc/23/85/12/979238512.db2.gz UJWJSWCHTNSMSB-QMMMGPOBSA-N -1 0 320.719 3.763 20 0 DHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)c1nc2ccccc2o1 ZINC001595047660 979258048 /nfs/dbraw/zinc/25/80/48/979258048.db2.gz CPQMEGLKWRAYNR-LLVKDONJSA-N -1 0 319.357 3.713 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(SC)cc1 ZINC001595050155 979277118 /nfs/dbraw/zinc/27/71/18/979277118.db2.gz KZESJJQZHRNIHR-UHFFFAOYSA-N -1 0 310.419 3.564 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C\C2CCCCC2)cc1 ZINC000840944629 979283675 /nfs/dbraw/zinc/28/36/75/979283675.db2.gz LHOACIRYYYYQDO-FFXRNRBCSA-N -1 0 301.386 3.950 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595057948 979304742 /nfs/dbraw/zinc/30/47/42/979304742.db2.gz VKRIPTNMNRQDFS-ZDUSSCGKSA-N -1 0 321.417 3.544 20 0 DHADRM CCC(CC)(CC)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595060154 979313743 /nfs/dbraw/zinc/31/37/43/979313743.db2.gz BWHFCZYHCLSRQA-LSDHHAIUSA-N -1 0 318.417 3.965 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(C(F)F)cc1 ZINC000909466194 1014566519 /nfs/dbraw/zinc/56/65/19/1014566519.db2.gz FZOMQVPCOSIQRF-UHFFFAOYSA-N -1 0 313.344 3.779 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CC2(CCC2)C1)c1cccc(Cl)c1 ZINC000844155228 979343107 /nfs/dbraw/zinc/34/31/07/979343107.db2.gz NPGJJTKTSHMSSV-CQSZACIVSA-N -1 0 321.804 3.552 20 0 DHADRM CCC(CC)(NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001595091036 979385096 /nfs/dbraw/zinc/38/50/96/979385096.db2.gz ZORQVEYFCUQJRD-UHFFFAOYSA-N -1 0 317.429 3.646 20 0 DHADRM C[C@@H](COc1cn(-c2ccccc2)nc1C(=O)[O-])C(C)(C)C ZINC001592788759 979430621 /nfs/dbraw/zinc/43/06/21/979430621.db2.gz YSIXMDPNOJRICH-LBPRGKRZSA-N -1 0 302.374 3.632 20 0 DHADRM CCC(CC)CC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595109454 979441809 /nfs/dbraw/zinc/44/18/09/979441809.db2.gz AXOIFRMHWFOFIC-YJYMSZOUSA-N -1 0 317.429 3.806 20 0 DHADRM CCC(CC)CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595110086 979451631 /nfs/dbraw/zinc/45/16/31/979451631.db2.gz XFTZLQUNKBIQAI-SFHVURJKSA-N -1 0 313.397 3.908 20 0 DHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595125973 979513370 /nfs/dbraw/zinc/51/33/70/979513370.db2.gz BMOXRFGEINWHGW-AWEZNQCLSA-N -1 0 324.421 3.599 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595126441 979518236 /nfs/dbraw/zinc/51/82/36/979518236.db2.gz UCVUOIBPIWPORZ-CQSZACIVSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@H]1CN(C(=O)c2cccc(C3CCCC3)c2)CC[C@H]1C(=O)[O-] ZINC000851606815 979531995 /nfs/dbraw/zinc/53/19/95/979531995.db2.gz XQWNYRLSJNPXKQ-SUMWQHHRSA-N -1 0 315.413 3.527 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851623874 979560334 /nfs/dbraw/zinc/56/03/34/979560334.db2.gz LFSCUUSBVDRUJS-PKNBQFBNSA-N -1 0 307.390 3.666 20 0 DHADRM CC[C@](CNC(=O)/C(C)=C/C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135303 979573871 /nfs/dbraw/zinc/57/38/71/979573871.db2.gz OFMKTXFQIZOCLL-XYDKVEKUSA-N -1 0 317.429 3.528 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000852938436 979585590 /nfs/dbraw/zinc/58/55/90/979585590.db2.gz IOBRJYANYZULQN-ZWKOTPCHSA-N -1 0 323.392 3.836 20 0 DHADRM CCCCCC(C)(C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852956199 979589182 /nfs/dbraw/zinc/58/91/82/979589182.db2.gz GZKJFGNMFABQJD-MRXNPFEDSA-N -1 0 317.429 3.804 20 0 DHADRM CC[C@@H](CNC(=O)CC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC001595140267 979600338 /nfs/dbraw/zinc/60/03/38/979600338.db2.gz JLXGEVHGWQGKGI-SLTAFYQDSA-N -1 0 311.466 3.846 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000864105207 979692227 /nfs/dbraw/zinc/69/22/27/979692227.db2.gz OSECPZYTRBOXRV-HJWRWDBZSA-N -1 0 317.385 3.562 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)NCCCC(C)(C)C)cc1)C(=O)[O-] ZINC001592872709 979731717 /nfs/dbraw/zinc/73/17/17/979731717.db2.gz OIRIWCQNTOGODE-ZDUSSCGKSA-N -1 0 320.433 3.898 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1)C(=O)[O-] ZINC001592873074 979734037 /nfs/dbraw/zinc/73/40/37/979734037.db2.gz QSLDYZWEQUIPDT-STQMWFEESA-N -1 0 318.417 3.650 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592876657 979740973 /nfs/dbraw/zinc/74/09/73/979740973.db2.gz BXJOAWPWAZDXEB-AUUYWEPGSA-N -1 0 309.409 3.919 20 0 DHADRM C[C@@H](Cc1ccc(NCc2ccc(O)c(F)c2F)cc1)C(=O)[O-] ZINC001592876827 979741649 /nfs/dbraw/zinc/74/16/49/979741649.db2.gz DDDYOBXSUUXXEH-JTQLQIEISA-N -1 0 321.323 3.546 20 0 DHADRM C[C@@H](Cc1ccc(NCCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001592876846 979741918 /nfs/dbraw/zinc/74/19/18/979741918.db2.gz DHECYPJOQINWLU-LBPRGKRZSA-N -1 0 319.351 3.883 20 0 DHADRM C[C@@H](Cc1ccc(NCCCC2CCOCC2)cc1)C(=O)[O-] ZINC001592877361 979743835 /nfs/dbraw/zinc/74/38/35/979743835.db2.gz KNPHZNGIVZOKKI-AWEZNQCLSA-N -1 0 305.418 3.569 20 0 DHADRM CC[C@H](CNc1cccc(C(=O)[O-])n1)Oc1ccccc1Cl ZINC001595172644 979744463 /nfs/dbraw/zinc/74/44/63/979744463.db2.gz KJMSMBCZMFUVBJ-LLVKDONJSA-N -1 0 320.776 3.703 20 0 DHADRM C[C@@H](Cc1ccc(NCCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC001592878251 979749545 /nfs/dbraw/zinc/74/95/45/979749545.db2.gz YKMRYWQVNNFVHN-LBPRGKRZSA-N -1 0 319.351 3.883 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC000864154529 979765798 /nfs/dbraw/zinc/76/57/98/979765798.db2.gz KCZBVHVVPCBGPC-MRXNPFEDSA-N -1 0 315.413 3.736 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC3(CCCC3)CC2)c1 ZINC000864155908 979767429 /nfs/dbraw/zinc/76/74/29/979767429.db2.gz LOMGVLLFXOTNII-SNAWJCMRSA-N -1 0 317.385 3.564 20 0 DHADRM C[C@@H](Cc1cccc(F)c1)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592885453 979769953 /nfs/dbraw/zinc/76/99/53/979769953.db2.gz NUTSOBWOCBQHGC-ZDUSSCGKSA-N -1 0 301.361 3.886 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC000864194532 979853624 /nfs/dbraw/zinc/85/36/24/979853624.db2.gz FUOHYSRAJOTSKI-UHFFFAOYSA-N -1 0 317.385 3.700 20 0 DHADRM CCCCS[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228715 979921490 /nfs/dbraw/zinc/92/14/90/979921490.db2.gz FWCSRGACPBTYQY-ZFWWWQNUSA-N -1 0 323.458 3.549 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001595210111 979983423 /nfs/dbraw/zinc/98/34/23/979983423.db2.gz CDPWJHITKMZSIU-HNNXBMFYSA-N -1 0 311.381 3.901 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595210355 979983446 /nfs/dbraw/zinc/98/34/46/979983446.db2.gz DPQAUQWEWUBEML-HNNXBMFYSA-N -1 0 323.392 3.543 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595210657 979985028 /nfs/dbraw/zinc/98/50/28/979985028.db2.gz ILSPHDCWPDIDAZ-HOTGVXAUSA-N -1 0 319.445 3.569 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595210956 979986835 /nfs/dbraw/zinc/98/68/35/979986835.db2.gz NCSVPCVZWUDGKP-OAHLLOKOSA-N -1 0 311.381 3.901 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595211148 979988921 /nfs/dbraw/zinc/98/89/21/979988921.db2.gz QGSYGEDZCWPOOK-ZDUSSCGKSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@H](Cc1ccccc1C)C(=O)N(CCC(=O)[O-])CC(C)C ZINC001595218636 980034224 /nfs/dbraw/zinc/03/42/24/980034224.db2.gz KKFGFAVJOOMUNC-MRXNPFEDSA-N -1 0 319.445 3.523 20 0 DHADRM CC[C@@](NC(=O)C(C)=C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232732 980125844 /nfs/dbraw/zinc/12/58/44/980125844.db2.gz GPNGYDGGTVPIPZ-INIZCTEOSA-N -1 0 309.793 3.502 20 0 DHADRM CC[C@](NC(=O)[C@H](C)CCC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595232900 980128195 /nfs/dbraw/zinc/12/81/95/980128195.db2.gz LWUIPLJXLSJMHE-AUUYWEPGSA-N -1 0 319.445 3.955 20 0 DHADRM CC[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccc2ccccc21 ZINC001595238463 980154974 /nfs/dbraw/zinc/15/49/74/980154974.db2.gz LHPNJCHIEMEQGO-GUYCJALGSA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@@](NC(=O)c1ccc(C2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001595269227 980284489 /nfs/dbraw/zinc/28/44/89/980284489.db2.gz UGLQQVMYEMACPQ-FQEVSTJZSA-N -1 0 323.392 3.684 20 0 DHADRM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1F ZINC001595277456 980306596 /nfs/dbraw/zinc/30/65/96/980306596.db2.gz VFEGRNIUCQFKMO-HOTGVXAUSA-N -1 0 323.314 3.971 20 0 DHADRM CO[C@H](CNc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000901514146 980329771 /nfs/dbraw/zinc/32/97/71/980329771.db2.gz ROKRCWROOXPIGD-MRXNPFEDSA-N -1 0 305.418 3.666 20 0 DHADRM O=C([O-])c1c[nH]c2cc(N[C@H]3CCOC4(CCCC4)C3)ccc21 ZINC000901541381 980369615 /nfs/dbraw/zinc/36/96/15/980369615.db2.gz WATWDQDBSBAZQD-ZDUSSCGKSA-N -1 0 314.385 3.770 20 0 DHADRM O=C([O-])CCc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000901639050 980420039 /nfs/dbraw/zinc/42/00/39/980420039.db2.gz IXQADYMMKAYLOO-KRWDZBQOSA-N -1 0 324.424 3.642 20 0 DHADRM CC[C@H](Nc1cc(CCOC)ccn1)c1ccc(C(=O)[O-])cc1 ZINC001595316857 980486629 /nfs/dbraw/zinc/48/66/29/980486629.db2.gz JHUNWMYEKYHREX-INIZCTEOSA-N -1 0 314.385 3.532 20 0 DHADRM CC[C@H](Nc1ccc(Oc2ccccc2OC)cc1)C(=O)[O-] ZINC001595318430 980500803 /nfs/dbraw/zinc/50/08/03/980500803.db2.gz LFSZFPNQUUOSCG-AWEZNQCLSA-N -1 0 301.342 3.763 20 0 DHADRM Cc1nn(C(C)C)cc1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901813198 980534140 /nfs/dbraw/zinc/53/41/40/980534140.db2.gz ALPHJTRCZZIYAR-GFCCVEGCSA-N -1 0 301.390 3.573 20 0 DHADRM Cc1ccc([C@H](NCc2csc(C3CC3)n2)C(=O)[O-])cc1C ZINC000901844611 980566570 /nfs/dbraw/zinc/56/65/70/980566570.db2.gz NCFPQWALDXVNAU-HNNXBMFYSA-N -1 0 316.426 3.553 20 0 DHADRM CC[C@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595336998 980598107 /nfs/dbraw/zinc/59/81/07/980598107.db2.gz OZFXAEZIGNNNDZ-XCBNKYQSSA-N -1 0 305.157 3.503 20 0 DHADRM CC[C@H](OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595339068 980612066 /nfs/dbraw/zinc/61/20/66/980612066.db2.gz ZTHVFOUEUPLLBV-CABZTGNLSA-N -1 0 318.291 3.605 20 0 DHADRM CC[C@H](OC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cn1 ZINC001595347363 980640439 /nfs/dbraw/zinc/64/04/39/980640439.db2.gz CLEZIZSRHXZETO-HNNXBMFYSA-N -1 0 317.316 3.535 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cnc(-c2cccs2)s1 ZINC000902018778 980695267 /nfs/dbraw/zinc/69/52/67/980695267.db2.gz BZMSJHOHIQWQCU-LBPRGKRZSA-N -1 0 324.471 3.803 20 0 DHADRM CCc1oc(CNc2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000902055495 980714864 /nfs/dbraw/zinc/71/48/64/980714864.db2.gz BNQJEWAFLJFTAT-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc2c(c1)OCCCO2 ZINC000902069106 980719046 /nfs/dbraw/zinc/71/90/46/980719046.db2.gz HVKXXNJIVMUWBR-GFCCVEGCSA-N -1 0 307.390 3.539 20 0 DHADRM CCc1oc(CNCc2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000902096808 980732262 /nfs/dbraw/zinc/73/22/62/980732262.db2.gz GSPMNMZLAHVXEP-UHFFFAOYSA-N -1 0 317.385 3.617 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cccc(OC(F)F)c1 ZINC000902099485 980733838 /nfs/dbraw/zinc/73/38/38/980733838.db2.gz XDTGBDTZYJMQHT-SNVBAGLBSA-N -1 0 301.333 3.979 20 0 DHADRM CC[C@@H](SC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595358596 980733955 /nfs/dbraw/zinc/73/39/55/980733955.db2.gz NYPJTYBKUQTNAR-CQSZACIVSA-N -1 0 303.383 3.618 20 0 DHADRM CCc1oc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000902108077 980737942 /nfs/dbraw/zinc/73/79/42/980737942.db2.gz JMJVOWHTAPUFFN-GWCFXTLKSA-N -1 0 303.358 3.546 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595359109 980738406 /nfs/dbraw/zinc/73/84/06/980738406.db2.gz XOZQDZSUWMVEQT-KBPBESRZSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@@H](Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001595359208 980738923 /nfs/dbraw/zinc/73/89/23/980738923.db2.gz SJLIHJJDHSZJQA-CQSZACIVSA-N -1 0 304.415 3.951 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001595359171 980739156 /nfs/dbraw/zinc/73/91/56/980739156.db2.gz QRRFPGGASFZSIU-GFCCVEGCSA-N -1 0 321.423 3.956 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C=C1CCCCC1 ZINC001595360786 980755185 /nfs/dbraw/zinc/75/51/85/980755185.db2.gz AGYOKTWXNVVJTN-QGZVFWFLSA-N -1 0 315.413 3.941 20 0 DHADRM CCC(C)(C)NC(=O)c1ccc(NCCC(C)(C)C(=O)[O-])cc1 ZINC000902149849 980758287 /nfs/dbraw/zinc/75/82/87/980758287.db2.gz GQACGZNSQGWBBL-UHFFFAOYSA-N -1 0 320.433 3.518 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccsc1C ZINC001595361103 980758555 /nfs/dbraw/zinc/75/85/55/980758555.db2.gz RXGLNHCCFLBCGH-HNNXBMFYSA-N -1 0 317.410 3.735 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C(F)=C1CCCC1 ZINC001595361797 980765122 /nfs/dbraw/zinc/76/51/22/980765122.db2.gz PCHNZBQGELKLTE-OAHLLOKOSA-N -1 0 319.376 3.849 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001595361987 980767140 /nfs/dbraw/zinc/76/71/40/980767140.db2.gz SUKMIPURFSHNFW-MRXNPFEDSA-N -1 0 315.413 3.631 20 0 DHADRM Cc1csc(-c2ccc(N[C@H](C)[C@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC000902196938 980778672 /nfs/dbraw/zinc/77/86/72/980778672.db2.gz AMXQVKUGVIUJNN-LERXQTSPSA-N -1 0 302.399 3.640 20 0 DHADRM CC[C@H](c1nnc(SCC(C)(C)C(=O)[O-])o1)c1ccccc1 ZINC001595363812 980786724 /nfs/dbraw/zinc/78/67/24/980786724.db2.gz IZNGDSQLYYGZJX-LBPRGKRZSA-N -1 0 320.414 3.814 20 0 DHADRM CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccccc1C(=O)[O-] ZINC001595364711 980796968 /nfs/dbraw/zinc/79/69/68/980796968.db2.gz WJJDNIMQRPEBDO-KKSFZXQISA-N -1 0 302.395 3.785 20 0 DHADRM CCc1oc(CN2Cc3cccc(Cl)c3C2)cc1C(=O)[O-] ZINC000902260440 980804390 /nfs/dbraw/zinc/80/43/90/980804390.db2.gz AZJBPUGHPUIYST-UHFFFAOYSA-N -1 0 305.761 3.709 20 0 DHADRM COc1cc(OC)c(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1F ZINC000902323031 980831497 /nfs/dbraw/zinc/83/14/97/980831497.db2.gz QHDOZXFMNLECMH-SNVBAGLBSA-N -1 0 313.369 3.534 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1C(=O)[O-] ZINC000902366661 980855793 /nfs/dbraw/zinc/85/57/93/980855793.db2.gz BLGMLMSBZVLOLY-AWEZNQCLSA-N -1 0 311.381 3.503 20 0 DHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595373176 980870038 /nfs/dbraw/zinc/87/00/38/980870038.db2.gz DRPBESYGKVXYNO-VVLHAWIVSA-N -1 0 317.429 3.880 20 0 DHADRM C[C@H](Nc1cccc(Cl)c1OCC(F)F)[C@H]1C[C@H]1C(=O)[O-] ZINC000902436279 980885234 /nfs/dbraw/zinc/88/52/34/980885234.db2.gz PTEMCYMKGRYHFT-DJLDLDEBSA-N -1 0 319.735 3.505 20 0 DHADRM CCC1(CC)CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595375015 980890483 /nfs/dbraw/zinc/89/04/83/980890483.db2.gz KOQOEOHLDQRRGR-UHFFFAOYSA-N -1 0 318.417 3.890 20 0 DHADRM CCC1(CC)CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595375964 980901427 /nfs/dbraw/zinc/90/14/27/980901427.db2.gz ZLCOLVNRMQURBB-UHFFFAOYSA-N -1 0 315.373 3.520 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCOC3)C1 ZINC000902476077 980903186 /nfs/dbraw/zinc/90/31/86/980903186.db2.gz OBLPGXDLGIVWAD-WMLDXEAASA-N -1 0 317.429 3.985 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCOC3)C1 ZINC000902476078 980903531 /nfs/dbraw/zinc/90/35/31/980903531.db2.gz OBLPGXDLGIVWAD-YOEHRIQHSA-N -1 0 317.429 3.985 20 0 DHADRM Cc1cc(CNC2(c3c(F)cccc3F)CCC2)oc1C(=O)[O-] ZINC000902489629 980907939 /nfs/dbraw/zinc/90/79/39/980907939.db2.gz DDWXKVMNAFNRJK-UHFFFAOYSA-N -1 0 321.323 3.733 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCC1 ZINC001595378555 980915033 /nfs/dbraw/zinc/91/50/33/980915033.db2.gz FWJWABLTADIAMC-UHFFFAOYSA-N -1 0 322.380 3.545 20 0 DHADRM CC(C)c1c[nH]c(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC000902564519 980933735 /nfs/dbraw/zinc/93/37/35/980933735.db2.gz BLKKTCQUWIGBSV-GOSISDBHSA-N -1 0 323.396 3.602 20 0 DHADRM COC1(C[C@H](C)Nc2ccc(SC)c(C(=O)[O-])c2)CCC1 ZINC000902568517 980937659 /nfs/dbraw/zinc/93/76/59/980937659.db2.gz ZNGGKPZMIZHPKZ-NSHDSACASA-N -1 0 309.431 3.866 20 0 DHADRM CCC1(c2noc(Cc3ccccc3C(=O)[O-])n2)CCCC1 ZINC001595399520 980971642 /nfs/dbraw/zinc/97/16/42/980971642.db2.gz PQZICYSYYXFDLV-UHFFFAOYSA-N -1 0 300.358 3.580 20 0 DHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595404984 980984333 /nfs/dbraw/zinc/98/43/33/980984333.db2.gz NSLJBYQTCGBKSI-MEBBXXQBSA-N -1 0 315.373 3.518 20 0 DHADRM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595415579 981028662 /nfs/dbraw/zinc/02/86/62/981028662.db2.gz HBHLNRKKQSUICN-ONGXEEELSA-N -1 0 308.353 3.627 20 0 DHADRM O=C([O-])c1ccc(CN(CC(F)F)C2CCC2)c2ncccc12 ZINC000903912829 981035407 /nfs/dbraw/zinc/03/54/07/981035407.db2.gz JGCAQRUBLIUERU-UHFFFAOYSA-N -1 0 320.339 3.553 20 0 DHADRM CC[C@@H](CC(=O)NC1(C(=O)[O-])CCC(CC)CC1)C(C)(C)C ZINC001595420831 981039012 /nfs/dbraw/zinc/03/90/12/981039012.db2.gz LHFPNFPHICQAGS-FVRSWCFKSA-N -1 0 311.466 3.989 20 0 DHADRM CCC1CCC(NC(=O)/C=C(/C)c2ccccc2)(C(=O)[O-])CC1 ZINC001595421035 981040034 /nfs/dbraw/zinc/04/00/34/981040034.db2.gz XWCOLFVMLLFCSQ-YPKPFQOOSA-N -1 0 315.413 3.630 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595434921 981060724 /nfs/dbraw/zinc/06/07/24/981060724.db2.gz CKLBCSLIBYMQOE-KBXCAEBGSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435516 981064806 /nfs/dbraw/zinc/06/48/06/981064806.db2.gz KTTALOWAJIROPG-CVEARBPZSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@H]1CCC[C@@H]1C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595435508 981065045 /nfs/dbraw/zinc/06/50/45/981065045.db2.gz KQHPBAWZXLGKQY-KBPBESRZSA-N -1 0 315.413 3.799 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595436919 981072557 /nfs/dbraw/zinc/07/25/57/981072557.db2.gz YNIUPJFDRDTBMU-APPDUMDISA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595439687 981075272 /nfs/dbraw/zinc/07/52/72/981075272.db2.gz FSZOHZQUWOFVOB-DGCLKSJQSA-N -1 0 305.374 3.548 20 0 DHADRM C[C@@H](Cc1ccc(NCc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC000904015164 981080664 /nfs/dbraw/zinc/08/06/64/981080664.db2.gz HJFYTBZXXKWNJR-NSHDSACASA-N -1 0 304.777 3.610 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595443918 981084182 /nfs/dbraw/zinc/08/41/82/981084182.db2.gz FEEHZAQPDCWQHX-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(C(F)F)ccc2F)C1 ZINC000905116043 981089685 /nfs/dbraw/zinc/08/96/85/981089685.db2.gz YHNOINTUFKTGRJ-ZJUUUORDSA-N -1 0 315.291 3.593 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000905718145 981121835 /nfs/dbraw/zinc/12/18/35/981121835.db2.gz ILJVFHNPVIUKMR-NYCLONFESA-N -1 0 317.429 3.567 20 0 DHADRM CSc1ccc(N[C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1C(=O)[O-] ZINC000905727089 981125739 /nfs/dbraw/zinc/12/57/39/981125739.db2.gz MPYSGHBWWHCZGM-YNEHKIRRSA-N -1 0 321.442 3.724 20 0 DHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595456397 981126128 /nfs/dbraw/zinc/12/61/28/981126128.db2.gz PUNMDKBQWOKIOK-QMTHXVAHSA-N -1 0 315.373 3.566 20 0 DHADRM CC[C@@H]1CCN1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595468342 981162006 /nfs/dbraw/zinc/16/20/06/981162006.db2.gz SWHNSOMVDINGCS-SNVBAGLBSA-N -1 0 322.430 3.731 20 0 DHADRM Cc1ccc(C)c(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907554487 981187752 /nfs/dbraw/zinc/18/77/52/981187752.db2.gz MHHUBOYVOGEWLU-DNVCBOLYSA-N -1 0 309.365 3.500 20 0 DHADRM CN(C(=O)C(C)(C)CC(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000907672880 981206387 /nfs/dbraw/zinc/20/63/87/981206387.db2.gz HRMQYZCJWYRTQZ-UHFFFAOYSA-N -1 0 321.417 3.575 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907688389 981207609 /nfs/dbraw/zinc/20/76/09/981207609.db2.gz JVKVPICHJVMBBO-QMTHXVAHSA-N -1 0 319.401 3.654 20 0 DHADRM CC[C@H]1CN(c2cccc(C(=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC001595492625 981254699 /nfs/dbraw/zinc/25/46/99/981254699.db2.gz RPUOABSEDCQLSW-GOEBONIOSA-N -1 0 310.397 3.800 20 0 DHADRM CC[C@@H]1Cc2ccccc2CN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595500095 981269892 /nfs/dbraw/zinc/26/98/92/981269892.db2.gz UQUQFOSXOZBTCV-SMDDNHRTSA-N -1 0 316.426 3.739 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908181998 981280406 /nfs/dbraw/zinc/28/04/06/981280406.db2.gz VKHPRAGWHCZTDN-MNNVXMFVSA-N -1 0 313.397 3.515 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCC=CCCC2)CCC1 ZINC000908332163 981299632 /nfs/dbraw/zinc/29/96/32/981299632.db2.gz CYYCOUKBUKOHES-OAHLLOKOSA-N -1 0 307.434 3.664 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000908337561 981302893 /nfs/dbraw/zinc/30/28/93/981302893.db2.gz CDVBHFLVDAPJFF-HZPDHXFCSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000908367977 981309275 /nfs/dbraw/zinc/30/92/75/981309275.db2.gz UZEONTQPYJBARP-CXHZTBPHSA-N -1 0 317.429 3.576 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502482 981319247 /nfs/dbraw/zinc/31/92/47/981319247.db2.gz ZHNVABRBGHPULF-RYUDHWBXSA-N -1 0 305.374 3.548 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502345 981319428 /nfs/dbraw/zinc/31/94/28/981319428.db2.gz XXVOMYORXRASIP-NWDGAFQWSA-N -1 0 305.374 3.548 20 0 DHADRM CCCC(=CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CCC ZINC001595521302 981339814 /nfs/dbraw/zinc/33/98/14/981339814.db2.gz SNWLEYQNVUHZJD-UHFFFAOYSA-N -1 0 303.402 3.870 20 0 DHADRM CSc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908704191 981342425 /nfs/dbraw/zinc/34/24/25/981342425.db2.gz PGHGRMUBXPJDAF-UHFFFAOYSA-N -1 0 319.426 3.772 20 0 DHADRM CCCC(=CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)CCC ZINC001595521983 981343301 /nfs/dbraw/zinc/34/33/01/981343301.db2.gz HKEOLMABFZCELO-ZDUSSCGKSA-N -1 0 309.431 3.907 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cc(C(=O)[O-])on2)c(C(C)C)c1 ZINC000908719144 981346343 /nfs/dbraw/zinc/34/63/43/981346343.db2.gz JYFUKXXFQRKZHK-UHFFFAOYSA-N -1 0 316.357 3.872 20 0 DHADRM CCCC(C)(C)CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001595537960 981389633 /nfs/dbraw/zinc/38/96/33/981389633.db2.gz FDHNTRGNCPVDBB-HOTGVXAUSA-N -1 0 317.429 3.530 20 0 DHADRM CCC[C@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595574815 981493090 /nfs/dbraw/zinc/49/30/90/981493090.db2.gz XRTRYMRUBDXCSL-JOYOIKCWSA-N -1 0 318.291 3.968 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001595585847 981526708 /nfs/dbraw/zinc/52/67/08/981526708.db2.gz GDEJORQRTAKRQA-JTQLQIEISA-N -1 0 311.353 3.687 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595585938 981527900 /nfs/dbraw/zinc/52/79/00/981527900.db2.gz JKYDNVKANILNPN-MRVPVSSYSA-N -1 0 301.745 3.942 20 0 DHADRM CCC[C@@H](CC)C(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595585972 981527948 /nfs/dbraw/zinc/52/79/48/981527948.db2.gz KDFQYEUJJAKSIC-ZBFHGGJFSA-N -1 0 305.418 3.877 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595586104 981529220 /nfs/dbraw/zinc/52/92/20/981529220.db2.gz PASBBMIJSMMJIZ-CYBMUJFWSA-N -1 0 310.365 3.821 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595586179 981529839 /nfs/dbraw/zinc/52/98/39/981529839.db2.gz RBJFQLMQZXDLEZ-LLVKDONJSA-N -1 0 317.389 3.662 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595586156 981529851 /nfs/dbraw/zinc/52/98/51/981529851.db2.gz QGNYBMJEASANLW-JKSUJKDBSA-N -1 0 311.466 3.846 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595586479 981532639 /nfs/dbraw/zinc/53/26/39/981532639.db2.gz ASOFJVRODNQYSU-INIZCTEOSA-N -1 0 305.418 3.762 20 0 DHADRM CC(C)(CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC000909529411 981533384 /nfs/dbraw/zinc/53/33/84/981533384.db2.gz NQXBRSWMJYPZGP-QMTHXVAHSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC(CCC)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595586734 981535529 /nfs/dbraw/zinc/53/55/29/981535529.db2.gz MMODLTPGDFQKGA-UHFFFAOYSA-N -1 0 314.328 3.923 20 0 DHADRM CCCC(CCC)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595586819 981536138 /nfs/dbraw/zinc/53/61/38/981536138.db2.gz QRCJWTCHKDHYMZ-UHFFFAOYSA-N -1 0 324.446 3.803 20 0 DHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000909553552 981539563 /nfs/dbraw/zinc/53/95/63/981539563.db2.gz PXCDZWIDKWSAHN-UHFFFAOYSA-N -1 0 301.342 3.686 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595587503 981542378 /nfs/dbraw/zinc/54/23/78/981542378.db2.gz OPBCTQHBIUBAKF-AWEZNQCLSA-N -1 0 318.417 3.644 20 0 DHADRM CC(C)C1(C)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000909697056 981573773 /nfs/dbraw/zinc/57/37/73/981573773.db2.gz VWJCSVOIFDAQQZ-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(C)(C)C ZINC001595600645 981582300 /nfs/dbraw/zinc/58/23/00/981582300.db2.gz UEAOEJIVBYFNNF-ZDUSSCGKSA-N -1 0 310.369 3.860 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001594742912 981619942 /nfs/dbraw/zinc/61/99/42/981619942.db2.gz IRNPMUDYNYRBNL-LSDHHAIUSA-N -1 0 323.820 3.895 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001594747570 981638984 /nfs/dbraw/zinc/63/89/84/981638984.db2.gz LIAIGJFIQGNVRY-SJORKVTESA-N -1 0 317.429 3.925 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001594747871 981640805 /nfs/dbraw/zinc/64/08/05/981640805.db2.gz MABIAAGBFIUFFR-CVEARBPZSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909835352 981654013 /nfs/dbraw/zinc/65/40/13/981654013.db2.gz SDUIAKKBZIRVFP-NSHDSACASA-N -1 0 324.380 3.708 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001595619759 981681563 /nfs/dbraw/zinc/68/15/63/981681563.db2.gz NTYIPNHAOPIAHX-BDAKNGLRSA-N -1 0 302.827 3.900 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001594759519 981687430 /nfs/dbraw/zinc/68/74/30/981687430.db2.gz LDWWJRNQJPVGBM-CYBMUJFWSA-N -1 0 319.307 3.681 20 0 DHADRM CCCC1CCC(NC(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001595620848 981693937 /nfs/dbraw/zinc/69/39/37/981693937.db2.gz VTWGSRPIUOPVTB-UHFFFAOYSA-N -1 0 303.402 3.782 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595621091 981696638 /nfs/dbraw/zinc/69/66/38/981696638.db2.gz BRTLGNFQFOEKBC-IUODEOHRSA-N -1 0 304.390 3.865 20 0 DHADRM CCC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595621980 981705122 /nfs/dbraw/zinc/70/51/22/981705122.db2.gz DCQJAIVZACVMRG-CYBMUJFWSA-N -1 0 320.389 3.580 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595622194 981707135 /nfs/dbraw/zinc/70/71/35/981707135.db2.gz SABYOSUJQJXURE-XUWVNRHRSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)C1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)C1 ZINC000909963657 981716829 /nfs/dbraw/zinc/71/68/29/981716829.db2.gz ZPFMJKLZCCPGPM-MTERUZRBSA-N -1 0 321.461 3.551 20 0 DHADRM Cc1c(NC(=O)C=C2CCC2)cc(Br)cc1C(=O)[O-] ZINC000910080637 981754250 /nfs/dbraw/zinc/75/42/50/981754250.db2.gz ZFCLBZBSTLSAIF-UHFFFAOYSA-N -1 0 324.174 3.505 20 0 DHADRM CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595626458 981760912 /nfs/dbraw/zinc/76/09/12/981760912.db2.gz TZUKTNKWSQJDLS-CYBMUJFWSA-N -1 0 318.200 3.768 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001594782417 981790454 /nfs/dbraw/zinc/79/04/54/981790454.db2.gz PCBAJZBBSUGYPP-ZRGWGRIASA-N -1 0 321.461 3.717 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595630391 981818522 /nfs/dbraw/zinc/81/85/22/981818522.db2.gz DUWBOLJSSPPVHW-OAHLLOKOSA-N -1 0 313.394 3.964 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000910253479 981828888 /nfs/dbraw/zinc/82/88/88/981828888.db2.gz CWPLNVUZOIPTQO-CYBMUJFWSA-N -1 0 301.342 3.613 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595631359 981837471 /nfs/dbraw/zinc/83/74/71/981837471.db2.gz MQHXRPYIZWLPDM-NJSLBKSFSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595631360 981837969 /nfs/dbraw/zinc/83/79/69/981837969.db2.gz MQHXRPYIZWLPDM-TYILLQQXSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595631358 981838043 /nfs/dbraw/zinc/83/80/43/981838043.db2.gz MQHXRPYIZWLPDM-CKFHNAJUSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595631597 981841287 /nfs/dbraw/zinc/84/12/87/981841287.db2.gz WGDWDTSQONXGFS-DZGCQCFKSA-N -1 0 305.418 3.781 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594794459 981871904 /nfs/dbraw/zinc/87/19/04/981871904.db2.gz LMBPJQXVBVQJCD-LBPRGKRZSA-N -1 0 320.433 3.995 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595633668 981875051 /nfs/dbraw/zinc/87/50/51/981875051.db2.gz SHPANQIBLZNVQM-GFCCVEGCSA-N -1 0 307.394 3.569 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](C)/C=C\C(=O)[O-])CC1 ZINC001594796490 981876768 /nfs/dbraw/zinc/87/67/68/981876768.db2.gz AZTUNYIFGHIQRG-CGKXCNJTSA-N -1 0 321.461 3.765 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594796534 981877750 /nfs/dbraw/zinc/87/77/50/981877750.db2.gz CFEGFAXBKYFUAZ-LDZOIKDWSA-N -1 0 309.450 3.599 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC001594796653 981879307 /nfs/dbraw/zinc/87/93/07/981879307.db2.gz HQQVTVAEQQFBIS-UYSNPLJNSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595634386 981886539 /nfs/dbraw/zinc/88/65/39/981886539.db2.gz NIQPRRUVWLJJHF-PBHICJAKSA-N -1 0 319.445 3.748 20 0 DHADRM CCCC[C@@H](COC)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595634804 981893791 /nfs/dbraw/zinc/89/37/91/981893791.db2.gz WSNRFJWQKCPYDV-AWEZNQCLSA-N -1 0 309.406 3.789 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC000910387688 981910768 /nfs/dbraw/zinc/91/07/68/981910768.db2.gz FZMJANHNPJZNIY-SMDDNHRTSA-N -1 0 323.820 3.545 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594808275 981915698 /nfs/dbraw/zinc/91/56/98/981915698.db2.gz LRVLDSXQWSCFTF-YJYMSZOUSA-N -1 0 317.429 3.806 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccsc1Cl ZINC000910503912 981969948 /nfs/dbraw/zinc/96/99/48/981969948.db2.gz ILGRFUTVDBMFPN-UHFFFAOYSA-N -1 0 317.838 3.611 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)s1 ZINC001594821459 981970772 /nfs/dbraw/zinc/97/07/72/981970772.db2.gz ANKSOAAYMASANZ-KRWDZBQOSA-N -1 0 317.410 3.788 20 0 DHADRM CCCC[C@H](Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1)C(=O)[O-] ZINC001595642410 981972315 /nfs/dbraw/zinc/97/23/15/981972315.db2.gz PWAXXFMFCZOQLS-DQYPLSBCSA-N -1 0 318.417 3.503 20 0 DHADRM CCCC[C@@H](OC(=O)c1cc(Cl)nc2ccccc21)C(=O)[O-] ZINC001595650898 982014682 /nfs/dbraw/zinc/01/46/82/982014682.db2.gz PCFLDRWMZZKVDX-CYBMUJFWSA-N -1 0 321.760 3.688 20 0 DHADRM CCCC[C@H](OC(=O)/C=C\c1ccc(Cl)s1)C(=O)[O-] ZINC001595651440 982021035 /nfs/dbraw/zinc/02/10/35/982021035.db2.gz UJWYBWIJTCITNL-ZEBCKKTISA-N -1 0 302.779 3.601 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1C(=O)[O-] ZINC000910630101 982033689 /nfs/dbraw/zinc/03/36/89/982033689.db2.gz DQIVNRWDIHQKST-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccco1 ZINC000910624891 982033701 /nfs/dbraw/zinc/03/37/01/982033701.db2.gz XGBALRHDFMCYDQ-NSHDSACASA-N -1 0 317.341 3.509 20 0 DHADRM CCCC[C@H](SCC(=O)Nc1c(C)cccc1C)C(=O)[O-] ZINC001595655296 982044396 /nfs/dbraw/zinc/04/43/96/982044396.db2.gz JYFMIEDBLKNSNX-ZDUSSCGKSA-N -1 0 309.431 3.619 20 0 DHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])nn1C1CCCCC1 ZINC000910666518 982047054 /nfs/dbraw/zinc/04/70/54/982047054.db2.gz VNEGSLULEIBREG-UHFFFAOYSA-N -1 0 321.421 3.526 20 0 DHADRM CCCC[C@H](SCc1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC001595655782 982048821 /nfs/dbraw/zinc/04/88/21/982048821.db2.gz PEKRMVORQAOGFI-LBPRGKRZSA-N -1 0 316.806 3.945 20 0 DHADRM CCCC[C@@H](SCc1cc(C(=O)[O-])oc1CC)C(=O)OC ZINC001595655952 982049337 /nfs/dbraw/zinc/04/93/37/982049337.db2.gz SDODMPRTHSVJEI-CYBMUJFWSA-N -1 0 314.403 3.505 20 0 DHADRM CCCC[C@@H](SC[C@@H](O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595656408 982052800 /nfs/dbraw/zinc/05/28/00/982052800.db2.gz YDXOOGWRLYWSCV-CHWSQXEVSA-N -1 0 302.823 3.750 20 0 DHADRM Cc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1C ZINC000910697359 982067951 /nfs/dbraw/zinc/06/79/51/982067951.db2.gz SUSYPSZWMHZGRP-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001594846567 982068050 /nfs/dbraw/zinc/06/80/50/982068050.db2.gz GAGGYNMCPUNLCX-LJQANCHMSA-N -1 0 311.381 3.748 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)CC ZINC000910700985 982071055 /nfs/dbraw/zinc/07/10/55/982071055.db2.gz OXPHMTLFMCKSQK-LZIZUESTSA-N -1 0 308.403 3.816 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595660622 982072640 /nfs/dbraw/zinc/07/26/40/982072640.db2.gz KRUSWAIUKPHWDY-OCCSQVGLSA-N -1 0 320.433 3.672 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595660620 982072648 /nfs/dbraw/zinc/07/26/48/982072648.db2.gz KRUSWAIUKPHWDY-JSGCOSHPSA-N -1 0 320.433 3.672 20 0 DHADRM CCCCCC(C)(C)CNC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595662436 982078817 /nfs/dbraw/zinc/07/88/17/982078817.db2.gz FAWAGEGIOCHODA-UHFFFAOYSA-N -1 0 324.421 3.692 20 0 DHADRM CCCCC[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC001595662662 982080092 /nfs/dbraw/zinc/08/00/92/982080092.db2.gz IBVNWVLZLVCIJP-INIZCTEOSA-N -1 0 305.418 3.854 20 0 DHADRM CC[C@@H](C)CCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910725170 982089425 /nfs/dbraw/zinc/08/94/25/982089425.db2.gz VYKQRTBRQAITDM-ZYHUDNBSSA-N -1 0 324.446 3.640 20 0 DHADRM O=C([O-])c1nc(NC(=O)C2CCCCCC2)sc1C1CC1 ZINC000910733740 982095580 /nfs/dbraw/zinc/09/55/80/982095580.db2.gz QUBSYPAHGBNRLE-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM C[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccs1 ZINC000910734421 982096995 /nfs/dbraw/zinc/09/69/95/982096995.db2.gz VGHKWKXMDNCJHB-ZETCQYMHSA-N -1 0 322.411 3.522 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001595666638 982104558 /nfs/dbraw/zinc/10/45/58/982104558.db2.gz PUSCSRVNUPXLQD-YOEHRIQHSA-N -1 0 309.450 3.696 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001595669257 982113035 /nfs/dbraw/zinc/11/30/35/982113035.db2.gz GWVTYRZPYXPFJZ-IUODEOHRSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595669282 982113309 /nfs/dbraw/zinc/11/33/09/982113309.db2.gz GXRPHPYCVPQDFT-SMDDNHRTSA-N -1 0 311.809 3.593 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595670245 982117118 /nfs/dbraw/zinc/11/71/18/982117118.db2.gz NJDJBOKDPPVPMS-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595670563 982119229 /nfs/dbraw/zinc/11/92/29/982119229.db2.gz RUWMUGDBJKGZFA-CYBMUJFWSA-N -1 0 306.406 3.942 20 0 DHADRM CCCCC[C@@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001595672780 982136562 /nfs/dbraw/zinc/13/65/62/982136562.db2.gz SQQDIDULCZKQMG-CQSZACIVSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001595676851 982149342 /nfs/dbraw/zinc/14/93/42/982149342.db2.gz QLNPOSBDVYVGRW-LBPRGKRZSA-N -1 0 318.200 3.757 20 0 DHADRM CSc1ccc(NC(=O)c2cccn2C(C)C)cc1C(=O)[O-] ZINC000910947857 982172332 /nfs/dbraw/zinc/17/23/32/982172332.db2.gz PNWKXHWZPCSYJF-UHFFFAOYSA-N -1 0 318.398 3.741 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595690252 982193319 /nfs/dbraw/zinc/19/33/19/982193319.db2.gz LCAPYEOITAGUCB-MRXNPFEDSA-N -1 0 303.402 3.878 20 0 DHADRM CN(C)c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000443104271 1014814222 /nfs/dbraw/zinc/81/42/22/1014814222.db2.gz NKTYOTDDXHVBGA-UHFFFAOYSA-N -1 0 315.760 3.829 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595691090 982204988 /nfs/dbraw/zinc/20/49/88/982204988.db2.gz ZHMGYEWFEGNFCB-CQSZACIVSA-N -1 0 320.433 3.905 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001595694960 982214966 /nfs/dbraw/zinc/21/49/66/982214966.db2.gz LXWPTUFAKOFDFK-PBHICJAKSA-N -1 0 317.429 3.944 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001595695519 982218929 /nfs/dbraw/zinc/21/89/29/982218929.db2.gz VYYNEJALUCCCSU-RHSMWYFYSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595695574 982219596 /nfs/dbraw/zinc/21/95/96/982219596.db2.gz XYWJHCBGEDGGFA-CHWSQXEVSA-N -1 0 311.447 3.987 20 0 DHADRM COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c(O)c1 ZINC000135165683 1014817513 /nfs/dbraw/zinc/81/75/13/1014817513.db2.gz GHUDIQKGEKXCPV-OAHLLOKOSA-N -1 0 315.369 3.751 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594880824 982231076 /nfs/dbraw/zinc/23/10/76/982231076.db2.gz FIMPZAWIETXFFP-VXGBXAGGSA-N -1 0 307.390 3.793 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001595696806 982233699 /nfs/dbraw/zinc/23/36/99/982233699.db2.gz DAMFQYNEGPWKQS-CQSZACIVSA-N -1 0 320.433 3.848 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595697195 982238735 /nfs/dbraw/zinc/23/87/35/982238735.db2.gz HUWIMIZMLOPLKP-ZDUSSCGKSA-N -1 0 308.422 3.782 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594881678 982242455 /nfs/dbraw/zinc/24/24/55/982242455.db2.gz SVCFAZKQIFAAIT-VHSXEESVSA-N -1 0 309.431 3.946 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594881680 982242559 /nfs/dbraw/zinc/24/25/59/982242559.db2.gz SVCFAZKQIFAAIT-ZJUUUORDSA-N -1 0 309.431 3.946 20 0 DHADRM CCCCCC[C@H](CC)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001595698010 982247585 /nfs/dbraw/zinc/24/75/85/982247585.db2.gz PEGPNTGPBSEFIJ-LBPRGKRZSA-N -1 0 306.406 3.902 20 0 DHADRM CCCCCc1ccc(NC(=O)NC[C@@H](CC)C(=O)[O-])cc1 ZINC001595726943 982348375 /nfs/dbraw/zinc/34/83/75/982348375.db2.gz CYGSWHRWVIPQKU-CQSZACIVSA-N -1 0 306.406 3.652 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001594911788 982418124 /nfs/dbraw/zinc/41/81/24/982418124.db2.gz JVCCYELZIVOWSI-ABAIWWIYSA-N -1 0 317.410 3.644 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001594911790 982418211 /nfs/dbraw/zinc/41/82/11/982418211.db2.gz JVCCYELZIVOWSI-XHDPSFHLSA-N -1 0 317.410 3.644 20 0 DHADRM CCCCN(Cc1ncc(C(=O)[O-])s1)Cc1ccccc1F ZINC001595748322 982418386 /nfs/dbraw/zinc/41/83/86/982418386.db2.gz VVNNFBIUUVYBAC-UHFFFAOYSA-N -1 0 322.405 3.783 20 0 DHADRM Cc1cc(C(=O)N2CC(C)(C)Cc3ccccc32)oc1C(=O)[O-] ZINC000911451437 982437256 /nfs/dbraw/zinc/43/72/56/982437256.db2.gz CUQDXEZHHZUAFF-UHFFFAOYSA-N -1 0 313.353 3.515 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911453097 982438369 /nfs/dbraw/zinc/43/83/69/982438369.db2.gz ZOBLBEZSSTXBHN-WFASDCNBSA-N -1 0 323.820 3.895 20 0 DHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001594928797 982542895 /nfs/dbraw/zinc/54/28/95/982542895.db2.gz MVCGPVOFJYOPJN-ZBEGNZNMSA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC001594929063 982544858 /nfs/dbraw/zinc/54/48/58/982544858.db2.gz QMCXDQIXKDMPFO-JQWIXIFHSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001594929283 982547553 /nfs/dbraw/zinc/54/75/53/982547553.db2.gz RNSFIOSTIXXNIU-PRHODGIISA-N -1 0 312.822 3.818 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001594930458 982552680 /nfs/dbraw/zinc/55/26/80/982552680.db2.gz XGRPBRILKJWMFG-KWQFWETISA-N -1 0 321.427 3.535 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595788854 982585869 /nfs/dbraw/zinc/58/58/69/982585869.db2.gz DPONGKOYPXZOQF-VIFPVBQESA-N -1 0 315.822 3.899 20 0 DHADRM CCCCSCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595791845 982590974 /nfs/dbraw/zinc/59/09/74/982590974.db2.gz HGDKWBUBJJLKKJ-UHFFFAOYSA-N -1 0 317.357 3.525 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594938024 982604318 /nfs/dbraw/zinc/60/43/18/982604318.db2.gz CUKJHDJGULRXLE-LXZKKBNFSA-N -1 0 317.429 3.502 20 0 DHADRM CCCCc1nc(COc2cc(OC)ccc2C(=O)[O-])cs1 ZINC001595798319 982610626 /nfs/dbraw/zinc/61/06/26/982610626.db2.gz CQGLCJBDOSUHLQ-UHFFFAOYSA-N -1 0 321.398 3.772 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911733517 982617617 /nfs/dbraw/zinc/61/76/17/982617617.db2.gz BJYZPUOPLHUADF-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC001594944552 982627918 /nfs/dbraw/zinc/62/79/18/982627918.db2.gz GQEAPXCWDOUKBS-HZMBPMFUSA-N -1 0 317.385 3.669 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001594945334 982632695 /nfs/dbraw/zinc/63/26/95/982632695.db2.gz BFBBPGBZDWUDDL-DOMZBBRYSA-N -1 0 323.458 3.806 20 0 DHADRM CCCCn1ncc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC001595809685 982639639 /nfs/dbraw/zinc/63/96/39/982639639.db2.gz ATCASWMHOUOFJT-OAHLLOKOSA-N -1 0 321.808 3.883 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001594946371 982641132 /nfs/dbraw/zinc/64/11/32/982641132.db2.gz OGVOBHUPJCSVIZ-QWRGUYRKSA-N -1 0 311.447 3.665 20 0 DHADRM CCCCn1ncc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c1C(C)C ZINC001595809922 982641236 /nfs/dbraw/zinc/64/12/36/982641236.db2.gz DKZPTKFRAKVBHU-GBJTYRQASA-N -1 0 319.449 3.718 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594946939 982644946 /nfs/dbraw/zinc/64/49/46/982644946.db2.gz UTWBEYNEUHRPKY-CZUORRHYSA-N -1 0 305.418 3.504 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)c1cccc(C)c1C ZINC000914529704 982651293 /nfs/dbraw/zinc/65/12/93/982651293.db2.gz XMZXOXWLMNCRMR-UHFFFAOYSA-N -1 0 303.383 3.730 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001594950092 982656953 /nfs/dbraw/zinc/65/69/53/982656953.db2.gz SQUQPKSXTGFSPC-BMIGLBTASA-N -1 0 317.385 3.669 20 0 DHADRM CC[C@@H](C)C[C@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC001594952291 982666856 /nfs/dbraw/zinc/66/68/56/982666856.db2.gz IAXLSQNQDMLQCD-PWSUYJOCSA-N -1 0 313.357 3.677 20 0 DHADRM CC[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000918052318 982686063 /nfs/dbraw/zinc/68/60/63/982686063.db2.gz CEXFVXAOEKAMFL-SECBINFHSA-N -1 0 316.304 3.604 20 0 DHADRM CC[C@@H](C)CN(CC)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001594960308 982709246 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CCCN(CC1CC1)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001595870825 982858317 /nfs/dbraw/zinc/85/83/17/982858317.db2.gz YKPQSQNMZQHJJR-UHFFFAOYSA-N -1 0 319.430 3.633 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)CC(F)(F)F ZINC001595885960 982912163 /nfs/dbraw/zinc/91/21/63/982912163.db2.gz PRYQUZHIYSYADJ-UHFFFAOYSA-N -1 0 306.328 3.611 20 0 DHADRM CCCN(Cc1occc1C(=O)[O-])Cc1ccc(F)cc1F ZINC001595888653 982919324 /nfs/dbraw/zinc/91/93/24/982919324.db2.gz SKVQJACDPROIKL-UHFFFAOYSA-N -1 0 309.312 3.668 20 0 DHADRM CCCN(c1nc(C)cc(C(=O)[O-])n1)[C@H](CC)c1ccccc1 ZINC001595894401 982928194 /nfs/dbraw/zinc/92/81/94/982928194.db2.gz BTQWWZFHAHSGQR-MRXNPFEDSA-N -1 0 313.401 3.851 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001595008836 982930418 /nfs/dbraw/zinc/93/04/18/982930418.db2.gz RIHJXCQMMADGSD-VHSXEESVSA-N -1 0 321.402 3.587 20 0 DHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCCCO1 ZINC000443405185 1014903372 /nfs/dbraw/zinc/90/33/72/1014903372.db2.gz WBSINOOWJMBLEU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/57/12/22/984571222.db2.gz FJWSGCSNYDHIOF-KRWDZBQOSA-N -1 0 323.392 3.912 20 0 DHADRM CC(c1nc(COc2cccc(C(=O)[O-])c2)no1)=C1CCCC1 ZINC001588933158 984611782 /nfs/dbraw/zinc/61/17/82/984611782.db2.gz PNOZWJUKNHWEPD-UHFFFAOYSA-N -1 0 314.341 3.694 20 0 DHADRM C/C(=C\C(=O)N1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001588937596 984616956 /nfs/dbraw/zinc/61/69/56/984616956.db2.gz MHQBPNBMGSOREP-ZRDIBKRKSA-N -1 0 301.386 3.656 20 0 DHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)C(C)(C)C ZINC001588939885 984632008 /nfs/dbraw/zinc/63/20/08/984632008.db2.gz UTTLKEYKMRGSGH-IVOILVROSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1C ZINC001588943751 984641260 /nfs/dbraw/zinc/64/12/60/984641260.db2.gz BSBCMXJJPUNHKJ-FMIVXFBMSA-N -1 0 313.328 3.874 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1=CCC(C)(C)CC1 ZINC001599886615 984643998 /nfs/dbraw/zinc/64/39/98/984643998.db2.gz PEQVOQIDCPCMOO-CQSZACIVSA-N -1 0 315.413 3.625 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccc(F)cc1 ZINC001588944514 984648098 /nfs/dbraw/zinc/64/80/98/984648098.db2.gz YNDFVPMWGAFXIS-VQHVLOKHSA-N -1 0 319.357 3.936 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC001599888659 984667897 /nfs/dbraw/zinc/66/78/97/984667897.db2.gz XOMDWMFTINRWGZ-NHYWBVRUSA-N -1 0 318.756 3.813 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001588951535 984680823 /nfs/dbraw/zinc/68/08/23/984680823.db2.gz BIKDHVMJQZSWEC-SOFGYWHQSA-N -1 0 310.762 3.513 20 0 DHADRM C/C(=C/C(=O)Oc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588953252 984693464 /nfs/dbraw/zinc/69/34/64/984693464.db2.gz MFEWNUMUFXVCAP-KHPPLWFESA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588953273 984693557 /nfs/dbraw/zinc/69/35/57/984693557.db2.gz MWWISLOIXCMSEK-QBFSEMIESA-N -1 0 315.413 3.965 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001599891210 984696137 /nfs/dbraw/zinc/69/61/37/984696137.db2.gz LETNHJZDZSDJKA-PBHICJAKSA-N -1 0 323.477 3.990 20 0 DHADRM C/C(=C/C(=O)O[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588953682 984698551 /nfs/dbraw/zinc/69/85/51/984698551.db2.gz YSGPRZLMCHXCLJ-ABRRARGCSA-N -1 0 316.275 3.515 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001588955921 984700292 /nfs/dbraw/zinc/70/02/92/984700292.db2.gz CZZRVGNXBPWBPU-DXJPPZEZSA-N -1 0 321.461 3.909 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1)C(=O)[O-] ZINC000191426386 1015065604 /nfs/dbraw/zinc/06/56/04/1015065604.db2.gz RCLCYFKRZFBTCW-GFCCVEGCSA-N -1 0 322.364 3.683 20 0 DHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)OC1(C(=O)[O-])CC1 ZINC001588995920 984930179 /nfs/dbraw/zinc/93/01/79/984930179.db2.gz WOLCVXYTQNULAE-FPLPWBNLSA-N -1 0 315.152 3.557 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001588999099 984936980 /nfs/dbraw/zinc/93/69/80/984936980.db2.gz RVGJXMWLFSRQLF-ZHACJKMWSA-N -1 0 322.788 3.930 20 0 DHADRM C[C@H]1CC[C@@](NC(=O)c2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC001599907801 984945658 /nfs/dbraw/zinc/94/56/58/984945658.db2.gz NVTADTPLQKRFNE-HJGJAMNPSA-N -1 0 311.381 3.603 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1(C)C ZINC001599908265 984951240 /nfs/dbraw/zinc/95/12/40/984951240.db2.gz QNODBOADFKRTKL-OHNRDTAOSA-N -1 0 323.477 3.989 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001589003728 984956069 /nfs/dbraw/zinc/95/60/69/984956069.db2.gz JPHVTFZCFAXNPD-FLIBITNWSA-N -1 0 308.761 3.541 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001589003727 984956299 /nfs/dbraw/zinc/95/62/99/984956299.db2.gz JPHVTFZCFAXNPD-DHZHZOJOSA-N -1 0 308.761 3.541 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccccc1C(=O)[O-] ZINC001589003873 984957995 /nfs/dbraw/zinc/95/79/95/984957995.db2.gz OSUPKLWTQPMENF-OWBHPGMISA-N -1 0 309.365 3.560 20 0 DHADRM CCOC(=O)c1cccc(SCc2cc(C(=O)[O-])oc2C)c1 ZINC001596730369 984994910 /nfs/dbraw/zinc/99/49/10/984994910.db2.gz GTEJXFMLNWLPMC-UHFFFAOYSA-N -1 0 320.366 3.755 20 0 DHADRM CCOC(=O)c1cccc(SCc2cc(C(=O)[O-])cs2)c1 ZINC001596730708 984996567 /nfs/dbraw/zinc/99/65/67/984996567.db2.gz NFZZBAKMNQRCEQ-UHFFFAOYSA-N -1 0 322.407 3.915 20 0 DHADRM CC(=O)CCCCCCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001589034928 985076791 /nfs/dbraw/zinc/07/67/91/985076791.db2.gz HSAHRQHCSZGDMJ-UHFFFAOYSA-N -1 0 316.357 3.517 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@]1(C)C(=O)[O-] ZINC001599922662 985157504 /nfs/dbraw/zinc/15/75/04/985157504.db2.gz OIPONUYXRQPSML-SGTLLEGYSA-N -1 0 318.417 3.559 20 0 DHADRM CCO[C@@H](C(=O)Nc1ccc(C)c(C)c1C(=O)[O-])C1CCCC1 ZINC001596766450 985172059 /nfs/dbraw/zinc/17/20/59/985172059.db2.gz CXGTZHVUCXXYNY-MRXNPFEDSA-N -1 0 319.401 3.535 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2c(C)cccc2F)c1C1CC1 ZINC000656738999 1015109625 /nfs/dbraw/zinc/10/96/25/1015109625.db2.gz JDHLDDZASKHRDB-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM CCO[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)C1CCCC1 ZINC001596789237 985256334 /nfs/dbraw/zinc/25/63/34/985256334.db2.gz AEXNVHIPAORJKG-CQSZACIVSA-N -1 0 316.357 3.703 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(F)cc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599937812 985417722 /nfs/dbraw/zinc/41/77/22/985417722.db2.gz JBWAFRUJHPJWAL-KDOFPFPSSA-N -1 0 313.328 3.656 20 0 DHADRM C[C@]12CCCC[C@H]1CN2C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599938336 985423704 /nfs/dbraw/zinc/42/37/04/985423704.db2.gz MALJLDTWXJZQQH-QFYYESIMSA-N -1 0 322.792 3.835 20 0 DHADRM C[C@@H]1CC[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)[C@H](C)C1 ZINC000656757486 1015130009 /nfs/dbraw/zinc/13/00/09/1015130009.db2.gz OVBZSPHQXQPBAP-VXGBXAGGSA-N -1 0 311.809 3.537 20 0 DHADRM CC(=O)Nc1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001589200095 985645453 /nfs/dbraw/zinc/64/54/53/985645453.db2.gz WAMHUTUSHLJYHS-UHFFFAOYSA-N -1 0 319.744 3.576 20 0 DHADRM CC(=O)Nc1ccc(SC[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001589204356 985661259 /nfs/dbraw/zinc/66/12/59/985661259.db2.gz WOXLIGFGSFTENN-IUODEOHRSA-N -1 0 307.415 3.628 20 0 DHADRM Cc1[nH]c(C(=O)Nc2cccc3ccsc32)c(C)c1C(=O)[O-] ZINC001599954582 985665814 /nfs/dbraw/zinc/66/58/14/985665814.db2.gz JKQBEOQUBWUUCU-UHFFFAOYSA-N -1 0 314.366 3.797 20 0 DHADRM Cc1[nH]c(C(=O)Nc2ccc(C3CCC3)cc2)c(C)c1C(=O)[O-] ZINC001599954610 985667230 /nfs/dbraw/zinc/66/72/30/985667230.db2.gz KXTSJYFLAMIUOI-UHFFFAOYSA-N -1 0 312.369 3.850 20 0 DHADRM Cc1[nH]c(C(=O)O[C@@H](C)c2ccc(F)cc2F)c(C)c1C(=O)[O-] ZINC001599960276 985767999 /nfs/dbraw/zinc/76/79/99/985767999.db2.gz FAMHHGJVHKBGSJ-VIFPVBQESA-N -1 0 323.295 3.526 20 0 DHADRM Cc1[nH]c(CNc2cccc(F)c2C(C)(F)F)cc1C(=O)[O-] ZINC001599962694 985818694 /nfs/dbraw/zinc/81/86/94/985818694.db2.gz CLOQMFIKJUPHBS-UHFFFAOYSA-N -1 0 312.291 3.884 20 0 DHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000608473832 1015166609 /nfs/dbraw/zinc/16/66/09/1015166609.db2.gz AWWAXFXCQHTXQP-LBPRGKRZSA-N -1 0 319.351 3.648 20 0 DHADRM Cc1nc(SCC2(CC(=O)[O-])CC2)[nH]c1Cc1ccccc1 ZINC001599965540 985897384 /nfs/dbraw/zinc/89/73/84/985897384.db2.gz DJMXOPXHTMGJOW-UHFFFAOYSA-N -1 0 316.426 3.656 20 0 DHADRM Cc1nc(SCC(C)(C)C(=O)[O-])[nH]c1Cc1ccccc1 ZINC001599966343 985912301 /nfs/dbraw/zinc/91/23/01/985912301.db2.gz VNJSLFGIGGKMRU-UHFFFAOYSA-N -1 0 304.415 3.512 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001599966717 985919962 /nfs/dbraw/zinc/91/99/62/985919962.db2.gz WUUIRMVUWORHJX-AWEZNQCLSA-N -1 0 315.350 3.521 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccc1C ZINC001589262467 985930248 /nfs/dbraw/zinc/93/02/48/985930248.db2.gz YLGKVTPMJXDXOT-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OC[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001589268564 985955605 /nfs/dbraw/zinc/95/56/05/985955605.db2.gz UVLJFWRRWSYQDY-YPMHNXCESA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1cc(F)ccc1OCc1c(Cl)cccc1C(=O)[O-] ZINC001589270547 985963190 /nfs/dbraw/zinc/96/31/90/985963190.db2.gz BUCWQUQGECNJSO-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1ccc(OC[C@H]2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001589291144 986036407 /nfs/dbraw/zinc/03/64/07/986036407.db2.gz UDHDNAXOZSWXET-OLZOCXBDSA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1ccc(OC[C@H]2CCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001589291143 986036832 /nfs/dbraw/zinc/03/68/32/986036832.db2.gz UDHDNAXOZSWXET-CHWSQXEVSA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1ccc(OCc2c(Cl)cccc2C(=O)[O-])c(F)c1 ZINC001589297452 986042821 /nfs/dbraw/zinc/04/28/21/986042821.db2.gz WNYOCLNXKPAUJY-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc21 ZINC001594535235 986146250 /nfs/dbraw/zinc/14/62/50/986146250.db2.gz MJHGRFYAZIKCCY-CYBMUJFWSA-N -1 0 310.397 3.646 20 0 DHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1C(C)C ZINC001599982999 986190306 /nfs/dbraw/zinc/19/03/06/986190306.db2.gz QVBVSCPNGUVYPJ-UHFFFAOYSA-N -1 0 320.776 3.981 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001597008766 986336649 /nfs/dbraw/zinc/33/66/49/986336649.db2.gz DHRITHLSTMWQRC-CYBMUJFWSA-N -1 0 317.385 3.859 20 0 DHADRM C[C@H](C(=O)N1CCc2c1cccc2C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589364279 986383008 /nfs/dbraw/zinc/38/30/08/986383008.db2.gz DJBMZWZQTRUNHF-RYUDHWBXSA-N -1 0 303.402 3.592 20 0 DHADRM C[C@@H]1CSC(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])=N1 ZINC001594609651 986597322 /nfs/dbraw/zinc/59/73/22/986597322.db2.gz IWIFHQPLKJGCGQ-LDYMZIIASA-N -1 0 315.847 3.560 20 0 DHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001594615834 986634235 /nfs/dbraw/zinc/63/42/35/986634235.db2.gz RZTLBQCBFVVVEK-JTQLQIEISA-N -1 0 309.793 3.509 20 0 DHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001589428887 986704950 /nfs/dbraw/zinc/70/49/50/986704950.db2.gz KYPOOUIKWGFQJW-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM CCOc1ccc(CSCc2ccccc2CC(=O)[O-])nc1 ZINC001597104975 986731550 /nfs/dbraw/zinc/73/15/50/986731550.db2.gz DDPIKPKITORORP-UHFFFAOYSA-N -1 0 317.410 3.541 20 0 DHADRM CCOc1ccc(NC(=O)[C@H](C)[C@H](C)CC)c(C(=O)[O-])c1F ZINC001597112244 986775785 /nfs/dbraw/zinc/77/57/85/986775785.db2.gz KOZVUZRFNBGWFX-NXEZZACHSA-N -1 0 311.353 3.543 20 0 DHADRM CCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)[O-])c1 ZINC001597145569 986906098 /nfs/dbraw/zinc/90/60/98/986906098.db2.gz HSLPFQSQCQBQQD-UHFFFAOYSA-N -1 0 319.382 3.660 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)CC(C)(C)C1CCCCC1)C1CCC1 ZINC001589472353 986966406 /nfs/dbraw/zinc/96/64/06/986966406.db2.gz OYTSIVLHXCCWSB-ZDUSSCGKSA-N -1 0 309.450 3.837 20 0 DHADRM C/C=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001594673650 986992502 /nfs/dbraw/zinc/99/25/02/986992502.db2.gz IJWJDJIKWCEGNX-WAQLMLCQSA-N -1 0 323.392 3.952 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1cccc(C2CCCC2)c1)C1CCC1 ZINC001589479450 987010003 /nfs/dbraw/zinc/01/00/03/987010003.db2.gz UGPIDLFIRPEYSW-CYBMUJFWSA-N -1 0 315.413 3.812 20 0 DHADRM C/C=C/C=C\C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001594683961 987042382 /nfs/dbraw/zinc/04/23/82/987042382.db2.gz JOTGVBMAUDNQEA-KGTGNTDISA-N -1 0 309.365 3.604 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001594686573 987067584 /nfs/dbraw/zinc/06/75/84/987067584.db2.gz 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ZINC001589533300 987225184 /nfs/dbraw/zinc/22/51/84/987225184.db2.gz ZEXXIUOOHLECEN-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ccn(C)c3c2)c1 ZINC001589533298 987225440 /nfs/dbraw/zinc/22/54/40/987225440.db2.gz ZEUGQKXRTAGCBG-GFCCVEGCSA-N -1 0 322.364 3.619 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)C(C)C ZINC001597251251 987241034 /nfs/dbraw/zinc/24/10/34/987241034.db2.gz JRGCNAFIVGFEMF-CQSZACIVSA-N -1 0 309.431 3.663 20 0 DHADRM CCS[C@@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001597251823 987244910 /nfs/dbraw/zinc/24/49/10/987244910.db2.gz XMKMQLSOZPDVOX-ZWNOBZJWSA-N -1 0 314.403 3.668 20 0 DHADRM CC[C@@H](C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-])c1ccccc1 ZINC001594730574 987252000 /nfs/dbraw/zinc/25/20/00/987252000.db2.gz WIYJIMYOFGXZTP-APWZRJJASA-N -1 0 317.429 3.672 20 0 DHADRM CC[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001594733502 987254584 /nfs/dbraw/zinc/25/45/84/987254584.db2.gz BSNIRJYFFNDYSY-IRXDYDNUSA-N -1 0 317.429 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323.190 3.664 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C2(CC2)C1 ZINC001148815565 1032447990 /nfs/dbraw/zinc/44/79/90/1032447990.db2.gz PMOJFAPSQGXAEG-QMMMGPOBSA-N -1 0 300.185 3.714 20 0 DHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1Cl ZINC000035135303 1012052610 /nfs/dbraw/zinc/05/26/10/1012052610.db2.gz GTHJSQDZLLGPSC-LLVKDONJSA-N -1 0 309.793 3.552 20 0 DHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000654827626 1012073575 /nfs/dbraw/zinc/07/35/75/1012073575.db2.gz AOCJIHZKTRCOQS-VHSXEESVSA-N -1 0 301.308 3.672 20 0 DHADRM CCCCc1[n-]n(-c2cc(Cl)nc3ncccc23)c(=O)c1C ZINC000887294981 1032603732 /nfs/dbraw/zinc/60/37/32/1032603732.db2.gz RXDRXCSIVMJFMS-SNVBAGLBSA-N -1 0 316.792 3.812 20 0 DHADRM CCC[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000036831873 1032604349 /nfs/dbraw/zinc/60/43/49/1032604349.db2.gz PHZUTXZTYBKTNK-VIFPVBQESA-N -1 0 311.790 3.538 20 0 DHADRM CC1(C)C[C@H](n2[n-]c(CCc3ccccc3)cc2=O)C(C)(C)O1 ZINC000887297299 1032606990 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ZINC000182765784 1017951246 /nfs/dbraw/zinc/95/12/46/1017951246.db2.gz AVAWIHUSADAHHZ-UHFFFAOYSA-N -1 0 319.304 3.716 20 0 DHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000362363217 1017952116 /nfs/dbraw/zinc/95/21/16/1017952116.db2.gz YQJOBIKECFGUMD-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM CCCc1cnc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000183196901 1018002236 /nfs/dbraw/zinc/00/22/36/1018002236.db2.gz UUICMDNGRGZHFC-UHFFFAOYSA-N -1 0 316.835 3.550 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262222961 1018003793 /nfs/dbraw/zinc/00/37/93/1018003793.db2.gz REWZMNRJOZEINW-GOSISDBHSA-N -1 0 323.392 3.599 20 0 DHADRM CCC(=O)c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183382247 1018016982 /nfs/dbraw/zinc/01/69/82/1018016982.db2.gz XFCXNZGVAFAORV-UHFFFAOYSA-N -1 0 323.270 3.655 20 0 DHADRM CSc1cc(NC(=O)CC2(C(=O)[O-])CCC2)ccc1Cl ZINC000634841931 1018060617 /nfs/dbraw/zinc/06/06/17/1018060617.db2.gz ARFAIZGTBSQSNS-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM Cc1ccccc1[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)C ZINC000184474335 1018082672 /nfs/dbraw/zinc/08/26/72/1018082672.db2.gz ICKQIUQCZGIBEW-AAEUAGOBSA-N -1 0 323.380 3.562 20 0 DHADRM Cc1ccncc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000154042341 1018098801 /nfs/dbraw/zinc/09/88/01/1018098801.db2.gz LDRHZQPYZMEOCS-UHFFFAOYSA-N -1 0 318.442 3.733 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1OC(C)C ZINC000525020410 1018150450 /nfs/dbraw/zinc/15/04/50/1018150450.db2.gz CKAWRUXQGWUONW-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM COc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1C ZINC000446612223 1018190041 /nfs/dbraw/zinc/19/00/41/1018190041.db2.gz BHOHFQUMNQTDNM-FPLPWBNLSA-N -1 0 312.369 3.786 20 0 DHADRM CC(C)(CC(=O)N[C@@H](c1ccccc1F)C1CCCC1)C(=O)[O-] ZINC000675000438 1018221870 /nfs/dbraw/zinc/22/18/70/1018221870.db2.gz SUMRGMMEWMPQBG-MRXNPFEDSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1ccc(C)c(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000315230768 1032755417 /nfs/dbraw/zinc/75/54/17/1032755417.db2.gz 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1018362292 /nfs/dbraw/zinc/36/22/92/1018362292.db2.gz JYYFREHURVMDIM-WDEREUQCSA-N -1 0 320.742 3.532 20 0 DHADRM Cc1ccc([C@]2(C)CCN(C(=O)c3ccc(F)cc3[O-])C2)cc1 ZINC000447691321 1018458759 /nfs/dbraw/zinc/45/87/59/1018458759.db2.gz QFYKIVKFMUSUAI-LJQANCHMSA-N -1 0 313.372 3.644 20 0 DHADRM Cc1c(-c2cccc(C[C@@H](CC(C)C)C(=O)[O-])c2)cnn1C ZINC000566572087 1018528603 /nfs/dbraw/zinc/52/86/03/1018528603.db2.gz ITCZXQURIHFGAG-MRXNPFEDSA-N -1 0 300.402 3.685 20 0 DHADRM C[C@@H](CC(=O)c1cccc(-c2ccc(C=O)c(F)c2)c1)C(=O)[O-] ZINC000874973772 1032776449 /nfs/dbraw/zinc/77/64/49/1032776449.db2.gz XJBZUCWJGJCFLI-NSHDSACASA-N -1 0 314.312 3.599 20 0 DHADRM O=Cc1cc(C(=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000874969123 1032773972 /nfs/dbraw/zinc/77/39/72/1032773972.db2.gz FIDIVYJWGVXHCP-UHFFFAOYSA-N -1 0 310.227 3.763 20 0 DHADRM O=Cc1cc(-c2ccc3c(c2)CCCC3)ccc1OCC(=O)[O-] ZINC000874969243 1032774435 /nfs/dbraw/zinc/77/44/35/1032774435.db2.gz LNPLDSFMTZCCQR-UHFFFAOYSA-N -1 0 310.349 3.508 20 0 DHADRM O=Cc1ccc(-c2cccc(O[C@@H](C(=O)[O-])c3ccccc3)c2)o1 ZINC000874971516 1032775018 /nfs/dbraw/zinc/77/50/18/1032775018.db2.gz KPHUFXYCLCRWJJ-GOSISDBHSA-N -1 0 322.316 3.964 20 0 DHADRM Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1Cl ZINC000874970430 1032775042 /nfs/dbraw/zinc/77/50/42/1032775042.db2.gz QOLJTFSRTFUVEN-UHFFFAOYSA-N -1 0 304.729 3.591 20 0 DHADRM Cc1ccc(Nc2cccc(Br)n2)cc1C(=O)[O-] ZINC001211592108 1018607998 /nfs/dbraw/zinc/60/79/98/1018607998.db2.gz NSSHRGQMOSNGPI-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1cnc(Nc2ccc(C)c(C(=O)[O-])c2)c(Br)c1 ZINC001211592453 1018610461 /nfs/dbraw/zinc/61/04/61/1018610461.db2.gz ZJABKBDLGKOWRV-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM O=Cc1ccc(-c2ccc(CSCC(=O)[O-])c(F)c2)cc1 ZINC000874972457 1032776068 /nfs/dbraw/zinc/77/60/68/1032776068.db2.gz DCHNBGUJPDOFTJ-UHFFFAOYSA-N -1 0 304.342 3.623 20 0 DHADRM O=Cc1ccc(-c2ccc(O[C@@H](C(=O)[O-])c3ccccc3)cc2)o1 ZINC000874971548 1032773145 /nfs/dbraw/zinc/77/31/45/1032773145.db2.gz MBXRJVMEUAUBOX-GOSISDBHSA-N -1 0 322.316 3.964 20 0 DHADRM Cc1ccc(Nc2ccc(Br)nc2C)cc1C(=O)[O-] ZINC001211594114 1018634069 /nfs/dbraw/zinc/63/40/69/1018634069.db2.gz MIQOJZSLGPVDOQ-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM CC(C)(C)c1ccccc1-c1ccc(OCC(=O)[O-])c(C=O)c1 ZINC000874969114 1032773432 /nfs/dbraw/zinc/77/34/32/1032773432.db2.gz DPDNNOJQNNUFQM-UHFFFAOYSA-N -1 0 312.365 3.927 20 0 DHADRM CC(C)[C@@H](CC(=O)N(CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000675972159 1018640981 /nfs/dbraw/zinc/64/09/81/1018640981.db2.gz QYSBKHSILHKCFV-QGZVFWFLSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])CN(C(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000675993879 1018641480 /nfs/dbraw/zinc/64/14/80/1018641480.db2.gz OGFAXMXUIXPGIW-UHFFFAOYSA-N -1 0 311.381 3.699 20 0 DHADRM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000874972316 1032776613 /nfs/dbraw/zinc/77/66/13/1032776613.db2.gz XXQGEIWECYSWAZ-UHFFFAOYSA-N -1 0 310.227 3.763 20 0 DHADRM O=Cc1ccc(-c2ccccc2-c2cnc(CCC(=O)[O-])o2)cc1 ZINC000874973018 1032776766 /nfs/dbraw/zinc/77/67/66/1032776766.db2.gz UCIHSYWEZLPFAA-UHFFFAOYSA-N -1 0 321.332 3.838 20 0 DHADRM COc1ccc2ncc(Nc3ccc(C)c(C(=O)[O-])c3)cc2c1 ZINC001211596783 1018666103 /nfs/dbraw/zinc/66/61/03/1018666103.db2.gz KAAUTTBWMSBODI-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM Cc1cccc(-n2nccc2Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211599307 1018694781 /nfs/dbraw/zinc/69/47/81/1018694781.db2.gz FDOYIRUZOSXVPX-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM COc1ccccc1-n1nccc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599088 1018695636 /nfs/dbraw/zinc/69/56/36/1018695636.db2.gz AAIIZTIBEBRLAI-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM Cc1ccc(Nc2cccnc2-c2ccccn2)cc1C(=O)[O-] ZINC001211599163 1018697004 /nfs/dbraw/zinc/69/70/04/1018697004.db2.gz CPVGERGLGVUHPU-UHFFFAOYSA-N -1 0 305.337 3.894 20 0 DHADRM COCCOc1ccc(F)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211601942 1018738361 /nfs/dbraw/zinc/73/83/61/1018738361.db2.gz TVUQGNNEDQZLFD-UHFFFAOYSA-N -1 0 319.332 3.601 20 0 DHADRM Cc1ccc(Nc2ccc(-n3ccccc3=O)cc2)cc1C(=O)[O-] ZINC001211606173 1018825531 /nfs/dbraw/zinc/82/55/31/1018825531.db2.gz IZCSSETZSRBOCD-UHFFFAOYSA-N -1 0 320.348 3.588 20 0 DHADRM Cc1ccc(-n2ccc3c2cc(Cl)cc3N)cc1C(=O)[O-] ZINC001211606581 1018841227 /nfs/dbraw/zinc/84/12/27/1018841227.db2.gz UHNJJIYDPQDRHX-UHFFFAOYSA-N -1 0 300.745 3.873 20 0 DHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1O ZINC000010979439 1018851432 /nfs/dbraw/zinc/85/14/32/1018851432.db2.gz SNBMEGGZMGSWGH-UHFFFAOYSA-N -1 0 311.259 3.586 20 0 DHADRM CCc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)ccc1F ZINC000671643209 1018877880 /nfs/dbraw/zinc/87/78/80/1018877880.db2.gz SFIGLBCCQFPVCI-UHFFFAOYSA-N -1 0 307.365 3.752 20 0 DHADRM COC(=O)c1cc(F)c(C)c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211607956 1018890350 /nfs/dbraw/zinc/89/03/50/1018890350.db2.gz FZFCRZFOMUGQTN-UHFFFAOYSA-N -1 0 317.316 3.671 20 0 DHADRM CSCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094809 1018921652 /nfs/dbraw/zinc/92/16/52/1018921652.db2.gz JVXKUHNGWDLPIB-UHFFFAOYSA-N -1 0 301.367 3.500 20 0 DHADRM Cc1sc([C@H](C)NCc2ccc(Cl)s2)nc1C(=O)[O-] ZINC000900074988 1018985461 /nfs/dbraw/zinc/98/54/61/1018985461.db2.gz HAXGPCWDGVVNPI-LURJTMIESA-N -1 0 316.835 3.715 20 0 DHADRM CCCCCc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007055764 1018999270 /nfs/dbraw/zinc/99/92/70/1018999270.db2.gz ATVRPIRURLELPO-UHFFFAOYSA-N -1 0 322.430 3.825 20 0 DHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000007056663 1018999529 /nfs/dbraw/zinc/99/95/29/1018999529.db2.gz PWWVSHITZRTYCL-UHFFFAOYSA-N -1 0 319.860 3.924 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 ZINC000007053123 1018999791 /nfs/dbraw/zinc/99/97/91/1018999791.db2.gz WAEFAQJGBZHDIP-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM O=C(NC1CCC2(CC2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000765642832 1019023508 /nfs/dbraw/zinc/02/35/08/1019023508.db2.gz WQGPXYPBOZPAFJ-UHFFFAOYSA-N -1 0 302.399 3.569 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923095541 1019025264 /nfs/dbraw/zinc/02/52/64/1019025264.db2.gz VNAUVMHLHZJFQM-VHSXEESVSA-N -1 0 321.423 3.867 20 0 DHADRM Cc1cscc1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000387174711 1019055940 /nfs/dbraw/zinc/05/59/40/1019055940.db2.gz IPWFWQKOPSLIBH-GFCCVEGCSA-N -1 0 310.419 3.602 20 0 DHADRM O=C([O-])C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 ZINC000025126179 1019078384 /nfs/dbraw/zinc/07/83/84/1019078384.db2.gz LYEAIDKBYVUJQT-XFXZXTDPSA-N -1 0 324.292 3.751 20 0 DHADRM C[C@@H]1CCc2nc(NC(=O)c3ccc([O-])c(Cl)c3)sc2C1 ZINC000025278556 1019084647 /nfs/dbraw/zinc/08/46/47/1019084647.db2.gz MVPXLXFHRSBZHX-MRVPVSSYSA-N -1 0 322.817 3.879 20 0 DHADRM COc1ccc(Cl)cc1CNc1cc(C(=O)[O-])ccc1OC ZINC000020881443 1032807542 /nfs/dbraw/zinc/80/75/42/1032807542.db2.gz MGNYBRGSBGMQGZ-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)s1 ZINC000080972264 1019136494 /nfs/dbraw/zinc/13/64/94/1019136494.db2.gz HSBBIMCHCXSJKP-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(Br)c(C)n1 ZINC001211615320 1019160612 /nfs/dbraw/zinc/16/06/12/1019160612.db2.gz IXSAQDNLOJPYIK-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1Nc1c(C)nc(Cl)nc1Cl ZINC001211616499 1019176056 /nfs/dbraw/zinc/17/60/56/1019176056.db2.gz LLUCGHWYBLIGDZ-UHFFFAOYSA-N -1 0 312.156 3.842 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000574894754 1019197664 /nfs/dbraw/zinc/19/76/64/1019197664.db2.gz BQUMOHAXPDLMSG-GFCCVEGCSA-N -1 0 310.419 3.602 20 0 DHADRM CN(C)C(=O)c1cccc(Nc2cc(F)c(O)c(Cl)c2)c1 ZINC001214488298 1019199610 /nfs/dbraw/zinc/19/96/10/1019199610.db2.gz AXLWFDMTHSUBQL-UHFFFAOYSA-N -1 0 308.740 3.630 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CSc2ccccc21 ZINC000077012479 1019216456 /nfs/dbraw/zinc/21/64/56/1019216456.db2.gz UZWNHEALVHUICS-JTQLQIEISA-N -1 0 305.786 3.874 20 0 DHADRM Cn1cnc2cc(NC(=O)c3ccc4[n-]c(=S)oc4c3)ccc21 ZINC000074221063 1019253645 /nfs/dbraw/zinc/25/36/45/1019253645.db2.gz AYBKVMMOMDHTDQ-UHFFFAOYSA-N -1 0 324.365 3.629 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2ncc3ccccc3c2O)c(C)o1 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CCC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000732258295 1020217491 /nfs/dbraw/zinc/21/74/91/1020217491.db2.gz QRXOGLDTPBEJFU-HNNXBMFYSA-N -1 0 321.380 3.607 20 0 DHADRM CCCc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000732263510 1020218983 /nfs/dbraw/zinc/21/89/83/1020218983.db2.gz PVSXUEVHLOVKJC-UHFFFAOYSA-N -1 0 307.353 3.540 20 0 DHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000054828412 1020403872 /nfs/dbraw/zinc/40/38/72/1020403872.db2.gz YBJNQMVAVKCKTB-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM Cc1cccc(C2(C(=O)[N-]OCc3ccccn3)CCCCC2)c1 ZINC001626090972 1020501325 /nfs/dbraw/zinc/50/13/25/1020501325.db2.gz FEGMTZJBYHIOHC-UHFFFAOYSA-N -1 0 324.424 3.840 20 0 DHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000673897370 1020543456 /nfs/dbraw/zinc/54/34/56/1020543456.db2.gz CNZCZBSUJFIYEL-UHFFFAOYSA-N -1 0 322.430 3.724 20 0 DHADRM Cc1cnn(CC2CCC2)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512581 1020580314 /nfs/dbraw/zinc/58/03/14/1020580314.db2.gz TYQOYOGBCCZMLO-UHFFFAOYSA-N -1 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O=S(=O)([N-]c1cccc(SC(F)F)c1)c1cccs1 ZINC000066588474 1020954288 /nfs/dbraw/zinc/95/42/88/1020954288.db2.gz QNACJRWEHYYDEJ-UHFFFAOYSA-N -1 0 321.395 3.864 20 0 DHADRM CCc1cc(=O)[nH]c(CN(CC)c2cccc3ccccc32)n1 ZINC001171944170 1032946398 /nfs/dbraw/zinc/94/63/98/1032946398.db2.gz XQBHIWOGGYPLED-UHFFFAOYSA-N -1 0 307.397 3.924 20 0 DHADRM Cc1ccc(CN=c2nc(Cc3ccccc3)[n-]s2)s1 ZINC000461206249 1021026733 /nfs/dbraw/zinc/02/67/33/1021026733.db2.gz FVWVJWAXHSRRGI-UHFFFAOYSA-N -1 0 301.440 3.533 20 0 DHADRM Cn1ccc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc21 ZINC000175635072 1021065582 /nfs/dbraw/zinc/06/55/82/1021065582.db2.gz ZLAWSOTXRCCUQU-UHFFFAOYSA-N -1 0 300.745 3.790 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccccc1C ZINC000659118535 1021183068 /nfs/dbraw/zinc/18/30/68/1021183068.db2.gz INEWSFWYVSKDQB-HNNXBMFYSA-N -1 0 313.353 3.572 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1cccs1 ZINC000659121228 1021185022 /nfs/dbraw/zinc/18/50/22/1021185022.db2.gz RHIGCNQPRAYLKB-CQSZACIVSA-N -1 0 315.394 3.571 20 0 DHADRM O=C([O-])CCN(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000659125197 1021187459 /nfs/dbraw/zinc/18/74/59/1021187459.db2.gz GPFPDLOENVHUGV-UHFFFAOYSA-N -1 0 323.801 3.634 20 0 DHADRM Cc1cc(NC(=O)C(C)(C)CC(F)(F)F)ccc1C(=O)[O-] ZINC000659135449 1021197000 /nfs/dbraw/zinc/19/70/00/1021197000.db2.gz QTHMDMWGBIVDPV-UHFFFAOYSA-N -1 0 303.280 3.610 20 0 DHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653284712 1021204938 /nfs/dbraw/zinc/20/49/38/1021204938.db2.gz QZHVIGGEYVVJRI-SFHVURJKSA-N -1 0 317.385 3.574 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000659145178 1021206962 /nfs/dbraw/zinc/20/69/62/1021206962.db2.gz NEOTWFYRKRIQMS-RBSFLKMASA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCC3(CCCC3)CC2)c(F)c1 ZINC000659173518 1021224825 /nfs/dbraw/zinc/22/48/25/1021224825.db2.gz NWBOXBBWUYQWBK-UHFFFAOYSA-N -1 0 319.376 3.710 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(F)cc1SC)C(=O)[O-] ZINC000647599659 1021227457 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DHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCC2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000659195036 1021244458 /nfs/dbraw/zinc/24/44/58/1021244458.db2.gz OCVRPKMAMCNPIL-BBWFWOEESA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)c1ccsc1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659225013 1021263113 /nfs/dbraw/zinc/26/31/13/1021263113.db2.gz GFLMNGFHFYQXLM-UHFFFAOYSA-N -1 0 321.373 3.639 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000659235252 1021276092 /nfs/dbraw/zinc/27/60/92/1021276092.db2.gz CJMNWERZOLYUTD-BXWFABGCSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1ccc2c(C(=O)N[C@@H]3CCC[C@@]3(C)C(=O)[O-])csc2c1 ZINC000659237140 1021278037 /nfs/dbraw/zinc/27/80/37/1021278037.db2.gz AGYXDXYUQUOHFK-RHSMWYFYSA-N -1 0 317.410 3.583 20 0 DHADRM CCO[N-]C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000106754397 1021279973 /nfs/dbraw/zinc/27/99/73/1021279973.db2.gz KVWUPDAGWAPQOO-HNNXBMFYSA-N -1 0 323.364 3.866 20 0 DHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000252728134 1021306689 /nfs/dbraw/zinc/30/66/89/1021306689.db2.gz ZZPVUGZAYCBQHF-ZNWBZCOPSA-N -1 0 318.200 3.697 20 0 DHADRM Cc1cc(C)c(-c2ccc(O[C@@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000572542941 1021420844 /nfs/dbraw/zinc/42/08/44/1021420844.db2.gz RWTIRMZLJRUZKG-MRXNPFEDSA-N -1 0 312.365 3.836 20 0 DHADRM CO[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])C1CCCCC1 ZINC000613590264 1021483040 /nfs/dbraw/zinc/48/30/40/1021483040.db2.gz IZOXQNDHVJECIN-CQSZACIVSA-N -1 0 315.772 3.719 20 0 DHADRM CC[C@@H]1CCC[C@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C1 ZINC000319995393 1021578098 /nfs/dbraw/zinc/57/80/98/1021578098.db2.gz DBMTVQGCZOLOKC-KGLIPLIRSA-N -1 0 303.402 3.700 20 0 DHADRM CCCCC[C@H](NC(=O)CC/C=C/c1ccccc1)C(=O)[O-] ZINC000236640266 1021609583 /nfs/dbraw/zinc/60/95/83/1021609583.db2.gz RVGYURMUFICALR-RCLKMUNOSA-N -1 0 303.402 3.630 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccsc1 ZINC000737565066 1021664143 /nfs/dbraw/zinc/66/41/43/1021664143.db2.gz ANMVQGFETYICSF-TZOMUSMUSA-N -1 0 301.367 3.588 20 0 DHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000498489947 1021682490 /nfs/dbraw/zinc/68/24/90/1021682490.db2.gz NKFSLAGWRGGXLD-UHFFFAOYSA-N -1 0 323.389 3.804 20 0 DHADRM CC(C)(C)c1nccc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1 ZINC001236145262 1021685126 /nfs/dbraw/zinc/68/51/26/1021685126.db2.gz XGFWGQLDAPEJLJ-UHFFFAOYSA-N -1 0 308.740 3.932 20 0 DHADRM CC(C)N(C)c1cccc(NC(=O)c2ccc(O)cc2F)c1 ZINC000154879515 1021704783 /nfs/dbraw/zinc/70/47/83/1021704783.db2.gz RMFVQRUVPFACHK-UHFFFAOYSA-N -1 0 302.349 3.628 20 0 DHADRM CC(C)c1cccc(O[C@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000154914691 1021728196 /nfs/dbraw/zinc/72/81/96/1021728196.db2.gz GDTCYNGSYLUNKA-LLVKDONJSA-N -1 0 319.323 3.578 20 0 DHADRM COc1ccc2ncc(Nc3ccc(C(=O)[O-])c(C)c3)cc2c1 ZINC001211650307 1021772441 /nfs/dbraw/zinc/77/24/41/1021772441.db2.gz YWOPLLJAHZHDPN-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM CCN(CC)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000177023228 1021847994 /nfs/dbraw/zinc/84/79/94/1021847994.db2.gz ZRKWADNZVDQDLI-UHFFFAOYSA-N -1 0 320.339 3.769 20 0 DHADRM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000746100840 1021849592 /nfs/dbraw/zinc/84/95/92/1021849592.db2.gz WNGIGQIIUXRUGJ-LLVKDONJSA-N -1 0 312.394 3.650 20 0 DHADRM C[C@@H](Cc1ccsc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746153029 1021879088 /nfs/dbraw/zinc/87/90/88/1021879088.db2.gz OXNUNNGCXFQYHF-VIFPVBQESA-N -1 0 318.423 3.539 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3[n-]c(=S)oc3c1)CC2 ZINC000746229082 1021895014 /nfs/dbraw/zinc/89/50/14/1021895014.db2.gz HTPSFRCTDUUUQZ-AWEZNQCLSA-N -1 0 324.405 3.842 20 0 DHADRM O=C(Nc1cccc2ccc(O)cc21)c1c([O-])cc(F)cc1F ZINC000184063219 1021918357 /nfs/dbraw/zinc/91/83/57/1021918357.db2.gz WBDIQLHRMOYVNC-UHFFFAOYSA-N -1 0 315.275 3.782 20 0 DHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)sc1C ZINC000013427702 1021946545 /nfs/dbraw/zinc/94/65/45/1021946545.db2.gz YEMMUKOZHSJYPT-AWEZNQCLSA-N -1 0 317.410 3.565 20 0 DHADRM C[C@@H](CCNC(=O)c1ccc(/C=C/C(=O)[O-])o1)CC(C)(C)C ZINC000851605864 1021951310 /nfs/dbraw/zinc/95/13/10/1021951310.db2.gz NNPTYUAOGXTITE-WMADIVHISA-N -1 0 307.390 3.570 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000851623689 1021951737 /nfs/dbraw/zinc/95/17/37/1021951737.db2.gz CYRTWHWTZRMBIA-CYBMUJFWSA-N -1 0 321.804 3.691 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)o1 ZINC000851624158 1021952344 /nfs/dbraw/zinc/95/23/44/1021952344.db2.gz CJNITZBAWRTSDY-QSYFUGGGSA-N -1 0 317.385 3.562 20 0 DHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCC(F)CC1 ZINC000619955905 1021968197 /nfs/dbraw/zinc/96/81/97/1021968197.db2.gz RENBUYDXAOSCRL-FKTRJACZSA-N -1 0 317.763 3.831 20 0 DHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000190651767 1021986609 /nfs/dbraw/zinc/98/66/09/1021986609.db2.gz VUYNVXFJAYYZSU-AWEZNQCLSA-N -1 0 321.417 3.923 20 0 DHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000190664035 1021991644 /nfs/dbraw/zinc/99/16/44/1021991644.db2.gz KDCKUCHSLBNCJE-TZMCWYRMSA-N -1 0 321.417 3.779 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000619966242 1021992666 /nfs/dbraw/zinc/99/26/66/1021992666.db2.gz JKCHOWMMBQRBKX-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM O=C([O-])C1CCC(C(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000194424818 1022034417 /nfs/dbraw/zinc/03/44/17/1022034417.db2.gz JGYVPWKQDBYVLV-UHFFFAOYSA-N -1 0 321.461 3.840 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000659145171 1022099176 /nfs/dbraw/zinc/09/91/76/1022099176.db2.gz NEOTWFYRKRIQMS-KFWWJZLASA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc(N(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000183616109 1022213945 /nfs/dbraw/zinc/21/39/45/1022213945.db2.gz QOEMZTYIHVVVBV-UHFFFAOYSA-N -1 0 311.715 3.909 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000634819123 1022253406 /nfs/dbraw/zinc/25/34/06/1022253406.db2.gz IHUGCOYRNYYJFU-ZJUUUORDSA-N -1 0 313.806 3.501 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000781436921 1022263575 /nfs/dbraw/zinc/26/35/75/1022263575.db2.gz RZMQZCCYYJYEQB-LLVKDONJSA-N -1 0 315.344 3.551 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C\C1CCCCC1 ZINC000776672194 1022271131 /nfs/dbraw/zinc/27/11/31/1022271131.db2.gz CFTIJHLXJGCCNO-CPFIRTDXSA-N -1 0 315.413 3.764 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000136355318 1022277719 /nfs/dbraw/zinc/27/77/19/1022277719.db2.gz JENJCZQFNHVFET-CHWSQXEVSA-N -1 0 311.447 3.987 20 0 DHADRM COc1ccc(-c2nn[nH]n2)cc1N[C@H]1C[C@H](C)c2ccccc21 ZINC001169383137 1022386600 /nfs/dbraw/zinc/38/66/00/1022386600.db2.gz ZYPJZUXXEUHRJT-NHYWBVRUSA-N -1 0 321.384 3.536 20 0 DHADRM COc1ccc(-c2nn[nH]n2)cc1N[C@H]1C[C@@H](C)c2ccccc21 ZINC001169383135 1022386810 /nfs/dbraw/zinc/38/68/10/1022386810.db2.gz ZYPJZUXXEUHRJT-ABAIWWIYSA-N -1 0 321.384 3.536 20 0 DHADRM O=c1cc(CNc2cnc3ccc(C(F)(F)F)cc3c2)o[n-]1 ZINC001169485754 1022423766 /nfs/dbraw/zinc/42/37/66/1022423766.db2.gz YXTBZARMWYLIPO-UHFFFAOYSA-N -1 0 309.247 3.559 20 0 DHADRM CC(C)CCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281602 1022442118 /nfs/dbraw/zinc/44/21/18/1022442118.db2.gz SOZRXRMKPNFZSO-UHFFFAOYSA-N -1 0 301.390 3.937 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C[C@H]1C ZINC000615280681 1022442682 /nfs/dbraw/zinc/44/26/82/1022442682.db2.gz HEKOXLNQZNYXBL-YRGRVCCFSA-N -1 0 313.401 3.793 20 0 DHADRM O=C(N[C@@H](c1ccccc1)C1CC1)c1c([O-])cc(F)cc1F ZINC000620966063 1022456333 /nfs/dbraw/zinc/45/63/33/1022456333.db2.gz SFOYMPJUMAQGGJ-INIZCTEOSA-N -1 0 303.308 3.552 20 0 DHADRM O=C(NCc1cc2c(s1)CCCC2)c1c([O-])cc(F)cc1F ZINC000620969355 1022469067 /nfs/dbraw/zinc/46/90/67/1022469067.db2.gz WLLMAXLLZGEVMY-UHFFFAOYSA-N -1 0 323.364 3.541 20 0 DHADRM CC(C)c1ccc(SCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766776200 1022490445 /nfs/dbraw/zinc/49/04/45/1022490445.db2.gz PECGRXRVZFNNQI-UHFFFAOYSA-N -1 0 307.337 3.512 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000237687073 1022497866 /nfs/dbraw/zinc/49/78/66/1022497866.db2.gz BTOLLQDNFZFOAX-WUXMJOGZSA-N -1 0 323.392 3.973 20 0 DHADRM CSc1cnc(Cl)c(NCc2ncccc2O)c1Cl ZINC001169732100 1022525489 /nfs/dbraw/zinc/52/54/89/1022525489.db2.gz HXQKNKBTSLFSHZ-UHFFFAOYSA-N -1 0 316.213 3.823 20 0 DHADRM Cc1cc(Nc2c[nH]c(C(F)(F)F)cc2=O)ccc1C(=O)[O-] ZINC001211652760 1022535288 /nfs/dbraw/zinc/53/52/88/1022535288.db2.gz OONKTNXGGOKLSL-UHFFFAOYSA-N -1 0 312.247 3.556 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1conc1C1CCCC1 ZINC000867012451 1022587307 /nfs/dbraw/zinc/58/73/07/1022587307.db2.gz GWUUCDNEMUDPQN-UHFFFAOYSA-N -1 0 306.749 3.944 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)C=C1CCCCC1)C(=O)[O-] ZINC000766898601 1022598916 /nfs/dbraw/zinc/59/89/16/1022598916.db2.gz CPXGIOYTUPFVKR-OAHLLOKOSA-N -1 0 315.413 3.626 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000767072859 1022636371 /nfs/dbraw/zinc/63/63/71/1022636371.db2.gz LAMROFSBHMBZBV-QGZVFWFLSA-N -1 0 315.413 3.717 20 0 DHADRM CC(C)(CNC(=O)c1ccc([O-])c(Cl)c1)CC(F)(F)F ZINC000621229736 1022643749 /nfs/dbraw/zinc/64/37/49/1022643749.db2.gz FPVCCXQTUJJLFD-UHFFFAOYSA-N -1 0 309.715 3.754 20 0 DHADRM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc(F)c(F)c1[O-] ZINC000616195283 1022661981 /nfs/dbraw/zinc/66/19/81/1022661981.db2.gz UUGXDHTVUFJTAT-QMTHXVAHSA-N -1 0 317.282 3.825 20 0 DHADRM CCCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])CC(F)F ZINC000584785344 1022739531 /nfs/dbraw/zinc/73/95/31/1022739531.db2.gz HNIDKZYNAVVLPK-UHFFFAOYSA-N -1 0 324.327 3.517 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000236694715 1022752302 /nfs/dbraw/zinc/75/23/02/1022752302.db2.gz XVGMNVSHNQKSBT-BLLLJJGKSA-N -1 0 311.447 3.782 20 0 DHADRM O=C([N-]OCc1ccc(F)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000184196743 1022774710 /nfs/dbraw/zinc/77/47/10/1022774710.db2.gz LPLJNWKRGXWUCR-UHFFFAOYSA-N -1 0 319.763 3.759 20 0 DHADRM CCCC[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(C)C ZINC000621536135 1022780797 /nfs/dbraw/zinc/78/07/97/1022780797.db2.gz AOFKTCBDAYUPFN-GJZGRUSLSA-N -1 0 311.466 3.798 20 0 DHADRM CCCC[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(C)C ZINC000621558801 1022786458 /nfs/dbraw/zinc/78/64/58/1022786458.db2.gz RJCCQUJJPUIQRJ-INIZCTEOSA-N -1 0 303.402 3.689 20 0 DHADRM CCCc1csc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000417571646 1022787959 /nfs/dbraw/zinc/78/79/59/1022787959.db2.gz XLPSGPAHPOJVJK-AWEZNQCLSA-N -1 0 324.833 3.665 20 0 DHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)s1 ZINC000417563593 1022789417 /nfs/dbraw/zinc/78/94/17/1022789417.db2.gz DRCHIUHZYOIHIT-CQSZACIVSA-N -1 0 324.833 3.583 20 0 DHADRM Cc1c(NCc2cnc([C@H]3CCCO3)s2)cccc1C(=O)[O-] ZINC000417578757 1022791505 /nfs/dbraw/zinc/79/15/05/1022791505.db2.gz OHVYCCMBDLDWOF-CQSZACIVSA-N -1 0 318.398 3.613 20 0 DHADRM C[C@@H]1CCCC[C@H]1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588800 1022797925 /nfs/dbraw/zinc/79/79/25/1022797925.db2.gz GTKMYKZKFRTGKG-MXASKKJJSA-N -1 0 315.413 3.630 20 0 DHADRM C[C@H]1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1Cl ZINC000042781517 1022912053 /nfs/dbraw/zinc/91/20/53/1022912053.db2.gz LEQZDVPAJGGIFO-QMMMGPOBSA-N -1 0 308.790 3.618 20 0 DHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000780420295 1022942577 /nfs/dbraw/zinc/94/25/77/1022942577.db2.gz JHNSIMUBRXNZHK-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM Cc1cc(Nc2cnc3cc(C4CCC4)nn3c2)ccc1C(=O)[O-] ZINC001211655138 1022948586 /nfs/dbraw/zinc/94/85/86/1022948586.db2.gz OJGHJKHVCZHYFP-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM COc1cc(C=CC(=O)c2sccc2[O-])cc(Cl)c1O ZINC000184517704 1022957704 /nfs/dbraw/zinc/95/77/04/1022957704.db2.gz MBXMSOSUGFHKFM-NSCUHMNNSA-N -1 0 310.758 3.717 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)sc1Cl ZINC000191554693 1022970719 /nfs/dbraw/zinc/97/07/19/1022970719.db2.gz NWAJJDKUXRVMLR-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM Cc1c(NC(=O)c2ccc3oc(=S)[n-]c3c2)n[nH]c1C(C)C ZINC000857294566 1022982913 /nfs/dbraw/zinc/98/29/13/1022982913.db2.gz IVMVOWMZUACYOD-UHFFFAOYSA-N -1 0 316.386 3.524 20 0 DHADRM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)c2c(O)cccc21 ZINC000768664276 1023007037 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ZINC000769248282 1023109421 /nfs/dbraw/zinc/10/94/21/1023109421.db2.gz VSQHHOBSKFTFQX-UHFFFAOYSA-N -1 0 312.394 3.996 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc2c1CCC2 ZINC000769248175 1023109561 /nfs/dbraw/zinc/10/95/61/1023109561.db2.gz RLTYQFZGDSGOLM-UHFFFAOYSA-N -1 0 310.378 3.858 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2ccsc2[nH]1 ZINC000769302510 1023115533 /nfs/dbraw/zinc/11/55/33/1023115533.db2.gz RVVGCPDUSOVKIE-UHFFFAOYSA-N -1 0 315.379 3.912 20 0 DHADRM CC(C)CN(C(=O)c1s[n-]c(=O)c1Cl)C1CCCC1 ZINC000622334515 1023118165 /nfs/dbraw/zinc/11/81/65/1023118165.db2.gz PDVVSTKDKJEFEB-UHFFFAOYSA-N -1 0 302.827 3.543 20 0 DHADRM COCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211657689 1023132295 /nfs/dbraw/zinc/13/22/95/1023132295.db2.gz XBRDIOQXDIIDMB-UHFFFAOYSA-N -1 0 319.332 3.601 20 0 DHADRM O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)[C@@H]1CCCC(F)(F)C1 ZINC000337632277 1033110332 /nfs/dbraw/zinc/11/03/32/1033110332.db2.gz YUORRUVJVQZNLK-LLVKDONJSA-N -1 0 321.327 3.546 20 0 DHADRM 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316.382 3.554 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=C(C2CC2)C2CC2)c(C)c1 ZINC000054424553 1024914525 /nfs/dbraw/zinc/91/45/25/1024914525.db2.gz AGNXOIWDUYNQEV-UHFFFAOYSA-N -1 0 319.426 3.695 20 0 DHADRM Cc1ccc(C)c(C(=O)NCC(C)(C)CC(C)C)c1C(=O)[O-] ZINC000391104893 1024922709 /nfs/dbraw/zinc/92/27/09/1024922709.db2.gz YGIGLVDVPGCUHF-UHFFFAOYSA-N -1 0 305.418 3.804 20 0 DHADRM CC[C@](C)(CC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000634860386 1024923913 /nfs/dbraw/zinc/92/39/13/1024923913.db2.gz SHCNYOLYBNMRCU-BDJLRTHQSA-N -1 0 311.809 3.750 20 0 DHADRM COc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000119110826 1024948848 /nfs/dbraw/zinc/94/88/48/1024948848.db2.gz XQANYLGPCSYAPX-OAHLLOKOSA-N -1 0 315.344 3.517 20 0 DHADRM COc1ccc(NC(=O)Nc2ccc([S-])c(OC)c2)c(C)c1 ZINC001202727971 1025095886 /nfs/dbraw/zinc/09/58/86/1025095886.db2.gz LTGSGKYWBWCYDD-UHFFFAOYSA-N -1 0 318.398 3.945 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000263550213 1025133447 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O=S(=O)([N-]c1csc(Cl)c1)c1cccc(Cl)c1 ZINC001256722864 1027805705 /nfs/dbraw/zinc/80/57/05/1027805705.db2.gz NCWHYYWHACZTPF-UHFFFAOYSA-N -1 0 308.211 3.856 20 0 DHADRM Cc1cc(Cl)ccc1-c1cc(C(F)(F)F)c(C(=O)[O-])nn1 ZINC001245087154 1027812909 /nfs/dbraw/zinc/81/29/09/1027812909.db2.gz GQJASHZYFGPTOF-UHFFFAOYSA-N -1 0 316.666 3.822 20 0 DHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C(/C)C(C)(C)C ZINC000814019328 1027813709 /nfs/dbraw/zinc/81/37/09/1027813709.db2.gz XOAHQNXEMSIXAC-WIDZWVOGSA-N -1 0 323.458 3.576 20 0 DHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C\C(C)(C)C ZINC000814020670 1027815450 /nfs/dbraw/zinc/81/54/50/1027815450.db2.gz DSLDDEUNMWACSR-WIDZWVOGSA-N -1 0 323.458 3.576 20 0 DHADRM CC1=CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000563279833 1027973548 /nfs/dbraw/zinc/97/35/48/1027973548.db2.gz FOLSOSFFJORGDN-ZDUSSCGKSA-N -1 0 300.185 3.771 20 0 DHADRM Cc1ccccc1-c1nc(=N[C@@H](c2cccnc2)C2CC2)s[n-]1 ZINC000527942320 1027977327 /nfs/dbraw/zinc/97/73/27/1027977327.db2.gz 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O=c1cc(C2CC2)[n-]n1-c1ccc(Cl)c(Br)c1 ZINC000899363734 1034601099 /nfs/dbraw/zinc/60/10/99/1034601099.db2.gz SJNAJTDZWWKALT-UHFFFAOYSA-N -1 0 313.582 3.605 20 0 DHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2cc[nH]c2c1 ZINC001174749916 1034607881 /nfs/dbraw/zinc/60/78/81/1034607881.db2.gz FXESBSOPGQWHMB-UHFFFAOYSA-N -1 0 322.773 3.812 20 0 DHADRM CO[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])s3)cccc21 ZINC001174807889 1034633145 /nfs/dbraw/zinc/63/31/45/1034633145.db2.gz LFZQUPSUCZABDR-NSHDSACASA-N -1 0 305.355 3.660 20 0 DHADRM CCOC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174808425 1034633156 /nfs/dbraw/zinc/63/31/56/1034633156.db2.gz VFOULHLQYYQMIC-UHFFFAOYSA-N -1 0 306.343 3.758 20 0 DHADRM Nc1cc(Br)cc(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174808314 1034633540 /nfs/dbraw/zinc/63/35/40/1034633540.db2.gz TUXWSQKRJPEKEA-UHFFFAOYSA-N -1 0 313.176 3.535 20 0 DHADRM Cc1cc(=O)oc2cc(Nc3ccc(C(=O)[O-])s3)ccc12 ZINC001174810754 1034635620 /nfs/dbraw/zinc/63/56/20/1034635620.db2.gz RLJIBTOIBHIJMA-UHFFFAOYSA-N -1 0 301.323 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Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(-c2cccc(C)c2)n1 ZINC001174952407 1034705763 /nfs/dbraw/zinc/70/57/63/1034705763.db2.gz YCGMBIBBZMLYHB-UHFFFAOYSA-N -1 0 321.380 3.860 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cccc(C(F)(F)F)c2O)cc1 ZINC001174956849 1034706501 /nfs/dbraw/zinc/70/65/01/1034706501.db2.gz QKOXZPLELVZGCI-UHFFFAOYSA-N -1 0 311.259 3.782 20 0 DHADRM COc1cc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)c(OC)c1 ZINC001174954504 1034707146 /nfs/dbraw/zinc/70/71/46/1034707146.db2.gz MZGMVQKGZBMXQO-UHFFFAOYSA-N -1 0 321.760 3.728 20 0 DHADRM CO[C@@H]1CCOc2c(Nc3ccc(CC(=O)[O-])cc3)cccc21 ZINC001174956888 1034707176 /nfs/dbraw/zinc/70/71/76/1034707176.db2.gz SGCWQHJKVHNVHO-MRXNPFEDSA-N -1 0 313.353 3.527 20 0 DHADRM O=c1ccn(-c2ccc(Nc3c(F)ccc(F)c3F)cc2)[n-]1 ZINC001175030178 1034760644 /nfs/dbraw/zinc/76/06/44/1034760644.db2.gz IRFCZIONDLZJDR-UHFFFAOYSA-N -1 0 305.259 3.739 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnc3ccc(Cl)cc32)cc1F ZINC001175154336 1034817097 /nfs/dbraw/zinc/81/70/97/1034817097.db2.gz 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334356678 /nfs/dbraw/zinc/35/66/78/334356678.db2.gz QBKCXYYTBSGBTG-UHFFFAOYSA-N -1 0 320.352 3.859 20 0 DHADRM CC[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000532000381 334367946 /nfs/dbraw/zinc/36/79/46/334367946.db2.gz VHYPDCJGKSIERA-OAHLLOKOSA-N -1 0 317.429 3.864 20 0 DHADRM Cc1nc(=N[C@@H](C)c2ccc(Oc3cccnc3)cc2)s[n-]1 ZINC000340796356 334386211 /nfs/dbraw/zinc/38/62/11/334386211.db2.gz LEAACDSUSKHXDD-NSHDSACASA-N -1 0 312.398 3.629 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(Cl)c1 ZINC000443407336 338450965 /nfs/dbraw/zinc/45/09/65/338450965.db2.gz CXCQWJJJAYKXAE-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CN(C(=O)c1s[n-]c(=O)c1Cl)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416282364 334659428 /nfs/dbraw/zinc/65/94/28/334659428.db2.gz CDZRWPCHVBDAMR-BDAKNGLRSA-N -1 0 316.854 3.789 20 0 DHADRM CCc1csc(N[C@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC000416442164 334668534 /nfs/dbraw/zinc/66/85/34/334668534.db2.gz FLOVHGYSMNMAIG-CQSZACIVSA-N -1 0 304.415 3.594 20 0 DHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000330678325 334803899 /nfs/dbraw/zinc/80/38/99/334803899.db2.gz JYSWPQSERTZJJO-UHFFFAOYSA-N -1 0 316.473 3.594 20 0 DHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000331041454 334831357 /nfs/dbraw/zinc/83/13/57/334831357.db2.gz DNTIHGVAMCRGIL-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)CC2(CCCC2)O1 ZINC000189948782 334917200 /nfs/dbraw/zinc/91/72/00/334917200.db2.gz GATAKUDOLFGAAD-UHFFFAOYSA-N -1 0 323.820 3.609 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000344434333 335253699 /nfs/dbraw/zinc/25/36/99/335253699.db2.gz BBLHURWGRMWDLC-INIZCTEOSA-N -1 0 323.392 3.511 20 0 DHADRM Cc1cc(NC(=O)NCCCCCC(=O)[O-])cc(C)c1Cl ZINC000417796383 335294904 /nfs/dbraw/zinc/29/49/04/335294904.db2.gz PKACAZCEUANFRX-UHFFFAOYSA-N -1 0 312.797 3.723 20 0 DHADRM O=c1nc([C@H]2CSc3ccccc3O2)[n-]c2ccsc21 ZINC000345192940 335306648 /nfs/dbraw/zinc/30/66/48/335306648.db2.gz UVTVFNMODVFNTC-SNVBAGLBSA-N -1 0 302.380 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ZINC000037716390 336127410 /nfs/dbraw/zinc/12/74/10/336127410.db2.gz SRNRLRFRTZWWBW-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM CCc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)o1 ZINC000331767434 336147957 /nfs/dbraw/zinc/14/79/57/336147957.db2.gz BHLRTIVFVKWARD-CYBMUJFWSA-N -1 0 303.333 3.664 20 0 DHADRM Cc1ccc2c(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])csc2c1 ZINC000331989447 336155169 /nfs/dbraw/zinc/15/51/69/336155169.db2.gz MHWNBZZRCJLGBJ-ABAIWWIYSA-N -1 0 317.410 3.535 20 0 DHADRM O=C(c1cc(Cl)ccc1[O-])N1CCc2c1cc(F)cc2F ZINC000192608197 336186177 /nfs/dbraw/zinc/18/61/77/336186177.db2.gz AIIANRSXASUBFT-UHFFFAOYSA-N -1 0 309.699 3.527 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000324453958 336221051 /nfs/dbraw/zinc/22/10/51/336221051.db2.gz ZOYBFZFDLSBBEI-SFHVURJKSA-N -1 0 323.392 3.634 20 0 DHADRM Oc1ccc(F)c(CNCc2cccc3cccnc32)c1F ZINC000352791621 336237072 /nfs/dbraw/zinc/23/70/72/336237072.db2.gz QKDPOQCEWVLKGS-UHFFFAOYSA-N -1 0 300.308 3.508 20 0 DHADRM [O-]c1cc(Br)ccc1-c1nc(C2CCCC2)no1 ZINC000104418335 336253756 /nfs/dbraw/zinc/25/37/56/336253756.db2.gz ANIUTBCEPXGHIW-UHFFFAOYSA-N -1 0 309.163 3.862 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000532595379 336256701 /nfs/dbraw/zinc/25/67/01/336256701.db2.gz VSQYNDVKDQBTIN-ZDUSSCGKSA-N -1 0 303.402 3.608 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC000532874636 336273777 /nfs/dbraw/zinc/27/37/77/336273777.db2.gz PZWVNEOEOKVJBG-KFWWJZLASA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000192893932 336281812 /nfs/dbraw/zinc/28/18/12/336281812.db2.gz IMRFHKDONBYDBO-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000192945450 336285577 /nfs/dbraw/zinc/28/55/77/336285577.db2.gz DQEMFVWXGXXZGV-LBPRGKRZSA-N -1 0 315.394 3.700 20 0 DHADRM O=C([O-])[C@H]1CCN(CC2CCC(F)(F)CC2)c2ccccc21 ZINC000514616048 336386433 /nfs/dbraw/zinc/38/64/33/336386433.db2.gz HRCQNFQOUZDWBX-AWEZNQCLSA-N -1 0 309.356 3.890 20 0 DHADRM COc1ccc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])cc1OC ZINC000563976708 336389413 /nfs/dbraw/zinc/38/94/13/336389413.db2.gz ZRHXMBITFPWHOD-LBPRGKRZSA-N -1 0 316.353 3.531 20 0 DHADRM O=C(Cc1noc2ccccc12)Nc1cc(F)cc(Cl)c1[O-] ZINC000353893415 336446320 /nfs/dbraw/zinc/44/63/20/336446320.db2.gz KQRGMBHNCVIZFO-UHFFFAOYSA-N -1 0 320.707 3.507 20 0 DHADRM O=C(CCc1ccoc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000354420223 336470179 /nfs/dbraw/zinc/47/01/79/336470179.db2.gz QAMDPHCXUVPGRY-UHFFFAOYSA-N -1 0 300.141 3.863 20 0 DHADRM CC[C@H](C)c1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)on1 ZINC000356630729 336556699 /nfs/dbraw/zinc/55/66/99/336556699.db2.gz QZZVZVXVSDPICJ-QMMMGPOBSA-N -1 0 318.358 3.552 20 0 DHADRM COc1ccc(-c2csc(-c3ccoc3)n2)c2occ([O-])c21 ZINC000356967465 336567598 /nfs/dbraw/zinc/56/75/98/336567598.db2.gz VVRBZKVMKUQCFG-UHFFFAOYSA-N -1 0 313.334 3.654 20 0 DHADRM CCc1noc(C)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000361576375 336763510 /nfs/dbraw/zinc/76/35/10/336763510.db2.gz GKLUYYDUDNWQIB-UHFFFAOYSA-N -1 0 315.156 3.810 20 0 DHADRM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000362181855 336787021 /nfs/dbraw/zinc/78/70/21/336787021.db2.gz LHTQLFLGNSGFNC-UHFFFAOYSA-N -1 0 323.345 3.570 20 0 DHADRM CC[C@](C)(NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000362347007 336793312 /nfs/dbraw/zinc/79/33/12/336793312.db2.gz PUANUOYINSFJKK-ACJLOTCBSA-N -1 0 305.418 3.673 20 0 DHADRM CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000362597362 336805786 /nfs/dbraw/zinc/80/57/86/336805786.db2.gz WQXBKZNENNJYMJ-UHFFFAOYSA-N -1 0 317.429 3.582 20 0 DHADRM Cc1oc(CN(C)C(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000362745359 336810584 /nfs/dbraw/zinc/81/05/84/336810584.db2.gz OHKABANTWTUSIX-UHFFFAOYSA-N -1 0 323.348 3.712 20 0 DHADRM Cc1ccccc1C1=CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000368763513 336851920 /nfs/dbraw/zinc/85/19/20/336851920.db2.gz UHRMLSXBVWVYHL-UHFFFAOYSA-N -1 0 315.319 3.518 20 0 DHADRM O=C([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000370018899 336875982 /nfs/dbraw/zinc/87/59/82/336875982.db2.gz KFXKUUBTGBUQFV-CZMCAQCFSA-N -1 0 311.225 3.630 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000389728529 336887110 /nfs/dbraw/zinc/88/71/10/336887110.db2.gz IHAXUZWNILMDMQ-QLFBSQMISA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000390621218 336944900 /nfs/dbraw/zinc/94/49/00/336944900.db2.gz ZMMIBCGBTJLKQI-INIZCTEOSA-N -1 0 317.429 3.722 20 0 DHADRM C[C@@H]1[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000375170448 337004998 /nfs/dbraw/zinc/00/49/98/337004998.db2.gz GHAOROPMVTZRSJ-OWRWGESLSA-N -1 0 317.335 3.592 20 0 DHADRM CC(C)(CC(=O)N1CCCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000377570399 337055353 /nfs/dbraw/zinc/05/53/53/337055353.db2.gz GKZNDZJVFRKNGY-INIZCTEOSA-N -1 0 317.429 3.501 20 0 DHADRM COc1cccc(C)c1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000193740245 337079380 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CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000179979559 337173000 /nfs/dbraw/zinc/17/30/00/337173000.db2.gz PEZOJPIRJMTBNE-ZIAGYGMSSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1cc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1 ZINC000183453625 337191753 /nfs/dbraw/zinc/19/17/53/337191753.db2.gz KBJSMPWAAOOVQF-UHFFFAOYSA-N -1 0 309.287 3.987 20 0 DHADRM C[C@@H](c1cccs1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183424299 337191756 /nfs/dbraw/zinc/19/17/56/337191756.db2.gz MWRYCFRNJJJFAU-ZETCQYMHSA-N -1 0 315.316 3.704 20 0 DHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000023545725 337196202 /nfs/dbraw/zinc/19/62/02/337196202.db2.gz CCPQEQXGINRKHM-QMMMGPOBSA-N -1 0 311.715 3.815 20 0 DHADRM CC1=C(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)CCC1 ZINC000582922699 337217983 /nfs/dbraw/zinc/21/79/83/337217983.db2.gz KOMBYTXHHPILBF-UHFFFAOYSA-N -1 0 321.423 3.778 20 0 DHADRM CCCc1nsc(N=C([O-])Nc2csc3ccccc23)n1 ZINC000583053016 337230283 /nfs/dbraw/zinc/23/02/83/337230283.db2.gz OOFBUSPNZPQAGH-UHFFFAOYSA-N -1 0 318.427 3.771 20 0 DHADRM COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])oc2C)c1 ZINC000583089589 337239154 /nfs/dbraw/zinc/23/91/54/337239154.db2.gz JFZMEMUBKUOSDC-MRXNPFEDSA-N -1 0 315.369 3.632 20 0 DHADRM Cc1cc(C)cc(N(CCC(=O)[O-])C(=O)N(C)CC(C)(C)C)c1 ZINC000583096166 337240462 /nfs/dbraw/zinc/24/04/62/337240462.db2.gz XPJLJQAVTNSECG-UHFFFAOYSA-N -1 0 320.433 3.682 20 0 DHADRM C[C@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000583154284 337247163 /nfs/dbraw/zinc/24/71/63/337247163.db2.gz XRTGDIRKRQGGLP-JTQLQIEISA-N -1 0 301.308 3.816 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000321336176 337258022 /nfs/dbraw/zinc/25/80/22/337258022.db2.gz CYMFGFJTLNHQRT-BHYGNILZSA-N -1 0 319.445 3.679 20 0 DHADRM Cc1ccc(F)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000321516546 337272914 /nfs/dbraw/zinc/27/29/14/337272914.db2.gz PJWSDESDPPBEJZ-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(C2CCC2)cc1 ZINC000191157664 337292610 /nfs/dbraw/zinc/29/26/10/337292610.db2.gz GYZQDRDEFWFWIF-UHFFFAOYSA-N -1 0 308.341 3.585 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 ZINC000583263894 337293061 /nfs/dbraw/zinc/29/30/61/337293061.db2.gz XVPWWALBQNCTHH-IRXDYDNUSA-N -1 0 315.413 3.859 20 0 DHADRM CCCOc1ccccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583265728 337294634 /nfs/dbraw/zinc/29/46/34/337294634.db2.gz QUOJJADTIOCJMQ-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000583273090 337299214 /nfs/dbraw/zinc/29/92/14/337299214.db2.gz FHBJCIMESCBUKF-AWEZNQCLSA-N -1 0 323.392 3.744 20 0 DHADRM C[C@@H]1CCc2c(C(=O)Nc3cccc(C(=O)[O-])c3)csc2C1 ZINC000013094688 337300115 /nfs/dbraw/zinc/30/01/15/337300115.db2.gz DGIDNQVURNHXFM-SNVBAGLBSA-N -1 0 315.394 3.823 20 0 DHADRM [O-]c1ccc(-c2nc(CC3CC(F)(F)C3)no2)cc1Cl ZINC000583304536 337310215 /nfs/dbraw/zinc/31/02/15/337310215.db2.gz FTFWMFDJNBQYBV-UHFFFAOYSA-N -1 0 300.692 3.683 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000013254980 337310537 /nfs/dbraw/zinc/31/05/37/337310537.db2.gz CLYXNHHDQLMNEX-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000583327516 337316489 /nfs/dbraw/zinc/31/64/89/337316489.db2.gz RCKXFTCCLALEGP-UFBFGSQYSA-N -1 0 320.241 3.556 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035410677 337343492 /nfs/dbraw/zinc/34/34/92/337343492.db2.gz PSQHNCAYFMBJIZ-LLVKDONJSA-N -1 0 319.188 3.758 20 0 DHADRM CCc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1CC ZINC000584567944 337364599 /nfs/dbraw/zinc/36/45/99/337364599.db2.gz VNFSWSZJJWLZJQ-UHFFFAOYSA-N -1 0 318.417 3.673 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC000425236498 337442060 /nfs/dbraw/zinc/44/20/60/337442060.db2.gz FRXJJQXNUCPKNA-YPMHNXCESA-N -1 0 307.365 3.516 20 0 DHADRM CCCCC1CCC(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000322090272 337462384 /nfs/dbraw/zinc/46/23/84/337462384.db2.gz JQGATXIVOYOVTH-UHFFFAOYSA-N -1 0 321.417 3.899 20 0 DHADRM CCC[C@](C)(NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC000236808953 337465699 /nfs/dbraw/zinc/46/56/99/337465699.db2.gz GVOWCFXQVVNRNI-ACJLOTCBSA-N -1 0 305.418 3.502 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236964598 337466637 /nfs/dbraw/zinc/46/66/37/337466637.db2.gz IVNQTRHNSMLJEW-DXEWXGHRSA-N -1 0 317.429 3.529 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000237599419 337469006 /nfs/dbraw/zinc/46/90/06/337469006.db2.gz XTPBGMVSNJKSDK-WBVHZDCISA-N -1 0 317.429 3.706 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)n1C1CC1 ZINC000237780904 337469430 /nfs/dbraw/zinc/46/94/30/337469430.db2.gz QJHIEKCRGCMVGS-UHFFFAOYSA-N -1 0 316.332 3.529 20 0 DHADRM c1ccc2c(c1)COC[C@@H]2N=c1nc(C2CCCCC2)[n-]s1 ZINC000420655634 337509952 /nfs/dbraw/zinc/50/99/52/337509952.db2.gz SCLMIBSAHVOYHO-HNNXBMFYSA-N -1 0 315.442 3.691 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)C ZINC000069874729 337546116 /nfs/dbraw/zinc/54/61/16/337546116.db2.gz CQASASQGWMNGHJ-KRWDZBQOSA-N -1 0 305.418 3.699 20 0 DHADRM CCCC[C@H](CC)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000572319093 337606796 /nfs/dbraw/zinc/60/67/96/337606796.db2.gz GKAZKTVHPJEUCF-HNAYVOBHSA-N -1 0 319.445 3.752 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1C(=O)[O-] ZINC000261658541 337607545 /nfs/dbraw/zinc/60/75/45/337607545.db2.gz NOXXYDJZQMHFOA-GFCCVEGCSA-N -1 0 319.382 3.579 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000321110736 337609749 /nfs/dbraw/zinc/60/97/49/337609749.db2.gz OHDCDHZIAKMYPB-LBPRGKRZSA-N -1 0 309.365 3.697 20 0 DHADRM Cc1cc(NC(=O)c2csc(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC000261877447 337612041 /nfs/dbraw/zinc/61/20/41/337612041.db2.gz QEJCKUAYPCANRN-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000261956466 337613147 /nfs/dbraw/zinc/61/31/47/337613147.db2.gz ADPUKYGPNPIIGO-JTQLQIEISA-N -1 0 319.382 3.876 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000262078363 337614940 /nfs/dbraw/zinc/61/49/40/337614940.db2.gz JTUJDISAPZHCJU-HNNXBMFYSA-N -1 0 317.429 3.646 20 0 DHADRM CCC[C@@H](C)CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262143859 337615426 /nfs/dbraw/zinc/61/54/26/337615426.db2.gz KLQDDXBJUDADEH-OAHLLOKOSA-N -1 0 305.418 3.706 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)N(CC1CCC1)c1ccccc1 ZINC000262232026 337615985 /nfs/dbraw/zinc/61/59/85/337615985.db2.gz WWEBUZONDAODBQ-UHFFFAOYSA-N -1 0 323.392 3.761 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262529726 337619037 /nfs/dbraw/zinc/61/90/37/337619037.db2.gz HTUPGXSIJCYFMO-QWRGUYRKSA-N -1 0 312.435 3.543 20 0 DHADRM CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000309819436 337619185 /nfs/dbraw/zinc/61/91/85/337619185.db2.gz DDVJZKHLSPSGMY-UHFFFAOYSA-N -1 0 318.760 3.702 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000262668965 337620378 /nfs/dbraw/zinc/62/03/78/337620378.db2.gz OMKSWVDFGPICQW-QGZVFWFLSA-N -1 0 324.380 3.510 20 0 DHADRM C[C@@]1(NC(=O)c2cc3ccccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000262734474 337620928 /nfs/dbraw/zinc/62/09/28/337620928.db2.gz IIENQDNTTNHVGO-SJKOYZFVSA-N -1 0 317.410 3.665 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000262742963 337620953 /nfs/dbraw/zinc/62/09/53/337620953.db2.gz HALGMEINLZNRAM-HWKANZROSA-N -1 0 315.413 3.727 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CC23CCCC3)cc1 ZINC000262790808 337621238 /nfs/dbraw/zinc/62/12/38/337621238.db2.gz OEBVYKPOONFEPH-CQSZACIVSA-N -1 0 301.386 3.568 20 0 DHADRM C[C@H](CCNC(=O)CCc1ccccc1C(=O)[O-])CC(C)(C)C ZINC000262805782 337621489 /nfs/dbraw/zinc/62/14/89/337621489.db2.gz AQVYNQLPBDLWIX-CQSZACIVSA-N -1 0 319.445 3.896 20 0 DHADRM CCC1(CNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000262869742 337622089 /nfs/dbraw/zinc/62/20/89/337622089.db2.gz FZIXBBPCMCIYFM-UHFFFAOYSA-N -1 0 323.392 3.972 20 0 DHADRM CC1=C(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)CCC1 ZINC000262881038 337622141 /nfs/dbraw/zinc/62/21/41/337622141.db2.gz BSEXRTSEKXHIQF-GOSISDBHSA-N -1 0 323.392 3.972 20 0 DHADRM C[C@@]1(NC(=O)c2csc3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262887865 337622146 /nfs/dbraw/zinc/62/21/46/337622146.db2.gz YRKKCCIPWBTFNF-SUMWQHHRSA-N -1 0 317.410 3.665 20 0 DHADRM CC[C@@](CNC(=O)CCC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000262960851 337622695 /nfs/dbraw/zinc/62/26/95/337622695.db2.gz IZWMHODGVBFLEB-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CC1(C)C[C@H]1CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263039562 337623521 /nfs/dbraw/zinc/62/35/21/337623521.db2.gz VQEWOCVIYMURPG-ZDUSSCGKSA-N -1 0 323.392 3.828 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000263079829 337624044 /nfs/dbraw/zinc/62/40/44/337624044.db2.gz ZAONIDRHSTYGTD-YOEHRIQHSA-N -1 0 317.429 3.769 20 0 DHADRM C[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1cccs1 ZINC000263200068 337625317 /nfs/dbraw/zinc/62/53/17/337625317.db2.gz JUIJBYDPFATYTD-MNOVXSKESA-N -1 0 303.383 3.678 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000263293567 337626219 /nfs/dbraw/zinc/62/62/19/337626219.db2.gz MOTGWRANEJZLSA-GVDBMIGSSA-N -1 0 315.413 3.535 20 0 DHADRM CCCC(O)(CCC)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263333296 337626387 /nfs/dbraw/zinc/62/63/87/337626387.db2.gz QHOAHYYACGXPGK-ZDUSSCGKSA-N -1 0 321.417 3.535 20 0 DHADRM Cc1scc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C ZINC000263346006 337626675 /nfs/dbraw/zinc/62/66/75/337626675.db2.gz TZVMBAWBIHYACM-JTQLQIEISA-N -1 0 303.383 3.805 20 0 DHADRM COc1cc(C)sc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263351483 337626751 /nfs/dbraw/zinc/62/67/51/337626751.db2.gz VRIODLADKAOSMI-JTQLQIEISA-N -1 0 319.382 3.506 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000263350509 337626752 /nfs/dbraw/zinc/62/67/52/337626752.db2.gz VKYGTRBGCDNVMS-UONOGXRCSA-N -1 0 324.380 3.870 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1Cl ZINC000263414676 337628302 /nfs/dbraw/zinc/62/83/02/337628302.db2.gz JRKRPCSIPLNKNT-LBPRGKRZSA-N -1 0 311.809 3.658 20 0 DHADRM CCC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000263514183 337631065 /nfs/dbraw/zinc/63/10/65/337631065.db2.gz DFXKMTFCTMLCMN-GOSISDBHSA-N -1 0 317.429 3.506 20 0 DHADRM C[C@@H](CCC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000263519413 337631100 /nfs/dbraw/zinc/63/11/00/337631100.db2.gz GKZGJMKUFYXHJX-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccnn2C2CCCC2)c1 ZINC000263521012 337631130 /nfs/dbraw/zinc/63/11/30/337631130.db2.gz QYESHNKQKIBYTI-UHFFFAOYSA-N -1 0 313.401 3.628 20 0 DHADRM CCC[C@@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)C(C)C ZINC000263544879 337631523 /nfs/dbraw/zinc/63/15/23/337631523.db2.gz STCDPZAZDHSTHI-OAHLLOKOSA-N -1 0 307.390 3.542 20 0 DHADRM CC1(C)CCC[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263541103 337631557 /nfs/dbraw/zinc/63/15/57/337631557.db2.gz QVIUKPGSVNMFMC-AWEZNQCLSA-N -1 0 303.402 3.859 20 0 DHADRM Cc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000572423860 337638224 /nfs/dbraw/zinc/63/82/24/337638224.db2.gz PEIHALLVRZTYBY-AWEZNQCLSA-N -1 0 312.365 3.776 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2sccc2C2CC2)cc1F ZINC000422566878 337682942 /nfs/dbraw/zinc/68/29/42/337682942.db2.gz URYCNVKMCMZJEA-UHFFFAOYSA-N -1 0 319.357 3.644 20 0 DHADRM O=C([O-])c1cc(/C=C/c2csc(-c3cccs3)n2)ncn1 ZINC000533124075 337829605 /nfs/dbraw/zinc/82/96/05/337829605.db2.gz OCJYTKDNTVBYBT-ONEGZZNKSA-N -1 0 315.379 3.530 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1F ZINC000120231636 337871761 /nfs/dbraw/zinc/87/17/61/337871761.db2.gz UAFGAMHWDJMQBL-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000121331816 337891930 /nfs/dbraw/zinc/89/19/30/337891930.db2.gz FAISBDIPTLGAJJ-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000537407136 337933648 /nfs/dbraw/zinc/93/36/48/337933648.db2.gz NCEABEWMPYGXDN-UHFFFAOYSA-N -1 0 323.270 3.866 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000537482991 337937569 /nfs/dbraw/zinc/93/75/69/337937569.db2.gz WRHXHRVTRBXIRO-OAHLLOKOSA-N -1 0 317.429 3.592 20 0 DHADRM CC[C@H](C)n1ncc(N=c2nc(C(C)C)[n-]s2)c1C1CC1 ZINC000537826863 337962798 /nfs/dbraw/zinc/96/27/98/337962798.db2.gz WYKDUJVAYUORNO-JTQLQIEISA-N -1 0 305.451 3.872 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1cccc2ccccc21 ZINC000516001660 338002289 /nfs/dbraw/zinc/00/22/89/338002289.db2.gz GNNQXYQFCNSSPZ-KKSFZXQISA-N -1 0 304.411 3.588 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@]12C[C@H]1CCC2)c1ccc2ccccc2c1 ZINC000516044528 338002939 /nfs/dbraw/zinc/00/29/39/338002939.db2.gz CHXGINZTDRSNES-FUHIMQAGSA-N -1 0 323.392 3.662 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516086517 338004340 /nfs/dbraw/zinc/00/43/40/338004340.db2.gz YVGPJJQIQQOXSR-ZJUUUORDSA-N -1 0 301.308 3.672 20 0 DHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005652247 338011805 /nfs/dbraw/zinc/01/18/05/338011805.db2.gz KBATZHZMSHQISW-UHFFFAOYSA-N -1 0 319.426 3.975 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1 ZINC000426212263 338022922 /nfs/dbraw/zinc/02/29/22/338022922.db2.gz XXINCEXWQUZEHO-UHFFFAOYSA-N -1 0 322.430 3.896 20 0 DHADRM CC(C)(CCC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426644809 338036745 /nfs/dbraw/zinc/03/67/45/338036745.db2.gz XVCBMWIMECTBNI-UHFFFAOYSA-N -1 0 304.217 3.974 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2cc3ccccc3o2)C(=O)[O-])c1 ZINC000426749576 338040651 /nfs/dbraw/zinc/04/06/51/338040651.db2.gz GWWMZRPASNXSRC-SFHVURJKSA-N -1 0 309.365 3.965 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2ccsc2Cl)C(=O)[O-])c1 ZINC000426755912 338040899 /nfs/dbraw/zinc/04/08/99/338040899.db2.gz GSHPMWXKKRMFLF-ZDUSSCGKSA-N -1 0 309.818 3.934 20 0 DHADRM Cc1cc(C)cc([C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000426762278 338041253 /nfs/dbraw/zinc/04/12/53/338041253.db2.gz IWIWJCRRVOVMLU-MRXNPFEDSA-N -1 0 323.314 3.636 20 0 DHADRM CCc1c(NC(=O)[C@H](C)OCCC(C)C)onc1C(F)(F)F ZINC000431391648 338129719 /nfs/dbraw/zinc/12/97/19/338129719.db2.gz NUBWWSGREFIVLS-VIFPVBQESA-N -1 0 322.327 3.646 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431440034 338130865 /nfs/dbraw/zinc/13/08/65/338130865.db2.gz FYUHTRYSXBFKAY-YMTOWFKASA-N -1 0 321.398 3.546 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000431450556 338131033 /nfs/dbraw/zinc/13/10/33/338131033.db2.gz UVEVHXUFWBVIPJ-AATRIKPKSA-N -1 0 303.402 3.537 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2cncc3ccccc32)cc1 ZINC000431517086 338132998 /nfs/dbraw/zinc/13/29/98/338132998.db2.gz DHPWQAPENPPVCZ-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000431650348 338135415 /nfs/dbraw/zinc/13/54/15/338135415.db2.gz TWYOHKCFAJERBB-WKILWMFISA-N -1 0 317.429 3.806 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000431662313 338135753 /nfs/dbraw/zinc/13/57/53/338135753.db2.gz DITHWZUAZYQTBG-HDJSIYSDSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431870759 338140604 /nfs/dbraw/zinc/14/06/04/338140604.db2.gz ODAOFGKDQRRWGU-KRWDZBQOSA-N -1 0 313.397 3.908 20 0 DHADRM CC1(C)CCC(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000431993363 338143253 /nfs/dbraw/zinc/14/32/53/338143253.db2.gz HXJDJSJFQLXDNO-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1cccc2cc(C(=O)NC3(C(=O)[O-])CCCCCC3)oc21 ZINC000432002345 338143399 /nfs/dbraw/zinc/14/33/99/338143399.db2.gz KLRLPNZUCWSGGS-UHFFFAOYSA-N -1 0 315.369 3.649 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000432003674 338143401 /nfs/dbraw/zinc/14/34/01/338143401.db2.gz SOJJVAJRLMPMCY-STQMWFEESA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432102640 338145706 /nfs/dbraw/zinc/14/57/06/338145706.db2.gz LKJAEMOLVXXLMC-NVXWUHKLSA-N -1 0 319.445 3.651 20 0 DHADRM CCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1F ZINC000432109581 338145939 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O=C(c1cc2c(cc1O)CCCC2)N1CCCC[C@@H]1C(F)F ZINC000436494089 338274242 /nfs/dbraw/zinc/27/42/42/338274242.db2.gz MOLXNBYGNFFEMR-CQSZACIVSA-N -1 0 309.356 3.531 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000436524113 338275114 /nfs/dbraw/zinc/27/51/14/338275114.db2.gz YILGNYQLASVEMH-INIZCTEOSA-N -1 0 317.335 3.860 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000436572535 338277764 /nfs/dbraw/zinc/27/77/64/338277764.db2.gz ZLFHNEXLAXWPIN-CQSZACIVSA-N -1 0 323.726 3.911 20 0 DHADRM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436576543 338277993 /nfs/dbraw/zinc/27/79/93/338277993.db2.gz LYTUFFSRBXVYND-CABZTGNLSA-N -1 0 319.298 3.630 20 0 DHADRM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1[O-] ZINC000436587534 338278589 /nfs/dbraw/zinc/27/85/89/338278589.db2.gz WYPWOLQARCOISR-UHFFFAOYSA-N -1 0 312.300 3.802 20 0 DHADRM CC1(C)[C@@H]2CN(C(=O)c3cc(Cl)c4ccccc4c3[O-])C[C@@H]21 ZINC000436592650 338278874 /nfs/dbraw/zinc/27/88/74/338278874.db2.gz 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CC(C)[C@@H](C(=O)[N-]OCc1cccnc1)c1cccc(Cl)c1 ZINC000155813269 519789446 /nfs/dbraw/zinc/78/94/46/519789446.db2.gz PWQPYANRVIXXIF-MRXNPFEDSA-N -1 0 318.804 3.723 20 0 DHADRM CC(C)c1cnc(SCc2nc(=O)c3sccc3[n-]2)n1C ZINC000267057205 519852968 /nfs/dbraw/zinc/85/29/68/519852968.db2.gz PUYKLZQAPYWXHI-UHFFFAOYSA-N -1 0 320.443 3.546 20 0 DHADRM CCCN(CCC)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236981538 521641821 /nfs/dbraw/zinc/64/18/21/521641821.db2.gz WVFVCFFYYVZOSQ-LBPRGKRZSA-N -1 0 309.431 3.514 20 0 DHADRM CCC(CC)n1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC000190876533 521647892 /nfs/dbraw/zinc/64/78/92/521647892.db2.gz LZSZDMIHPPOWRR-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184476076 521732094 /nfs/dbraw/zinc/73/20/94/521732094.db2.gz GYICGZZDSJGKPY-NEPJUHHUSA-N -1 0 317.813 3.589 20 0 DHADRM CC[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000262859679 523162784 /nfs/dbraw/zinc/16/27/84/523162784.db2.gz DZSWDVSTQVVBTD-AWEZNQCLSA-N -1 0 323.392 3.924 20 0 DHADRM CCn1nccc1/C=C1/CCc2c1nc1ccccc1c2C(=O)[O-] ZINC000338091874 523706521 /nfs/dbraw/zinc/70/65/21/523706521.db2.gz IUBXIRJKHXKGPT-QXMHVHEDSA-N -1 0 319.364 3.636 20 0 DHADRM CO[C@H](C)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000339168677 523900432 /nfs/dbraw/zinc/90/04/32/523900432.db2.gz CTOCMQZNNOSTAE-CYBMUJFWSA-N -1 0 319.401 3.758 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)NCCCCCC(=O)[O-])cc1 ZINC000236989643 524021090 /nfs/dbraw/zinc/02/10/90/524021090.db2.gz BIRQVMGLDLLDMH-AWEZNQCLSA-N -1 0 305.418 3.504 20 0 DHADRM C[C@H]1CCCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000262847149 524116263 /nfs/dbraw/zinc/11/62/63/524116263.db2.gz CSWZZEMNGBNANO-ZDUSSCGKSA-N -1 0 309.365 3.676 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCc1csc2ccccc12 ZINC000237384493 524120312 /nfs/dbraw/zinc/12/03/12/524120312.db2.gz YWSSWYZWWQTMQE-GFCCVEGCSA-N -1 0 319.426 3.594 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCc1ccc2ccccc2c1 ZINC000191153750 524120375 /nfs/dbraw/zinc/12/03/75/524120375.db2.gz 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525975847 /nfs/dbraw/zinc/97/58/47/525975847.db2.gz UFSMZCCCRMWUKT-UHFFFAOYSA-N -1 0 321.336 3.535 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CCCC2)cc1 ZINC000237344463 526063095 /nfs/dbraw/zinc/06/30/95/526063095.db2.gz TWLXNOVUSIDGFY-OAHLLOKOSA-N -1 0 321.442 3.621 20 0 DHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000237844653 526071099 /nfs/dbraw/zinc/07/10/99/526071099.db2.gz PHZKEIUTJOKGPD-UHFFFAOYSA-N -1 0 311.381 3.502 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000180010416 526324174 /nfs/dbraw/zinc/32/41/74/526324174.db2.gz TYZHYOUHHRNXQB-ILXRZTDVSA-N -1 0 319.401 3.614 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)c2ccccc2)s1 ZINC000237965514 526361296 /nfs/dbraw/zinc/36/12/96/526361296.db2.gz CQDSECGCZFOKNH-UHFFFAOYSA-N -1 0 301.367 3.503 20 0 DHADRM Cc1cscc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236639308 526463816 /nfs/dbraw/zinc/46/38/16/526463816.db2.gz MMHSXVWPKAJUOV-UHFFFAOYSA-N -1 0 319.382 3.794 20 0 DHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CCOCC1 ZINC000156562763 527093147 /nfs/dbraw/zinc/09/31/47/527093147.db2.gz KCDNAXHGDAPJCV-UHFFFAOYSA-N -1 0 324.591 3.718 20 0 DHADRM O=C([O-])CCCCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237923735 527583051 /nfs/dbraw/zinc/58/30/51/527583051.db2.gz PTABQRGKCAGUAQ-UHFFFAOYSA-N -1 0 321.760 3.585 20 0 DHADRM CCCCn1ncc(C(=O)Nc2cccc(Cl)c2[O-])c1C ZINC000340318240 535166469 /nfs/dbraw/zinc/16/64/69/535166469.db2.gz WVFUYVFCBRUOEH-UHFFFAOYSA-N -1 0 307.781 3.603 20 0 DHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000340779025 537104123 /nfs/dbraw/zinc/10/41/23/537104123.db2.gz BMRVRIXDRNQEGS-UHFFFAOYSA-N -1 0 323.439 3.526 20 0 DHADRM CCCc1ccc([C@H](NC(=O)CCCNC(=O)[O-])C(C)C)cc1 ZINC000737045298 599712158 /nfs/dbraw/zinc/71/21/58/599712158.db2.gz RGMSLRWWAYXMSN-QGZVFWFLSA-N -1 0 320.433 3.500 20 0 DHADRM O=C([O-])CCCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000394257347 601564860 /nfs/dbraw/zinc/56/48/60/601564860.db2.gz JFWVHIAXZXDVAU-UHFFFAOYSA-N -1 0 309.265 3.571 20 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312.369 3.529 20 0 DHADRM CC(C)N(Cc1cccs1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736474357 599902829 /nfs/dbraw/zinc/90/28/29/599902829.db2.gz LKYDUANCNOLQFT-UHFFFAOYSA-N -1 0 318.398 3.889 20 0 DHADRM Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000237057555 599902894 /nfs/dbraw/zinc/90/28/94/599902894.db2.gz VOSBGONUGQKGMX-UHFFFAOYSA-N -1 0 317.772 3.619 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c(C)s1 ZINC000738351972 599903267 /nfs/dbraw/zinc/90/32/67/599903267.db2.gz PWFIOFFSLMMMGJ-SNVBAGLBSA-N -1 0 318.398 3.946 20 0 DHADRM C[C@H](OC(=O)c1cccc(F)c1F)c1ccc(C(=O)[O-])cc1 ZINC000738228141 599905477 /nfs/dbraw/zinc/90/54/77/599905477.db2.gz NIRHEDJWLMXUAH-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM CC1(C)CN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000736735360 599908549 /nfs/dbraw/zinc/90/85/49/599908549.db2.gz HRSPMCVXQKHUDW-INIZCTEOSA-N -1 0 324.380 4.000 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738669842 599909942 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CC(C)(C(=O)Oc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736231330 600246695 /nfs/dbraw/zinc/24/66/95/600246695.db2.gz AGTJUNOWDAADPJ-UHFFFAOYSA-N -1 0 318.756 3.921 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2sccc2C2CC2)c(F)cc1F ZINC000740088629 600249268 /nfs/dbraw/zinc/24/92/68/600249268.db2.gz MDZCVTYAZCNGJV-UHFFFAOYSA-N -1 0 323.320 3.854 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H]1CCCC[C@H]1C ZINC000738084843 600249921 /nfs/dbraw/zinc/24/99/21/600249921.db2.gz INIZOLZABVVIOU-VXGBXAGGSA-N -1 0 306.358 3.515 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000738085204 600250004 /nfs/dbraw/zinc/25/00/04/600250004.db2.gz LALBYWCGDKFRRT-GXTWGEPZSA-N -1 0 318.369 3.537 20 0 DHADRM Cc1cc(NC(=O)CCCCCc2cccs2)c(C(=O)[O-])[nH]1 ZINC000738424842 600254585 /nfs/dbraw/zinc/25/45/85/600254585.db2.gz NMDOILMFVARCIL-UHFFFAOYSA-N -1 0 320.414 3.824 20 0 DHADRM CCO[C@H](C)c1nc(COc2ccc(C(=O)[O-])cc2)cs1 ZINC000737156377 600260186 /nfs/dbraw/zinc/26/01/86/600260186.db2.gz 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DHADRM O=C([O-])[C@H](OC(=O)C=C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000739208628 600326922 /nfs/dbraw/zinc/32/69/22/600326922.db2.gz DSWJPEQKTHNAPP-MRXNPFEDSA-N -1 0 320.772 3.755 20 0 DHADRM CN(Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737481150 600329096 /nfs/dbraw/zinc/32/90/96/600329096.db2.gz XFVXPPPTNCLYMZ-UHFFFAOYSA-N -1 0 317.320 3.580 20 0 DHADRM Cc1cccc(C)c1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738694957 600335016 /nfs/dbraw/zinc/33/50/16/600335016.db2.gz CYYLYWAEPDXZID-UHFFFAOYSA-N -1 0 313.357 3.715 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000736937876 600336755 /nfs/dbraw/zinc/33/67/55/600336755.db2.gz FIDOCCGSEBJBSN-LBPRGKRZSA-N -1 0 305.378 3.821 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C1CCCC1 ZINC000736648706 600337420 /nfs/dbraw/zinc/33/74/20/600337420.db2.gz IRORBWAADLCLSS-LLVKDONJSA-N -1 0 305.378 3.501 20 0 DHADRM CCCCC[C@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736985377 600345021 /nfs/dbraw/zinc/34/50/21/600345021.db2.gz 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CCc1ccc([C@H](C)CC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000737256887 600372697 /nfs/dbraw/zinc/37/26/97/600372697.db2.gz LLOFHXRFHJPNRL-SNVBAGLBSA-N -1 0 318.398 3.536 20 0 DHADRM Cc1oc(COC(=O)CC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000738985015 600372837 /nfs/dbraw/zinc/37/28/37/600372837.db2.gz YJYGXMSGBZOFSA-UITAMQMPSA-N -1 0 314.337 3.823 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCC(C)(C)C)C(=O)[O-] ZINC000137707477 600377313 /nfs/dbraw/zinc/37/73/13/600377313.db2.gz OXJIMUIHLVUDPV-AWEZNQCLSA-N -1 0 305.418 3.562 20 0 DHADRM C[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccs1 ZINC000736216979 600379403 /nfs/dbraw/zinc/37/94/03/600379403.db2.gz SXOCFMUBRJQKPL-NSHDSACASA-N -1 0 318.398 3.600 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000736851413 600379409 /nfs/dbraw/zinc/37/94/09/600379409.db2.gz IYQLYHCCWVWUIE-NSHDSACASA-N -1 0 323.801 3.912 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000736850981 600380112 /nfs/dbraw/zinc/38/01/12/600380112.db2.gz 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600384971 /nfs/dbraw/zinc/38/49/71/600384971.db2.gz MKXFDRZZOODMJM-HIFRSBDPSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000314609308 600385951 /nfs/dbraw/zinc/38/59/51/600385951.db2.gz FFWUYIPARBEVII-HZMBPMFUSA-N -1 0 308.353 3.614 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1coc2ccccc12)c1ccccc1 ZINC000736850275 600388458 /nfs/dbraw/zinc/38/84/58/600388458.db2.gz GAXVVNCSLGKXLX-INIZCTEOSA-N -1 0 323.348 3.943 20 0 DHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000315365034 600389514 /nfs/dbraw/zinc/38/95/14/600389514.db2.gz QCYFACUGXLMUPJ-QMTHXVAHSA-N -1 0 308.353 3.566 20 0 DHADRM CC/C=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736948539 600392186 /nfs/dbraw/zinc/39/21/86/600392186.db2.gz MKGGRTHPYPGDQR-ROCHPLJESA-N -1 0 317.429 3.972 20 0 DHADRM CC(C)(C)CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736248184 600397100 /nfs/dbraw/zinc/39/71/00/600397100.db2.gz DWUIOARYYMNBDK-UHFFFAOYSA-N -1 0 310.369 3.862 20 0 DHADRM CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CCCCC1 ZINC000322590906 600403085 /nfs/dbraw/zinc/40/30/85/600403085.db2.gz JVWGHZNRVDTDRH-UHFFFAOYSA-N -1 0 318.417 3.890 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237482871 600405647 /nfs/dbraw/zinc/40/56/47/600405647.db2.gz LJBYVBVXQBADRN-ZDUSSCGKSA-N -1 0 303.402 3.560 20 0 DHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000737932108 600410534 /nfs/dbraw/zinc/41/05/34/600410534.db2.gz RMOFMCCTIZUELE-NSHDSACASA-N -1 0 305.374 3.548 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736777745 600411480 /nfs/dbraw/zinc/41/14/80/600411480.db2.gz CSUBLMXUIMLWBG-STQMWFEESA-N -1 0 304.390 3.723 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738550005 600414044 /nfs/dbraw/zinc/41/40/44/600414044.db2.gz AHYOBXAYGVRKLR-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737204450 600416540 /nfs/dbraw/zinc/41/65/40/600416540.db2.gz 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ZINC000740109655 601033321 /nfs/dbraw/zinc/03/33/21/601033321.db2.gz BDSXFYRDHWSSRA-ZDUSSCGKSA-N -1 0 315.394 3.718 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000828239628 601043244 /nfs/dbraw/zinc/04/32/44/601043244.db2.gz PEAOKGTZGWYOPW-QWRGUYRKSA-N -1 0 308.353 3.566 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000829245905 601045072 /nfs/dbraw/zinc/04/50/72/601045072.db2.gz RVXIBVAEGYKWMH-IAQYHMDHSA-N -1 0 322.380 3.956 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000323838085 601047143 /nfs/dbraw/zinc/04/71/43/601047143.db2.gz VLWFUBBOZKNMHQ-UHFFFAOYSA-N -1 0 316.401 3.502 20 0 DHADRM C/C=C/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828543165 601064374 /nfs/dbraw/zinc/06/43/74/601064374.db2.gz RDXOZADMOOKLDK-XRCCYUMASA-N -1 0 315.152 3.795 20 0 DHADRM Cc1ccc(NC(=O)c2cc3ccccc3nc2C)cc1C(=O)[O-] ZINC000191035979 601067032 /nfs/dbraw/zinc/06/70/32/601067032.db2.gz FCAVHGWOWRIUHH-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM CC/C(=C/C(=O)NC(C)(C)CC(=O)[O-])c1cccc(Cl)c1 ZINC000828549630 601076542 /nfs/dbraw/zinc/07/65/42/601076542.db2.gz NKJKEEFXQLBNKT-LUAWRHEFSA-N -1 0 309.793 3.503 20 0 DHADRM CCC[C@H](C)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000829207606 601080252 /nfs/dbraw/zinc/08/02/52/601080252.db2.gz BUQAVZNVALOOJI-IMJJTQAJSA-N -1 0 309.450 3.695 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316738774 601088362 /nfs/dbraw/zinc/08/83/62/601088362.db2.gz OSRCCDMDLTUDIN-LBPRGKRZSA-N -1 0 306.406 3.701 20 0 DHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736483427 601093586 /nfs/dbraw/zinc/09/35/86/601093586.db2.gz IKOPRAMWHZIPNK-UHFFFAOYSA-N -1 0 322.361 3.658 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC2(C)CCCC2)cc1 ZINC000321147390 601094330 /nfs/dbraw/zinc/09/43/30/601094330.db2.gz GHCIKFPJOGQLGW-UHFFFAOYSA-N -1 0 318.417 3.751 20 0 DHADRM C/C(=C\CSc1nccn1-c1cc(C)ccc1C)C(=O)[O-] ZINC000736120838 601097840 /nfs/dbraw/zinc/09/78/40/601097840.db2.gz FCFHYAPBNFIPAT-AWNIVKPZSA-N -1 0 302.399 3.612 20 0 DHADRM C/C(=C\CSc1nccn1-c1ccc(C)c(C)c1)C(=O)[O-] ZINC000736122479 601098129 /nfs/dbraw/zinc/09/81/29/601098129.db2.gz VQSJGXNNAWZMRN-WUXMJOGZSA-N -1 0 302.399 3.612 20 0 DHADRM CCCc1c(C(=O)Nc2cccc(F)c2C)[nH]c(C)c1C(=O)[O-] ZINC000829562428 601112436 /nfs/dbraw/zinc/11/24/36/601112436.db2.gz DTOFFEHKUIBQPA-UHFFFAOYSA-N -1 0 318.348 3.674 20 0 DHADRM CN(Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830811213 601119646 /nfs/dbraw/zinc/11/96/46/601119646.db2.gz TVKVIRWGVSPSJQ-QGZVFWFLSA-N -1 0 313.328 3.830 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000391077888 601131836 /nfs/dbraw/zinc/13/18/36/601131836.db2.gz RZRJHACUUNUBNI-CQSZACIVSA-N -1 0 318.417 3.749 20 0 DHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C(C)(C)C1 ZINC000380403379 601133355 /nfs/dbraw/zinc/13/33/55/601133355.db2.gz RRBNQKSKMARSCQ-SECBINFHSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000832944784 601136931 /nfs/dbraw/zinc/13/69/31/601136931.db2.gz LCVQUVNZOHWZAZ-VMPITWQZSA-N -1 0 310.353 3.528 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(F)cc1F ZINC000832865249 601137469 /nfs/dbraw/zinc/13/74/69/601137469.db2.gz WXMFRMBNHJQFBK-UHFFFAOYSA-N -1 0 324.258 3.755 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000316041912 601143126 /nfs/dbraw/zinc/14/31/26/601143126.db2.gz VPZJEDXRMMNOAS-CYBMUJFWSA-N -1 0 304.390 3.737 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000111471652 601145222 /nfs/dbraw/zinc/14/52/22/601145222.db2.gz BQWKFMWJCHZQEA-IUCAKERBSA-N -1 0 316.184 3.823 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000833308512 601147505 /nfs/dbraw/zinc/14/75/05/601147505.db2.gz RBPUSPQXTCYZCR-HALDLXJZSA-N -1 0 310.349 3.880 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 ZINC000776630374 601162700 /nfs/dbraw/zinc/16/27/00/601162700.db2.gz UKFSJXJMIFHEAQ-BDANVTMASA-N -1 0 315.413 3.701 20 0 DHADRM C/C(=C\CN1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736047 601166480 /nfs/dbraw/zinc/16/64/80/601166480.db2.gz USFULRJDOJTENX-JQVXPOPVSA-N -1 0 323.820 3.523 20 0 DHADRM C/C(=C\CN1C[C@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736045 601166763 /nfs/dbraw/zinc/16/67/63/601166763.db2.gz USFULRJDOJTENX-INDWDQIESA-N -1 0 323.820 3.523 20 0 DHADRM CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000767067260 601167400 /nfs/dbraw/zinc/16/74/00/601167400.db2.gz JJMMRLNKCUOBSU-ABAIWWIYSA-N -1 0 317.410 3.502 20 0 DHADRM O=C([O-])c1sc2ccccc2c1COC(=O)[C@@H]1CCCS1 ZINC000833347508 601175340 /nfs/dbraw/zinc/17/53/40/601175340.db2.gz INJSIOREPOLIBI-LBPRGKRZSA-N -1 0 322.407 3.538 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H]1c1cccc(F)c1 ZINC000833171540 601183452 /nfs/dbraw/zinc/18/34/52/601183452.db2.gz CAVZLZAUFJAGFO-CVEARBPZSA-N -1 0 303.308 3.538 20 0 DHADRM C[C@H](NC(=O)c1ccccc1NC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000827709905 601184698 /nfs/dbraw/zinc/18/46/98/601184698.db2.gz IFODWGPAKHUZTF-OLZOCXBDSA-N -1 0 312.369 3.699 20 0 DHADRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832930345 601190174 /nfs/dbraw/zinc/19/01/74/601190174.db2.gz IVSSJVFWLZHVLX-OAHLLOKOSA-N -1 0 322.744 3.543 20 0 DHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000830157244 601190882 /nfs/dbraw/zinc/19/08/82/601190882.db2.gz GOSFCZSDNXUXGS-ZIAGYGMSSA-N -1 0 322.430 3.571 20 0 DHADRM CSc1ccc(OCCOc2ccccc2NC(=O)[O-])cc1 ZINC000832785013 601228753 /nfs/dbraw/zinc/22/87/53/601228753.db2.gz FDGQUJCIPUVMNN-UHFFFAOYSA-N -1 0 319.382 3.956 20 0 DHADRM C/C=C\c1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000828543921 601236109 /nfs/dbraw/zinc/23/61/09/601236109.db2.gz YPDGZBFBEKKFSM-XEKFUKFUSA-N -1 0 318.369 3.525 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832947559 601247236 /nfs/dbraw/zinc/24/72/36/601247236.db2.gz RMZNAOQZTQTGMH-XJKSGUPXSA-N -1 0 312.369 3.579 20 0 DHADRM O=C([O-])Nc1cccc(NCCOc2ccccc2Cl)c1 ZINC000833288865 601247847 /nfs/dbraw/zinc/24/78/47/601247847.db2.gz INLJITGCXWHRRR-UHFFFAOYSA-N -1 0 306.749 3.921 20 0 DHADRM O=C([O-])c1sc(N(Cc2ccccc2)C2CC2)nc1Cl ZINC000383740215 601248369 /nfs/dbraw/zinc/24/83/69/601248369.db2.gz HHBJWXQNMFXLMX-UHFFFAOYSA-N -1 0 308.790 3.664 20 0 DHADRM COc1ccc(NCc2cccc3cccnc32)c(C(=O)[O-])c1 ZINC000832413135 601248677 /nfs/dbraw/zinc/24/86/77/601248677.db2.gz DYFUARKQWDRWSC-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM C[C@H](c1ccccc1F)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000149679551 601248910 /nfs/dbraw/zinc/24/89/10/601248910.db2.gz SJEHGXWGNBWLNW-SSDOTTSWSA-N -1 0 314.769 3.831 20 0 DHADRM COc1cc(C(=O)[O-])cc(NCc2cccc(Cl)c2)c1OC ZINC000561284203 601250870 /nfs/dbraw/zinc/25/08/70/601250870.db2.gz DMAIPJASCTZKIQ-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM O=C([O-])Nc1cccc(OCc2cn3cc(Cl)ccc3n2)c1 ZINC000833289234 601262524 /nfs/dbraw/zinc/26/25/24/601262524.db2.gz JFUDKEZFWOEDLG-UHFFFAOYSA-N -1 0 317.732 3.657 20 0 DHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828148548 601266666 /nfs/dbraw/zinc/26/66/66/601266666.db2.gz AEGVDGVFXYCMKK-DZGCQCFKSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828148556 601266769 /nfs/dbraw/zinc/26/67/69/601266769.db2.gz AEGVDGVFXYCMKK-ZFWWWQNUSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000237679473 601295770 /nfs/dbraw/zinc/29/57/70/601295770.db2.gz NWNPCDMTFKMEPB-SJKOYZFVSA-N -1 0 323.348 3.625 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000237529307 601295997 /nfs/dbraw/zinc/29/59/97/601295997.db2.gz JJOPALHECZXPPZ-XHDPSFHLSA-N -1 0 317.772 3.532 20 0 DHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000237752857 601296915 /nfs/dbraw/zinc/29/69/15/601296915.db2.gz JIAOMGZFUGLSRC-ABAIWWIYSA-N -1 0 317.410 3.557 20 0 DHADRM Cn1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)[O-] ZINC000833052515 601311772 /nfs/dbraw/zinc/31/17/72/601311772.db2.gz YDXQMRGMKCBBMC-UHFFFAOYSA-N -1 0 320.348 3.643 20 0 DHADRM O=C([O-])c1ccc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)[nH]1 ZINC000833312143 601331846 /nfs/dbraw/zinc/33/18/46/601331846.db2.gz KIWIRBDDHBOMJU-XVNBXDOJSA-N -1 0 323.686 3.604 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828200955 601333399 /nfs/dbraw/zinc/33/33/99/601333399.db2.gz MIIOILQCLGEBTF-UXIGCNINSA-N -1 0 302.374 3.570 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828200838 601333603 /nfs/dbraw/zinc/33/36/03/601333603.db2.gz JKIUGQXSNWCGGW-JRPNMDOOSA-N -1 0 320.364 3.709 20 0 DHADRM Cc1cc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1C(=O)[O-] ZINC000832894728 601337111 /nfs/dbraw/zinc/33/71/11/601337111.db2.gz NGPVLPGKBUGZDY-WWGRRREGSA-N -1 0 316.401 3.878 20 0 DHADRM Cc1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000832948763 601339204 /nfs/dbraw/zinc/33/92/04/601339204.db2.gz CZROULMHXKBWOA-FZMZJTMJSA-N -1 0 306.431 3.558 20 0 DHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(C(=O)[O-])cc1 ZINC000621490504 601342596 /nfs/dbraw/zinc/34/25/96/601342596.db2.gz AIAMEWKBQBPUFA-SNVBAGLBSA-N -1 0 314.312 3.793 20 0 DHADRM Cc1oc(COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1C(=O)[O-] ZINC000833025903 601346315 /nfs/dbraw/zinc/34/63/15/601346315.db2.gz AFOFULJDZIVEPL-MRVPVSSYSA-N -1 0 318.300 3.694 20 0 DHADRM CC(C)c1cnc(S[C@@H](C(=O)[O-])c2ccccc2F)n1C ZINC000827140043 601348398 /nfs/dbraw/zinc/34/83/98/601348398.db2.gz XFWNSICBXJEVNZ-CYBMUJFWSA-N -1 0 308.378 3.601 20 0 DHADRM O=C([O-])c1cccc(OC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000833096126 601349668 /nfs/dbraw/zinc/34/96/68/601349668.db2.gz HSPMJYHWKOFHLZ-HNQUOIGGSA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C/c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)(C)C ZINC000825798364 601363230 /nfs/dbraw/zinc/36/32/30/601363230.db2.gz ICAKGHRUBVYVKY-FLIBITNWSA-N -1 0 316.357 3.796 20 0 DHADRM O=C([O-])c1cccc(OCc2noc(C3CCCCCC3)n2)c1 ZINC000833333775 601366632 /nfs/dbraw/zinc/36/66/32/601366632.db2.gz YBMPJCKCXKNDBL-UHFFFAOYSA-N -1 0 316.357 3.785 20 0 DHADRM Cc1ccc(C)c(NC(=S)Nc2ccccc2CC(=O)[O-])c1 ZINC000818885413 601367040 /nfs/dbraw/zinc/36/70/40/601367040.db2.gz WMYYRCAGKFBDED-UHFFFAOYSA-N -1 0 314.410 3.739 20 0 DHADRM CCc1cccc(NC(=S)Nc2ccccc2CC(=O)[O-])c1 ZINC000818339266 601367201 /nfs/dbraw/zinc/36/72/01/601367201.db2.gz DOTCNOAPZKRPFV-UHFFFAOYSA-N -1 0 314.410 3.685 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1c(C)cccc1C ZINC000828796240 601377772 /nfs/dbraw/zinc/37/77/72/601377772.db2.gz DRGBIHLVCQUDGC-UHFFFAOYSA-N -1 0 308.447 3.623 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1cc(C)cc(C)c1 ZINC000828796524 601378187 /nfs/dbraw/zinc/37/81/87/601378187.db2.gz JQKFEFXCMUXVPM-UHFFFAOYSA-N -1 0 308.447 3.623 20 0 DHADRM O=C([O-])C1(CNc2ccc(C(F)(F)F)c(Cl)n2)CCCC1 ZINC000833174790 601379431 /nfs/dbraw/zinc/37/94/31/601379431.db2.gz WNWSLXSBUQWJJP-UHFFFAOYSA-N -1 0 322.714 3.811 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(Cl)ccc1OC ZINC000830379122 601389390 /nfs/dbraw/zinc/38/93/90/601389390.db2.gz JTOONYRTEAATRJ-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1N1CCCCC1 ZINC000833025025 601389798 /nfs/dbraw/zinc/38/97/98/601389798.db2.gz CRHFLIFNVBJPLG-UHFFFAOYSA-N -1 0 314.385 3.889 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CC1CCCCCC1)c1ccccc1 ZINC000238203733 601391673 /nfs/dbraw/zinc/39/16/73/601391673.db2.gz MEGVXOJTFGYUFP-INIZCTEOSA-N -1 0 303.402 3.679 20 0 DHADRM CCn1nc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C1CC1 ZINC000830445323 601392379 /nfs/dbraw/zinc/39/23/79/601392379.db2.gz JWESAQNSZMHSDZ-HNNXBMFYSA-N -1 0 319.792 3.672 20 0 DHADRM Cc1cnc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000832985892 601393013 /nfs/dbraw/zinc/39/30/13/601393013.db2.gz QRWJKBPVLATLAW-JOYOIKCWSA-N -1 0 310.806 3.581 20 0 DHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000237750745 601393286 /nfs/dbraw/zinc/39/32/86/601393286.db2.gz MCCNESDWKHQLND-JWPZBHSISA-N -1 0 323.392 3.668 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000237734776 601393910 /nfs/dbraw/zinc/39/39/10/601393910.db2.gz MGMMNDWHMVFBDN-DYVFJYSZSA-N -1 0 303.402 3.535 20 0 DHADRM C/C(=C/COC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000825775343 601403981 /nfs/dbraw/zinc/40/39/81/601403981.db2.gz PKWFMZOCQSJZJT-FLIBITNWSA-N -1 0 309.321 3.509 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC000832870801 601410223 /nfs/dbraw/zinc/41/02/23/601410223.db2.gz MEBNYIYSNNLQTM-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM CCS[C@H]1CCCC[C@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000830164165 601410735 /nfs/dbraw/zinc/41/07/35/601410735.db2.gz QQCBXRISRDVTKY-SFYZADRCSA-N -1 0 320.867 3.971 20 0 DHADRM CCc1oc(C(=O)[O-])cc1C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000830363313 601420318 /nfs/dbraw/zinc/42/03/18/601420318.db2.gz RIVFKGZOCPJHQN-LBPRGKRZSA-N -1 0 317.385 3.829 20 0 DHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)OC/C=C(/C)C(=O)[O-] ZINC000829014117 601426034 /nfs/dbraw/zinc/42/60/34/601426034.db2.gz CGGISLCIWBLSLG-WVUXNXBLSA-N -1 0 320.385 3.542 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000833287467 601428684 /nfs/dbraw/zinc/42/86/84/601428684.db2.gz ITYAUHCEGKGSTG-UHFFFAOYSA-N -1 0 324.336 3.548 20 0 DHADRM O=C([O-])NCc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000833280368 601434317 /nfs/dbraw/zinc/43/43/17/601434317.db2.gz HKEUOZUCAKKAOG-MRXNPFEDSA-N -1 0 300.333 3.693 20 0 DHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829014853 601441140 /nfs/dbraw/zinc/44/11/40/601441140.db2.gz RYSASACKEZYNDM-LBPRGKRZSA-N -1 0 319.382 3.551 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000825798816 601441838 /nfs/dbraw/zinc/44/18/38/601441838.db2.gz ZLUYOVFWQHLQOH-CMDGGOBGSA-N -1 0 305.330 3.627 20 0 DHADRM Cc1cc(COC(=O)C/C=C\c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832885099 601470962 /nfs/dbraw/zinc/47/09/62/601470962.db2.gz JQVKOFLTXXGATP-IHWYPQMZSA-N -1 0 318.300 3.572 20 0 DHADRM C[C@@H]1CC/C(=C/c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC000828207712 601497790 /nfs/dbraw/zinc/49/77/90/601497790.db2.gz PMGFOEBZWPEMIU-HQQGHWSLSA-N -1 0 314.341 3.550 20 0 DHADRM CC(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)=C1CCCC1 ZINC000826012518 601502588 /nfs/dbraw/zinc/50/25/88/601502588.db2.gz HCKILROOFUHILE-UHFFFAOYSA-N -1 0 301.386 3.878 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000828200938 601503850 /nfs/dbraw/zinc/50/38/50/601503850.db2.gz MFPWEGJAPJYVRU-HUUIHGMVSA-N -1 0 321.804 3.718 20 0 DHADRM Cc1c(NC(=O)/C=C/SCc2ccco2)cccc1C(=O)[O-] ZINC000776607022 601558382 /nfs/dbraw/zinc/55/83/82/601558382.db2.gz ASDXQCYNJBUIFV-VQHVLOKHSA-N -1 0 317.366 3.672 20 0 DHADRM O=C([O-])c1coc(CN2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000833339051 601563173 /nfs/dbraw/zinc/56/31/73/601563173.db2.gz CHZXPHJDURHULY-UHFFFAOYSA-N -1 0 323.348 3.796 20 0 DHADRM C[C@@]1(c2ccccc2)CCN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC000828128672 601565193 /nfs/dbraw/zinc/56/51/93/601565193.db2.gz UXGXTHRZWIQINO-OAHLLOKOSA-N -1 0 322.817 3.663 20 0 DHADRM Cc1cccc2[nH]c(COC(=O)c3ccc(NC(=O)[O-])cc3)cc21 ZINC000832976076 601599828 /nfs/dbraw/zinc/59/98/28/601599828.db2.gz NMTDRMFZADHKQI-UHFFFAOYSA-N -1 0 324.336 3.923 20 0 DHADRM CC[C@H](CC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC000676025335 601603907 /nfs/dbraw/zinc/60/39/07/601603907.db2.gz QISZZIATKBBNRO-OAHLLOKOSA-N -1 0 317.429 3.640 20 0 DHADRM CCCc1nc(CNc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000829570888 601607094 /nfs/dbraw/zinc/60/70/94/601607094.db2.gz LBJCLAYQOPFGRK-UHFFFAOYSA-N -1 0 304.415 3.725 20 0 DHADRM O=C([O-])[C@H](OC(=O)C=C1CCC1)c1ccc(Cl)cc1Cl ZINC000833092362 601610810 /nfs/dbraw/zinc/61/08/10/601610810.db2.gz DDGFXIRHPNDNMT-CYBMUJFWSA-N -1 0 315.152 3.773 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)(C)C ZINC000776665913 601619809 /nfs/dbraw/zinc/61/98/09/601619809.db2.gz HMRNHXNLHIVRCQ-MARXPDLDSA-N -1 0 323.820 3.964 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)NC[C@@H](C)C(=O)[O-])c(C)c1 ZINC000653537981 601622399 /nfs/dbraw/zinc/62/23/99/601622399.db2.gz NQFGKMUXPUCLMN-NEPJUHHUSA-N -1 0 324.446 3.728 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000776661354 601642809 /nfs/dbraw/zinc/64/28/09/601642809.db2.gz IKYXVFYSSVKHCT-KKUMJFAQSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2c(F)ccc(F)c2C1 ZINC000833031873 601659159 /nfs/dbraw/zinc/65/91/59/601659159.db2.gz PKSRZGXXCMGTKI-UHFFFAOYSA-N -1 0 323.364 3.591 20 0 DHADRM CC(C)CC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000236663230 601664220 /nfs/dbraw/zinc/66/42/20/601664220.db2.gz BBZALIDTEXBMIC-UHFFFAOYSA-N -1 0 303.402 3.560 20 0 DHADRM CCN(C(=O)c1cc(F)cc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000829602770 601672610 /nfs/dbraw/zinc/67/26/10/601672610.db2.gz ZADRTCYVOHESSW-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM N#Cc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000236479945 601672942 /nfs/dbraw/zinc/67/29/42/601672942.db2.gz YCJUUWPALPVPLT-UHFFFAOYSA-N -1 0 305.692 3.628 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CCC2)c2ccccc2)s1 ZINC000237965909 601678167 /nfs/dbraw/zinc/67/81/67/601678167.db2.gz NHEGJVVWZLLCNF-UHFFFAOYSA-N -1 0 315.394 3.893 20 0 DHADRM CCCN(C(=O)NCC(C)(C)C(=O)[O-])[C@H](CC)c1ccccc1 ZINC000829453271 601686823 /nfs/dbraw/zinc/68/68/23/601686823.db2.gz RUHKBFHKZFPAIE-OAHLLOKOSA-N -1 0 320.433 3.670 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc2cc[nH]c2c1 ZINC000833033188 601722257 /nfs/dbraw/zinc/72/22/57/601722257.db2.gz RJGHRRBSEIOIDQ-UHFFFAOYSA-N -1 0 315.350 3.593 20 0 DHADRM CCC(C)(CC)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000319916224 601727080 /nfs/dbraw/zinc/72/70/80/601727080.db2.gz GJOFKOUEOVRKJV-UHFFFAOYSA-N -1 0 306.406 3.749 20 0 DHADRM Cc1ccccc1CCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832980812 601727958 /nfs/dbraw/zinc/72/79/58/601727958.db2.gz LZVKERWWOSIKBU-UHFFFAOYSA-N -1 0 316.328 3.508 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1F ZINC000832921123 601728145 /nfs/dbraw/zinc/72/81/45/601728145.db2.gz MOCBDEDKRIDKBZ-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2cc3occc3s2)cc1F ZINC000833353554 601730168 /nfs/dbraw/zinc/73/01/68/601730168.db2.gz UROUFYGVRSISAY-UHFFFAOYSA-N -1 0 320.297 3.689 20 0 DHADRM O=C([O-])CCCc1csc(NC(=O)CC2CCCCCC2)n1 ZINC000318483565 601744394 /nfs/dbraw/zinc/74/43/94/601744394.db2.gz UWDLWYNZFUVRIN-UHFFFAOYSA-N -1 0 324.446 3.849 20 0 DHADRM C[C@H](NC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1F ZINC000736658563 601748316 /nfs/dbraw/zinc/74/83/16/601748316.db2.gz KFRICOGDRMJVMM-VIFPVBQESA-N -1 0 320.295 3.546 20 0 DHADRM Cc1cccc2cc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)oc21 ZINC000832974892 601750311 /nfs/dbraw/zinc/75/03/11/601750311.db2.gz OWINBXJDTPQILX-HNNXBMFYSA-N -1 0 315.369 3.505 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829119852 601753985 /nfs/dbraw/zinc/75/39/85/601753985.db2.gz WDQOTLQPQLPEPG-SMDDNHRTSA-N -1 0 305.378 3.501 20 0 DHADRM Cc1nn(Cc2cc(C)nc3ccccc23)c(C)c1[C@H](C)C(=O)[O-] ZINC000832887075 601779440 /nfs/dbraw/zinc/77/94/40/601779440.db2.gz XBWVXDUTYJLCTI-LBPRGKRZSA-N -1 0 323.396 3.593 20 0 DHADRM CCC1(CC)CCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000316281641 601779557 /nfs/dbraw/zinc/77/95/57/601779557.db2.gz HVNYODSMJFFONB-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM CC(C)[C@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000161064877 601794620 /nfs/dbraw/zinc/79/46/20/601794620.db2.gz CNLSIJXOISZSAS-JTQLQIEISA-N -1 0 310.781 3.548 20 0 DHADRM COc1cccc([C@@H](C)CC(=O)Nc2sccc2C(=O)[O-])c1 ZINC000832528144 601802007 /nfs/dbraw/zinc/80/20/07/601802007.db2.gz ILHRCOXCRFRNPY-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM Cc1cc(CCCC(=O)N2CCCC[C@H]2CC(=O)[O-])c(C)s1 ZINC000679397113 601802268 /nfs/dbraw/zinc/80/22/68/601802268.db2.gz SBZZMFWMCCONJG-HNNXBMFYSA-N -1 0 323.458 3.543 20 0 DHADRM CCCCCC(C)(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829304945 601804043 /nfs/dbraw/zinc/80/40/43/601804043.db2.gz PBYJPEOMQZEMOQ-UHFFFAOYSA-N -1 0 306.406 3.999 20 0 DHADRM O=C([O-])c1sccc1CSc1ncnc2ccccc21 ZINC000110953267 601805224 /nfs/dbraw/zinc/80/52/24/601805224.db2.gz ZUXBLEPLQWRLOB-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccnc(Cl)c1 ZINC000833162539 601808354 /nfs/dbraw/zinc/80/83/54/601808354.db2.gz MEGDQEKIHCUBCP-UHFFFAOYSA-N -1 0 322.773 3.624 20 0 DHADRM O=C([O-])c1sccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000577617939 601808487 /nfs/dbraw/zinc/80/84/87/601808487.db2.gz UETVPSOAQHPASD-AWEZNQCLSA-N -1 0 305.374 3.923 20 0 DHADRM Cc1ccccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832976845 601809065 /nfs/dbraw/zinc/80/90/65/601809065.db2.gz GONYMUICAGAWJN-UHFFFAOYSA-N -1 0 301.367 3.884 20 0 DHADRM C[C@H](C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccco1 ZINC000737568547 601809670 /nfs/dbraw/zinc/80/96/70/601809670.db2.gz GDJDCGSJJTVNMY-QMMMGPOBSA-N -1 0 305.355 3.659 20 0 DHADRM Cc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832962995 601810186 /nfs/dbraw/zinc/81/01/86/601810186.db2.gz JKMYUUKEIGXMFV-UHFFFAOYSA-N -1 0 301.367 3.884 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659397253 601826896 /nfs/dbraw/zinc/82/68/96/601826896.db2.gz XEGDXYVWXSNUFE-HOTGVXAUSA-N -1 0 324.465 3.632 20 0 DHADRM O=C([O-])CCC1CCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000833224588 601831013 /nfs/dbraw/zinc/83/10/13/601831013.db2.gz CPKZBOKEDDCGOI-UHFFFAOYSA-N -1 0 318.804 3.969 20 0 DHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2ccccc2)s1 ZINC000833100922 601847101 /nfs/dbraw/zinc/84/71/01/601847101.db2.gz KGLZXQBPBVCGJB-UHFFFAOYSA-N -1 0 321.423 3.708 20 0 DHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(C(=O)[O-])s1 ZINC000828151614 601849127 /nfs/dbraw/zinc/84/91/27/601849127.db2.gz XDWXJFJTCPEWHI-MRVPVSSYSA-N -1 0 320.341 3.854 20 0 DHADRM O=C([O-])CSc1ccc(OC(=O)/C=C\c2cccs2)cc1 ZINC000833264159 601876039 /nfs/dbraw/zinc/87/60/39/601876039.db2.gz ZEXKDVPEUCPZJS-FPLPWBNLSA-N -1 0 320.391 3.544 20 0 DHADRM CN(CCC1CCCCC1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737415301 601889340 /nfs/dbraw/zinc/88/93/40/601889340.db2.gz LEQACXCTMAVIKW-UHFFFAOYSA-N -1 0 304.390 3.819 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739357300 601890594 /nfs/dbraw/zinc/89/05/94/601890594.db2.gz CPJDAPOBBSSPEP-UHFFFAOYSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(C)s1 ZINC000678991015 601908370 /nfs/dbraw/zinc/90/83/70/601908370.db2.gz NQQPQLKQANPRFS-TZMCWYRMSA-N -1 0 309.431 3.518 20 0 DHADRM CSc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262075865 601912146 /nfs/dbraw/zinc/91/21/46/601912146.db2.gz JMJKWOPFELJEBB-GJZGRUSLSA-N -1 0 321.442 3.562 20 0 DHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000739529607 601966472 /nfs/dbraw/zinc/96/64/72/601966472.db2.gz DOLOALWLNNBBTE-LBPRGKRZSA-N -1 0 310.419 3.562 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccc(Br)cc2)c1 ZINC000819579498 601966648 /nfs/dbraw/zinc/96/66/48/601966648.db2.gz AQOOHBYVZCHJRL-UHFFFAOYSA-N -1 0 320.186 3.688 20 0 DHADRM Cc1ccccc1-c1cnc(CNc2cccc(CC(=O)[O-])c2)o1 ZINC000818954098 601967803 /nfs/dbraw/zinc/96/78/03/601967803.db2.gz RGYFECVINZBXTQ-UHFFFAOYSA-N -1 0 322.364 3.889 20 0 DHADRM Cc1ccc(C)c(NC(=S)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740116809 601979005 /nfs/dbraw/zinc/97/90/05/601979005.db2.gz 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CCC[C@H](C(=O)N(C)CCCC(=O)[O-])c1cccc(Cl)c1 ZINC000630102024 953836238 /nfs/dbraw/zinc/83/62/38/953836238.db2.gz PIEIRAQXGJPFFC-AWEZNQCLSA-N -1 0 311.809 3.547 20 0 DHADRM CCC[C@@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000630179545 953845290 /nfs/dbraw/zinc/84/52/90/953845290.db2.gz KZAWJUSZQNAEST-KFWWJZLASA-N -1 0 323.820 3.593 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000635018626 953871847 /nfs/dbraw/zinc/87/18/47/953871847.db2.gz OZVOFLDYQUXPFI-PSASIEDQSA-N -1 0 320.191 3.675 20 0 DHADRM CC1CCC(C)(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC001589322879 953879300 /nfs/dbraw/zinc/87/93/00/953879300.db2.gz AQQPQNSTIPMZLS-CSLYMUCUSA-N -1 0 324.465 3.632 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)NC2(C(=O)[O-])CCCC2)C1(C)C ZINC001589324268 953886801 /nfs/dbraw/zinc/88/68/01/953886801.db2.gz QTJFMOKJHWZKFL-UWOMVZDOSA-N -1 0 307.434 3.519 20 0 DHADRM CN(C(=O)[C@]1(C(=O)[O-])CC1(C)C)C1CC(C)(C)CC(C)(C)C1 ZINC001593676648 953935344 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ZINC000663115499 954508866 /nfs/dbraw/zinc/50/88/66/954508866.db2.gz CGFWSSMEGVUYGU-MEBBXXQBSA-N -1 0 317.772 3.571 20 0 DHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)CC3CCC3)sc2[C@H](C)O1 ZINC001589410706 954513150 /nfs/dbraw/zinc/51/31/50/954513150.db2.gz IEOSIDRFKKKLHM-IUCAKERBSA-N -1 0 323.414 3.597 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000663120412 954514961 /nfs/dbraw/zinc/51/49/61/954514961.db2.gz QPQNKSUAWJQTNH-LDYMZIIASA-N -1 0 323.801 3.632 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000668300169 954566540 /nfs/dbraw/zinc/56/65/40/954566540.db2.gz CQFXEFVFVLOBFM-KDOFPFPSSA-N -1 0 323.392 3.711 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2c(cccc2Cl)s1)C1CC1 ZINC000669437983 954575394 /nfs/dbraw/zinc/57/53/94/954575394.db2.gz UDFRAXPRIJDFFB-QMMMGPOBSA-N -1 0 323.801 3.632 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001589420918 954604830 /nfs/dbraw/zinc/60/48/30/954604830.db2.gz VONQPYJASOTBLS-UDLYIEAKSA-N -1 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/nfs/dbraw/zinc/74/71/67/957747167.db2.gz DXAVLEVERMNWJO-MRVPVSSYSA-N -1 0 319.382 3.725 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CC23CCCC3)c1Cl ZINC001574787804 957792073 /nfs/dbraw/zinc/79/20/73/957792073.db2.gz HXOOJJLZRUHEFD-MRVPVSSYSA-N -1 0 311.740 3.696 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(F)c2Cl)c1 ZINC001594288641 957801506 /nfs/dbraw/zinc/80/15/06/957801506.db2.gz BKMQETPVGFFMGQ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2cc(F)cc(Cl)c2)c1 ZINC001594289145 957808565 /nfs/dbraw/zinc/80/85/65/957808565.db2.gz LTZKFJADVUIZSI-UHFFFAOYSA-N -1 0 308.692 3.705 20 0 DHADRM O=C([O-])CC1(NC(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000084141857 957857040 /nfs/dbraw/zinc/85/70/40/957857040.db2.gz LNIDLHGQMNIOMU-UHFFFAOYSA-N -1 0 316.184 3.511 20 0 DHADRM Cc1cc2sc(N3CCC[C@@H](CC(=O)[O-])C3)nc2c(C)c1 ZINC001594294313 957858608 /nfs/dbraw/zinc/85/86/08/957858608.db2.gz FKOLKOBIHILBHQ-LBPRGKRZSA-N -1 0 304.415 3.604 20 0 DHADRM Cc1cc(C)cc(CN(C)C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001594298285 957885130 /nfs/dbraw/zinc/88/51/30/957885130.db2.gz LDMLYXOKCSSTRN-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CCCCC(=O)[O-] ZINC001594310882 958016435 /nfs/dbraw/zinc/01/64/35/958016435.db2.gz RICHKBYVPVQCKT-UHFFFAOYSA-N -1 0 321.270 3.736 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000088129444 958045658 /nfs/dbraw/zinc/04/56/58/958045658.db2.gz HRUSPOPJWSOSFK-NWDGAFQWSA-N -1 0 303.383 3.731 20 0 DHADRM Cc1cc(NC(=O)NC2(Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC001594320730 958129707 /nfs/dbraw/zinc/12/97/07/958129707.db2.gz QSJMBVQCMWUWMU-UHFFFAOYSA-N -1 0 324.380 3.590 20 0 DHADRM O=C([O-])c1cncc(Sc2cc(Cl)ccc2Cl)n1 ZINC000091422713 958148269 /nfs/dbraw/zinc/14/82/69/958148269.db2.gz IUGGNYVLZBIWGH-UHFFFAOYSA-N -1 0 301.154 3.633 20 0 DHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603215163 972327344 /nfs/dbraw/zinc/32/73/44/972327344.db2.gz BQYAAOCTCAXXLO-GJZGRUSLSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC000093291361 958243719 /nfs/dbraw/zinc/24/37/19/958243719.db2.gz ASJCNQYWXRMGBA-VIFPVBQESA-N -1 0 310.806 3.562 20 0 DHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)N[C@H](C)C(=O)[O-])o1 ZINC001594333787 958247931 /nfs/dbraw/zinc/24/79/31/958247931.db2.gz BQPPNQPUCQQZLC-SECBINFHSA-N -1 0 322.748 3.503 20 0 DHADRM Cc1ccc(-c2nc(C3(C(=O)[O-])CCC3)no2)c(Cl)c1C ZINC001594335105 958257517 /nfs/dbraw/zinc/25/75/17/958257517.db2.gz AWEHLRMAHBTPSH-UHFFFAOYSA-N -1 0 306.749 3.513 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000391384869 972332377 /nfs/dbraw/zinc/33/23/77/972332377.db2.gz YKPQZAZCJVTTEL-MRXNPFEDSA-N -1 0 317.429 3.773 20 0 DHADRM Cc1ccc([C@H](C)CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001594349472 958336916 /nfs/dbraw/zinc/33/69/16/958336916.db2.gz IRTUVJIQRZVDJK-CQSZACIVSA-N -1 0 311.381 3.535 20 0 DHADRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000322978938 1013172130 /nfs/dbraw/zinc/17/21/30/1013172130.db2.gz VDUNWGLIKQXMLA-JHJVBQTASA-N -1 0 318.373 3.845 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000108247862 958375170 /nfs/dbraw/zinc/37/51/70/958375170.db2.gz MPSRRDCMBQEHGH-UHFFFAOYSA-N -1 0 302.418 3.732 20 0 DHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355414 958410918 /nfs/dbraw/zinc/41/09/18/958410918.db2.gz RSDARJDZFGTFOE-GDBMZVCRSA-N -1 0 319.445 3.569 20 0 DHADRM Cc1ccc(F)cc1[C@@H](C)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001594364804 958482773 /nfs/dbraw/zinc/48/27/73/958482773.db2.gz GYEQGOYDXGFJBN-GFCCVEGCSA-N -1 0 316.328 3.679 20 0 DHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1C ZINC001588479759 958578729 /nfs/dbraw/zinc/57/87/29/958578729.db2.gz DORRNWVLRPQHNP-QINSGFPZSA-N -1 0 315.413 3.692 20 0 DHADRM Cc1ccc([C@H](C)OC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001594378419 958610244 /nfs/dbraw/zinc/61/02/44/958610244.db2.gz ZAHBLORXVKWKNS-GUOLPTJISA-N -1 0 300.310 3.604 20 0 DHADRM Cc1ccc([C@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001594378389 958610250 /nfs/dbraw/zinc/61/02/50/958610250.db2.gz XXLZJZYKLILKHB-OANVXVOSSA-N -1 0 300.310 3.604 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)[C@H](F)CC1CCCCC1)C(=O)[O-] ZINC001573395943 958716664 /nfs/dbraw/zinc/71/66/64/958716664.db2.gz QUPGFTCKSOJEJA-ZIAGYGMSSA-N -1 0 315.429 3.691 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CCCC2CCCC2)C(=O)[O-])c1 ZINC001594391990 958738135 /nfs/dbraw/zinc/73/81/35/958738135.db2.gz NDUREYMKRNRKRV-QGZVFWFLSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc([C@H](NC(=O)Nc2ccc3occc3c2)C(=O)[O-])c1 ZINC001594397930 958790389 /nfs/dbraw/zinc/79/03/89/958790389.db2.gz PMIVQKMNSYRDSM-INIZCTEOSA-N -1 0 324.336 3.689 20 0 DHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc3occc3c2)C(=O)[O-])c1 ZINC001594397931 958791497 /nfs/dbraw/zinc/79/14/97/958791497.db2.gz PMIVQKMNSYRDSM-MRXNPFEDSA-N -1 0 324.336 3.689 20 0 DHADRM Cc1cccc([C@@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])c1 ZINC001594398075 958793829 /nfs/dbraw/zinc/79/38/29/958793829.db2.gz QBYANLYSSVPQRI-CYBMUJFWSA-N -1 0 313.275 3.522 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594403523 958870114 /nfs/dbraw/zinc/87/01/14/958870114.db2.gz GQEOUSWHBYBRPO-WAYWQWQTSA-N -1 0 320.728 3.696 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001573462669 958920069 /nfs/dbraw/zinc/92/00/69/958920069.db2.gz JHMJXFPOJXFJRW-RMKNXTFCSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)ccc1Cl ZINC000138112964 958947473 /nfs/dbraw/zinc/94/74/73/958947473.db2.gz IPIFNEFPYUSIDT-UHFFFAOYSA-N -1 0 309.793 3.556 20 0 DHADRM Cc1cccc2c1CC[C@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594412750 958960668 /nfs/dbraw/zinc/96/06/68/958960668.db2.gz NXOYPDDZVMIUKT-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1cccc2cc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)sc21 ZINC001594413023 958962203 /nfs/dbraw/zinc/96/22/03/958962203.db2.gz RVVMGNLNOYZTOO-LBPRGKRZSA-N -1 0 317.410 3.537 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC001573489864 959008087 /nfs/dbraw/zinc/00/80/87/959008087.db2.gz KDLQIYQWKWVNEK-QGZVFWFLSA-N -1 0 312.365 3.540 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001573490098 959012525 /nfs/dbraw/zinc/01/25/25/959012525.db2.gz VUPAXZSGGYUOCX-KRWDZBQOSA-N -1 0 317.429 3.707 20 0 DHADRM CC(C)[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001573501177 959063935 /nfs/dbraw/zinc/06/39/35/959063935.db2.gz FZQVCGFQAOJPJP-BEFAXECRSA-N -1 0 313.397 3.584 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001573501655 959067574 /nfs/dbraw/zinc/06/75/74/959067574.db2.gz JFHAQOJKRTXBJT-GDBMZVCRSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1ccnc2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc12 ZINC001594425153 959110298 /nfs/dbraw/zinc/11/02/98/959110298.db2.gz JZSAXJVSZPPZFI-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM CSc1cc(Nc2ccc(C(=O)[O-])c(C)c2)nc(SC)n1 ZINC001594189388 959156473 /nfs/dbraw/zinc/15/64/73/959156473.db2.gz BLJFJBNGNWNJRY-UHFFFAOYSA-N -1 0 321.427 3.671 20 0 DHADRM CSc1c(F)cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001594189555 959160414 /nfs/dbraw/zinc/16/04/14/959160414.db2.gz NPCQFXIKQZGWPK-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CC(C)Cc1ccccc1COC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001573543631 959195657 /nfs/dbraw/zinc/19/56/57/959195657.db2.gz IZAVJYWPNDBPGV-HNNXBMFYSA-N -1 0 306.402 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001588576007 959228852 /nfs/dbraw/zinc/22/88/52/959228852.db2.gz MSAIOMKITTXYAG-RITPCOANSA-N -1 0 324.591 3.545 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001573566240 959288893 /nfs/dbraw/zinc/28/88/93/959288893.db2.gz FQTRULCWJAOYIR-UHFFFAOYSA-N -1 0 313.357 3.572 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573577278 959335273 /nfs/dbraw/zinc/33/52/73/959335273.db2.gz SVIQYXRFUCHJCJ-HIFRSBDPSA-N -1 0 305.418 3.576 20 0 DHADRM C[C@H](C(=O)[O-])c1noc([C@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC001588601854 959429643 /nfs/dbraw/zinc/42/96/43/959429643.db2.gz CCGRRAYNQUSCFB-LKTVYLICSA-N -1 0 308.337 3.682 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC001594227661 959441603 /nfs/dbraw/zinc/44/16/03/959441603.db2.gz CTMDZFZHPLSQQG-XIKOKIGWSA-N -1 0 311.337 3.528 20 0 DHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)c1ccc2ccccc2c1 ZINC000183809470 959451818 /nfs/dbraw/zinc/45/18/18/959451818.db2.gz WLBLRLPXFANOSD-UHFFFAOYSA-N -1 0 309.321 3.798 20 0 DHADRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC001594234609 959499286 /nfs/dbraw/zinc/49/92/86/959499286.db2.gz CAOFAFIXRNXKKD-RNKPRXRFSA-N -1 0 319.744 3.522 20 0 DHADRM Cc1ccccc1C1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000190638954 959516412 /nfs/dbraw/zinc/51/64/12/959516412.db2.gz PDWFNYHIPSSMJI-UHFFFAOYSA-N -1 0 317.429 3.592 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(Cl)cc1-c1ccccc1)C(=O)[O-] ZINC001594238644 959521767 /nfs/dbraw/zinc/52/17/67/959521767.db2.gz MNCGRRQVENYXPC-JTQLQIEISA-N -1 0 318.760 3.602 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)C2(C(=O)[O-])CCCCC2)C1(C)C ZINC001594245476 959561288 /nfs/dbraw/zinc/56/12/88/959561288.db2.gz QXLQUPAYPSQISR-GUYCJALGSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CCC2CCCC2)cc1)C(=O)[O-] ZINC000191427396 959566054 /nfs/dbraw/zinc/56/60/54/959566054.db2.gz ACRXKSIPHCSEJU-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192850976 959593064 /nfs/dbraw/zinc/59/30/64/959593064.db2.gz RTTYRNIQMXETAB-MRXNPFEDSA-N -1 0 313.353 3.526 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192967797 959600212 /nfs/dbraw/zinc/60/02/12/959600212.db2.gz NWSPRPPOCJAHCU-DOMZBBRYSA-N -1 0 321.392 3.626 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc2c(Cl)nccc12 ZINC001588634826 959645333 /nfs/dbraw/zinc/64/53/33/959645333.db2.gz VUECTZYBUHSTRP-LBPRGKRZSA-N -1 0 320.776 3.574 20 0 DHADRM Cc1c(NC(=O)/C=C\c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000206825197 959662828 /nfs/dbraw/zinc/66/28/28/959662828.db2.gz SSADBMCJIYNXLS-YFHOEESVSA-N -1 0 315.756 3.999 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC001588638380 959669862 /nfs/dbraw/zinc/66/98/62/959669862.db2.gz GMCIXLGAXZPDHF-GUTXKFCHSA-N -1 0 321.392 3.530 20 0 DHADRM CC1(C)CCC(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001573667549 959704973 /nfs/dbraw/zinc/70/49/73/959704973.db2.gz PMPBUHFZWUNTAN-INIZCTEOSA-N -1 0 321.392 3.674 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001588643185 959713382 /nfs/dbraw/zinc/71/33/82/959713382.db2.gz NMAYRLARDAZYOS-JSGCOSHPSA-N -1 0 304.390 3.721 20 0 DHADRM Cc1c(Cl)cc(F)c(NC(=O)CCCCC(=O)[O-])c1F ZINC001594263045 959716860 /nfs/dbraw/zinc/71/68/60/959716860.db2.gz QLRVNQMUCBNEEA-UHFFFAOYSA-N -1 0 305.708 3.510 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573690949 959780985 /nfs/dbraw/zinc/78/09/85/959780985.db2.gz RDMRFRIELLMFAV-KBRIMQKVSA-N -1 0 313.397 3.552 20 0 DHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573698131 959799120 /nfs/dbraw/zinc/79/91/20/959799120.db2.gz HQFVUTMOXLVAQG-WFASDCNBSA-N -1 0 303.402 3.672 20 0 DHADRM C[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296446 960072166 /nfs/dbraw/zinc/07/21/66/960072166.db2.gz PIVGWMHKDHTAEA-ZWNOBZJWSA-N -1 0 322.455 3.557 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(C(C)(C)C)c1 ZINC001588653887 960403885 /nfs/dbraw/zinc/40/38/85/960403885.db2.gz DDNIKLGWFPKYRD-UHFFFAOYSA-N -1 0 305.418 3.557 20 0 DHADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)c2ccccc21 ZINC001573740001 960483481 /nfs/dbraw/zinc/48/34/81/960483481.db2.gz YZIUVXDFVJIJGD-CYBMUJFWSA-N -1 0 301.386 3.562 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000235908444 960530662 /nfs/dbraw/zinc/53/06/62/960530662.db2.gz PPLSCWFNOFUCEZ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC001573770269 960661298 /nfs/dbraw/zinc/66/12/98/960661298.db2.gz NVNXURUXGRPCFZ-KZULUSFZSA-N -1 0 304.386 3.528 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573770616 960666167 /nfs/dbraw/zinc/66/61/67/960666167.db2.gz SRKWPNUGUDDROZ-XJKSGUPXSA-N -1 0 303.402 3.734 20 0 DHADRM CC[C@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC001573776182 960683981 /nfs/dbraw/zinc/68/39/81/960683981.db2.gz KEZCYAMGGHVSIT-CQSZACIVSA-N -1 0 305.418 3.530 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236625739 960718968 /nfs/dbraw/zinc/71/89/68/960718968.db2.gz VTNKLDRELCDAOL-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC001573784887 960732106 /nfs/dbraw/zinc/73/21/06/960732106.db2.gz LYBWKDMAPVHQSE-UHFFFAOYSA-N -1 0 321.270 3.674 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC001573784895 960732830 /nfs/dbraw/zinc/73/28/30/960732830.db2.gz MFEMXIAUSYPIQC-CQSZACIVSA-N -1 0 323.820 3.725 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001573788140 960739974 /nfs/dbraw/zinc/73/99/74/960739974.db2.gz MKYGZWJYHJUGSK-UHFFFAOYSA-N -1 0 311.447 3.666 20 0 DHADRM CCC(CC)(CNC(=O)N[C@H](C)C1CCCCCC1)C(=O)[O-] ZINC001573788104 960740422 /nfs/dbraw/zinc/74/04/22/960740422.db2.gz KVTRBXVYDNUXGB-CYBMUJFWSA-N -1 0 312.454 3.536 20 0 DHADRM CCCCC[C@@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-] ZINC000236811840 960762945 /nfs/dbraw/zinc/76/29/45/960762945.db2.gz LUIBNTNLJWVZRD-CQSZACIVSA-N -1 0 311.447 3.529 20 0 DHADRM CCC[C@@H](C)CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000236849174 960774560 /nfs/dbraw/zinc/77/45/60/960774560.db2.gz SULDRQVJDWQYJL-CABCVRRESA-N -1 0 305.418 3.562 20 0 DHADRM Cc1oc2ccccc2c1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001574318122 960804221 /nfs/dbraw/zinc/80/42/21/960804221.db2.gz MJDAQEYVKHULHX-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000236949375 960808406 /nfs/dbraw/zinc/80/84/06/960808406.db2.gz VBWKXPVJIHEXMR-ZDUSSCGKSA-N -1 0 323.392 3.583 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236967474 960815913 /nfs/dbraw/zinc/81/59/13/960815913.db2.gz SAAWEYGSUWBOSM-NSHDSACASA-N -1 0 322.792 3.680 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC000236988972 960826410 /nfs/dbraw/zinc/82/64/10/960826410.db2.gz SKDRBXLLFQAKME-INIZCTEOSA-N -1 0 311.447 3.611 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000237005478 960832049 /nfs/dbraw/zinc/83/20/49/960832049.db2.gz DWJPHLRCIOCVQN-QAPCUYQASA-N -1 0 305.418 3.576 20 0 DHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000237016955 960837824 /nfs/dbraw/zinc/83/78/24/960837824.db2.gz BDBOWDSMUOEDEW-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)C1CCCCC1 ZINC000237372573 960920390 /nfs/dbraw/zinc/92/03/90/960920390.db2.gz YIRNTIQQCWHJOW-OCCSQVGLSA-N -1 0 323.458 3.987 20 0 DHADRM Cc1cc(NC(=O)NCCCc2ccsc2)ccc1C(=O)[O-] ZINC001574338229 960921414 /nfs/dbraw/zinc/92/14/14/960921414.db2.gz HOKDWSCNIYMLOU-UHFFFAOYSA-N -1 0 318.398 3.509 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCCC(C)(C)C)cc1 ZINC001319218440 960925042 /nfs/dbraw/zinc/92/50/42/960925042.db2.gz PSUFTAPGSOGDGN-HNNXBMFYSA-N -1 0 305.418 3.843 20 0 DHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000048595718 1013215541 /nfs/dbraw/zinc/21/55/41/1013215541.db2.gz RWFTVWDERSCTLF-MRXNPFEDSA-N -1 0 317.410 3.667 20 0 DHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001321954002 961004473 /nfs/dbraw/zinc/00/44/73/961004473.db2.gz MTDNSCOXQUNUQI-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM C/C(=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cnccn1 ZINC001325762114 961061269 /nfs/dbraw/zinc/06/12/69/961061269.db2.gz IDFFHTSXWQRYGB-BENRWUELSA-N -1 0 306.321 3.995 20 0 DHADRM COc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1F ZINC000655553212 1013223576 /nfs/dbraw/zinc/22/35/76/1013223576.db2.gz DVNUBWDIEANCNL-UHFFFAOYSA-N -1 0 323.389 3.759 20 0 DHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1OCCC(C)C ZINC001574374385 961081334 /nfs/dbraw/zinc/08/13/34/961081334.db2.gz ROCLOHLVGGBXFB-UHFFFAOYSA-N -1 0 319.401 3.613 20 0 DHADRM CCCCN(C)c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573843073 961096539 /nfs/dbraw/zinc/09/65/39/961096539.db2.gz OXMXIVBSYNOTOW-OAHLLOKOSA-N -1 0 320.433 3.608 20 0 DHADRM Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)CC2 ZINC001574382266 961114001 /nfs/dbraw/zinc/11/40/01/961114001.db2.gz QFZVIUXQAAUDJY-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Cc1ccccc1F ZINC001574389580 961158852 /nfs/dbraw/zinc/15/88/52/961158852.db2.gz QRADSIUKHSCENT-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238223598 961166561 /nfs/dbraw/zinc/16/65/61/961166561.db2.gz XEBVXACJIYHJHV-HUUCEWRRSA-N -1 0 315.756 3.780 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)CCCCC(=O)[O-])C2 ZINC001588742197 961176578 /nfs/dbraw/zinc/17/65/78/961176578.db2.gz XARCKVRHOPKQOP-UHFFFAOYSA-N -1 0 317.429 3.514 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001573864360 961184111 /nfs/dbraw/zinc/18/41/11/961184111.db2.gz GRFGESRVYTYILA-XHDPSFHLSA-N -1 0 323.820 3.618 20 0 DHADRM Cc1cccc(C2(NC(=O)c3ccc(C(=O)[O-])cc3)CCC2)c1 ZINC001574395093 961206481 /nfs/dbraw/zinc/20/64/81/961206481.db2.gz QECDRDIUWOKABO-UHFFFAOYSA-N -1 0 309.365 3.502 20 0 DHADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001573874786 961235509 /nfs/dbraw/zinc/23/55/09/961235509.db2.gz WLPYCLPTZUDFDF-BQYQJAHWSA-N -1 0 319.744 3.698 20 0 DHADRM Cc1ccccc1C1(NC(=O)c2ccc(C(=O)[O-])cc2)CCC1 ZINC001574402076 961238305 /nfs/dbraw/zinc/23/83/05/961238305.db2.gz TZOXHGAWEGAHDE-UHFFFAOYSA-N -1 0 309.365 3.502 20 0 DHADRM Cc1cccc([C@H](C)OC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001574402418 961242746 /nfs/dbraw/zinc/24/27/46/961242746.db2.gz JFUOACJSWJKODQ-SYTKJHMZSA-N -1 0 300.310 3.604 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001574402820 961244578 /nfs/dbraw/zinc/24/45/78/961244578.db2.gz LWVFMPRCHORAKL-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCCC1)c1cccs1 ZINC001588780107 961306771 /nfs/dbraw/zinc/30/67/71/961306771.db2.gz SUJIPRURYURJMD-UHFFFAOYSA-N -1 0 323.458 3.567 20 0 DHADRM CC(C)(NC(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001588789240 961356086 /nfs/dbraw/zinc/35/60/86/961356086.db2.gz HYCJXKGYMDFVAQ-UHFFFAOYSA-N -1 0 318.417 3.543 20 0 DHADRM CC(C)c1ccc2cc(C(=O)N(C)C(C)(C)CC(=O)[O-])[nH]c2c1 ZINC001331337469 961372160 /nfs/dbraw/zinc/37/21/60/961372160.db2.gz HZXGXBKTFOYQEP-UHFFFAOYSA-N -1 0 316.401 3.617 20 0 DHADRM Cc1cc(Br)cc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000261566917 961380522 /nfs/dbraw/zinc/38/05/22/961380522.db2.gz IIFPNQPCDBQJQN-UHFFFAOYSA-N -1 0 312.207 3.813 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261650259 961385740 /nfs/dbraw/zinc/38/57/40/961385740.db2.gz GGLKNKLZPQOVEO-LSDHHAIUSA-N -1 0 309.365 3.793 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261911639 961398769 /nfs/dbraw/zinc/39/87/69/961398769.db2.gz QGMYPAWWJLHZAJ-UHFFFAOYSA-N -1 0 311.381 3.918 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262097028 961454023 /nfs/dbraw/zinc/45/40/23/961454023.db2.gz LTEXORMWWWSIQE-QWHCGFSZSA-N -1 0 307.415 3.627 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])c1ccccc1 ZINC001588815245 961564436 /nfs/dbraw/zinc/56/44/36/961564436.db2.gz IFARLGMHXPMTCN-QILLFSRXSA-N -1 0 317.429 3.528 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)CC ZINC001332578451 961593550 /nfs/dbraw/zinc/59/35/50/961593550.db2.gz IVVPTOMNESSDFD-IPFMMDRHSA-N -1 0 301.386 3.540 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC001332613336 961602006 /nfs/dbraw/zinc/60/20/06/961602006.db2.gz FMTHOWSZUILQNX-UHFFFAOYSA-N -1 0 319.401 3.616 20 0 DHADRM CC(C)[C@@H](CNc1ccnc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588831319 961726537 /nfs/dbraw/zinc/72/65/37/961726537.db2.gz UCQSYZLWRKFCJU-CYBMUJFWSA-N -1 0 319.792 3.566 20 0 DHADRM CC(C)[C@H](CNc1ccnc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588831320 961726740 /nfs/dbraw/zinc/72/67/40/961726740.db2.gz UCQSYZLWRKFCJU-ZDUSSCGKSA-N -1 0 319.792 3.566 20 0 DHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000262483977 961746646 /nfs/dbraw/zinc/74/66/46/961746646.db2.gz KWLCVSATIOVEJT-GFCCVEGCSA-N -1 0 321.417 3.851 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC001588841347 961804507 /nfs/dbraw/zinc/80/45/07/961804507.db2.gz XOOSSJCZCCFAFM-ZFWWWQNUSA-N -1 0 303.402 3.520 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001588842043 961811825 /nfs/dbraw/zinc/81/18/25/961811825.db2.gz UYANUGFKXSPKHB-IIDMSEBBSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)[C@@H]1N(C(=O)C2(C(=O)[O-])CCCCCC2)CC12CC=CC2 ZINC001588842927 961832492 /nfs/dbraw/zinc/83/24/92/961832492.db2.gz SFTSGDGGMXSVPZ-HNNXBMFYSA-N -1 0 319.445 3.615 20 0 DHADRM Cc1oc(CN(C)C(=O)C(C)(C)CC(C)(C)C)cc1C(=O)[O-] ZINC001334894162 961852786 /nfs/dbraw/zinc/85/27/86/961852786.db2.gz MTUMAPFMWBFVAC-UHFFFAOYSA-N -1 0 309.406 3.707 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC000262817560 961884903 /nfs/dbraw/zinc/88/49/03/961884903.db2.gz AOHVUBAEWUHIBR-GFCCVEGCSA-N -1 0 313.353 3.652 20 0 DHADRM C[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccsc1 ZINC000262834397 961900155 /nfs/dbraw/zinc/90/01/55/961900155.db2.gz BWNNVSJKEGNFHN-QWRGUYRKSA-N -1 0 303.383 3.678 20 0 DHADRM O=C([O-])C1(NC(=O)c2cc(Cl)cc3ccccc32)CCCC1 ZINC001574549682 961969727 /nfs/dbraw/zinc/96/97/27/961969727.db2.gz MYBMEAGCOCYSFE-UHFFFAOYSA-N -1 0 317.772 3.620 20 0 DHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2nc(C(=O)[O-])co2)o1 ZINC000519407581 1013316117 /nfs/dbraw/zinc/31/61/17/1013316117.db2.gz PVKOUWRKBLPIEW-GWCFXTLKSA-N -1 0 304.346 3.506 20 0 DHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001343771876 962170633 /nfs/dbraw/zinc/17/06/33/962170633.db2.gz OROABELSVPRUHE-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM O=C([O-])[C@@H](C(=O)Oc1ccc2oc3ccccc3c2c1)C1CC1 ZINC001574622305 962258282 /nfs/dbraw/zinc/25/82/82/962258282.db2.gz XIKNNZGAHRTVSB-INIZCTEOSA-N -1 0 310.305 3.602 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000263109372 962259710 /nfs/dbraw/zinc/25/97/10/962259710.db2.gz FYZJRZQNCLEZOM-CPUCHLNUSA-N -1 0 317.429 3.625 20 0 DHADRM CC(C)Cc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001588905979 962272566 /nfs/dbraw/zinc/27/25/66/962272566.db2.gz CYAXOGXAKSNHGT-OAHLLOKOSA-N -1 0 306.406 3.506 20 0 DHADRM CC(C)Cc1ccc([C@H](C)C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC001588906082 962274124 /nfs/dbraw/zinc/27/41/24/962274124.db2.gz IWGZNSPPFUYUSS-AWEZNQCLSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001588906299 962280366 /nfs/dbraw/zinc/28/03/66/962280366.db2.gz XFEJPPMLGAGDFB-SFHVURJKSA-N -1 0 301.386 3.635 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)c2ccccc21 ZINC001345777998 962291314 /nfs/dbraw/zinc/29/13/14/962291314.db2.gz ACLMUTDXLGCHDF-SHYRYGCCSA-N -1 0 313.397 3.562 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC=CC1 ZINC001574632809 962302806 /nfs/dbraw/zinc/30/28/06/962302806.db2.gz BTHRYRCZAFZARO-UHFFFAOYSA-N -1 0 307.349 3.713 20 0 DHADRM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001588912187 962324816 /nfs/dbraw/zinc/32/48/16/962324816.db2.gz DZBBIFARPZVYNV-LUAWRHEFSA-N -1 0 305.374 3.561 20 0 DHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588920572 962371380 /nfs/dbraw/zinc/37/13/80/962371380.db2.gz MAGUWOIACYQHCL-UHFFFAOYSA-N -1 0 315.344 3.575 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000263268938 962407856 /nfs/dbraw/zinc/40/78/56/962407856.db2.gz HXFZIACQOBORSN-IRXDYDNUSA-N -1 0 317.429 3.549 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001348489760 962445306 /nfs/dbraw/zinc/44/53/06/962445306.db2.gz BQZZNEIWDOLZDJ-AWEZNQCLSA-N -1 0 317.429 3.536 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000263349908 962504011 /nfs/dbraw/zinc/50/40/11/962504011.db2.gz VFMHPAUGRDFNIF-CQSZACIVSA-N -1 0 323.392 3.836 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263354125 962507875 /nfs/dbraw/zinc/50/78/75/962507875.db2.gz WKKXVOMBRBHVBN-QFBILLFUSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])CC1(C(=O)Nc2nc3cc(Cl)ccc3s2)CCC1 ZINC001574675148 962556760 /nfs/dbraw/zinc/55/67/60/962556760.db2.gz BRANNIWEHKXORN-UHFFFAOYSA-N -1 0 324.789 3.533 20 0 DHADRM CC(C)[C@@H](NC(=O)Nc1ccccc1-c1cccs1)C(=O)[O-] ZINC001588949207 962562673 /nfs/dbraw/zinc/56/26/73/962562673.db2.gz AFMACVALGHGGMH-CQSZACIVSA-N -1 0 318.398 3.646 20 0 DHADRM CC(C)c1ccc(C2(C(=O)NCCC(=O)[O-])CCCCC2)cc1 ZINC001588966644 962649231 /nfs/dbraw/zinc/64/92/31/962649231.db2.gz GQDQEPQTYVFKCO-UHFFFAOYSA-N -1 0 317.429 3.603 20 0 DHADRM O=C([O-])CCCCCNC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001574699679 962675711 /nfs/dbraw/zinc/67/57/11/962675711.db2.gz RXYXKSNPKSTACV-NWDGAFQWSA-N -1 0 323.355 3.506 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001574699813 962676310 /nfs/dbraw/zinc/67/63/10/962676310.db2.gz UIGOMUFSGSNNAB-DZGCQCFKSA-N -1 0 323.820 3.737 20 0 DHADRM CC(C)c1nc(NC[C@@H](C(=O)[O-])C(C)C)cc(C(C)(C)C)n1 ZINC001588974906 962684982 /nfs/dbraw/zinc/68/49/82/962684982.db2.gz JXTTVPZEMNHIOP-GFCCVEGCSA-N -1 0 307.438 3.666 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000263563896 962732896 /nfs/dbraw/zinc/73/28/96/962732896.db2.gz DQHMDQWZJUUDSZ-CQSZACIVSA-N -1 0 303.402 3.808 20 0 DHADRM CC[C@H](CN(CC)C(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000263573971 962739665 /nfs/dbraw/zinc/73/96/65/962739665.db2.gz NDJWIDKLPUHSOH-CYBMUJFWSA-N -1 0 315.369 3.634 20 0 DHADRM C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1(C)CC1 ZINC001517413881 962786860 /nfs/dbraw/zinc/78/68/60/962786860.db2.gz AGWIEFXGYIFLDX-ZDUSSCGKSA-N -1 0 323.392 3.970 20 0 DHADRM CCCc1cc(=O)[nH]c(C(=Cc2cccc(C(=O)[O-])c2)CC)n1 ZINC000279011187 962857989 /nfs/dbraw/zinc/85/79/89/962857989.db2.gz SVSWZIZQHPZJPS-UKTHLTGXSA-N -1 0 312.369 3.784 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000300425229 963004253 /nfs/dbraw/zinc/00/42/53/963004253.db2.gz UCFYSAIFMQYCKT-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)NCCCCCC(=O)[O-] ZINC001573407227 963147564 /nfs/dbraw/zinc/14/75/64/963147564.db2.gz OSPNHGPIBYNHBV-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CC(C)c1nc(CN(C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000049277353 1013415816 /nfs/dbraw/zinc/41/58/16/1013415816.db2.gz JSLJWYZISHGRAW-UHFFFAOYSA-N -1 0 304.415 3.597 20 0 DHADRM COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1C ZINC000314310880 963739501 /nfs/dbraw/zinc/73/95/01/963739501.db2.gz WQOJQXQADNKXRG-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1c(NC(=O)CCc2ccccc2Cl)cccc1C(=O)[O-] ZINC000315105599 963856708 /nfs/dbraw/zinc/85/67/08/963856708.db2.gz XNHXHUYHTFLVNI-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CC(C)c1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000315313042 963878790 /nfs/dbraw/zinc/87/87/90/963878790.db2.gz KGSIYBFLTFUFNE-LLVKDONJSA-N -1 0 304.415 3.816 20 0 DHADRM O=C([O-])CC1(CC(=O)N2CCC[C@H]2c2cccs2)CCCC1 ZINC000315837209 963941118 /nfs/dbraw/zinc/94/11/18/963941118.db2.gz ZNLUVCHEFZVZQD-ZDUSSCGKSA-N -1 0 321.442 3.837 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(C2CC2)cn1 ZINC000353890630 1013467275 /nfs/dbraw/zinc/46/72/75/1013467275.db2.gz CVFQWZIZUBWILP-UHFFFAOYSA-N -1 0 306.724 3.709 20 0 DHADRM Cc1cc(C)c(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cn1 ZINC000397421554 1013497158 /nfs/dbraw/zinc/49/71/58/1013497158.db2.gz UMFULLZZYPIEBQ-UHFFFAOYSA-N -1 0 301.733 3.774 20 0 DHADRM CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1ccoc1 ZINC000655586972 1013518703 /nfs/dbraw/zinc/51/87/03/1013518703.db2.gz IOBFXNWZIBHMMH-UHFFFAOYSA-N -1 0 309.387 3.505 20 0 DHADRM Cc1c(Br)cncc1Nc1cccc(CC(=O)[O-])c1 ZINC001210069898 1013521501 /nfs/dbraw/zinc/52/15/01/1013521501.db2.gz RZFIDEDYRMKQCG-UHFFFAOYSA-N -1 0 321.174 3.523 20 0 DHADRM O=C([O-])Cc1cccc(Nc2c(F)cccc2Br)c1 ZINC001210070972 1013522813 /nfs/dbraw/zinc/52/28/13/1013522813.db2.gz OHLWDHGAWFLOHZ-UHFFFAOYSA-N -1 0 324.149 3.959 20 0 DHADRM C[C@@H](Oc1ccc2cc(Br)cnc2n1)C1=CC=C[CH]1 ZINC001226320818 1013643757 /nfs/dbraw/zinc/64/37/57/1013643757.db2.gz PCDXMESQNHOLLO-SNVBAGLBSA-N -1 0 316.178 3.860 20 0 DHADRM [S-]c1cc([S-])cc(NCC2(c3ccccc3)COC2)c1 ZINC001167297395 1013693939 /nfs/dbraw/zinc/69/39/39/1013693939.db2.gz DLBGHYARBDXEFF-UHFFFAOYSA-N -1 0 303.452 3.644 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)C2(CC(C)C)CC2)s[n-]1 ZINC000441300466 1013706277 /nfs/dbraw/zinc/70/62/77/1013706277.db2.gz GUVJBACORJMJPU-UHFFFAOYSA-N -1 0 321.471 3.762 20 0 DHADRM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000262963871 967833118 /nfs/dbraw/zinc/83/31/18/967833118.db2.gz JMEFNSJESNALJQ-UHFFFAOYSA-N -1 0 317.385 3.589 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113426 967849615 /nfs/dbraw/zinc/84/96/15/967849615.db2.gz LFQKLERIKMPPIV-JSGCOSHPSA-N -1 0 318.417 3.693 20 0 DHADRM CCC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccn1 ZINC000683619326 1013755160 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CC/C(=C/C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000769524835 969163996 /nfs/dbraw/zinc/16/39/96/969163996.db2.gz FZDIQGCSUGAUFT-JORMNFRLSA-N -1 0 315.413 3.502 20 0 DHADRM CC(C)c1ccccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000851600143 969273966 /nfs/dbraw/zinc/27/39/66/969273966.db2.gz CTYVZYUAJACYPK-GOSISDBHSA-N -1 0 323.392 3.634 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cn1 ZINC000331198799 1013866134 /nfs/dbraw/zinc/86/61/34/1013866134.db2.gz VNIXBNCYPHZVPI-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM CCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H](C)C(=O)[O-] ZINC000923253673 969647411 /nfs/dbraw/zinc/64/74/11/969647411.db2.gz NUTHUJFUHUANBE-NSHDSACASA-N -1 0 324.490 3.688 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001342720750 969755450 /nfs/dbraw/zinc/75/54/50/969755450.db2.gz PCJBCFXYAGHEOX-NJGYHNCTSA-N -1 0 315.413 3.583 20 0 DHADRM C[C@@H](Nc1nc(C2CCCC2)ns1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092326 1013992824 /nfs/dbraw/zinc/99/28/24/1013992824.db2.gz MPANXGJDRMLEAQ-ADEWGFFLSA-N -1 0 323.462 3.743 20 0 DHADRM CC(=O)Nc1ccc(Cl)cc1NCc1cccc(C(=O)[O-])c1 ZINC001609689648 970445821 /nfs/dbraw/zinc/44/58/21/970445821.db2.gz IFBBFIMATOHNSY-UHFFFAOYSA-N -1 0 318.760 3.609 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1csc2ccccc12 ZINC000320385496 970657310 /nfs/dbraw/zinc/65/73/10/970657310.db2.gz LQTJRTZIRUBBMD-UHFFFAOYSA-N -1 0 323.373 3.802 20 0 DHADRM CSc1ccc(C)c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001604965104 972554850 /nfs/dbraw/zinc/55/48/50/972554850.db2.gz TVEDWYXZQUFYTL-AWEZNQCLSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001604971795 972565487 /nfs/dbraw/zinc/56/54/87/972565487.db2.gz QNNGVQIYQYVDLV-MGPLVRAMSA-N -1 0 308.399 3.514 20 0 DHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001603315545 972624788 /nfs/dbraw/zinc/62/47/88/972624788.db2.gz FQKLRBKWBMGZRZ-INIZCTEOSA-N -1 0 309.365 3.537 20 0 DHADRM O=C(NC/C=C\c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000254935376 1014043569 /nfs/dbraw/zinc/04/35/69/1014043569.db2.gz AKOHYOUIMPKAHW-DAXSKMNVSA-N -1 0 310.378 3.560 20 0 DHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(Cl)cc1Cl ZINC001605053973 972672776 /nfs/dbraw/zinc/67/27/76/972672776.db2.gz QKCYPKJTASHSDV-CYVIZDSUSA-N -1 0 317.168 3.708 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396333102 972856447 /nfs/dbraw/zinc/85/64/47/972856447.db2.gz ADQDTNGQICWFLM-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM O=C([O-])C1(C(=O)OC2CCC(F)(F)CC2)CCCCCC1 ZINC001605944354 972901045 /nfs/dbraw/zinc/90/10/45/972901045.db2.gz QNNMNTDRJZIJFI-UHFFFAOYSA-N -1 0 304.333 3.533 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603371971 972901036 /nfs/dbraw/zinc/90/10/36/972901036.db2.gz JWKCKDMXXLCEFG-YVNFWLBFSA-N -1 0 319.401 3.664 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396658813 972931974 /nfs/dbraw/zinc/93/19/74/972931974.db2.gz XMCBEXFWVAWNEA-GFCCVEGCSA-N -1 0 300.358 3.509 20 0 DHADRM O=C([O-])C1(c2noc(-c3ccc(-c4ccco4)s3)n2)CCC1 ZINC001605962032 972935380 /nfs/dbraw/zinc/93/53/80/972935380.db2.gz WUDDTHRKNRTJLA-UHFFFAOYSA-N -1 0 316.338 3.564 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4c(cccc4F)s3)n2)CCC1 ZINC001605962030 972935516 /nfs/dbraw/zinc/93/55/16/972935516.db2.gz WPSBWZTVUIDUQW-UHFFFAOYSA-N -1 0 318.329 3.597 20 0 DHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001603382860 972974747 /nfs/dbraw/zinc/97/47/47/972974747.db2.gz MAZDEBSFBJVNEP-QTKMDUPCSA-N -1 0 319.426 3.556 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccnc3ccccc32)cc1 ZINC000325813839 1014076352 /nfs/dbraw/zinc/07/63/52/1014076352.db2.gz RSIXZNZGIIKJHN-YFHOEESVSA-N -1 0 318.332 3.585 20 0 DHADRM Cc1ccc2c(C(=O)Nc3ccc(C(=O)[O-])cn3)csc2c1 ZINC001605310054 973133857 /nfs/dbraw/zinc/13/38/57/973133857.db2.gz GGJQKRXDPZEPEJ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc21 ZINC001603426774 973159341 /nfs/dbraw/zinc/15/93/41/973159341.db2.gz LYFFTNGAYQXVLP-NNNHXZLVSA-N -1 0 311.337 3.531 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2cccc(C)c2Cl)C(=O)[O-])c1 ZINC001605328633 973185331 /nfs/dbraw/zinc/18/53/31/973185331.db2.gz PLIDXZOITVPSGK-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM COC(=O)c1ccncc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924800 1014088491 /nfs/dbraw/zinc/08/84/91/1014088491.db2.gz RTBSAWWZKSUUGS-UHFFFAOYSA-N -1 0 313.140 3.624 20 0 DHADRM O=C1NCCc2cc(Nc3cc(Cl)c([O-])c(Cl)c3)ccc21 ZINC001210929056 1014090422 /nfs/dbraw/zinc/09/04/22/1014090422.db2.gz RRKQOAYZMGRBCK-UHFFFAOYSA-N -1 0 323.179 3.729 20 0 DHADRM FC(F)(F)c1cc2ncc(Nc3cccc([S-])c3)cn2n1 ZINC001210945400 1014092960 /nfs/dbraw/zinc/09/29/60/1014092960.db2.gz PHJVAMGGLDJCTH-UHFFFAOYSA-N -1 0 310.304 3.780 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccccc1 ZINC001603450188 973248267 /nfs/dbraw/zinc/24/82/67/973248267.db2.gz BUEBOVRQOHYBJR-FZKQIMNGSA-N -1 0 324.380 3.539 20 0 DHADRM Cc1ccccc1-c1cc(NCc2cccc(C(=O)[O-])c2)n(C)n1 ZINC001605351514 973259679 /nfs/dbraw/zinc/25/96/79/973259679.db2.gz QYSGYSCXRYPLPF-UHFFFAOYSA-N -1 0 321.380 3.706 20 0 DHADRM O=C([O-])CCC(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001606097577 973270081 /nfs/dbraw/zinc/27/00/81/973270081.db2.gz DEFATCJIEDOQQZ-UHFFFAOYSA-N -1 0 311.381 3.517 20 0 DHADRM Cc1cc(N)c(Nc2ccccc2C(=O)[O-])cc1Br ZINC001210967587 1014098140 /nfs/dbraw/zinc/09/81/40/1014098140.db2.gz LFTBGKDUMAJGHJ-UHFFFAOYSA-N -1 0 321.174 3.782 20 0 DHADRM CC1(C)CC(=O)Nc2cc(Nc3ccccc3C(=O)[O-])ccc21 ZINC001210968076 1014098669 /nfs/dbraw/zinc/09/86/69/1014098669.db2.gz CTXKMRPLVKXBLL-UHFFFAOYSA-N -1 0 310.353 3.748 20 0 DHADRM O=C([O-])CCCCC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001606142037 973394289 /nfs/dbraw/zinc/39/42/89/973394289.db2.gz OEVOGTIFJKETDF-SJORKVTESA-N -1 0 317.429 3.722 20 0 DHADRM Cc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000683920665 1014108891 /nfs/dbraw/zinc/10/88/91/1014108891.db2.gz GDDXYGAAJNSAAL-MRXNPFEDSA-N -1 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CCN(C(=O)c1cccc(-c2cccc(C)c2)c1)[C@H](C)C(=O)[O-] ZINC001603714814 974129011 /nfs/dbraw/zinc/12/90/11/974129011.db2.gz ZBTJLCLULATNQR-CQSZACIVSA-N -1 0 311.381 3.597 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000539676593 974399401 /nfs/dbraw/zinc/39/94/01/974399401.db2.gz KPAIWZVCMIJBIT-AWEZNQCLSA-N -1 0 321.760 3.758 20 0 DHADRM CC[C@@H](OC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(C)c(F)c1 ZINC001603918779 974414852 /nfs/dbraw/zinc/41/48/52/974414852.db2.gz NHZTYBVQCUZXTN-CQSZACIVSA-N -1 0 306.333 3.549 20 0 DHADRM Cc1ccc([C@@H](CNC(=O)CC2CCCCCC2)C(=O)[O-])cc1 ZINC000557977816 974493238 /nfs/dbraw/zinc/49/32/38/974493238.db2.gz IPOPCDFEFMEEEC-QGZVFWFLSA-N -1 0 317.429 3.640 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1csc(-c2ccsc2)n1)C1CCC1 ZINC000564669342 974551803 /nfs/dbraw/zinc/55/18/03/974551803.db2.gz HLGOQPWTVYDXNZ-SNVBAGLBSA-N -1 0 322.455 3.699 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000565033283 974562594 /nfs/dbraw/zinc/56/25/94/974562594.db2.gz 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C[C@@H](CCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000621558368 975031427 /nfs/dbraw/zinc/03/14/27/975031427.db2.gz DBWVYHUDZHBAQC-AWEZNQCLSA-N -1 0 323.392 3.811 20 0 DHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCC1CCCCCC1)C2 ZINC000621558729 975031625 /nfs/dbraw/zinc/03/16/25/975031625.db2.gz POHAUERXGSZCOZ-UHFFFAOYSA-N -1 0 315.413 3.978 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1C(=O)CCCCCc1cccs1 ZINC000621568456 975035393 /nfs/dbraw/zinc/03/53/93/975035393.db2.gz WNUOJNMZGIIVEU-OAHLLOKOSA-N -1 0 323.458 3.707 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)oc1C(=O)[O-] ZINC000630113060 975107064 /nfs/dbraw/zinc/10/70/64/975107064.db2.gz OQOYKHQPLCNTJE-CQSZACIVSA-N -1 0 319.401 3.861 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000630135077 975119941 /nfs/dbraw/zinc/11/99/41/975119941.db2.gz JMUJDYUZNBCECN-HIFRSBDPSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H](C)c1ccco1 ZINC000630161986 975136767 /nfs/dbraw/zinc/13/67/67/975136767.db2.gz 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O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000630434933 975264379 /nfs/dbraw/zinc/26/43/79/975264379.db2.gz CMMQTERLJFPJBS-SJORKVTESA-N -1 0 324.380 3.788 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000630468089 975266437 /nfs/dbraw/zinc/26/64/37/975266437.db2.gz PPHFWGMYYYQYCD-LSDHHAIUSA-N -1 0 314.410 3.821 20 0 DHADRM COc1ccc(F)cc1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630468857 975267368 /nfs/dbraw/zinc/26/73/68/975267368.db2.gz VOVYAPKAEBFTGR-JKSUJKDBSA-N -1 0 315.344 3.635 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000634883640 975280388 /nfs/dbraw/zinc/28/03/88/975280388.db2.gz SBXPIJHKGHIJKE-QLFBSQMISA-N -1 0 307.434 3.591 20 0 DHADRM COCCCC[C@H](Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000647454448 975364948 /nfs/dbraw/zinc/36/49/48/975364948.db2.gz PYLDNXSJEUQHQP-INIZCTEOSA-N -1 0 314.385 3.750 20 0 DHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000649255999 975395135 /nfs/dbraw/zinc/39/51/35/975395135.db2.gz IYWGWUXZCUILDY-VGWMRTNUSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000180102989 1014267956 /nfs/dbraw/zinc/26/79/56/1014267956.db2.gz NGUDZNRHCKYCBN-IINYFYTJSA-N -1 0 321.323 3.877 20 0 DHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000653642091 975609519 /nfs/dbraw/zinc/60/95/19/975609519.db2.gz BMAKSGFMBQDTSB-LJQANCHMSA-N -1 0 323.392 3.585 20 0 DHADRM CC(C)OCc1cccc(-c2cc(C(=O)[O-])cn3ccnc23)c1 ZINC001591734327 975715250 /nfs/dbraw/zinc/71/52/50/975715250.db2.gz DWGBZDCTIRSBAD-UHFFFAOYSA-N -1 0 310.353 3.625 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(Cl)cc2ccccc21 ZINC000659127206 975727021 /nfs/dbraw/zinc/72/70/21/975727021.db2.gz OWTRDRCJPPPBOH-UHFFFAOYSA-N -1 0 319.788 3.819 20 0 DHADRM O=C([O-])c1csc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000659146858 975746738 /nfs/dbraw/zinc/74/67/38/975746738.db2.gz KKSOCBDMYCOJQT-RKDXNWHRSA-N -1 0 321.320 3.754 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC000659161175 975760385 /nfs/dbraw/zinc/76/03/85/975760385.db2.gz SLKOMDRANSEFJI-LJQANCHMSA-N -1 0 315.413 3.671 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000659161654 975760392 /nfs/dbraw/zinc/76/03/92/975760392.db2.gz ZPRLIQCXYZQPMF-GXTWGEPZSA-N -1 0 301.386 3.784 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2CCC3(CC3)CC2)c1 ZINC000659160856 975760575 /nfs/dbraw/zinc/76/05/75/975760575.db2.gz NEISNINKKJKELE-LBPRGKRZSA-N -1 0 301.386 3.784 20 0 DHADRM CC1(CC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCCCC1 ZINC000659162655 975761396 /nfs/dbraw/zinc/76/13/96/975761396.db2.gz CZPXGLGTLMSMIB-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1F ZINC000659178466 975774245 /nfs/dbraw/zinc/77/42/45/975774245.db2.gz CRBQPRKXNDZXBN-XJKCOSOUSA-N -1 0 321.392 3.530 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659190788 975786967 /nfs/dbraw/zinc/78/69/67/975786967.db2.gz JYGCYUBWRMXINO-JSRQGNBESA-N -1 0 321.461 3.695 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659190795 975787262 /nfs/dbraw/zinc/78/72/62/975787262.db2.gz JYGCYUBWRMXINO-XAJHFOFHSA-N -1 0 321.461 3.695 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C(C)C ZINC000659190994 975788297 /nfs/dbraw/zinc/78/82/97/975788297.db2.gz LDFGOVHVMCRRCP-VGWMRTNUSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)Oc1c(NCCCOC(C)(C)C)cccc1C(=O)[O-] ZINC001591752013 975810143 /nfs/dbraw/zinc/81/01/43/975810143.db2.gz LPURXMTVZSOJAI-UHFFFAOYSA-N -1 0 309.406 3.789 20 0 DHADRM CC(C)Oc1cc(F)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001591755135 975816028 /nfs/dbraw/zinc/81/60/28/975816028.db2.gz AVLISVGDPMNHGU-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CC(C)c1nc(CN(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000659789712 975875289 /nfs/dbraw/zinc/87/52/89/975875289.db2.gz IINNQUQAYGJKJE-UHFFFAOYSA-N -1 0 318.442 3.743 20 0 DHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1 ZINC000668283867 975985699 /nfs/dbraw/zinc/98/56/99/975985699.db2.gz ZCUOHKWKDJLMDL-KGLIPLIRSA-N -1 0 319.401 3.535 20 0 DHADRM CC(C)Oc1cccc(NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001591795972 976005650 /nfs/dbraw/zinc/00/56/50/976005650.db2.gz XQNNZIQORYJMME-UHFFFAOYSA-N -1 0 303.333 3.923 20 0 DHADRM O=C([O-])[C@@H](CC1CCCCC1)NCc1nc2c(s1)CCCC2 ZINC000669477984 976006733 /nfs/dbraw/zinc/00/67/33/976006733.db2.gz UMIYWWABYKCZIH-CQSZACIVSA-N -1 0 322.474 3.535 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)NCCCC(=O)[O-] ZINC000669505892 976008868 /nfs/dbraw/zinc/00/88/68/976008868.db2.gz PFGFJBJVLDCJKD-UHFFFAOYSA-N -1 0 312.797 3.624 20 0 DHADRM CC(C)Oc1ccccc1CN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001591801658 976018432 /nfs/dbraw/zinc/01/84/32/976018432.db2.gz UDAMHRGIUZAKCK-GFCCVEGCSA-N -1 0 303.358 3.616 20 0 DHADRM CC(C)Oc1ccccc1CNc1ncc(C(=O)[O-])cc1Cl ZINC001591804651 976029892 /nfs/dbraw/zinc/02/98/92/976029892.db2.gz OINNBTJDYMBSQA-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CC1CCCCCC1 ZINC000678974127 976032287 /nfs/dbraw/zinc/03/22/87/976032287.db2.gz TXPMICIDZMEVPJ-UHFFFAOYSA-N -1 0 317.429 3.850 20 0 DHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000681680514 976071257 /nfs/dbraw/zinc/07/12/57/976071257.db2.gz KYDIPERVCJWEDD-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N(CC(=O)[O-])c2cccc(F)c2)CC1 ZINC001591907541 976312635 /nfs/dbraw/zinc/31/26/35/976312635.db2.gz UGBGQKISCWTYBF-HDJSIYSDSA-N -1 0 321.392 3.706 20 0 DHADRM CC(C)c1[nH]c(CN(C)Cc2c(F)cccc2F)cc1C(=O)[O-] ZINC001591911472 976330445 /nfs/dbraw/zinc/33/04/45/976330445.db2.gz XCVXIZASYWPAJZ-UHFFFAOYSA-N -1 0 322.355 3.747 20 0 DHADRM CC(C)c1[nH]c(CN2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC001591912834 976352709 /nfs/dbraw/zinc/35/27/09/976352709.db2.gz SMRKAAZDYNMTBG-SNVBAGLBSA-N -1 0 318.339 3.611 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2csc(C3CC3)n2)C(=O)[O-])c1 ZINC000417559540 1014322364 /nfs/dbraw/zinc/32/23/64/1014322364.db2.gz IQCHJWIGXNNIRZ-OAHLLOKOSA-N -1 0 316.426 3.553 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001591934948 976448526 /nfs/dbraw/zinc/44/85/26/976448526.db2.gz OSONQEYGVSOUCW-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=S)NCCCC(=O)[O-] ZINC001591935010 976449599 /nfs/dbraw/zinc/44/95/99/976449599.db2.gz QSCATLRAICLBDG-UHFFFAOYSA-N -1 0 314.838 3.615 20 0 DHADRM CC(C)c1ccc(-c2noc([C@H]3CCCC[C@H]3C(=O)[O-])n2)cn1 ZINC001591943472 976479172 /nfs/dbraw/zinc/47/91/72/976479172.db2.gz KYMFCJAKXSZHFY-QWHCGFSZSA-N -1 0 315.373 3.613 20 0 DHADRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001591947261 976489557 /nfs/dbraw/zinc/48/95/57/976489557.db2.gz JHAMNOBSCVVNOH-CQSZACIVSA-N -1 0 304.367 3.854 20 0 DHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001591948861 976503485 /nfs/dbraw/zinc/50/34/85/976503485.db2.gz MIYZGJDGRKVEFR-GVDBMIGSSA-N -1 0 315.413 3.584 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001591995105 976639227 /nfs/dbraw/zinc/63/92/27/976639227.db2.gz SFGAGBSLSWPUGU-KBPBESRZSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001592003503 976661687 /nfs/dbraw/zinc/66/16/87/976661687.db2.gz SJWYDTNLDUZFSK-UHFFFAOYSA-N -1 0 309.268 3.632 20 0 DHADRM CC(C)c1nc(NC[C@@H](CC2CC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030288 976734943 /nfs/dbraw/zinc/73/49/43/976734943.db2.gz JFSCYNHPYKMEDF-CYBMUJFWSA-N -1 0 319.449 3.810 20 0 DHADRM CC(C)c1nn(C)c(Cl)c1CNc1ccc(C(=O)[O-])cc1 ZINC001592043669 976776096 /nfs/dbraw/zinc/77/60/96/976776096.db2.gz JAKZQZXPDMRHBT-UHFFFAOYSA-N -1 0 307.781 3.507 20 0 DHADRM CC(C)c1nnc(CSCc2ccc(C(=O)[O-])cc2)s1 ZINC001592061274 976814093 /nfs/dbraw/zinc/81/40/93/976814093.db2.gz NTWLBYYEPIEENR-UHFFFAOYSA-N -1 0 308.428 3.793 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001592117162 976918943 /nfs/dbraw/zinc/91/89/43/976918943.db2.gz NDFNMMLLAYRMHP-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)n1cncc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001592145903 977007299 /nfs/dbraw/zinc/00/72/99/977007299.db2.gz ZAKAEDRAKZAZCM-UHFFFAOYSA-N -1 0 315.398 3.989 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592181355 977102955 /nfs/dbraw/zinc/10/29/55/977102955.db2.gz KURXAMMMMZMTMJ-CQSZACIVSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@@H](C1CC1)n1nccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001592181824 977112656 /nfs/dbraw/zinc/11/26/56/977112656.db2.gz SBVHQCJIXQSAIU-JTQLQIEISA-N -1 0 319.792 3.818 20 0 DHADRM C[C@@H](C1CC1)n1cc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC001592181975 977114568 /nfs/dbraw/zinc/11/45/68/977114568.db2.gz UOCQFDFIBFZIHD-BONVTDFDSA-N -1 0 319.792 3.745 20 0 DHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC001592246550 977475778 /nfs/dbraw/zinc/47/57/78/977475778.db2.gz UWMHMVLJSPDGSW-SIIHOXLZSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C1CCCCC1 ZINC001592255134 977494182 /nfs/dbraw/zinc/49/41/82/977494182.db2.gz YXFYZSUPXISZMV-YOEHRIQHSA-N -1 0 323.477 3.990 20 0 DHADRM CCCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](CC)C(=O)[O-] ZINC000580870647 1014412435 /nfs/dbraw/zinc/41/24/35/1014412435.db2.gz UTABUPHSEYFJKT-LBPRGKRZSA-N -1 0 316.760 3.586 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)NC(C1CCCCC1)C1CCCCC1 ZINC001592344420 977799358 /nfs/dbraw/zinc/79/93/58/977799358.db2.gz CPJWSLIPJZCDFM-ZDUSSCGKSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001592370451 977884708 /nfs/dbraw/zinc/88/47/08/977884708.db2.gz JMFLNTGKXJOIJY-ZFWWWQNUSA-N -1 0 317.429 3.739 20 0 DHADRM O=C(CCC1CCCCC1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057752901 1014438210 /nfs/dbraw/zinc/43/82/10/1014438210.db2.gz FEKKZFCQDMCOBX-UHFFFAOYSA-N -1 0 315.373 3.741 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001592381215 977918250 /nfs/dbraw/zinc/91/82/50/977918250.db2.gz DCLBGKBPBYSPSD-WMLDXEAASA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001592381797 977921421 /nfs/dbraw/zinc/92/14/21/977921421.db2.gz PWIVBBWMELMBMJ-YQFWSFKMSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)cc(Cl)c1 ZINC001592400194 977961975 /nfs/dbraw/zinc/96/19/75/977961975.db2.gz AVTUBBUQUUMUIA-QMMMGPOBSA-N -1 0 305.157 3.538 20 0 DHADRM C[C@@H](CC(=O)[O-])SCCCCCCNC(=O)OC(C)(C)C ZINC001592422360 978035794 /nfs/dbraw/zinc/03/57/94/978035794.db2.gz MSACOEZVJUKIIB-LBPRGKRZSA-N -1 0 319.467 3.668 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1cccc(F)c1 ZINC001592423212 978039519 /nfs/dbraw/zinc/03/95/19/978039519.db2.gz BLQFULGULRAKEC-ZUZCIYMTSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(SC(C)(C)C)nc2)no1 ZINC001592424679 978047255 /nfs/dbraw/zinc/04/72/55/978047255.db2.gz VTHBOQDJXVQWTF-VIFPVBQESA-N -1 0 321.402 3.600 20 0 DHADRM C[C@H](CC(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC001592430268 978061954 /nfs/dbraw/zinc/06/19/54/978061954.db2.gz XEIBABNPLJYNCL-ZLDLUXBVSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)C(F)(F)F ZINC001592433078 978064638 /nfs/dbraw/zinc/06/46/38/978064638.db2.gz BNDOAYVFBGQSHU-ZETCQYMHSA-N -1 0 324.682 3.670 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592433426 978067057 /nfs/dbraw/zinc/06/70/57/978067057.db2.gz JWQNPVXCKACYNK-NSHDSACASA-N -1 0 302.301 3.623 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](c1nccs1)C(F)(F)F ZINC001592443712 978098255 /nfs/dbraw/zinc/09/82/55/978098255.db2.gz CQCNIYDNCQTINS-SCZZXKLOSA-N -1 0 324.368 3.616 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccn(-c2ccccc2)n1 ZINC001592444928 978106677 /nfs/dbraw/zinc/10/66/77/978106677.db2.gz GLNUMKSSSYRARO-ZDUSSCGKSA-N -1 0 301.390 3.564 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1c[nH]nc1-c1ccccc1 ZINC001592445430 978112484 /nfs/dbraw/zinc/11/24/84/978112484.db2.gz MQZXZYSCXZRLHZ-GFCCVEGCSA-N -1 0 301.390 3.768 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001592465223 978204803 /nfs/dbraw/zinc/20/48/03/978204803.db2.gz AUXSSRAUBMNBMQ-JTQLQIEISA-N -1 0 324.446 3.660 20 0 DHADRM C[C@H](CCC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001592469991 978216089 /nfs/dbraw/zinc/21/60/89/978216089.db2.gz DKJUIMWNZKYOHE-GFCCVEGCSA-N -1 0 313.353 3.613 20 0 DHADRM CCC[C@H](C(=O)[O-])[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000580936901 1014467333 /nfs/dbraw/zinc/46/73/33/1014467333.db2.gz YCPRIBXELYGVML-ZHRRBRCNSA-N -1 0 316.422 3.778 20 0 DHADRM C[C@@H](CCC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001592470176 978218695 /nfs/dbraw/zinc/21/86/95/978218695.db2.gz FDSRRIMVNVOHBG-WMLDXEAASA-N -1 0 317.429 3.720 20 0 DHADRM Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)c2ccc(F)c(F)c2n1 ZINC000580940988 1014469272 /nfs/dbraw/zinc/46/92/72/1014469272.db2.gz GZKHEPJHYPLFGF-LLVKDONJSA-N -1 0 320.339 3.513 20 0 DHADRM CC(C)(C)Oc1ccc(CNC(=O)c2cccc(F)c2[O-])cc1 ZINC001125480011 1014473603 /nfs/dbraw/zinc/47/36/03/1014473603.db2.gz WQRXOIUPVANRJX-UHFFFAOYSA-N -1 0 317.360 3.639 20 0 DHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736636629 978346475 /nfs/dbraw/zinc/34/64/75/978346475.db2.gz MMZBVXOKQZZEPI-ZDUSSCGKSA-N -1 0 320.433 3.551 20 0 DHADRM C[C@@H](CN(C(=O)CC1CCC(C(C)(C)C)CC1)C1CC1)C(=O)[O-] ZINC001592557806 978448170 /nfs/dbraw/zinc/44/81/70/978448170.db2.gz RBNZBMQVQFFJSG-NFOMZHRRSA-N -1 0 323.477 3.941 20 0 DHADRM C[C@@H](CN(C(=O)C=C1CCC(C(C)(C)C)CC1)C1CC1)C(=O)[O-] ZINC001592557854 978448740 /nfs/dbraw/zinc/44/87/40/978448740.db2.gz UIEPDPPHXOPGQV-CFMCSPIPSA-N -1 0 321.461 3.861 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccccc1C(=O)[O-])C1CCCCC1 ZINC001592579362 978488210 /nfs/dbraw/zinc/48/82/10/978488210.db2.gz DMJFONCTPZVUOQ-ZDUSSCGKSA-N -1 0 303.402 3.673 20 0 DHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738552425 978555048 /nfs/dbraw/zinc/55/50/48/978555048.db2.gz RXUORFQQVORUKS-CYBMUJFWSA-N -1 0 312.369 3.618 20 0 DHADRM Cc1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC000738627107 978576540 /nfs/dbraw/zinc/57/65/40/978576540.db2.gz CSIWZGKZUMVDHK-UHFFFAOYSA-N -1 0 318.373 3.950 20 0 DHADRM CCCC[C@H](NC(=O)/C=C(\C)c1cccc(Cl)c1)C(=O)[O-] ZINC000753907741 978694767 /nfs/dbraw/zinc/69/47/67/978694767.db2.gz ZHWZZKWCNWVJIY-MARXPDLDSA-N -1 0 309.793 3.503 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000761647078 978713086 /nfs/dbraw/zinc/71/30/86/978713086.db2.gz ATQAJCNTLQFKPB-QIMFLAQGSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC[C@H](NC(=O)/C(C)=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000761997993 978717585 /nfs/dbraw/zinc/71/75/85/978717585.db2.gz FEODVYKAEKWUIM-FPAJZGIOSA-N -1 0 309.793 3.503 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)C1CC1 ZINC000766940636 978730168 /nfs/dbraw/zinc/73/01/68/978730168.db2.gz BNLQZNBAOLCERZ-LLVKDONJSA-N -1 0 305.374 3.547 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767096547 978734904 /nfs/dbraw/zinc/73/49/04/978734904.db2.gz ZFKFLFBZVJXXCQ-UHFFFAOYSA-N -1 0 307.346 3.961 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000774043389 978745378 /nfs/dbraw/zinc/74/53/78/978745378.db2.gz GDMNKTSGUFGGGP-GOSISDBHSA-N -1 0 315.344 3.579 20 0 DHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000788088172 978796433 /nfs/dbraw/zinc/79/64/33/978796433.db2.gz GRZLXGMFCNOCDF-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM CC(C)(C)CC(C)(C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811812143 978855816 /nfs/dbraw/zinc/85/58/16/978855816.db2.gz NJSAGWZAZSMENR-UHFFFAOYSA-N -1 0 311.809 3.983 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000811812423 978855924 /nfs/dbraw/zinc/85/59/24/978855924.db2.gz RCKHUJHHLIYPPB-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM Cc1ccc(F)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811812710 978856565 /nfs/dbraw/zinc/85/65/65/978856565.db2.gz XPHIURSLVJRQRR-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000811812618 978856592 /nfs/dbraw/zinc/85/65/92/978856592.db2.gz UHSKBUYSJIBGGJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/97/72/49/978977249.db2.gz UDODGBUWKOICLN-GTNSWQLSSA-N -1 0 321.804 3.691 20 0 DHADRM CC[C@H](OC(=O)CCSCC(=O)[O-])c1cccc(Cl)c1 ZINC000829005339 978991557 /nfs/dbraw/zinc/99/15/57/978991557.db2.gz ZKQUGEXKQWLBCD-LBPRGKRZSA-N -1 0 316.806 3.542 20 0 DHADRM CC[C@H](C)n1nc(N[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001595023680 979118209 /nfs/dbraw/zinc/11/82/09/979118209.db2.gz KWMJITOUZOCTQL-BONVTDFDSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@H](C)n1nc(NCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001595023900 979120559 /nfs/dbraw/zinc/12/05/59/979120559.db2.gz MUCBWJKDPOESKT-JTQLQIEISA-N -1 0 305.353 3.612 20 0 DHADRM CC[C@@H](C)n1ncc(Nc2ncc(C(=O)[O-])cc2Cl)c1C ZINC001595028869 979154183 /nfs/dbraw/zinc/15/41/83/979154183.db2.gz RBDUBQXZDDBCQL-MRVPVSSYSA-N -1 0 308.769 3.653 20 0 DHADRM COc1ccc([C@@H](C)N=c2nc(C(C)C)[n-]s2)c(C)c1OC ZINC000581094045 1014553668 /nfs/dbraw/zinc/55/36/68/1014553668.db2.gz AAOABDCESUVSHW-LLVKDONJSA-N -1 0 321.446 3.582 20 0 DHADRM CC[C@@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])C(C)(C)C ZINC001595029730 979160462 /nfs/dbraw/zinc/16/04/62/979160462.db2.gz FGLNACCEJDEEFF-INIZCTEOSA-N -1 0 319.445 3.605 20 0 DHADRM CC[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001595033057 979172115 /nfs/dbraw/zinc/17/21/15/979172115.db2.gz BMMHRPSNSQEUEM-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM CC[C@@H](CC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595036414 979194938 /nfs/dbraw/zinc/19/49/38/979194938.db2.gz DTAFYHDXCAZDGR-ZDUSSCGKSA-N -1 0 312.369 3.611 20 0 DHADRM CC[C@@H](CC(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC)C(C)C ZINC001595037014 979202014 /nfs/dbraw/zinc/20/20/14/979202014.db2.gz NEXZJXWJPWOICJ-KGXGESDWSA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595039251 979213841 /nfs/dbraw/zinc/21/38/41/979213841.db2.gz PGGCDKWKIHMHCF-YVNMAJEFSA-N -1 0 310.312 3.542 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1scnc1C1CCCC1 ZINC000836717045 979248822 /nfs/dbraw/zinc/24/88/22/979248822.db2.gz 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/nfs/dbraw/zinc/50/80/49/979508049.db2.gz OJNCKUZHDPDILG-SOFGYWHQSA-N -1 0 317.385 3.564 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595125890 979512112 /nfs/dbraw/zinc/51/21/12/979512112.db2.gz NLOFLPSZUGEGNU-CYBMUJFWSA-N -1 0 321.392 3.998 20 0 DHADRM CC1(C)C[C@@]1(C(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC000851598191 979515835 /nfs/dbraw/zinc/51/58/35/979515835.db2.gz NKHAHSOWKIKLBB-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000851599108 979516910 /nfs/dbraw/zinc/51/69/10/979516910.db2.gz KQLVCRCXONFNOD-UHFFFAOYSA-N -1 0 323.698 3.955 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001595126694 979520721 /nfs/dbraw/zinc/52/07/21/979520721.db2.gz YYDDIWXJHUMZDM-KBXCAEBGSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](CSCc1ccc(Cl)nc1C(F)(F)F)C(=O)[O-] ZINC001592825354 979542347 /nfs/dbraw/zinc/54/23/47/979542347.db2.gz FQZCHIBOOFUJCE-LURJTMIESA-N -1 0 313.728 3.708 20 0 DHADRM CC[C@@](CNC(=O)/C(C)=C/C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135302 979573888 /nfs/dbraw/zinc/57/38/88/979573888.db2.gz OFMKTXFQIZOCLL-XUDAUXSOSA-N -1 0 317.429 3.528 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000856993985 979621596 /nfs/dbraw/zinc/62/15/96/979621596.db2.gz ROYOZCQKKRLVNL-WDEREUQCSA-N -1 0 312.435 3.625 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001592858096 979668534 /nfs/dbraw/zinc/66/85/34/979668534.db2.gz OGZQJFNYECETDM-HLPPOEQASA-N -1 0 317.429 3.961 20 0 DHADRM CCOCCCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000864099534 979682705 /nfs/dbraw/zinc/68/27/05/979682705.db2.gz CGVSPJHZWICEPX-UHFFFAOYSA-N -1 0 313.781 3.574 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000864104472 979690901 /nfs/dbraw/zinc/69/09/01/979690901.db2.gz LDUKTEITVFXAAL-JLJPHGGASA-N -1 0 315.413 3.734 20 0 DHADRM Cc1ccc(C(=O)N(C)CCC2CCCCC2)cc1C(=O)[O-] ZINC000864108305 979697143 /nfs/dbraw/zinc/69/71/43/979697143.db2.gz UAWRGBANGFOIMW-UHFFFAOYSA-N -1 0 303.402 3.736 20 0 DHADRM CCC[C@H](C(=O)NC(C)(C)CC(=O)[O-])c1cccc(Cl)c1 ZINC000864118278 979712633 /nfs/dbraw/zinc/71/26/33/979712633.db2.gz WLYHRRJRMNULCD-ZDUSSCGKSA-N -1 0 311.809 3.593 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)cc1C(=O)[O-] ZINC000864127803 979728335 /nfs/dbraw/zinc/72/83/35/979728335.db2.gz HUXMROCZEJYXMC-CYBMUJFWSA-N -1 0 309.365 3.847 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C)c3ccccc32)cc1C(=O)[O-] ZINC000864127804 979728398 /nfs/dbraw/zinc/72/83/98/979728398.db2.gz HUXMROCZEJYXMC-ZDUSSCGKSA-N -1 0 309.365 3.847 20 0 DHADRM C[C@H](Cc1ccc(NCCCC2CCOCC2)cc1)C(=O)[O-] ZINC001592877362 979744100 /nfs/dbraw/zinc/74/41/00/979744100.db2.gz KNPHZNGIVZOKKI-CQSZACIVSA-N -1 0 305.418 3.569 20 0 DHADRM C[C@@H](Cc1ccc(NC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1)C(=O)[O-] ZINC001592878166 979748603 /nfs/dbraw/zinc/74/86/03/979748603.db2.gz VYIHFFKZCGARIR-FATJJJSSSA-N -1 0 309.356 3.653 20 0 DHADRM C[C@@H](Cc1ccc(Nc2nc3c(cccc3F)o2)cc1)C(=O)[O-] ZINC001592883079 979756681 /nfs/dbraw/zinc/75/66/81/979756681.db2.gz KKVHDNRXTQXOFA-JTQLQIEISA-N -1 0 314.316 3.974 20 0 DHADRM CC[C@H](CNc1nc(C)nc2scc(CC(C)C)c21)C(=O)[O-] ZINC001595175646 979760697 /nfs/dbraw/zinc/76/06/97/979760697.db2.gz BWOQJFDIORAWIM-LLVKDONJSA-N -1 0 321.446 3.721 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCCC23CCCCC3)c1 ZINC000864178211 979823471 /nfs/dbraw/zinc/82/34/71/979823471.db2.gz ZHSGFEKOLVPTFS-UHFFFAOYSA-N -1 0 321.804 3.977 20 0 DHADRM CCCOc1ccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC000864179640 979827047 /nfs/dbraw/zinc/82/70/47/979827047.db2.gz ZPKIIYJTSULAAE-UHFFFAOYSA-N -1 0 317.341 3.636 20 0 DHADRM CC[C@@H](COC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001595187447 979843815 /nfs/dbraw/zinc/84/38/15/979843815.db2.gz MHAKOHNWDOFJKR-QMMMGPOBSA-N -1 0 312.774 3.822 20 0 DHADRM C[C@H](Cc1ccsc1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001592907397 979855303 /nfs/dbraw/zinc/85/53/03/979855303.db2.gz YTKYEKHHALKDQJ-SSDOTTSWSA-N -1 0 316.835 3.624 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC000864196456 979861075 /nfs/dbraw/zinc/86/10/75/979861075.db2.gz OFQDMRGYZSCMPY-OAHLLOKOSA-N -1 0 315.413 3.736 20 0 DHADRM CC(Cl)(Cl)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592912155 979877228 /nfs/dbraw/zinc/87/72/28/979877228.db2.gz DONUIYHYFLFFIR-UHFFFAOYSA-N -1 0 318.181 3.732 20 0 DHADRM CC(C)OCCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225720 979910869 /nfs/dbraw/zinc/91/08/69/979910869.db2.gz YQMTXWRGQWWTFZ-UHFFFAOYSA-N -1 0 315.369 3.682 20 0 DHADRM CC(C)COCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225893 979910938 /nfs/dbraw/zinc/91/09/38/979910938.db2.gz LYZFZEYYJUETSA-UHFFFAOYSA-N -1 0 315.369 3.539 20 0 DHADRM CCCC[C@](C)(F)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226424 979912774 /nfs/dbraw/zinc/91/27/74/979912774.db2.gz DVFGAYBEXZTBIF-SJCJKPOMSA-N -1 0 307.365 3.510 20 0 DHADRM Cc1cc(C)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000864228870 979921330 /nfs/dbraw/zinc/92/13/30/979921330.db2.gz RLKUVLKKECUKDB-LBPRGKRZSA-N -1 0 315.394 3.584 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)c1 ZINC000864232983 979931068 /nfs/dbraw/zinc/93/10/68/979931068.db2.gz SWQWOVBRSJROFQ-SFHVURJKSA-N -1 0 323.392 3.818 20 0 DHADRM CC[C@@H](COc1cc(/C=C\C(=O)[O-])ccc1OC)CC(F)F ZINC001595199088 979934817 /nfs/dbraw/zinc/93/48/17/979934817.db2.gz XRWZFQGRRIBHJZ-JPVGGKMYSA-N -1 0 314.328 3.853 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001595210112 979983331 /nfs/dbraw/zinc/98/33/31/979983331.db2.gz CDPWJHITKMZSIU-OAHLLOKOSA-N -1 0 311.381 3.901 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595210378 979984164 /nfs/dbraw/zinc/98/41/64/979984164.db2.gz FEYVBTLBOHPFJF-CQSZACIVSA-N -1 0 314.385 3.537 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595210703 979985079 /nfs/dbraw/zinc/98/50/79/979985079.db2.gz JMYOJUHINONCCL-HNNXBMFYSA-N -1 0 312.365 3.868 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595211106 979988261 /nfs/dbraw/zinc/98/82/61/979988261.db2.gz OZWCPSSFYKDHGK-OAHLLOKOSA-N -1 0 311.381 3.901 20 0 DHADRM CC(F)(F)CCC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592938991 980003498 /nfs/dbraw/zinc/00/34/98/980003498.db2.gz KLJYEBNIRGLCBP-UHFFFAOYSA-N -1 0 306.692 3.517 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592945298 980026202 /nfs/dbraw/zinc/02/62/02/980026202.db2.gz XJVQKGHFFHOOEY-SREVYHEPSA-N -1 0 321.279 3.741 20 0 DHADRM CC[C@@H](Cc1ccccc1C)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001595218534 980033249 /nfs/dbraw/zinc/03/32/49/980033249.db2.gz JIYHQKXBIISLNT-AWEZNQCLSA-N -1 0 312.365 3.868 20 0 DHADRM CC(C)c1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1O ZINC000887317707 980215032 /nfs/dbraw/zinc/21/50/32/980215032.db2.gz PSBOBARQGQZBLC-UHFFFAOYSA-N -1 0 319.401 3.879 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@H]1CC1(C)C ZINC001595256761 980240060 /nfs/dbraw/zinc/24/00/60/980240060.db2.gz HLCLDAFMPVXKLT-ZIAGYGMSSA-N -1 0 304.390 3.639 20 0 DHADRM O=C([O-])CC1CCC(Nc2ccc(-c3cnco3)cc2)CC1 ZINC000901415033 980260821 /nfs/dbraw/zinc/26/08/21/980260821.db2.gz AFRKDLOSMUPMBK-UHFFFAOYSA-N -1 0 300.358 3.787 20 0 DHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1cc(C)ccc1C ZINC001595262943 980265277 /nfs/dbraw/zinc/26/52/77/980265277.db2.gz AHCWFJDUELZAJN-HNNXBMFYSA-N -1 0 315.369 3.784 20 0 DHADRM CC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1csc(C)c1 ZINC001595269009 980282301 /nfs/dbraw/zinc/28/23/01/980282301.db2.gz DUZFQYXCTJSNCA-IYNGYCSASA-N -1 0 319.382 3.628 20 0 DHADRM CC[C@@](NC(=O)c1ccsc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595272388 980293316 /nfs/dbraw/zinc/29/33/16/980293316.db2.gz WIRZRRBNNCISQI-HNNXBMFYSA-N -1 0 323.801 3.521 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC000901480520 980309024 /nfs/dbraw/zinc/30/90/24/980309024.db2.gz LELMZWGBTHREQJ-UHFFFAOYSA-N -1 0 303.280 3.692 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(N[C@H]2CCc3cccnc3CC2)cc1 ZINC000901512231 980328509 /nfs/dbraw/zinc/32/85/09/980328509.db2.gz FUMJSVALWGSDLD-INIZCTEOSA-N -1 0 324.424 3.803 20 0 DHADRM O=C([O-])[C@@H](NCc1cc(C2CC2)no1)c1ccc2ccccc2c1 ZINC000901516644 980334366 /nfs/dbraw/zinc/33/43/66/980334366.db2.gz QFULJLULRBXZHT-SFHVURJKSA-N -1 0 322.364 3.621 20 0 DHADRM C[C@H](CCOCc1ccccc1)Nc1cccc(CC(=O)[O-])c1 ZINC000901663178 980433017 /nfs/dbraw/zinc/43/30/17/980433017.db2.gz SQDRKWNUVIIJKM-OAHLLOKOSA-N -1 0 313.397 3.721 20 0 DHADRM CSc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)o1 ZINC000901735912 980471329 /nfs/dbraw/zinc/47/13/29/980471329.db2.gz TYRXSCPIEGJMDA-NSHDSACASA-N -1 0 305.399 3.877 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@H]2CCOc3ccccc32)c1 ZINC000901818524 980538418 /nfs/dbraw/zinc/53/84/18/980538418.db2.gz XXSVLWMFOPPLJS-DZGCQCFKSA-N -1 0 311.381 3.853 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1 ZINC000902089335 980728580 /nfs/dbraw/zinc/72/85/80/980728580.db2.gz VFWLDFDJYURYNH-GFCCVEGCSA-N -1 0 318.417 3.727 20 0 DHADRM CC[C@@H](SC)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001595358689 980734406 /nfs/dbraw/zinc/73/44/06/980734406.db2.gz PUFDKWHSDIMDBF-SNVBAGLBSA-N -1 0 322.213 3.772 20 0 DHADRM CC[C@@H](SCc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595358943 980737032 /nfs/dbraw/zinc/73/70/32/980737032.db2.gz VMBCTUUROBVVON-CYBMUJFWSA-N -1 0 310.415 3.738 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000902294397 980821146 /nfs/dbraw/zinc/82/11/46/980821146.db2.gz FHYBZRPAOJAROZ-CJNGLKHVSA-N -1 0 321.417 3.546 20 0 DHADRM CCC(CC)c1cc(CNCc2csc(C(=O)[O-])c2)on1 ZINC000902315912 980830084 /nfs/dbraw/zinc/83/00/84/980830084.db2.gz OFEARCAAULYAQI-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM COc1cc(SC)ccc1NCc1cc(C(=O)[O-])oc1C ZINC000902420776 980879148 /nfs/dbraw/zinc/87/91/48/980879148.db2.gz RXKNLWFOAVGDDY-UHFFFAOYSA-N -1 0 307.371 3.629 20 0 DHADRM CCC1(CC)[C@H](Nc2cc(COC)cc(C(=O)[O-])c2)C[C@H]1OC ZINC001595374448 980883727 /nfs/dbraw/zinc/88/37/27/980883727.db2.gz YVIUCFGMDBCISE-HZPDHXFCSA-N -1 0 321.417 3.537 20 0 DHADRM C[C@H](Nc1cccc(Cl)c1OCC(F)F)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902436280 980885287 /nfs/dbraw/zinc/88/52/87/980885287.db2.gz PTEMCYMKGRYHFT-XHNCKOQMSA-N -1 0 319.735 3.505 20 0 DHADRM CCC1(CC)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595374875 980888682 /nfs/dbraw/zinc/88/86/82/980888682.db2.gz AAKFSWXZCVLUPT-UHFFFAOYSA-N -1 0 320.389 3.580 20 0 DHADRM CC1(C)C[C@H](NCc2ccc(C(=O)[O-])o2)c2cc(F)ccc2O1 ZINC000902471178 980902113 /nfs/dbraw/zinc/90/21/13/980902113.db2.gz ZEXIAKURMJOYMT-ZDUSSCGKSA-N -1 0 319.332 3.509 20 0 DHADRM CCC1(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC001595378928 980916129 /nfs/dbraw/zinc/91/61/29/980916129.db2.gz QBWHYQHRFDRWHO-UHFFFAOYSA-N -1 0 307.365 3.614 20 0 DHADRM CC(C)n1cncc1CN[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000902566758 980936015 /nfs/dbraw/zinc/93/60/15/980936015.db2.gz WHRLOVIVZWRWSD-SFHVURJKSA-N -1 0 323.396 3.533 20 0 DHADRM CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1cc(F)ccc1OC ZINC000902571579 980938779 /nfs/dbraw/zinc/93/87/79/980938779.db2.gz APXNGBDWTVFWJP-OAHLLOKOSA-N -1 0 321.348 3.675 20 0 DHADRM CCC1(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCC1 ZINC001595390273 980946152 /nfs/dbraw/zinc/94/61/52/980946152.db2.gz AKFGWZZJVABBIH-UHFFFAOYSA-N -1 0 312.369 3.992 20 0 DHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595404538 980982300 /nfs/dbraw/zinc/98/23/00/980982300.db2.gz IQVSONIYXIKLKN-KCJUWKMLSA-N -1 0 310.419 3.715 20 0 DHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595404982 980984336 /nfs/dbraw/zinc/98/43/36/980984336.db2.gz NSLJBYQTCGBKSI-BMIGLBTASA-N -1 0 315.373 3.518 20 0 DHADRM CC[C@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595415783 981029778 /nfs/dbraw/zinc/02/97/78/981029778.db2.gz KJXFSPMIZIHKFT-BDAKNGLRSA-N -1 0 302.296 3.566 20 0 DHADRM CCC1CCC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])CC1 ZINC001595420324 981034590 /nfs/dbraw/zinc/03/45/90/981034590.db2.gz DBWRINKRWIZOFG-WVGCRTDUSA-N -1 0 311.466 3.845 20 0 DHADRM CC[C@H](CC(=O)NC1(C(=O)[O-])CCC(CC)CC1)C(C)(C)C ZINC001595420832 981038987 /nfs/dbraw/zinc/03/89/87/981038987.db2.gz LHFPNFPHICQAGS-TXKKKEFDSA-N -1 0 311.466 3.989 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001595434731 981060125 /nfs/dbraw/zinc/06/01/25/981060125.db2.gz BXTCBYXPWGFRNG-DLBZAZTESA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595435258 981063678 /nfs/dbraw/zinc/06/36/78/981063678.db2.gz ISMAEJZALGBPHW-QFYYESIMSA-N -1 0 324.446 3.660 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001595435485 981064955 /nfs/dbraw/zinc/06/49/55/981064955.db2.gz KBTDOOMGALGAGA-FVQBIDKESA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435518 981065127 /nfs/dbraw/zinc/06/51/27/981065127.db2.gz KTTALOWAJIROPG-HZPDHXFCSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595435732 981066063 /nfs/dbraw/zinc/06/60/63/981066063.db2.gz MBILROUCWNRDJN-PWSUYJOCSA-N -1 0 300.358 3.631 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCC[C@H]1CC)c1ccccc1 ZINC001595436156 981068174 /nfs/dbraw/zinc/06/81/74/981068174.db2.gz PIMFSLQHAAQVSB-BMFZPTHFSA-N -1 0 303.402 3.709 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595436922 981072560 /nfs/dbraw/zinc/07/25/60/981072560.db2.gz YNIUPJFDRDTBMU-PIGZYNQJSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595440165 981075971 /nfs/dbraw/zinc/07/59/71/981075971.db2.gz HOJHKCUUBZAQEQ-UKRRQHHQSA-N -1 0 303.402 3.639 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595440815 981077710 /nfs/dbraw/zinc/07/77/10/981077710.db2.gz LKOQSBSVYVEARB-KOLCDFICSA-N -1 0 310.781 3.588 20 0 DHADRM Cc1coc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000904000494 981079851 /nfs/dbraw/zinc/07/98/51/981079851.db2.gz ULLDXNGFBCJBLV-ZDUSSCGKSA-N -1 0 313.275 3.522 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001595443863 981083731 /nfs/dbraw/zinc/08/37/31/981083731.db2.gz CYCAEPHAEWXBMM-NHYWBVRUSA-N -1 0 322.380 3.956 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595445154 981091944 /nfs/dbraw/zinc/09/19/44/981091944.db2.gz WTQOMOKEFZFUKY-GJZGRUSLSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595448883 981101212 /nfs/dbraw/zinc/10/12/12/981101212.db2.gz WCFUHLUGJBSVDP-AWEZNQCLSA-N -1 0 322.380 3.639 20 0 DHADRM Cc1ccc([C@H](NCc2cc(C(C)(C)C)on2)C(=O)[O-])cc1C ZINC000905380893 981102658 /nfs/dbraw/zinc/10/26/58/981102658.db2.gz NBUAXSFVRVOTQO-INIZCTEOSA-N -1 0 316.401 3.504 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001595451213 981106738 /nfs/dbraw/zinc/10/67/38/981106738.db2.gz KSVMNISZHCEKDY-GXTWGEPZSA-N -1 0 321.442 3.657 20 0 DHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595456395 981126172 /nfs/dbraw/zinc/12/61/72/981126172.db2.gz PUNMDKBQWOKIOK-IINYFYTJSA-N -1 0 315.373 3.566 20 0 DHADRM CC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595458147 981130757 /nfs/dbraw/zinc/13/07/57/981130757.db2.gz BAUFVIQHABLSPD-GFCCVEGCSA-N -1 0 312.369 3.944 20 0 DHADRM CC[C@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@H]1C ZINC001595460475 981144473 /nfs/dbraw/zinc/14/44/73/981144473.db2.gz YASHTSXENDFXOX-UWVGGRQHSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@@H]1C ZINC001595460497 981145224 /nfs/dbraw/zinc/14/52/24/981145224.db2.gz YASHTSXENDFXOX-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@H]1C ZINC001595460496 981145266 /nfs/dbraw/zinc/14/52/66/981145266.db2.gz YASHTSXENDFXOX-VHSXEESVSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1Cc1nc(C(=O)[O-])cs1 ZINC001595468225 981160455 /nfs/dbraw/zinc/16/04/55/981160455.db2.gz QEVPWKAAGLAZQS-GFCCVEGCSA-N -1 0 302.399 3.573 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)c2cccc(Cl)c2O1 ZINC001595486548 981228961 /nfs/dbraw/zinc/22/89/61/981228961.db2.gz FDSPZJSJMHVYSW-LLVKDONJSA-N -1 0 320.776 3.544 20 0 DHADRM CSCCCCCCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC000907985758 981251835 /nfs/dbraw/zinc/25/18/35/981251835.db2.gz WIKMDTGPQFVHMO-UHFFFAOYSA-N -1 0 321.442 3.587 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cccc(-c2ccoc2)c1 ZINC000908028572 981254224 /nfs/dbraw/zinc/25/42/24/981254224.db2.gz PJRSEVYIHSZQIK-HNNXBMFYSA-N -1 0 315.369 3.566 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595504224 981277569 /nfs/dbraw/zinc/27/75/69/981277569.db2.gz HQEAIIHQHGXFDQ-KRWDZBQOSA-N -1 0 324.380 3.813 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000908179909 981280686 /nfs/dbraw/zinc/28/06/86/981280686.db2.gz LCWHMIUIYIAAQT-GFCCVEGCSA-N -1 0 301.367 3.553 20 0 DHADRM CC/C=C(/C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595508843 981298096 /nfs/dbraw/zinc/29/80/96/981298096.db2.gz YOIAXFVPELXUFA-DAXSKMNVSA-N -1 0 302.157 3.986 20 0 DHADRM Cc1cc(C)cc(C2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)c1 ZINC000908356177 981307841 /nfs/dbraw/zinc/30/78/41/981307841.db2.gz WEJCIDSCXZLMBM-OAHLLOKOSA-N -1 0 317.429 3.510 20 0 DHADRM Cc1cc2[nH]c(CCCOc3ccc(F)cc3)nc(=O)c2s1 ZINC000656491010 1014723468 /nfs/dbraw/zinc/72/34/68/1014723468.db2.gz IXNHRLVBYVEJKS-UHFFFAOYSA-N -1 0 318.373 3.856 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502481 981319236 /nfs/dbraw/zinc/31/92/36/981319236.db2.gz ZHNVABRBGHPULF-NWDGAFQWSA-N -1 0 305.374 3.548 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C ZINC000908806115 981365869 /nfs/dbraw/zinc/36/58/69/981365869.db2.gz GJILQMJUXUBYNE-FTXHTYHOSA-N -1 0 315.413 3.516 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000908807369 981365875 /nfs/dbraw/zinc/36/58/75/981365875.db2.gz WGEOPSGZEGURMU-VNCLNFNDSA-N -1 0 321.461 3.696 20 0 DHADRM CCC[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccccn1 ZINC001595537483 981387957 /nfs/dbraw/zinc/38/79/57/981387957.db2.gz LCEFPVFRNAKZQB-YMAMQOFZSA-N -1 0 319.401 3.542 20 0 DHADRM CCC[C@@H](C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC)C(C)C ZINC001595539209 981397446 /nfs/dbraw/zinc/39/74/46/981397446.db2.gz XFCUWPJNBSSHIS-QQBNSCQMSA-N -1 0 320.385 3.771 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595541100 981399501 /nfs/dbraw/zinc/39/95/01/981399501.db2.gz HKXASHPWZSZOAK-QGZVFWFLSA-N -1 0 307.390 3.686 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595541890 981402133 /nfs/dbraw/zinc/40/21/33/981402133.db2.gz QEEGDLBEZBOHLE-IQBZNYMQSA-N -1 0 320.385 3.915 20 0 DHADRM Cc1cc(NC(=O)CC2CC(OC(C)(C)C)C2)ccc1C(=O)[O-] ZINC000909223720 981435673 /nfs/dbraw/zinc/43/56/73/981435673.db2.gz YTNKAFWUXZFNKA-UHFFFAOYSA-N -1 0 319.401 3.616 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)C2=CCCCCC2)c1 ZINC000909224428 981436478 /nfs/dbraw/zinc/43/64/78/981436478.db2.gz ACXWRMWORJGLGO-UHFFFAOYSA-N -1 0 319.426 3.833 20 0 DHADRM CCC/C(C)=C/C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595565903 981457618 /nfs/dbraw/zinc/45/76/18/981457618.db2.gz LTFXFNZJBMWLNB-XADBSNKSSA-N -1 0 301.386 3.550 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000909283753 981458423 /nfs/dbraw/zinc/45/84/23/981458423.db2.gz JNVDRQRFMLOUPN-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CCC/C(C)=C\C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595566069 981459008 /nfs/dbraw/zinc/45/90/08/981459008.db2.gz NMVAKGPHHSYHOU-OBEJXRGXSA-N -1 0 303.402 3.797 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595573066 981486662 /nfs/dbraw/zinc/48/66/62/981486662.db2.gz QQGRNLGWOGOGRY-GJZGRUSLSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595573068 981486667 /nfs/dbraw/zinc/48/66/67/981486667.db2.gz QQGRNLGWOGOGRY-HUUCEWRRSA-N -1 0 309.450 3.839 20 0 DHADRM Cc1oc2ccccc2c1C(=O)NCCCCCCCC(=O)[O-] ZINC000909465435 981502315 /nfs/dbraw/zinc/50/23/15/981502315.db2.gz BTGPFCLBHBSANV-UHFFFAOYSA-N -1 0 317.385 3.896 20 0 DHADRM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001595579615 981509043 /nfs/dbraw/zinc/50/90/43/981509043.db2.gz RNWITYRRNBQUTK-JTQLQIEISA-N -1 0 316.361 3.656 20 0 DHADRM CCC[C@H](CC)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595585720 981525808 /nfs/dbraw/zinc/52/58/08/981525808.db2.gz AQXVUFZFMIAYAQ-ZDUSSCGKSA-N -1 0 303.402 3.799 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001595585848 981526524 /nfs/dbraw/zinc/52/65/24/981526524.db2.gz GDEJORQRTAKRQA-SNVBAGLBSA-N -1 0 311.353 3.687 20 0 DHADRM CCCC(CCC)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595586986 981538064 /nfs/dbraw/zinc/53/80/64/981538064.db2.gz XFOKCDGCYRRSLW-UHFFFAOYSA-N -1 0 323.389 3.557 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001595587672 981543607 /nfs/dbraw/zinc/54/36/07/981543607.db2.gz USVLXHAYLXFTOK-YJBOKZPZSA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595587879 981544933 /nfs/dbraw/zinc/54/49/33/981544933.db2.gz YZGHVOFIQGEQEI-HHARLNAUSA-N -1 0 321.461 3.599 20 0 DHADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](C)CC(=O)[O-] ZINC001595593796 981558705 /nfs/dbraw/zinc/55/87/05/981558705.db2.gz HATIRWGGHFCSMA-RDJZCZTQSA-N -1 0 319.445 3.747 20 0 DHADRM CCC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCCC1 ZINC001595599060 981570644 /nfs/dbraw/zinc/57/06/44/981570644.db2.gz SIPPWKHMLOWXTL-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C ZINC001595600255 981578399 /nfs/dbraw/zinc/57/83/99/981578399.db2.gz LXCUSXOSUSJCBB-CYBMUJFWSA-N -1 0 310.369 3.860 20 0 DHADRM CC(C)(C)C1CCN(C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC000909723096 981579213 /nfs/dbraw/zinc/57/92/13/981579213.db2.gz FAOINLRHEPTLPV-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM CC(C)(C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000909725510 981580832 /nfs/dbraw/zinc/58/08/32/981580832.db2.gz SSJFCAZCSASYBR-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CCC[C@@H](O)CCCSc1nc(Cl)c(C(=O)[O-])s1 ZINC001595609033 981616492 /nfs/dbraw/zinc/61/64/92/981616492.db2.gz NVRUNIVRTUXDGO-SSDOTTSWSA-N -1 0 309.840 3.528 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC001594742469 981617357 /nfs/dbraw/zinc/61/73/57/981617357.db2.gz CPDMDPSBZJODEN-RHSMWYFYSA-N -1 0 311.381 3.614 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001594742498 981618037 /nfs/dbraw/zinc/61/80/37/981618037.db2.gz CVCMQYKFPLJCTH-DCVVVBLRSA-N -1 0 315.413 3.582 20 0 DHADRM C/C=C(/CC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909785666 981621143 /nfs/dbraw/zinc/62/11/43/981621143.db2.gz COSRSQLXDRVOQC-KHZYOYQBSA-N -1 0 311.381 3.828 20 0 DHADRM COc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1C ZINC000442842069 1014749377 /nfs/dbraw/zinc/74/93/77/1014749377.db2.gz BBQGMEKNEHBBFN-UHFFFAOYSA-N -1 0 317.366 3.551 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001594743563 981624696 /nfs/dbraw/zinc/62/46/96/981624696.db2.gz WJCVIOSUNGWXKS-JKSUJKDBSA-N -1 0 317.429 3.758 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001594747873 981640864 /nfs/dbraw/zinc/64/08/64/981640864.db2.gz MABIAAGBFIUFFR-HZPDHXFCSA-N -1 0 321.392 3.674 20 0 DHADRM CCn1cc(Cl)cc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909831133 981648966 /nfs/dbraw/zinc/64/89/66/981648966.db2.gz NKAOWMSPGIAWPP-JTQLQIEISA-N -1 0 320.776 3.602 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594759533 981687473 /nfs/dbraw/zinc/68/74/73/981687473.db2.gz MCBMGQANCIJVEK-GFCCVEGCSA-N -1 0 303.402 3.695 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595620492 981690223 /nfs/dbraw/zinc/69/02/23/981690223.db2.gz JXFKSGOFFRAWFF-PVAVHDDUSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC001594761550 981693560 /nfs/dbraw/zinc/69/35/60/981693560.db2.gz FMQHZKDCCRTXAK-AWEZNQCLSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595621093 981696666 /nfs/dbraw/zinc/69/66/66/981696666.db2.gz BRTLGNFQFOEKBC-WFASDCNBSA-N -1 0 304.390 3.865 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(Oc2cccc(C)c2)c1 ZINC001594762380 981698750 /nfs/dbraw/zinc/69/87/50/981698750.db2.gz VNHYYPPIQNBNKF-INIZCTEOSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595621374 981699548 /nfs/dbraw/zinc/69/95/48/981699548.db2.gz HHAAWELALOCOOM-CABCVRRESA-N -1 0 309.450 3.887 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595621657 981702314 /nfs/dbraw/zinc/70/23/14/981702314.db2.gz MIJITNYMWLDJPJ-OCCSQVGLSA-N -1 0 321.392 3.860 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595623007 981716445 /nfs/dbraw/zinc/71/64/45/981716445.db2.gz ZTGZIBSPLYQBDX-HUUCEWRRSA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C(=O)[O-])co1 ZINC001595623308 981719592 /nfs/dbraw/zinc/71/95/92/981719592.db2.gz JTWGGKDBRHBPHD-CQSZACIVSA-N -1 0 313.353 3.740 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 ZINC001594767479 981725744 /nfs/dbraw/zinc/72/57/44/981725744.db2.gz GZJXRSHMAAVOFN-KCYZZUKISA-N -1 0 317.429 3.955 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1csc(Cl)c1)c1ccccc1 ZINC001594769828 981733470 /nfs/dbraw/zinc/73/34/70/981733470.db2.gz BCZSEJBONHYPCE-LBPRGKRZSA-N -1 0 323.801 3.912 20 0 DHADRM CCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595626459 981760944 /nfs/dbraw/zinc/76/09/44/981760944.db2.gz TZUKTNKWSQJDLS-ZDUSSCGKSA-N -1 0 318.200 3.768 20 0 DHADRM CCCC[C@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])C(C)C ZINC001595627462 981771953 /nfs/dbraw/zinc/77/19/53/981771953.db2.gz GRRACUNZALWPGV-KRWDZBQOSA-N -1 0 319.445 3.605 20 0 DHADRM CCCC[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC001595627582 981773965 /nfs/dbraw/zinc/77/39/65/981773965.db2.gz KNIIUSFKMSNRDX-RVKKMQEKSA-N -1 0 309.450 3.552 20 0 DHADRM CCCC[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])C(C)C ZINC001595627648 981774899 /nfs/dbraw/zinc/77/48/99/981774899.db2.gz OBHJZHHIAKBIOE-WBVHZDCISA-N -1 0 319.445 3.951 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1CCC(C)(C)CC1 ZINC001594779925 981781873 /nfs/dbraw/zinc/78/18/73/981781873.db2.gz BOSMMLDMBDCAGS-SFHVURJKSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)CCSCC(=O)[O-] ZINC000910228380 981792753 /nfs/dbraw/zinc/79/27/53/981792753.db2.gz JWTGLNISJSIDEO-UHFFFAOYSA-N -1 0 315.822 3.610 20 0 DHADRM CCCC[C@H](C)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595631641 981841185 /nfs/dbraw/zinc/84/11/85/981841185.db2.gz XGDWPRKZWWOHJF-OANVXVOSSA-N -1 0 306.358 3.525 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595632037 981848620 /nfs/dbraw/zinc/84/86/20/981848620.db2.gz PHQCADQEYUUFTQ-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595632343 981853118 /nfs/dbraw/zinc/85/31/18/981853118.db2.gz FNXDGDBASSQGEU-CQSZACIVSA-N -1 0 322.449 3.792 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595632494 981855519 /nfs/dbraw/zinc/85/55/19/981855519.db2.gz ZUAARPUJACJZGQ-HOCLYGCPSA-N -1 0 305.418 3.843 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)c1ccsc1CC(=O)[O-] ZINC001595632758 981859992 /nfs/dbraw/zinc/85/99/92/981859992.db2.gz PYVZUHGADHVOIZ-LBPRGKRZSA-N -1 0 311.447 3.712 20 0 DHADRM CCCC[C@@H](CC)CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595632715 981860083 /nfs/dbraw/zinc/86/00/83/981860083.db2.gz OETAHIAQOKZGII-CYBMUJFWSA-N -1 0 324.421 3.644 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001594796677 981879625 /nfs/dbraw/zinc/87/96/25/981879625.db2.gz IAZFVCPBMUPSGA-PPXVZNSRSA-N -1 0 323.477 3.798 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCC=CCCC2)c2ccccc21 ZINC000910361284 981892410 /nfs/dbraw/zinc/89/24/10/981892410.db2.gz VFGIGKPKNFEZQT-LSDHHAIUSA-N -1 0 313.397 3.728 20 0 DHADRM CCCC[C@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001595636273 981914777 /nfs/dbraw/zinc/91/47/77/981914777.db2.gz JLPLMQNWTJYMRW-LBPRGKRZSA-N -1 0 322.792 3.503 20 0 DHADRM CCCC[C@@H](NC(=O)c1c(C)ccc2cc(C)ccc21)C(=O)[O-] ZINC001595636378 981916439 /nfs/dbraw/zinc/91/64/39/981916439.db2.gz PFLYRJTUIXMLDT-MRXNPFEDSA-N -1 0 313.397 3.830 20 0 DHADRM CCCC[C@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001595637569 981933244 /nfs/dbraw/zinc/93/32/44/981933244.db2.gz LXJWOZCHVONHGW-HNNXBMFYSA-N -1 0 317.385 3.929 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC001594815887 981946823 /nfs/dbraw/zinc/94/68/23/981946823.db2.gz SZWGKMZOKQFSMR-HNNXBMFYSA-N -1 0 318.417 3.845 20 0 DHADRM Cc1ccc(C(=O)N2CCc3ccsc3[C@H]2C)cc1C(=O)[O-] ZINC000910504692 981970240 /nfs/dbraw/zinc/97/02/40/981970240.db2.gz SKUAAXVYJVBISX-LLVKDONJSA-N -1 0 315.394 3.514 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)s1 ZINC001594821460 981970676 /nfs/dbraw/zinc/97/06/76/981970676.db2.gz ANKSOAAYMASANZ-QGZVFWFLSA-N -1 0 317.410 3.788 20 0 DHADRM CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCCCC1 ZINC000910506906 981972294 /nfs/dbraw/zinc/97/22/94/981972294.db2.gz RTBVBMJCDOLYGV-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001594821790 981972706 /nfs/dbraw/zinc/97/27/06/981972706.db2.gz KDSWDUWIIIUEJZ-ZDUSSCGKSA-N -1 0 322.163 3.506 20 0 DHADRM CCCC[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)[O-] ZINC001595644488 981978627 /nfs/dbraw/zinc/97/86/27/981978627.db2.gz BEJQLZZFYDDYIX-HNNXBMFYSA-N -1 0 316.357 3.587 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000910561881 981991473 /nfs/dbraw/zinc/99/14/73/981991473.db2.gz YHYLJZRIIULRQZ-KBPBESRZSA-N -1 0 323.392 3.970 20 0 DHADRM CCCC[C@@H](OC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001595646103 981995621 /nfs/dbraw/zinc/99/56/21/981995621.db2.gz XDDFKYXCNLASTR-CYBMUJFWSA-N -1 0 321.760 3.688 20 0 DHADRM CCCC[C@@H](Nc1ccn([C@@H](C)c2ccccc2)n1)C(=O)[O-] ZINC001595646772 982001736 /nfs/dbraw/zinc/00/17/36/982001736.db2.gz UJYXEOQJUKZOKM-DZGCQCFKSA-N -1 0 301.390 3.548 20 0 DHADRM CCCC[C@H](OC(=O)/C=C/c1ccc(Cl)s1)C(=O)[O-] ZINC001595651437 982021354 /nfs/dbraw/zinc/02/13/54/982021354.db2.gz UJWYBWIJTCITNL-PCGIRMHASA-N -1 0 302.779 3.601 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595651486 982022122 /nfs/dbraw/zinc/02/21/22/982022122.db2.gz GYKOONFEAOBJOA-GXTWGEPZSA-N -1 0 309.431 3.699 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccco1 ZINC000910624890 982033852 /nfs/dbraw/zinc/03/38/52/982033852.db2.gz XGBALRHDFMCYDQ-LLVKDONJSA-N -1 0 317.341 3.509 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000910650301 982042827 /nfs/dbraw/zinc/04/28/27/982042827.db2.gz KHLPXUFFNVSUKY-UHFFFAOYSA-N -1 0 310.419 3.774 20 0 DHADRM Cc1sc(NC(=O)c2ccc(C(=O)[O-])cc2F)nc1C(C)C ZINC000910678184 982052257 /nfs/dbraw/zinc/05/22/57/982052257.db2.gz AVINDTYJKPAXAL-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM CCCCC1(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001595656705 982055445 /nfs/dbraw/zinc/05/54/45/982055445.db2.gz FHXOCVPQJNSXNN-UHFFFAOYSA-N -1 0 312.369 3.842 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001595657203 982059697 /nfs/dbraw/zinc/05/96/97/982059697.db2.gz NGIHQAAUABBZDR-CYBMUJFWSA-N -1 0 318.417 3.794 20 0 DHADRM CCCC[C@H](Sc1nnc(C)n1C1CCCCC1)C(=O)[O-] ZINC001595657815 982066601 /nfs/dbraw/zinc/06/66/01/982066601.db2.gz SRFSWJMYWUMGMS-ZDUSSCGKSA-N -1 0 311.451 3.827 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H](C)c2ccsc2)nc1C(=O)[O-] ZINC000910699277 982069481 /nfs/dbraw/zinc/06/94/81/982069481.db2.gz NQTBTUKDXAHOFM-MRVPVSSYSA-N -1 0 324.427 3.768 20 0 DHADRM CCCCC1CCC(NC(=O)Nc2ccc(C(=O)[O-])cn2)CC1 ZINC001595660435 982070330 /nfs/dbraw/zinc/07/03/30/982070330.db2.gz DTUKMAFXIBHPTB-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C2\CC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910700936 982070562 /nfs/dbraw/zinc/07/05/62/982070562.db2.gz MWERBMZYSGUGMU-YIXGCBLDSA-N -1 0 308.403 3.650 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1C(=O)[O-] ZINC000910705877 982075731 /nfs/dbraw/zinc/07/57/31/982075731.db2.gz NHOMOMPLGWSXAU-OUAUKWLOSA-N -1 0 320.414 3.506 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595661452 982076272 /nfs/dbraw/zinc/07/62/72/982076272.db2.gz UIFPPUWPKKIHPJ-DOMZBBRYSA-N -1 0 304.390 3.865 20 0 DHADRM CCCCC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(C)C ZINC001595663446 982084195 /nfs/dbraw/zinc/08/41/95/982084195.db2.gz WFJSEUWDSPXNGF-MPGHIAIKSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccs1 ZINC000910734420 982096944 /nfs/dbraw/zinc/09/69/44/982096944.db2.gz VGHKWKXMDNCJHB-SSDOTTSWSA-N -1 0 322.411 3.522 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595666255 982098367 /nfs/dbraw/zinc/09/83/67/982098367.db2.gz HAQLYTXZUTXTJY-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910744033 982107081 /nfs/dbraw/zinc/10/70/81/982107081.db2.gz TVAGQIXHRCJGFD-UHFFFAOYSA-N -1 0 310.419 3.730 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595666803 982107359 /nfs/dbraw/zinc/10/73/59/982107359.db2.gz SCJZQEYGJZZGRD-SNVBAGLBSA-N -1 0 312.435 3.949 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595666802 982107481 /nfs/dbraw/zinc/10/74/81/982107481.db2.gz SCJZQEYGJZZGRD-JTQLQIEISA-N -1 0 312.435 3.949 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595670922 982121392 /nfs/dbraw/zinc/12/13/92/982121392.db2.gz VPAQHWGFNZHNKB-ZDUSSCGKSA-N -1 0 320.433 3.996 20 0 DHADRM CCCCC[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001595671927 982127553 /nfs/dbraw/zinc/12/75/53/982127553.db2.gz JFNYPKHPENIDKT-DOTOQJQBSA-N -1 0 317.429 3.646 20 0 DHADRM CSc1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1C(=O)[O-] ZINC000910946357 982171719 /nfs/dbraw/zinc/17/17/19/982171719.db2.gz MSWHTHVAOVIKPU-JTQLQIEISA-N -1 0 307.415 3.872 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC001594873997 982197585 /nfs/dbraw/zinc/19/75/85/982197585.db2.gz RTXBHJRSOROMJM-WBMJQRKESA-N -1 0 316.353 3.851 20 0 DHADRM CCCCCC[C@@](C)(CCC)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595694478 982211409 /nfs/dbraw/zinc/21/14/09/982211409.db2.gz BPQASSHTLKDHMC-IIDMSEBBSA-N -1 0 311.466 3.942 20 0 DHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCCCC(=O)[O-] ZINC000674992222 1014816266 /nfs/dbraw/zinc/81/62/66/1014816266.db2.gz FAVZNJRKDFIFEN-SFHVURJKSA-N -1 0 305.418 3.796 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595695331 982217942 /nfs/dbraw/zinc/21/79/42/982217942.db2.gz SAZBLFYHSBLCBJ-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC001595697456 982240621 /nfs/dbraw/zinc/24/06/21/982240621.db2.gz KDOKHDRLHYUZMP-CQSZACIVSA-N -1 0 320.433 3.848 20 0 DHADRM CSC[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000092762381 1014818616 /nfs/dbraw/zinc/81/86/16/1014818616.db2.gz INYWJZFMMCGLAE-CYBMUJFWSA-N -1 0 301.411 3.513 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594887764 982275233 /nfs/dbraw/zinc/27/52/33/982275233.db2.gz UPPYUKTWHIRLQH-PUPYBWJYSA-N -1 0 317.429 3.829 20 0 DHADRM CCCCCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595712135 982303193 /nfs/dbraw/zinc/30/31/93/982303193.db2.gz HZVRGNHRDRNFMQ-OAHLLOKOSA-N -1 0 320.433 3.718 20 0 DHADRM CCCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1 ZINC001595731644 982362673 /nfs/dbraw/zinc/36/26/73/982362673.db2.gz BABXGCDHBQZXTD-JKSUJKDBSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCC[C@H](C)C1 ZINC001595735829 982379618 /nfs/dbraw/zinc/37/96/18/982379618.db2.gz MRFTZYIIFTTYQW-KBPBESRZSA-N -1 0 318.417 3.601 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911452484 982437974 /nfs/dbraw/zinc/43/79/74/982437974.db2.gz NSYWNOVVBZUZAS-SMDDNHRTSA-N -1 0 309.793 3.504 20 0 DHADRM CC(C)C[C@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000911458387 982441007 /nfs/dbraw/zinc/44/10/07/982441007.db2.gz CQXJBGKGOJNCBT-VNCLNFNDSA-N -1 0 321.461 3.696 20 0 DHADRM CCC(C)(C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000521935282 1014840936 /nfs/dbraw/zinc/84/09/36/1014840936.db2.gz LLMVYSKIMIWUMB-UHFFFAOYSA-N -1 0 309.822 3.655 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nnc(C)n1C1CCCCC1)C(=O)[O-] ZINC001594930140 982550126 /nfs/dbraw/zinc/55/01/26/982550126.db2.gz VSDPYGZLPOYMCQ-GXFFZTMASA-N -1 0 311.451 3.683 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-] ZINC001594930089 982550413 /nfs/dbraw/zinc/55/04/13/982550413.db2.gz VMZLYHXEHBFCDR-YPMHNXCESA-N -1 0 320.414 3.945 20 0 DHADRM CCCCOc1cccc(NCc2nc(C(=O)[O-])cs2)c1 ZINC001595781203 982561185 /nfs/dbraw/zinc/56/11/85/982561185.db2.gz TVIYFPKSDDPVCU-UHFFFAOYSA-N -1 0 306.387 3.632 20 0 DHADRM CC[C@H](C)CC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594934492 982579822 /nfs/dbraw/zinc/57/98/22/982579822.db2.gz JTKLFRVSQQTVCK-ZANVPECISA-N -1 0 318.291 3.968 20 0 DHADRM CCCCSCC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595789462 982589338 /nfs/dbraw/zinc/58/93/38/982589338.db2.gz ZMSATSXPGZIPAB-UHFFFAOYSA-N -1 0 321.442 3.506 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-] ZINC001594937340 982599003 /nfs/dbraw/zinc/59/90/03/982599003.db2.gz STAONUAUMOMFNK-RBZJEDDUSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001595796145 982600381 /nfs/dbraw/zinc/60/03/81/982600381.db2.gz HTCHWXJFTDHESB-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM CCCCc1ccc(OC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001595797151 982605285 /nfs/dbraw/zinc/60/52/85/982605285.db2.gz VASJDNNVWHKSEV-UHFFFAOYSA-N -1 0 302.326 3.848 20 0 DHADRM CC(C)OC(=O)c1cc(-c2cccc(C(=O)[O-])c2)ccc1F ZINC000522004249 1014862683 /nfs/dbraw/zinc/86/26/83/1014862683.db2.gz QKKYCZLVLAMNFB-UHFFFAOYSA-N -1 0 302.301 3.756 20 0 DHADRM CC(C)Oc1c(NC(=O)C[C@@H]2C[C@H]2C2CC2)cccc1C(=O)[O-] ZINC000911733315 982617703 /nfs/dbraw/zinc/61/77/03/982617703.db2.gz UZXPPSPIPWIUDN-JSGCOSHPSA-N -1 0 317.385 3.547 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H](C)C2CCCC2)cccc1C(=O)[O-] ZINC000911734225 982618431 /nfs/dbraw/zinc/61/84/31/982618431.db2.gz PHNAVFFTRUQGLA-LBPRGKRZSA-N -1 0 319.401 3.937 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC000911733995 982618513 /nfs/dbraw/zinc/61/85/13/982618513.db2.gz MFZWNZMXEIMXHC-CHWSQXEVSA-N -1 0 319.401 3.793 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737956 982620107 /nfs/dbraw/zinc/62/01/07/982620107.db2.gz JQKDCAZYYUMKCU-RYUDHWBXSA-N -1 0 307.390 3.793 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001594945304 982631989 /nfs/dbraw/zinc/63/19/89/982631989.db2.gz BAMVKXHWWXTEQW-DYVFJYSZSA-N -1 0 317.429 3.963 20 0 DHADRM CCCCn1ncc(NCc2cc(C(=O)[O-])c(C)[nH]2)c1C(C)C ZINC001595810852 982647541 /nfs/dbraw/zinc/64/75/41/982647541.db2.gz SHHDZCCBBYLTCC-UHFFFAOYSA-N -1 0 318.421 3.753 20 0 DHADRM CC[C@H](C)C[C@@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC001594952289 982667018 /nfs/dbraw/zinc/66/70/18/982667018.db2.gz IAXLSQNQDMLQCD-CMPLNLGQSA-N -1 0 313.357 3.677 20 0 DHADRM CCCN(C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)[C@H](C)C(=O)[O-] ZINC001595816593 982674060 /nfs/dbraw/zinc/67/40/60/982674060.db2.gz JAIVYLZKBXJUMY-XIUFZNIESA-N -1 0 309.450 3.717 20 0 DHADRM CCCN(C(=O)CCSCC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595816800 982676000 /nfs/dbraw/zinc/67/60/00/982676000.db2.gz PJBZADJOARLKRJ-HNNXBMFYSA-N -1 0 323.458 3.584 20 0 DHADRM CCCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595817017 982677278 /nfs/dbraw/zinc/67/72/78/982677278.db2.gz OEGCMCAKBKPOQJ-IDTUSYRASA-N -1 0 317.429 3.925 20 0 DHADRM CC[C@H](C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594958067 982694812 /nfs/dbraw/zinc/69/48/12/982694812.db2.gz PZUHNTMTPLXNSX-VIFPVBQESA-N -1 0 315.316 3.751 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C[C@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000923075661 982708086 /nfs/dbraw/zinc/70/80/86/982708086.db2.gz LHQFTMOBWRCCCO-KBPBESRZSA-N -1 0 301.386 3.635 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000923090456 982716485 /nfs/dbraw/zinc/71/64/85/982716485.db2.gz CWYZOQVOMVHSHI-UHFFFAOYSA-N -1 0 319.382 3.794 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1cc(C)cc(C)c1 ZINC000923091605 982717149 /nfs/dbraw/zinc/71/71/49/982717149.db2.gz FCCJBCUHNCOYJO-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000923095370 982719605 /nfs/dbraw/zinc/71/96/05/982719605.db2.gz RJZDCZKNUDGYTP-HNNXBMFYSA-N -1 0 315.394 3.887 20 0 DHADRM CCCCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000923102069 982725356 /nfs/dbraw/zinc/72/53/56/982725356.db2.gz IXZIFIUETYYPND-ZDUSSCGKSA-N -1 0 301.386 3.562 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001594975435 982749542 /nfs/dbraw/zinc/74/95/42/982749542.db2.gz IPGITHOKZOUICZ-GJZGRUSLSA-N -1 0 319.445 3.700 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C1C ZINC001594985610 982804981 /nfs/dbraw/zinc/80/49/81/982804981.db2.gz VWRZQWGATBMCNE-XPTSAGLGSA-N -1 0 322.792 3.563 20 0 DHADRM CC(C)(CC(=O)NC1(CCC(=O)[O-])CCCCC1)C(F)(F)F ZINC000923211320 982842759 /nfs/dbraw/zinc/84/27/59/982842759.db2.gz DGZDJJARVABFJG-UHFFFAOYSA-N -1 0 323.355 3.649 20 0 DHADRM CCCN(CC1CC1)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595870864 982857950 /nfs/dbraw/zinc/85/79/50/982857950.db2.gz ZLIDHCXCGMKTDR-UHFFFAOYSA-N -1 0 310.419 3.717 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001595007431 982924739 /nfs/dbraw/zinc/92/47/39/982924739.db2.gz BGGVJECADHHNCP-LLVKDONJSA-N -1 0 318.348 3.708 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(/C=C\C(=O)[O-])o2)n1 ZINC001595007617 982925514 /nfs/dbraw/zinc/92/55/14/982925514.db2.gz DGSURBFUIJXDTM-ZWLSGLHFSA-N -1 0 316.357 3.562 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccc(/C=C\C(=O)[O-])o2)n1 ZINC001595007613 982925583 /nfs/dbraw/zinc/92/55/83/982925583.db2.gz DGSURBFUIJXDTM-PRDAAYKISA-N -1 0 316.357 3.562 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001595013405 982947402 /nfs/dbraw/zinc/94/74/02/982947402.db2.gz IHSHMSFGHJOFTL-YVEFUNNKSA-N -1 0 304.390 3.529 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC001595013583 982948234 /nfs/dbraw/zinc/94/82/34/982948234.db2.gz JXJSFHREHPQKET-SDDRHHMPSA-N -1 0 309.431 3.733 20 0 DHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000443409531 1014897557 /nfs/dbraw/zinc/89/75/57/1014897557.db2.gz ODULUBPWUPRKKM-UHFFFAOYSA-N -1 0 312.394 3.598 20 0 DHADRM CC(C)c1nc(CN[C@H](CC2CCCCC2)C(=O)[O-])cs1 ZINC001119602819 983004182 /nfs/dbraw/zinc/00/41/82/983004182.db2.gz ZYJGPAXMMGRIBV-CQSZACIVSA-N -1 0 310.463 3.780 20 0 DHADRM CCCSc1cccc(NCc2cc(C(=O)[O-])oc2C)n1 ZINC001595988012 983241620 /nfs/dbraw/zinc/24/16/20/983241620.db2.gz VHLCAPGDIPVUIZ-UHFFFAOYSA-N -1 0 306.387 3.795 20 0 DHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001596008434 983266420 /nfs/dbraw/zinc/26/64/20/983266420.db2.gz QHNJZCVLVLZSGK-UKRRQHHQSA-N -1 0 321.442 3.769 20 0 DHADRM CCC[C@H](NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001596020294 983283515 /nfs/dbraw/zinc/28/35/15/983283515.db2.gz RSSPGWYQCKQHHY-JTQLQIEISA-N -1 0 311.790 3.538 20 0 DHADRM CCCc1c(C(=O)N[C@@H](C)CCC=C(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596036694 983315051 /nfs/dbraw/zinc/31/50/51/983315051.db2.gz PCBLRMOIIJRURN-LBPRGKRZSA-N -1 0 320.433 3.839 20 0 DHADRM CCCc1c(C(=O)NCC[C@@H](C)CCC)[nH]c(C)c1C(=O)[O-] ZINC001596037648 983322153 /nfs/dbraw/zinc/32/21/53/983322153.db2.gz LXNLNVZCPVXEBG-NSHDSACASA-N -1 0 308.422 3.530 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(F)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045365 983332943 /nfs/dbraw/zinc/33/29/43/983332943.db2.gz MHRHHSALLMITPA-UHFFFAOYSA-N -1 0 318.348 3.674 20 0 DHADRM CCCc1cc(C(=O)NCC(C)(C)CC(=O)[O-])ccc1Cl ZINC001596054799 983356773 /nfs/dbraw/zinc/35/67/73/983356773.db2.gz BDMDKIQXXHONES-UHFFFAOYSA-N -1 0 311.809 3.523 20 0 DHADRM CCCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001596055719 983359508 /nfs/dbraw/zinc/35/95/08/983359508.db2.gz XZLCFFVDTXOZPS-AWEZNQCLSA-N -1 0 311.809 3.522 20 0 DHADRM CCCc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)no2)s1 ZINC001596059312 983367794 /nfs/dbraw/zinc/36/77/94/983367794.db2.gz ZRQSGFMIQJQRBZ-UHFFFAOYSA-N -1 0 304.327 3.709 20 0 DHADRM CCCc1ncc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])s1 ZINC001596100915 983423693 /nfs/dbraw/zinc/42/36/93/983423693.db2.gz VQGRRJOSBPRYGR-UHFFFAOYSA-N -1 0 318.398 3.609 20 0 DHADRM CCCc1nc(CSc2cc(Cl)ccc2C(=O)[O-])no1 ZINC001596100978 983424388 /nfs/dbraw/zinc/42/43/88/983424388.db2.gz ZXUCXIQXTIFTMV-UHFFFAOYSA-N -1 0 312.778 3.666 20 0 DHADRM CCCc1occc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001596102501 983427085 /nfs/dbraw/zinc/42/70/85/983427085.db2.gz BYTZKCRQNGDZPG-UHFFFAOYSA-N -1 0 307.733 3.836 20 0 DHADRM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000013948424 1014951451 /nfs/dbraw/zinc/95/14/51/1014951451.db2.gz HWMVOKLYJGYJEG-UHFFFAOYSA-N -1 0 305.783 3.650 20 0 DHADRM CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001596156621 983516075 /nfs/dbraw/zinc/51/60/75/983516075.db2.gz IFVJKCDGDDZSST-UHFFFAOYSA-N -1 0 320.776 3.650 20 0 DHADRM CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@@H](C)C(C)C ZINC001596158920 983522720 /nfs/dbraw/zinc/52/27/20/983522720.db2.gz VVNBQAGCZWQKBL-VBNZEHGJSA-N -1 0 318.417 3.773 20 0 DHADRM CCN(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1C(=O)[O-] ZINC001596167111 983531416 /nfs/dbraw/zinc/53/14/16/983531416.db2.gz HRTPHIYYPIILKL-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(C)cc1C ZINC001596167310 983532118 /nfs/dbraw/zinc/53/21/18/983532118.db2.gz NMKSTHFNBVJYIG-JXMROGBWSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 ZINC001596305868 983734776 /nfs/dbraw/zinc/73/47/76/983734776.db2.gz VTHIGJDWENXIQU-XAUUPUKJSA-N -1 0 323.477 3.942 20 0 DHADRM CCN(Cc1c(F)cccc1F)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596354147 983814081 /nfs/dbraw/zinc/81/40/81/983814081.db2.gz ALHSAUFVABQMPW-MRXNPFEDSA-N -1 0 323.314 3.752 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c1 ZINC000443531343 1014985662 /nfs/dbraw/zinc/98/56/62/1014985662.db2.gz QNQXBNIGHSSHBL-UHFFFAOYSA-N -1 0 319.426 3.799 20 0 DHADRM CCN(Cc1occc1C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001596380784 983904831 /nfs/dbraw/zinc/90/48/31/983904831.db2.gz ZYQBZCIEROBQMZ-UHFFFAOYSA-N -1 0 316.357 3.649 20 0 DHADRM CCCOc1cccc(N=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000581565195 1014998723 /nfs/dbraw/zinc/99/87/23/1014998723.db2.gz BYHHNEBEXSQQLJ-UHFFFAOYSA-N -1 0 303.309 3.511 20 0 DHADRM CC[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512430 1015021000 /nfs/dbraw/zinc/02/10/00/1015021000.db2.gz DNAWTZZLBKGIGS-ZIAGYGMSSA-N -1 0 319.401 3.535 20 0 DHADRM CCOC(=O)[C@H](CC)SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596527563 984344731 /nfs/dbraw/zinc/34/47/31/984344731.db2.gz JKYNETVCHKFTPQ-LBPRGKRZSA-N -1 0 316.806 3.613 20 0 DHADRM C=Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001588919388 984571574 /nfs/dbraw/zinc/57/15/74/984571574.db2.gz JXGMPZOYYHMKJY-UHFFFAOYSA-N -1 0 301.729 3.934 20 0 DHADRM C/C(=C/C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588932095 984605147 /nfs/dbraw/zinc/60/51/47/984605147.db2.gz AUHGYPJETIYYOD-PTNGSMBKSA-N -1 0 317.429 3.685 20 0 DHADRM C/C(=C(\F)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001588932973 984611096 /nfs/dbraw/zinc/61/10/96/984611096.db2.gz OBLWOPIPBFJAEK-ATGUSINASA-N -1 0 319.376 3.608 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001588944049 984644343 /nfs/dbraw/zinc/64/43/43/984644343.db2.gz NDYZZQBCSOBIOT-YFHOEESVSA-N -1 0 317.291 3.705 20 0 DHADRM C/C(=C/C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC001588945234 984652435 /nfs/dbraw/zinc/65/24/35/984652435.db2.gz IHZZATNWIJVYBU-BENRWUELSA-N -1 0 315.394 3.807 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccsc1Cl ZINC001599888157 984661975 /nfs/dbraw/zinc/66/19/75/984661975.db2.gz CNYHAFOSFAMHNP-SNVBAGLBSA-N -1 0 323.801 3.517 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(C2CC2)c1 ZINC001599888854 984670586 /nfs/dbraw/zinc/67/05/86/984670586.db2.gz XYBKECWAPNRBGJ-CQSZACIVSA-N -1 0 323.392 3.680 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1ncc(C(F)(F)F)cc1Cl ZINC001588952110 984684372 /nfs/dbraw/zinc/68/43/72/984684372.db2.gz KNUWJAYPAHVNDR-QHHAFSJGSA-N -1 0 311.712 3.877 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)c1occc1CSc1ccccc1 ZINC001599890520 984688481 /nfs/dbraw/zinc/68/84/81/984688481.db2.gz YWEMDVFLDWBGLS-LLVKDONJSA-N -1 0 320.366 3.592 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588953272 984693723 /nfs/dbraw/zinc/69/37/23/984693723.db2.gz MWWISLOIXCMSEK-ACCUITESSA-N -1 0 315.413 3.965 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588953466 984695959 /nfs/dbraw/zinc/69/59/59/984695959.db2.gz RNUDNGZNVRKOAP-VSKPTYQZSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588955949 984700208 /nfs/dbraw/zinc/70/02/08/984700208.db2.gz DQOMRPDCIJVCAI-KAMYIIQDSA-N -1 0 315.413 3.774 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001588956265 984702369 /nfs/dbraw/zinc/70/23/69/984702369.db2.gz KCGAQJQPMLEOKO-WYMLVPIESA-N -1 0 307.434 3.663 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001588956273 984702740 /nfs/dbraw/zinc/70/27/40/984702740.db2.gz KSCGGGBISAAROP-FLIBITNWSA-N -1 0 322.430 3.577 20 0 DHADRM CCOC(=O)Nc1ccc(OCc2csc(C(=O)[O-])c2)cc1 ZINC001596667272 984734378 /nfs/dbraw/zinc/73/43/78/984734378.db2.gz WBTLGNKDDQKFFQ-UHFFFAOYSA-N -1 0 321.354 3.594 20 0 DHADRM C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])C1CCCCCC1 ZINC001599900857 984821808 /nfs/dbraw/zinc/82/18/08/984821808.db2.gz NMPHDWDJLHJUSS-AWEZNQCLSA-N -1 0 317.429 3.793 20 0 DHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCCC1 ZINC001599904548 984905730 /nfs/dbraw/zinc/90/57/30/984905730.db2.gz BBKDKIZBAVTKTM-TZYSRNFLSA-N -1 0 308.418 3.924 20 0 DHADRM C[C@@H]1C[C@@H](Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC001599905256 984913237 /nfs/dbraw/zinc/91/32/37/984913237.db2.gz CRRZQTWCHJXGRO-DDFAGTSDSA-N -1 0 305.399 3.967 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001589002786 984949522 /nfs/dbraw/zinc/94/95/22/984949522.db2.gz RYWHUIPSRWPOSE-MMRAYRKESA-N -1 0 321.804 3.598 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC001599908339 984952359 /nfs/dbraw/zinc/95/23/59/984952359.db2.gz UMXISQPNVYYCSS-BUXKBTBVSA-N -1 0 315.413 3.689 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2cccc(CC(=O)[O-])c2)C1(C)C ZINC001599908429 984952890 /nfs/dbraw/zinc/95/28/90/984952890.db2.gz ZOMUOGWFJMWEOD-SGTLLEGYSA-N -1 0 303.402 3.715 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001589003722 984955930 /nfs/dbraw/zinc/95/59/30/984955930.db2.gz JLLJFABBFBYLDD-WYMLVPIESA-N -1 0 324.380 3.952 20 0 DHADRM CCOC(=O)c1ccc(SCc2ccc(C(=O)[O-])o2)c(F)c1 ZINC001596729979 984992365 /nfs/dbraw/zinc/99/23/65/984992365.db2.gz ZLMRLAIQFUGYDU-UHFFFAOYSA-N -1 0 324.329 3.586 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCc2cc(Cl)ccc2C1 ZINC000191510495 1015088832 /nfs/dbraw/zinc/08/88/32/1015088832.db2.gz SGSQATDYKKLQHV-UHFFFAOYSA-N -1 0 323.726 3.522 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001589022445 985015712 /nfs/dbraw/zinc/01/57/12/985015712.db2.gz AYSPDKUXFWGDHU-QWHCGFSZSA-N -1 0 319.401 3.599 20 0 DHADRM CC(=O)[C@H](C)S[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589022693 985018294 /nfs/dbraw/zinc/01/82/94/985018294.db2.gz DIILNAOWROLHSM-GZMMTYOYSA-N -1 0 306.305 3.542 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000656738353 1015106697 /nfs/dbraw/zinc/10/66/97/1015106697.db2.gz UHJPNJLTLAEZIW-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM CCO[C@H](C)c1nc(CSCC(C)(C)C(=O)[O-])cs1 ZINC001596776131 985211848 /nfs/dbraw/zinc/21/18/48/985211848.db2.gz HAQWDXIZBRSYST-SECBINFHSA-N -1 0 303.449 3.585 20 0 DHADRM C[C@H]1Cc2ccccc2N(C(=O)CC2(C)CCCC2)[C@H]1C(=O)[O-] ZINC001599937422 985412797 /nfs/dbraw/zinc/41/27/97/985412797.db2.gz OZPVJCKKUHFBES-SUMWQHHRSA-N -1 0 315.413 3.635 20 0 DHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001599948982 985574994 /nfs/dbraw/zinc/57/49/94/985574994.db2.gz UTFXULGLPSNIHR-SNVBAGLBSA-N -1 0 321.373 3.832 20 0 DHADRM CCO[C@@H]1CCC[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001596852482 985584646 /nfs/dbraw/zinc/58/46/46/985584646.db2.gz CXBRZRNMDWCWNZ-WCXIOVBPSA-N -1 0 303.402 3.634 20 0 DHADRM Cc1[nH]c(C(=O)N2CCC(C)(C)CC(C)(C)C2)c(C)c1C(=O)[O-] ZINC001599950330 985598071 /nfs/dbraw/zinc/59/80/71/985598071.db2.gz HZAKIFYLAQXOKR-UHFFFAOYSA-N -1 0 320.433 3.618 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC001599956480 985696474 /nfs/dbraw/zinc/69/64/74/985696474.db2.gz DQSYFKWGDYHPEZ-UHFFFAOYSA-N -1 0 323.352 3.577 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001599956459 985696497 /nfs/dbraw/zinc/69/64/97/985696497.db2.gz CRNWCFALPVTHDY-UHFFFAOYSA-N -1 0 322.311 3.694 20 0 DHADRM Cc1sc(NC2CCC3(CC3(F)F)CC2)nc1C(=O)[O-] ZINC000656784869 1015159376 /nfs/dbraw/zinc/15/93/76/1015159376.db2.gz DJDQIEWOFOJBET-UHFFFAOYSA-N -1 0 302.346 3.530 20 0 DHADRM CC(=O)c1c(F)cccc1OCc1cc(C(=O)[O-])ccc1Cl ZINC001589253556 985875817 /nfs/dbraw/zinc/87/58/17/985875817.db2.gz MGIYIIRKDWBXIH-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1c(Cl)cccc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589255375 985891903 /nfs/dbraw/zinc/89/19/03/985891903.db2.gz TUVJYTRLDMREAF-LBPRGKRZSA-N -1 0 323.820 3.870 20 0 DHADRM Cc1nc(S[C@H](C)c2ccc(C(=O)[O-])o2)[nH]c(=O)c1C1CC1 ZINC001599965332 985893436 /nfs/dbraw/zinc/89/34/36/985893436.db2.gz AJLZUGZVVBERNF-MRVPVSSYSA-N -1 0 320.370 3.513 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OC[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001589268562 985955437 /nfs/dbraw/zinc/95/54/37/985955437.db2.gz UVLJFWRRWSYQDY-DGCLKSJQSA-N -1 0 310.777 3.812 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001599975564 986084928 /nfs/dbraw/zinc/08/49/28/986084928.db2.gz GDFBSFZZMLPMFK-LBPRGKRZSA-N -1 0 315.369 3.517 20 0 DHADRM Cc1c(C(=O)NCCCCC2(C(=O)[O-])CCC2)ccn1C(C)C ZINC001599980786 986159628 /nfs/dbraw/zinc/15/96/28/986159628.db2.gz RTFDLIKSFMKZEE-UHFFFAOYSA-N -1 0 320.433 3.532 20 0 DHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2O1 ZINC001594538317 986166896 /nfs/dbraw/zinc/16/68/96/986166896.db2.gz LYVFVYWYLPMWGE-LLVKDONJSA-N -1 0 317.772 3.826 20 0 DHADRM CCOc1c(Cl)cc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC001596993224 986282495 /nfs/dbraw/zinc/28/24/95/986282495.db2.gz ZDSQKVKPCBGPHE-SZEHBUNVSA-N -1 0 318.200 3.913 20 0 DHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1cc2ccccc2o1 ZINC001589381830 986466928 /nfs/dbraw/zinc/46/69/28/986466928.db2.gz SWKWBNJOFGWUPN-NHYWBVRUSA-N -1 0 317.385 3.542 20 0 DHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1cccs1 ZINC001589401414 986571841 /nfs/dbraw/zinc/57/18/41/986571841.db2.gz SLWSUUQKVQYPJT-JSGCOSHPSA-N -1 0 323.458 3.639 20 0 DHADRM C[C@H]1CSC(S[C@@H](C(=O)[O-])c2ccccc2Cl)=N1 ZINC001594611125 986603934 /nfs/dbraw/zinc/60/39/34/986603934.db2.gz YCAOOHMVWYAECW-OIBJUYFYSA-N -1 0 301.820 3.690 20 0 DHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001589414265 986628585 /nfs/dbraw/zinc/62/85/85/986628585.db2.gz CZTMQWRXQLLTMG-VIFPVBQESA-N -1 0 323.801 3.520 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001594615836 986634208 /nfs/dbraw/zinc/63/42/08/986634208.db2.gz RZTLBQCBFVVVEK-SNVBAGLBSA-N -1 0 309.793 3.509 20 0 DHADRM C[C@@H]1Cc2ccccc2N1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594623675 986677629 /nfs/dbraw/zinc/67/76/29/986677629.db2.gz HNHBWWVRROPCJQ-LLVKDONJSA-N -1 0 301.773 3.989 20 0 DHADRM C[C@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])C1CCCC1 ZINC001589430674 986720108 /nfs/dbraw/zinc/72/01/08/986720108.db2.gz UXFGFELKLSIVMS-QMMMGPOBSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001589431752 986731787 /nfs/dbraw/zinc/73/17/87/986731787.db2.gz MUCWXFBCBFNUIH-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC001589431800 986734078 /nfs/dbraw/zinc/73/40/78/986734078.db2.gz OPVVECZPAJICRT-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccco1 ZINC001589431910 986736351 /nfs/dbraw/zinc/73/63/51/986736351.db2.gz SBITURYAOHNJSI-LLVKDONJSA-N -1 0 309.321 3.873 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@@H](C)C(C)(C)C ZINC001589435501 986745680 /nfs/dbraw/zinc/74/56/80/986745680.db2.gz KISQIVCAONLJRY-GHMZBOCLSA-N -1 0 309.381 3.710 20 0 DHADRM CCOc1ccc(Cl)cc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC001597106792 986750176 /nfs/dbraw/zinc/75/01/76/986750176.db2.gz SANZYOUMFUQJIO-UHFFFAOYSA-N -1 0 323.776 3.628 20 0 DHADRM CCOc1ccc(NC(=O)C[C@H]2C=CCCC2)c(C(=O)[O-])c1F ZINC001597111596 986767688 /nfs/dbraw/zinc/76/76/88/986767688.db2.gz GTEQSIUCGIUEBX-NSHDSACASA-N -1 0 321.348 3.608 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccsc1 ZINC001589439612 986777292 /nfs/dbraw/zinc/77/72/92/986777292.db2.gz JNOCSTRJGNDAPJ-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589440206 986783342 /nfs/dbraw/zinc/78/33/42/986783342.db2.gz SARWWFMNUIBCIL-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001589440460 986786845 /nfs/dbraw/zinc/78/68/45/986786845.db2.gz XWYOIJNJCNCTRG-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM CCOc1cccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001597145288 986905324 /nfs/dbraw/zinc/90/53/24/986905324.db2.gz CBFVESRYDBOQQV-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC001597151187 986934763 /nfs/dbraw/zinc/93/47/63/986934763.db2.gz YQVFSRMPIAPAPW-WFASDCNBSA-N -1 0 308.374 3.581 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC001589470024 986951333 /nfs/dbraw/zinc/95/13/33/986951333.db2.gz UDNQTJKXGCSESW-ZANVPECISA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)C1CCC1 ZINC001589470691 986955567 /nfs/dbraw/zinc/95/55/67/986955567.db2.gz BGRGPNBBSRPWSO-YZPWEGTLSA-N -1 0 321.461 3.859 20 0 DHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1Cc1ccc(C(=O)[O-])cn1 ZINC001594665740 986960701 /nfs/dbraw/zinc/96/07/01/986960701.db2.gz KXDKLYMXRVATGY-NEPJUHHUSA-N -1 0 314.410 3.669 20 0 DHADRM CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597161720 986969093 /nfs/dbraw/zinc/96/90/93/986969093.db2.gz MAUOQAPWANADMH-HNNXBMFYSA-N -1 0 305.761 3.977 20 0 DHADRM C/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001594673647 986992683 /nfs/dbraw/zinc/99/26/83/986992683.db2.gz IJWJDJIKWCEGNX-QHKMVGIOSA-N -1 0 323.392 3.952 20 0 DHADRM C/C=C(/CC)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594676652 987007620 /nfs/dbraw/zinc/00/76/20/987007620.db2.gz RFQNCHXYENSMKN-KNVNGTOESA-N -1 0 316.275 3.888 20 0 DHADRM C/C=C(\C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001594676708 987008553 /nfs/dbraw/zinc/00/85/53/987008553.db2.gz CCAOKBTUSMQBGY-ONNFQVAWSA-N -1 0 313.353 3.854 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001594686571 987067040 /nfs/dbraw/zinc/06/70/40/987067040.db2.gz YRKATJKUTXNNBA-XQJDBVBESA-N -1 0 302.374 3.595 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccsc2)cc1 ZINC001589502711 987105471 /nfs/dbraw/zinc/10/54/71/987105471.db2.gz IKLGTFCIQNOBQE-HVUAZKLTSA-N -1 0 301.367 3.588 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc[nH]c2C2CCC2)cc1 ZINC001589521030 987163670 /nfs/dbraw/zinc/16/36/70/987163670.db2.gz GYCICAMQPVPRGJ-NSHDSACASA-N -1 0 312.369 3.723 20 0 DHADRM CCC(=O)Nc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001594713156 987180385 /nfs/dbraw/zinc/18/03/85/987180385.db2.gz GQPWZDRZOMMJFS-UHFFFAOYSA-N -1 0 319.748 3.525 20 0 DHADRM CCC(=O)c1ccc(Oc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001594721170 987203457 /nfs/dbraw/zinc/20/34/57/987203457.db2.gz SPAXANCDRQLECR-UHFFFAOYSA-N -1 0 311.746 3.880 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCCc2ccc(F)c(F)c2)c1 ZINC001589532304 987213144 /nfs/dbraw/zinc/21/31/44/987213144.db2.gz PLZJVALQXPBCEW-NSHDSACASA-N -1 0 305.324 3.808 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(F)c(F)c2)c1 ZINC001589532491 987214625 /nfs/dbraw/zinc/21/46/25/987214625.db2.gz DZCSFRIQQYMHNO-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc(F)cc2)c1 ZINC001589533182 987223416 /nfs/dbraw/zinc/22/34/16/987223416.db2.gz INNFMNUQGSFQGH-LBPRGKRZSA-N -1 0 315.344 3.585 20 0 DHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C1CCC(C)CC1 ZINC001594729235 987240890 /nfs/dbraw/zinc/24/08/90/987240890.db2.gz PDCGQRYIFTYPOT-CVSAEHQPSA-N -1 0 311.466 3.845 20 0 DHADRM C[C@@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC001589540607 987245773 /nfs/dbraw/zinc/24/57/73/987245773.db2.gz MROFMIFPGPCGSN-NOZJJQNGSA-N -1 0 314.328 3.501 20 0 DHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)cc1 ZINC001589540842 987248265 /nfs/dbraw/zinc/24/82/65/987248265.db2.gz SGTDLNKGXJWFJU-RNCFNFMXSA-N -1 0 324.785 3.874 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC001589540932 987249133 /nfs/dbraw/zinc/24/91/33/987249133.db2.gz USNMBOCDGVKGDK-ZANVPECISA-N -1 0 324.785 3.874 20 0 DHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001589541047 987251084 /nfs/dbraw/zinc/25/10/84/987251084.db2.gz XIAZNFFYQLFZGR-KRTXAFLBSA-N -1 0 317.168 3.503 20 0 DHADRM CC[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001594733499 987254852 /nfs/dbraw/zinc/25/48/52/987254852.db2.gz BSNIRJYFFNDYSY-DLBZAZTESA-N -1 0 317.429 3.578 20 0 DHADRM CC[C@@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)C1CCC(C)CC1 ZINC001594735611 987270448 /nfs/dbraw/zinc/27/04/48/987270448.db2.gz NOQMKJATTRKWAS-QEWOUOOISA-N -1 0 324.446 3.941 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001589547462 987270561 /nfs/dbraw/zinc/27/05/61/987270561.db2.gz OLUNLNRWQAVNFJ-SFYZADRCSA-N -1 0 305.157 3.503 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)[C@@H](C)C(C)(C)C ZINC001589553878 987295167 /nfs/dbraw/zinc/29/51/67/987295167.db2.gz URNKPIODCZXOCH-GHMZBOCLSA-N -1 0 310.365 3.677 20 0 DHADRM CCSCc1ccnc(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001597266846 987298306 /nfs/dbraw/zinc/29/83/06/987298306.db2.gz BSJLLDVVHQSKRC-UHFFFAOYSA-N -1 0 316.426 3.953 20 0 DHADRM CCSc1cccc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001597277245 987333823 /nfs/dbraw/zinc/33/38/23/987333823.db2.gz KSMOCLVXECVARD-CYBMUJFWSA-N -1 0 317.414 3.640 20 0 DHADRM CCSc1nnc(S[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001597278927 987337814 /nfs/dbraw/zinc/33/78/14/987337814.db2.gz AAOPAYTWKCLASQ-VIFPVBQESA-N -1 0 312.441 3.568 20 0 DHADRM CCSc1ccccc1OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001597279724 987344198 /nfs/dbraw/zinc/34/41/98/987344198.db2.gz JSRZPTASPQUGGL-BQYQJAHWSA-N -1 0 318.350 3.709 20 0 DHADRM CC(C)(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(F)F ZINC001589582891 987367460 /nfs/dbraw/zinc/36/74/60/987367460.db2.gz YEEFVKZTELNNDK-UHFFFAOYSA-N -1 0 313.325 3.829 20 0 DHADRM C[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001589616663 987482758 /nfs/dbraw/zinc/48/27/58/987482758.db2.gz NGSDINSETMOYDJ-KOMQPUFPSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)OCc2cc(C(=O)[O-])ccc2C)CC1 ZINC001597354943 987498763 /nfs/dbraw/zinc/49/87/63/987498763.db2.gz SQWLTNVGVCIVKY-HDJSIYSDSA-N -1 0 304.386 3.953 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)CC1 ZINC001597355041 987500719 /nfs/dbraw/zinc/50/07/19/987500719.db2.gz YXQARIYSNAVJMG-JOCQHMNTSA-N -1 0 318.369 3.709 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N(C)c2c(OC)cccc2C(=O)[O-])CC1 ZINC001597355449 987501563 /nfs/dbraw/zinc/50/15/63/987501563.db2.gz GBZOGLOKPYJJEW-JOCQHMNTSA-N -1 0 319.401 3.573 20 0 DHADRM CCc1[nH]c(CN(C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380804 987580354 /nfs/dbraw/zinc/58/03/54/987580354.db2.gz YUVBVZBJBJUIAF-SNVBAGLBSA-N -1 0 322.355 3.747 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C\c2cccs2)c1 ZINC001589650992 987600131 /nfs/dbraw/zinc/60/01/31/987600131.db2.gz RYETTWAVADCFHI-HJWRWDBZSA-N -1 0 316.378 3.729 20 0 DHADRM CC(C)(C(=O)OCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001589680783 987706463 /nfs/dbraw/zinc/70/64/63/987706463.db2.gz GCSLHFHJAZOFJL-UHFFFAOYSA-N -1 0 312.793 3.806 20 0 DHADRM CC(C)(C(=O)OCCCCC(=O)[O-])c1cccc(Cl)c1F ZINC001589680779 987706511 /nfs/dbraw/zinc/70/65/11/987706511.db2.gz FRLBNMFYPHWCLE-UHFFFAOYSA-N -1 0 316.756 3.555 20 0 DHADRM CC(C)(C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001589681128 987709942 /nfs/dbraw/zinc/70/99/42/987709942.db2.gz TWAWULUDJVUIET-HNNXBMFYSA-N -1 0 302.370 3.742 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCC(=O)C(C)(C)C ZINC001597449519 987833308 /nfs/dbraw/zinc/83/33/08/987833308.db2.gz FQQWIINOEAMLLY-UHFFFAOYSA-N -1 0 319.401 3.671 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccsc1 ZINC001597450620 987840695 /nfs/dbraw/zinc/84/06/95/987840695.db2.gz ZFRHBOXYCMQXOG-UTCJRWHESA-N -1 0 301.367 3.661 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC001597451528 987842765 /nfs/dbraw/zinc/84/27/65/987842765.db2.gz FIXSBFYOWCCYIQ-SWLSCSKDSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1(C)CCCCC1 ZINC001597456419 987860989 /nfs/dbraw/zinc/86/09/89/987860989.db2.gz BQNQCOKKRVRTRK-UHFFFAOYSA-N -1 0 304.390 3.792 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C(C)(C)CC ZINC001597456511 987862159 /nfs/dbraw/zinc/86/21/59/987862159.db2.gz FSVPWJUQPOGXGV-LLVKDONJSA-N -1 0 306.406 3.893 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1=CCCCC1 ZINC001597456702 987864866 /nfs/dbraw/zinc/86/48/66/987864866.db2.gz AMWVUKSEBYMMRT-UHFFFAOYSA-N -1 0 302.374 3.569 20 0 DHADRM CC(C)(C)[C@H](NCc1nc(C2CCCCC2)cs1)C(=O)[O-] ZINC001589721045 987886102 /nfs/dbraw/zinc/88/61/02/987886102.db2.gz WHLVRJYYHKWUGZ-CQSZACIVSA-N -1 0 310.463 3.780 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccsc1Cl ZINC001597464057 987896323 /nfs/dbraw/zinc/89/63/23/987896323.db2.gz MEMOBBQZNXFOSF-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001589726743 987912759 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CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001589729108 987939671 /nfs/dbraw/zinc/93/96/71/987939671.db2.gz SPTRYROGEMAMJG-GBJTYRQASA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589729151 987940813 /nfs/dbraw/zinc/94/08/13/987940813.db2.gz UGSCWEOREZGTAF-YPMHNXCESA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589729496 987945145 /nfs/dbraw/zinc/94/51/45/987945145.db2.gz ZHWGKDKBDXRUMI-HOTGVXAUSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589729497 987945191 /nfs/dbraw/zinc/94/51/91/987945191.db2.gz ZHWGKDKBDXRUMI-HZPDHXFCSA-N -1 0 317.429 3.967 20 0 DHADRM CS[C@H]1CC[C@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788972 987974665 /nfs/dbraw/zinc/97/46/65/987974665.db2.gz LUJKWDMUFOWDHV-ZBFHGGJFSA-N -1 0 320.458 3.681 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC001589745236 988035788 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ZINC001590621493 990301731 /nfs/dbraw/zinc/30/17/31/990301731.db2.gz AWNQHOFSIMTJHI-UHFFFAOYSA-N -1 0 304.390 3.715 20 0 DHADRM CC(C)(CC(=O)Nc1ccsc1C(=O)[O-])CC(F)(F)F ZINC001590621602 990303082 /nfs/dbraw/zinc/30/30/82/990303082.db2.gz IAEBDULQGKRINQ-UHFFFAOYSA-N -1 0 309.309 3.754 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001590621976 990304847 /nfs/dbraw/zinc/30/48/47/990304847.db2.gz XQAAGRGQMSMVSZ-UHFFFAOYSA-N -1 0 321.373 3.892 20 0 DHADRM CC(C)(CC(F)F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001590654928 990350552 /nfs/dbraw/zinc/35/05/52/990350552.db2.gz ZKUZGLLXCZEKRF-UHFFFAOYSA-N -1 0 306.692 3.625 20 0 DHADRM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC001598068083 990363054 /nfs/dbraw/zinc/36/30/54/990363054.db2.gz JJGONXWHNFBICN-SSHXOBKSSA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)(CCOC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC001590694635 990413717 /nfs/dbraw/zinc/41/37/17/990413717.db2.gz WCIUXMVSXVCTFI-SHTZXODSSA-N -1 0 318.413 3.789 20 0 DHADRM CN(C(=O)c1ccccc1C(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598094062 990444770 /nfs/dbraw/zinc/44/47/70/990444770.db2.gz XYLHDTRSZLQVHG-AWEZNQCLSA-N -1 0 319.307 3.522 20 0 DHADRM CC(C)(CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CCCCC1 ZINC001590749332 990547811 /nfs/dbraw/zinc/54/78/11/990547811.db2.gz LSMOTMNZKFIXOV-PKNBQFBNSA-N -1 0 319.401 3.714 20 0 DHADRM CC(C)(CSCc1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC001590820651 990656710 /nfs/dbraw/zinc/65/67/10/990656710.db2.gz XWVXLCLLOBKXCV-UHFFFAOYSA-N -1 0 314.357 3.775 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001590822013 990661327 /nfs/dbraw/zinc/66/13/27/990661327.db2.gz PGWDEWQHYJZOKV-UHFFFAOYSA-N -1 0 323.392 3.543 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1(C)C ZINC001590914199 990895852 /nfs/dbraw/zinc/89/58/52/990895852.db2.gz BUZLIGZTKBYPDQ-HUUCEWRRSA-N -1 0 323.477 3.820 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001590914961 990901076 /nfs/dbraw/zinc/90/10/76/990901076.db2.gz MWQHCHGRHRPXPF-RBSFLKMASA-N -1 0 302.370 3.594 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001590922195 990918448 /nfs/dbraw/zinc/91/84/48/990918448.db2.gz TWZPYCFRIDBVFW-ZDUSSCGKSA-N -1 0 304.390 3.570 20 0 DHADRM O=C(NCC1(C(F)(F)F)CCCC1)c1ccc([O-])c(Cl)c1 ZINC000629461775 1032120466 /nfs/dbraw/zinc/12/04/66/1032120466.db2.gz BAQSNJZCQQVBBO-UHFFFAOYSA-N -1 0 321.726 3.898 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001590948558 990996036 /nfs/dbraw/zinc/99/60/36/990996036.db2.gz FXZPVXPNXUFMJH-LLVKDONJSA-N -1 0 316.357 3.745 20 0 DHADRM CC(C)C(C)(C)CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001590963155 991063014 /nfs/dbraw/zinc/06/30/14/991063014.db2.gz ANZZIPHLHGCRFB-UHFFFAOYSA-N -1 0 317.389 3.670 20 0 DHADRM COc1ccccc1C(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001599696622 991158122 /nfs/dbraw/zinc/15/81/22/991158122.db2.gz GTFGZWQYULRAKG-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COc1ccccc1C(C)(C)CNc1nc(C(=O)[O-])c(C)s1 ZINC001599696647 991158134 /nfs/dbraw/zinc/15/81/34/991158134.db2.gz ARINVUBFLLRRJI-UHFFFAOYSA-N -1 0 320.414 3.548 20 0 DHADRM COc1ccccc1[C@@H](C)N(Cc1ccsc1C(=O)[O-])OC ZINC001599699385 991195488 /nfs/dbraw/zinc/19/54/88/991195488.db2.gz ZEMJXILJBNPRAL-LLVKDONJSA-N -1 0 321.398 3.580 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001590992812 991207861 /nfs/dbraw/zinc/20/78/61/991207861.db2.gz ABWJJJMWQZNVAQ-OFLPRAFFSA-N -1 0 318.413 3.688 20 0 DHADRM CC(C)[C@H](F)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001590995809 991222801 /nfs/dbraw/zinc/22/28/01/991222801.db2.gz FBSZRZGTUHTRLG-QWRGUYRKSA-N -1 0 323.147 3.656 20 0 DHADRM CN(C)c1cc(NCc2ccc(/C=C\C(=O)[O-])o2)ccc1Cl ZINC001598308134 991280985 /nfs/dbraw/zinc/28/09/85/991280985.db2.gz YRJGWBIECYPISZ-VURMDHGXSA-N -1 0 320.776 3.709 20 0 DHADRM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001591019095 991301513 /nfs/dbraw/zinc/30/15/13/991301513.db2.gz BMISBDHQGHIJPP-MRXNPFEDSA-N -1 0 315.344 3.651 20 0 DHADRM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001591019174 991302489 /nfs/dbraw/zinc/30/24/89/991302489.db2.gz GRQHYMFQGRJKGW-MRXNPFEDSA-N -1 0 315.344 3.651 20 0 DHADRM CC(C)[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1Cl ZINC001591035934 991358948 /nfs/dbraw/zinc/35/89/48/991358948.db2.gz LWBVLLVPOALANM-CQSZACIVSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)[C@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1Cl ZINC001591035933 991359063 /nfs/dbraw/zinc/35/90/63/991359063.db2.gz LWBVLLVPOALANM-AWEZNQCLSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)[C@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1CC1 ZINC001591036022 991360214 /nfs/dbraw/zinc/36/02/14/991360214.db2.gz ONLDIGLPMXMSPW-LBPRGKRZSA-N -1 0 302.296 3.645 20 0 DHADRM CC(C)[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)NC1CCCC1 ZINC001591051471 991451259 /nfs/dbraw/zinc/45/12/59/991451259.db2.gz DMSQFOAJJVDYKJ-OAHLLOKOSA-N -1 0 321.442 3.560 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001591061092 991496586 /nfs/dbraw/zinc/49/65/86/991496586.db2.gz CZVLTCPYOUPCKT-KBXCAEBGSA-N -1 0 312.369 3.554 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001591080032 991578608 /nfs/dbraw/zinc/57/86/08/991578608.db2.gz NGFNZUYDZMPYRD-VXGBXAGGSA-N -1 0 303.383 3.830 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001591088245 991620602 /nfs/dbraw/zinc/62/06/02/991620602.db2.gz FWMAFRVIBZDTAQ-PAZCZOEESA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001591088661 991623349 /nfs/dbraw/zinc/62/33/49/991623349.db2.gz JLEWUKKESVUHLZ-VXGBXAGGSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)[C@H]1CCC[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1 ZINC001591089013 991628189 /nfs/dbraw/zinc/62/81/89/991628189.db2.gz ORAQNMFXNPTHOB-ZFWWWQNUSA-N -1 0 315.417 3.748 20 0 DHADRM COc1nc(N[C@@H](C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC001599731724 991719260 /nfs/dbraw/zinc/71/92/60/991719260.db2.gz IQCUORFBVZDNGQ-VIFPVBQESA-N -1 0 306.749 3.615 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2ccccc2C(=O)[O-])CC12CCCCC2 ZINC001591100354 991722935 /nfs/dbraw/zinc/72/29/35/991722935.db2.gz WLMRCMFMWXCQDY-MRXNPFEDSA-N -1 0 315.413 3.816 20 0 DHADRM CC(C)C[C@@H](C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001591131089 991824880 /nfs/dbraw/zinc/82/48/80/991824880.db2.gz PLNIQNSFMAECDR-GFCCVEGCSA-N -1 0 309.431 3.874 20 0 DHADRM CC(C)C[C@H](C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001591137503 991843559 /nfs/dbraw/zinc/84/35/59/991843559.db2.gz DFWOSFKTPNFSSM-FZMZJTMJSA-N -1 0 311.353 3.502 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001591143783 991872957 /nfs/dbraw/zinc/87/29/57/991872957.db2.gz VEPUMUJQCAFDIS-MRXNPFEDSA-N -1 0 311.466 3.845 20 0 DHADRM CC(C)C[C@@]1(C)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591191933 992005296 /nfs/dbraw/zinc/00/52/96/992005296.db2.gz IVKQMYOQNPZJJM-QGZVFWFLSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)CCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591214262 992069551 /nfs/dbraw/zinc/06/95/51/992069551.db2.gz WPSDPGWJWWBMPM-UHFFFAOYSA-N -1 0 318.398 3.883 20 0 DHADRM CC[C@H]1c2ccsc2CCN1C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000320298876 1015682544 /nfs/dbraw/zinc/68/25/44/1015682544.db2.gz BNCKBBXTLCJTSJ-AWEZNQCLSA-N -1 0 319.426 3.539 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001591227170 992098204 /nfs/dbraw/zinc/09/82/04/992098204.db2.gz DSIYMMJFKDQXPV-JSGCOSHPSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CCC[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591229280 992110146 /nfs/dbraw/zinc/11/01/46/992110146.db2.gz OTDZFFIDIQSCEY-AWEZNQCLSA-N -1 0 305.418 3.648 20 0 DHADRM CC(C)CCCCNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001591236329 992116567 /nfs/dbraw/zinc/11/65/67/992116567.db2.gz CMFHWURJXXTRFK-AWEZNQCLSA-N -1 0 320.433 3.898 20 0 DHADRM CC(C)CCCCCC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001591236556 992117712 /nfs/dbraw/zinc/11/77/12/992117712.db2.gz KPYJPGMMZCKNKR-UHFFFAOYSA-N -1 0 312.797 3.978 20 0 DHADRM CC(C)CCOC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591251737 992149256 /nfs/dbraw/zinc/14/92/56/992149256.db2.gz NOAGENJYJPMPBE-OAHLLOKOSA-N -1 0 313.438 3.963 20 0 DHADRM CC(C)CCc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001591266505 992180719 /nfs/dbraw/zinc/18/07/19/992180719.db2.gz IQYQWQKIIUJVFZ-UHFFFAOYSA-N -1 0 318.417 3.794 20 0 DHADRM CC(C)CN(C(=O)c1cscc1C(F)F)C(C)(C)C(=O)[O-] ZINC001591284624 992219576 /nfs/dbraw/zinc/21/95/76/992219576.db2.gz BLZSESJCUPRJGG-UHFFFAOYSA-N -1 0 319.373 3.647 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1c(Cl)oc2ccccc21 ZINC001591324155 992298657 /nfs/dbraw/zinc/29/86/57/992298657.db2.gz DGNFLWQTALZUAD-UHFFFAOYSA-N -1 0 323.776 3.659 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2ccccc2cc1F ZINC001591324217 992299157 /nfs/dbraw/zinc/29/91/57/992299157.db2.gz MAKLJQQDFXAQBP-UHFFFAOYSA-N -1 0 317.360 3.552 20 0 DHADRM CS[C@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccccc1 ZINC001599780751 992360478 /nfs/dbraw/zinc/36/04/78/992360478.db2.gz JUSNSWWCNFGNRQ-ZDUSSCGKSA-N -1 0 322.407 3.594 20 0 DHADRM CN(Cc1cc(-c2ccccc2)no1)c1ccccc1C(=O)[O-] ZINC001598505091 992492836 /nfs/dbraw/zinc/49/28/36/992492836.db2.gz YYJUENSMOABZEX-UHFFFAOYSA-N -1 0 308.337 3.676 20 0 DHADRM CN(Cc1cc(C(=O)[O-])ccc1Cl)c1c(F)cccc1F ZINC001598506713 992514113 /nfs/dbraw/zinc/51/41/13/992514113.db2.gz FTUMMUOKZIIZAZ-UHFFFAOYSA-N -1 0 311.715 3.953 20 0 DHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598508562 992537217 /nfs/dbraw/zinc/53/72/17/992537217.db2.gz OUEAJMWGNRAROX-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001591444711 992542576 /nfs/dbraw/zinc/54/25/76/992542576.db2.gz PMKRXRREKJIYSG-NXEZZACHSA-N -1 0 310.419 3.585 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C2CC2)cc1 ZINC001598512524 992578919 /nfs/dbraw/zinc/57/89/19/992578919.db2.gz MDLOSHBJDIWBJS-UHFFFAOYSA-N -1 0 324.380 3.926 20 0 DHADRM CC(C)Cc1ccc(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)s1 ZINC001591476981 992595599 /nfs/dbraw/zinc/59/55/99/992595599.db2.gz CNPNNQQEDJMVMU-VXGBXAGGSA-N -1 0 323.458 3.660 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cn1)[C@@H](c1ccccc1)C(F)(F)F ZINC001598515591 992614096 /nfs/dbraw/zinc/61/40/96/992614096.db2.gz NCCKXYQNGJAHQK-AWEZNQCLSA-N -1 0 324.302 3.515 20 0 DHADRM CN(Cc1ccc(F)c(Cl)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598517591 992635998 /nfs/dbraw/zinc/63/59/98/992635998.db2.gz OCLAABWAVSZINV-ZDUSSCGKSA-N -1 0 313.781 3.798 20 0 DHADRM CN(Cc1ccc(F)c2cccnc12)c1ccccc1C(=O)[O-] ZINC001598518701 992651177 /nfs/dbraw/zinc/65/11/77/992651177.db2.gz UVTWAMSKQWAGSQ-UHFFFAOYSA-N -1 0 310.328 3.709 20 0 DHADRM CC(C)Cn1ncc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1C1CC1 ZINC001591533540 992710909 /nfs/dbraw/zinc/71/09/09/992710909.db2.gz LNOAZTDLKHNBCU-AEGPPILISA-N -1 0 319.449 3.718 20 0 DHADRM CC(C)N(C(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591542980 992724658 /nfs/dbraw/zinc/72/46/58/992724658.db2.gz UPHKYJPXIDQBQD-UHFFFAOYSA-N -1 0 324.789 3.550 20 0 DHADRM CN(Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598530286 992771295 /nfs/dbraw/zinc/77/12/95/992771295.db2.gz SVLCNIUPQMJHCK-UHFFFAOYSA-N -1 0 307.752 3.809 20 0 DHADRM CN(Cc1cnc(C(C)(C)C)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533753 992822627 /nfs/dbraw/zinc/82/26/27/992822627.db2.gz WTFUXLXNVYXFJS-CQSZACIVSA-N -1 0 318.442 3.698 20 0 DHADRM CN(Cc1ccsc1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598534121 992829486 /nfs/dbraw/zinc/82/94/86/992829486.db2.gz PGGYSZBVJDXAPU-CYBMUJFWSA-N -1 0 313.781 3.798 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)C1CCC(C)(C)CC1 ZINC000262341320 1015795162 /nfs/dbraw/zinc/79/51/62/1015795162.db2.gz GFGUTUBVPNOZDB-UHFFFAOYSA-N -1 0 307.365 3.565 20 0 DHADRM C[C@@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CCC1 ZINC001593109617 993775328 /nfs/dbraw/zinc/77/53/28/993775328.db2.gz PNIIVYGHBIPTFY-LLVKDONJSA-N -1 0 312.369 3.848 20 0 DHADRM COc1ccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1SC ZINC001599599063 993788871 /nfs/dbraw/zinc/78/88/71/993788871.db2.gz CSXBOOZZYGIKSH-JTQLQIEISA-N -1 0 318.398 3.683 20 0 DHADRM C[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CCC1 ZINC001593118996 993834555 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QPZJETHHTGSJSQ-ZIAGYGMSSA-N -1 0 307.390 3.542 20 0 DHADRM CO[C@H]1C[C@@H](CNc2ccc(Cl)c(C(=O)[O-])c2Cl)C1 ZINC001599325611 997657360 /nfs/dbraw/zinc/65/73/60/997657360.db2.gz BTFTWSGEHXKSAJ-OCAPTIKFSA-N -1 0 304.173 3.529 20 0 DHADRM COCCCCSCc1ccc(C(=O)[O-])c2cccnc12 ZINC001599222452 997695465 /nfs/dbraw/zinc/69/54/65/997695465.db2.gz HKKSVVQRIBRHBR-UHFFFAOYSA-N -1 0 305.399 3.593 20 0 DHADRM CC1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCCC1 ZINC001594057759 997813083 /nfs/dbraw/zinc/81/30/83/997813083.db2.gz OHGISKQNQBLWHR-LSDHHAIUSA-N -1 0 316.401 3.719 20 0 DHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C)(C)CC(C)C ZINC001599541994 997859678 /nfs/dbraw/zinc/85/96/78/997859678.db2.gz HWPFQKIYLWKQHK-CLFYSBASSA-N -1 0 320.385 3.771 20 0 DHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C(C)(C)CC(C)C ZINC001599542001 997859732 /nfs/dbraw/zinc/85/97/32/997859732.db2.gz HWPFQKIYLWKQHK-VQHVLOKHSA-N -1 0 320.385 3.771 20 0 DHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ncnc2ccccc21 ZINC001599545799 997920248 /nfs/dbraw/zinc/92/02/48/997920248.db2.gz IRHGEQLUMOASTH-VQHVLOKHSA-N -1 0 322.320 3.529 20 0 DHADRM COc1cc(NC(=O)Nc2cc(C(=O)[O-])cs2)c(C)cc1C ZINC001599440795 997925922 /nfs/dbraw/zinc/92/59/22/997925922.db2.gz FTVAIXSPUDHOKW-UHFFFAOYSA-N -1 0 320.370 3.716 20 0 DHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)O[C@H](C)CC(C)C ZINC001599547740 997952456 /nfs/dbraw/zinc/95/24/56/997952456.db2.gz XCTFSSICYDSRRA-XYLWRLHESA-N -1 0 322.357 3.743 20 0 DHADRM COc1cc(NCc2ccc(Cl)cc2C)ccc1C(=O)[O-] ZINC001599443944 997976336 /nfs/dbraw/zinc/97/63/36/997976336.db2.gz RGKFEWHRGLXYBN-UHFFFAOYSA-N -1 0 305.761 3.967 20 0 DHADRM COc1cc(O[C@H](C)c2ncc(C(C)(C)C)o2)ccc1C(=O)[O-] ZINC001599447758 998037229 /nfs/dbraw/zinc/03/72/29/998037229.db2.gz VWZYBJVRPYFISC-SNVBAGLBSA-N -1 0 319.357 3.819 20 0 DHADRM COc1cc(OC)cc([C@@H](SCCCC(C)C)C(=O)[O-])c1 ZINC001599452153 998123166 /nfs/dbraw/zinc/12/31/66/998123166.db2.gz WZHPDVPDFDVPMV-OAHLLOKOSA-N -1 0 312.431 3.999 20 0 DHADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCCc3cc(Cl)cc(C)c32)O1 ZINC001594103028 998123888 /nfs/dbraw/zinc/12/38/88/998123888.db2.gz IGWGGWQQKHPWIV-AWEZNQCLSA-N -1 0 321.804 3.549 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001594109073 998189596 /nfs/dbraw/zinc/18/95/96/998189596.db2.gz DMHOVDDGWWKUNQ-SFHVURJKSA-N -1 0 319.376 3.918 20 0 DHADRM CC1=C(C)C[C@](C)(C(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001594109466 998194385 /nfs/dbraw/zinc/19/43/85/998194385.db2.gz JIHPZKZLKPMJOK-QGZVFWFLSA-N -1 0 307.434 3.664 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC001594109802 998197557 /nfs/dbraw/zinc/19/75/57/998197557.db2.gz LOPSHNNRHBCNRE-APWZRJJASA-N -1 0 321.461 3.910 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC001594109855 998198837 /nfs/dbraw/zinc/19/88/37/998198837.db2.gz MSBDCKHSHQFAAW-HOCLYGCPSA-N -1 0 319.376 3.594 20 0 DHADRM CC1=C(C)C[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001594109970 998201934 /nfs/dbraw/zinc/20/19/34/998201934.db2.gz NBJNWKBCBSAAOG-OAHLLOKOSA-N -1 0 301.386 3.779 20 0 DHADRM CC1=C(C)C[C@H](C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1 ZINC001594110236 998207228 /nfs/dbraw/zinc/20/72/28/998207228.db2.gz RWWXAKRCXIFLAM-UKRRQHHQSA-N -1 0 301.386 3.950 20 0 DHADRM CC1=CC[C@](C)(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001594113310 998223476 /nfs/dbraw/zinc/22/34/76/998223476.db2.gz JWKOTFMHOSENAI-INIZCTEOSA-N -1 0 309.312 3.738 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001594113918 998231736 /nfs/dbraw/zinc/23/17/36/998231736.db2.gz SVPXYNAVEFGGDZ-MRXNPFEDSA-N -1 0 309.312 3.738 20 0 DHADRM COc1cc(C(=O)[O-])cc(NC[C@H]2C(C)=CCC[C@@H]2C)c1OC ZINC001599362217 998279118 /nfs/dbraw/zinc/27/91/18/998279118.db2.gz HHBWSMXBEUOQDV-JSGCOSHPSA-N -1 0 319.401 3.806 20 0 DHADRM C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC001594136383 998379295 /nfs/dbraw/zinc/37/92/95/998379295.db2.gz OOCHXARKFCHYKY-CIISACIHSA-N -1 0 313.328 3.512 20 0 DHADRM COc1ccc(CNc2ccc(C(=O)[O-])nc2)c2ccccc12 ZINC001599573723 998407473 /nfs/dbraw/zinc/40/74/73/998407473.db2.gz JZHXWEJZOVZUAN-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM COc1cc(C(=O)[O-])ccc1N[C@H](C)CCc1ccccc1F ZINC001599374846 998469421 /nfs/dbraw/zinc/46/94/21/998469421.db2.gz ARJYMOFJPWWLII-GFCCVEGCSA-N -1 0 317.360 3.966 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001599377590 998511649 /nfs/dbraw/zinc/51/16/49/998511649.db2.gz GCZYODYEDTZCKT-QWRGUYRKSA-N -1 0 308.374 3.617 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCCC1(C)C ZINC001599378284 998524368 /nfs/dbraw/zinc/52/43/68/998524368.db2.gz JXKGZTKPSSBOFH-ZDUSSCGKSA-N -1 0 320.385 3.905 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccccc1C(C)C ZINC001599378905 998535166 /nfs/dbraw/zinc/53/51/66/998535166.db2.gz VNVUWPOGOBBBRE-UHFFFAOYSA-N -1 0 314.337 3.736 20 0 DHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001594158655 998588615 /nfs/dbraw/zinc/58/86/15/998588615.db2.gz KWQOAQUNXSOIOS-PWSUYJOCSA-N -1 0 323.820 3.573 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OCC2CC2)cc1 ZINC001594186128 998720774 /nfs/dbraw/zinc/72/07/74/998720774.db2.gz UMXBYNRMEYWCCJ-MRRJBJDNSA-N -1 0 303.402 3.777 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001594213758 998824216 /nfs/dbraw/zinc/82/42/16/998824216.db2.gz GAQKCBFJTDLWPV-DGCLKSJQSA-N -1 0 321.392 3.811 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001594214744 998827423 /nfs/dbraw/zinc/82/74/23/998827423.db2.gz MWQSNKSVIWLJHP-IUODEOHRSA-N -1 0 303.402 3.672 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001594216847 998834702 /nfs/dbraw/zinc/83/47/02/998834702.db2.gz XXURBJYHOBBCPQ-ZIAGYGMSSA-N -1 0 321.461 3.695 20 0 DHADRM C[C@@H]1CC(C(=O)NC2(CCC(=O)[O-])CCCCC2)C[C@@H](C)C1 ZINC001594220143 998846492 /nfs/dbraw/zinc/84/64/92/998846492.db2.gz WWXGBXDLXXATQX-KBPBESRZSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H]1CC(C(=O)NC2(CCC(=O)[O-])CCCCC2)C[C@H](C)C1 ZINC001594220144 998846724 /nfs/dbraw/zinc/84/67/24/998846724.db2.gz WWXGBXDLXXATQX-ZIAGYGMSSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594231533 998880499 /nfs/dbraw/zinc/88/04/99/998880499.db2.gz UWBLJJFAEQLVPC-NWDGAFQWSA-N -1 0 312.369 3.800 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)CC(C)(C)C1 ZINC001594233463 998890091 /nfs/dbraw/zinc/89/00/91/998890091.db2.gz WVOVEDHGCVJBKR-RDBSUJKOSA-N -1 0 311.466 3.845 20 0 DHADRM C[C@H]1CC[C@@](NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)(C(=O)[O-])CC1 ZINC001594233739 998891356 /nfs/dbraw/zinc/89/13/56/998891356.db2.gz ZVWMIFBMHAWDSJ-BKEDOTJMSA-N -1 0 323.477 3.989 20 0 DHADRM CC1CC(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001594239328 998912963 /nfs/dbraw/zinc/91/29/63/998912963.db2.gz OODWSZOCGWNFNK-UHFFFAOYSA-N -1 0 318.398 3.767 20 0 DHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001594287153 999110892 /nfs/dbraw/zinc/11/08/92/999110892.db2.gz UVFNCGIXNMLSIU-HJQYOEGKSA-N -1 0 307.777 3.659 20 0 DHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001594287154 999110974 /nfs/dbraw/zinc/11/09/74/999110974.db2.gz UVFNCGIXNMLSIU-HKWIRBFKSA-N -1 0 307.777 3.659 20 0 DHADRM C[C@H]1CC/C(=C\C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001594290204 999117246 /nfs/dbraw/zinc/11/72/46/999117246.db2.gz FJSIOAHNFZPVME-SERMCNLOSA-N -1 0 310.353 3.618 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC001594290899 999120448 /nfs/dbraw/zinc/12/04/48/999120448.db2.gz MQSGRUCZECJNEH-APRATOBCSA-N -1 0 307.434 3.520 20 0 DHADRM C[C@@H]1CC=CC[C@@H]1COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594291823 999125311 /nfs/dbraw/zinc/12/53/11/999125311.db2.gz ZHNKFBXNCHWLHC-ZYHUDNBSSA-N -1 0 308.761 3.797 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)NCC2(CC(=O)[O-])CCCCC2)C[C@@H]1C ZINC001594295346 999136358 /nfs/dbraw/zinc/13/63/58/999136358.db2.gz HMCAEECYVQQHIY-QLFBSQMISA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N(C)C2(C(=O)[O-])CCCC2)C1(C)C ZINC001594295449 999136736 /nfs/dbraw/zinc/13/67/36/999136736.db2.gz CPIGHMOPOLXTPX-PMLDSWMASA-N -1 0 321.461 3.861 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)cc1)C(=O)[O-] ZINC001594309560 999195098 /nfs/dbraw/zinc/19/50/98/999195098.db2.gz XNNXROWDVPUAKX-UMVBOHGHSA-N -1 0 318.417 3.508 20 0 DHADRM C[C@@H]1CC[C@@](NC(=O)/C=C\C(C)(C)C)(C(=O)[O-])c2ccccc21 ZINC001594315513 999222394 /nfs/dbraw/zinc/22/23/94/999222394.db2.gz YIUMPASJGHNUAF-BUQDYYEQSA-N -1 0 315.413 3.582 20 0 DHADRM CO[C@@H](CNc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CCCCC1 ZINC001599055171 999224625 /nfs/dbraw/zinc/22/46/25/999224625.db2.gz HMYWMLOKCHKUIJ-KDOFPFPSSA-N -1 0 319.445 3.957 20 0 DHADRM CO[C@H](CNc1cc(C(=O)[O-])cc2cccnc21)C1CCCC1 ZINC001599056775 999236081 /nfs/dbraw/zinc/23/60/81/999236081.db2.gz ZGAWXLURESWEAW-MRXNPFEDSA-N -1 0 314.385 3.550 20 0 DHADRM C[C@@H]1CC[C@H](OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)[C@H](C)C1 ZINC001594329404 999265699 /nfs/dbraw/zinc/26/56/99/999265699.db2.gz YXJVEIAXUPGXNK-HHMSRWFOSA-N -1 0 316.397 3.613 20 0 DHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)C1 ZINC001594345715 999309166 /nfs/dbraw/zinc/30/91/66/999309166.db2.gz ZEHVYEPBPMLNKB-GHMZBOCLSA-N -1 0 322.430 3.736 20 0 DHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)C1 ZINC001594345716 999309223 /nfs/dbraw/zinc/30/92/23/999309223.db2.gz ZEHVYEPBPMLNKB-MNOVXSKESA-N -1 0 322.430 3.736 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594346035 999311277 /nfs/dbraw/zinc/31/12/77/999311277.db2.gz KWKUUIIQKJDQBF-GRYCIOLGSA-N -1 0 322.380 3.718 20 0 DHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594357252 999351068 /nfs/dbraw/zinc/35/10/68/999351068.db2.gz LETOQQXRSGTVJK-KMFMINBZSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594360660 999363918 /nfs/dbraw/zinc/36/39/18/999363918.db2.gz XNSRCRBAXYJNGG-RKDXNWHRSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594363281 999371300 /nfs/dbraw/zinc/37/13/00/999371300.db2.gz BZPPUOVZLJUZKN-RKDXNWHRSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594363595 999372600 /nfs/dbraw/zinc/37/26/00/999372600.db2.gz HVJXYSWVZUAJMH-WCBMZHEXSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H]1CCCC[C@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594363971 999374650 /nfs/dbraw/zinc/37/46/50/999374650.db2.gz PRMPCZMDVIVWIR-FVQBIDKESA-N -1 0 317.429 3.781 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001594364032 999374953 /nfs/dbraw/zinc/37/49/53/999374953.db2.gz RIFQJLLWGLTPBV-KBPBESRZSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@@H]1CCCN(c2nc(C(=O)[O-])c(-c3ccccc3)s2)C1 ZINC001594389364 999475172 /nfs/dbraw/zinc/47/51/72/999475172.db2.gz OWFMXSMJGYTVRX-LLVKDONJSA-N -1 0 302.399 3.745 20 0 DHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594389422 999475636 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CC(C)[C@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000186389484 1021102894 /nfs/dbraw/zinc/10/28/94/1021102894.db2.gz BMSIPYPZZOMCKP-JTQLQIEISA-N -1 0 315.335 3.708 20 0 DHADRM CCO[C@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140833748 1021106939 /nfs/dbraw/zinc/10/69/39/1021106939.db2.gz HAIWPIXWEXKGNJ-NSHDSACASA-N -1 0 304.217 3.700 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1 ZINC000414379748 1021154967 /nfs/dbraw/zinc/15/49/67/1021154967.db2.gz DOALRBQDIXNSJF-NSHDSACASA-N -1 0 320.414 3.866 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1 ZINC000414379747 1021155835 /nfs/dbraw/zinc/15/58/35/1021155835.db2.gz DOALRBQDIXNSJF-LLVKDONJSA-N -1 0 320.414 3.866 20 0 DHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C)cc1 ZINC000414385295 1021166346 /nfs/dbraw/zinc/16/63/46/1021166346.db2.gz UTFHMQYZSIAJJR-GFCCVEGCSA-N -1 0 319.430 3.606 20 0 DHADRM O=C([O-])/C=C/c1cnc(/C=C\c2nc3c(s2)CCCC3)s1 ZINC000776266836 1021196218 /nfs/dbraw/zinc/19/62/18/1021196218.db2.gz 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ZINC001152994869 1021215435 /nfs/dbraw/zinc/21/54/35/1021215435.db2.gz AAAAJVPTXHYLNU-UHFFFAOYSA-N -1 0 304.758 3.908 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000659166128 1021217092 /nfs/dbraw/zinc/21/70/92/1021217092.db2.gz FCAZXAQKWZGXGB-QMMMGPOBSA-N -1 0 301.795 3.501 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000659160592 1021221994 /nfs/dbraw/zinc/22/19/94/1021221994.db2.gz LJNYILAEKZQQCZ-SECBINFHSA-N -1 0 317.307 3.792 20 0 DHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)CCC1CCC1)CCC2 ZINC000659183446 1021232314 /nfs/dbraw/zinc/23/23/14/1021232314.db2.gz ZKARKKQGRMPKOF-MRXNPFEDSA-N -1 0 315.413 3.501 20 0 DHADRM CC(C)Sc1ccccc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659233850 1021279474 /nfs/dbraw/zinc/27/94/74/1021279474.db2.gz FXDNXTJQLCOINO-RHSMWYFYSA-N -1 0 321.442 3.560 20 0 DHADRM CC(C)(C)Cc1cc(NC(=O)c2c([O-])cccc2Cl)n[nH]1 ZINC000743634838 1021338197 /nfs/dbraw/zinc/33/81/97/1021338197.db2.gz GAZDSYGKVNTKLM-UHFFFAOYSA-N -1 0 307.781 3.610 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)c2c([O-])cccc2Cl)n[nH]1 ZINC000743628394 1021339923 /nfs/dbraw/zinc/33/99/23/1021339923.db2.gz RNNFBNRUVHPZKL-SECBINFHSA-N -1 0 307.781 3.925 20 0 DHADRM C/C(=C\C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC000917664319 1021340213 /nfs/dbraw/zinc/34/02/13/1021340213.db2.gz XWVQKCLNGCHXGD-RMKNXTFCSA-N -1 0 301.367 3.894 20 0 DHADRM CN(Cc1cc(Cl)cc(Cl)c1)c1ncccc1C(=O)[O-] ZINC000613558090 1021344076 /nfs/dbraw/zinc/34/40/76/1021344076.db2.gz YBNIDJJSHZXIEI-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM CC(C)c1ccc(-c2nc(CN(C)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000262669601 1021351504 /nfs/dbraw/zinc/35/15/04/1021351504.db2.gz RAHVVHKSLQYFEC-LBPRGKRZSA-N -1 0 318.442 3.838 20 0 DHADRM CC(C)c1ccc(-c2ncc(CN(C)[C@@H](C)C(=O)[O-])s2)cc1 ZINC000262669117 1021355139 /nfs/dbraw/zinc/35/51/39/1021355139.db2.gz QWKDLSUIQAXYFJ-LBPRGKRZSA-N -1 0 318.442 3.838 20 0 DHADRM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cc2ccccc2o1 ZINC000670412510 1021371676 /nfs/dbraw/zinc/37/16/76/1021371676.db2.gz GPWLEXGYWSBTDP-SSDOTTSWSA-N -1 0 322.773 3.739 20 0 DHADRM CC(C)Cn1nccc1CNc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000647646794 1021387128 /nfs/dbraw/zinc/38/71/28/1021387128.db2.gz OBUKQQMRDCIESS-CQSZACIVSA-N -1 0 315.417 3.729 20 0 DHADRM C[S@](=O)c1ccc(-c2ccc3sc(=S)[n-]c3c2)cc1 ZINC001241485163 1021408355 /nfs/dbraw/zinc/40/83/55/1021408355.db2.gz ZYKOYPAULGQPPU-IBGZPJMESA-N -1 0 305.449 3.989 20 0 DHADRM Cc1ccc(CCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])s1 ZINC000262708762 1021435938 /nfs/dbraw/zinc/43/59/38/1021435938.db2.gz BEIVBACEZMKPFC-YOEHRIQHSA-N -1 0 323.458 3.529 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccnc(Cl)c1 ZINC000154685103 1021488864 /nfs/dbraw/zinc/48/88/64/1021488864.db2.gz XEQKXURJUBJBIR-UHFFFAOYSA-N -1 0 317.559 4.000 20 0 DHADRM C[C@H]1CCC(=O)[C@@H](Sc2n[n-]c(=Nc3ccccc3)s2)C1 ZINC000450680430 1021507227 /nfs/dbraw/zinc/50/72/27/1021507227.db2.gz KSOLDZDJPRCDET-GWCFXTLKSA-N -1 0 319.455 3.553 20 0 DHADRM Cc1cc(Nc2ncc(Br)cc2C)ccc1C(=O)[O-] ZINC001211647817 1021511509 /nfs/dbraw/zinc/51/15/09/1021511509.db2.gz KXDSLYRCCMJELN-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM CCC(CC)(CC(=O)N1CCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000314210630 1021727217 /nfs/dbraw/zinc/72/72/17/1021727217.db2.gz KMHRZAKTWMJTLA-HNNXBMFYSA-N -1 0 303.402 3.631 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000237537287 1021731762 /nfs/dbraw/zinc/73/17/62/1021731762.db2.gz MRCBHCRPGNNPHS-JSGCOSHPSA-N -1 0 319.401 3.613 20 0 DHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)[C@@H]1CC2CCC1CC2 ZINC000394227191 1021872492 /nfs/dbraw/zinc/87/24/92/1021872492.db2.gz KKYKUUVFKRAZDM-LBDPXKHJSA-N -1 0 321.461 3.743 20 0 DHADRM CCN(C(=O)c1ccc2ccccc2c1O)c1nc(C)cs1 ZINC000152922339 1021874935 /nfs/dbraw/zinc/87/49/35/1021874935.db2.gz GXRRGBGUKOKOJU-UHFFFAOYSA-N -1 0 312.394 3.977 20 0 DHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535865 1021941854 /nfs/dbraw/zinc/94/18/54/1021941854.db2.gz KXTOKYOWMLEZJC-SNVBAGLBSA-N -1 0 319.188 3.614 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)NCc1ccc(O)c(F)c1 ZINC000893114584 1021949539 /nfs/dbraw/zinc/94/95/39/1021949539.db2.gz VYILPLOHEVHNEN-INIZCTEOSA-N -1 0 314.360 3.708 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000851597843 1021951343 /nfs/dbraw/zinc/95/13/43/1021951343.db2.gz BMEGQGSPDBTPGB-WKILWMFISA-N -1 0 309.450 3.744 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C)s1 ZINC000851594301 1021951453 /nfs/dbraw/zinc/95/14/53/1021951453.db2.gz HUIMJBYVSJCRJD-STUBTGCMSA-N -1 0 319.382 3.547 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851625829 1021951989 /nfs/dbraw/zinc/95/19/89/1021951989.db2.gz WFFGEQFSQUFGJS-KETGZPNNSA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3ccccc3c2)CC2(CCC2)C1 ZINC000851593447 1021952236 /nfs/dbraw/zinc/95/22/36/1021952236.db2.gz WVGJKYJCYYOKDR-UHFFFAOYSA-N -1 0 309.365 3.813 20 0 DHADRM O=c1nc(-c2cccc(F)n2)[nH]c2scc(-c3ccccc3)c21 ZINC000155132294 1021972192 /nfs/dbraw/zinc/97/21/92/1021972192.db2.gz CBUIIGUKBJMCSA-UHFFFAOYSA-N -1 0 323.352 3.853 20 0 DHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000195307306 1022106644 /nfs/dbraw/zinc/10/66/44/1022106644.db2.gz HXKSZPZAWHDDKQ-CQSZACIVSA-N -1 0 321.298 3.787 20 0 DHADRM COc1cccc(SC)c1NC(=O)c1noc2c1CCCC2 ZINC000416124676 1022142623 /nfs/dbraw/zinc/14/26/23/1022142623.db2.gz ULJLPYSTGYKATL-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CCCc1cc(C(=O)Nc2c(OC)cccc2SC)no1 ZINC000416125166 1022143318 /nfs/dbraw/zinc/14/33/18/1022143318.db2.gz VVZLMIHXVADQBL-UHFFFAOYSA-N -1 0 306.387 3.610 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000620567035 1022188334 /nfs/dbraw/zinc/18/83/34/1022188334.db2.gz VEZZXHVTHIIRQC-LBPRGKRZSA-N -1 0 317.389 3.503 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852956264 1022191158 /nfs/dbraw/zinc/19/11/58/1022191158.db2.gz IXKCJILYTMVEKY-PBHICJAKSA-N -1 0 317.429 3.804 20 0 DHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)c1s[n-]c(=O)c1Cl ZINC000620672756 1022218665 /nfs/dbraw/zinc/21/86/65/1022218665.db2.gz IZSKHDSFERVPOL-NSHDSACASA-N -1 0 322.817 3.618 20 0 DHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc([O-])c(Cl)c1 ZINC000620683046 1022232474 /nfs/dbraw/zinc/23/24/74/1022232474.db2.gz MFSJEAKFNAPFNN-CQSZACIVSA-N -1 0 315.800 3.848 20 0 DHADRM O=C(Nc1cccc(-c2ncco2)c1)c1ccc([O-])c(Cl)c1 ZINC000154169400 1022284356 /nfs/dbraw/zinc/28/43/56/1022284356.db2.gz MDEDJTRCXMBHRV-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000634830777 1022299580 /nfs/dbraw/zinc/29/95/80/1022299580.db2.gz HEJMDXMKQYQQHR-IUCAKERBSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@@H]1C[C@@H](Nc2cccc(S(=O)(=O)[O-])c2)c2ccccc21 ZINC001169377966 1022375181 /nfs/dbraw/zinc/37/51/81/1022375181.db2.gz JMPMDZUKBNTJER-BDJLRTHQSA-N -1 0 303.383 3.594 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H]2C1 ZINC000155194373 1022377481 /nfs/dbraw/zinc/37/74/81/1022377481.db2.gz NBYYLYJNQMITJI-RKDXNWHRSA-N -1 0 300.185 3.571 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C[C@H]1C ZINC000615280674 1022443092 /nfs/dbraw/zinc/44/30/92/1022443092.db2.gz HEKOXLNQZNYXBL-BZPMIXESSA-N -1 0 313.401 3.793 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C[C@@H]1C ZINC000615280679 1022443222 /nfs/dbraw/zinc/44/32/22/1022443222.db2.gz HEKOXLNQZNYXBL-MBNYWOFBSA-N -1 0 313.401 3.793 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281816 1022443732 /nfs/dbraw/zinc/44/37/32/1022443732.db2.gz WHQAPQGQTMFMES-GXTWGEPZSA-N -1 0 313.401 3.937 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC2(CCC2)CC1 ZINC000854438949 1022472144 /nfs/dbraw/zinc/47/21/44/1022472144.db2.gz QJFXCWVSDVJWEA-UHFFFAOYSA-N -1 0 302.399 3.523 20 0 DHADRM O=C(NCc1cc2ccccc2s1)c1c([O-])cc(F)cc1F ZINC000620977627 1022481777 /nfs/dbraw/zinc/48/17/77/1022481777.db2.gz ROLOHAOGRQMYEM-UHFFFAOYSA-N -1 0 319.332 3.815 20 0 DHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000263327722 1022482218 /nfs/dbraw/zinc/48/22/18/1022482218.db2.gz TZKQYHCTAUKWLJ-VIFPVBQESA-N -1 0 318.200 3.816 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000854525321 1022490336 /nfs/dbraw/zinc/49/03/36/1022490336.db2.gz FNPJAXWZTYSUBI-AWEZNQCLSA-N -1 0 314.410 3.521 20 0 DHADRM O=C(C[C@@H]1CCC(F)(F)C1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854645117 1022505772 /nfs/dbraw/zinc/50/57/72/1022505772.db2.gz YSKJUVMNOKBDCP-JTQLQIEISA-N -1 0 321.327 3.546 20 0 DHADRM C/C(=C\C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)C(C)(C)C ZINC000767138527 1022650898 /nfs/dbraw/zinc/65/08/98/1022650898.db2.gz SFDUKVBZPSTIGC-FMIVXFBMSA-N -1 0 314.385 3.657 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000767196004 1022660359 /nfs/dbraw/zinc/66/03/59/1022660359.db2.gz KZILHGDVKNSTJT-HOCLYGCPSA-N -1 0 305.418 3.578 20 0 DHADRM CC(C)(C)C(F)(F)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000856278846 1022785406 /nfs/dbraw/zinc/78/54/06/1022785406.db2.gz VJYAIURPIJKXQI-UHFFFAOYSA-N -1 0 314.357 3.528 20 0 DHADRM CCCC[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621589030 1022796905 /nfs/dbraw/zinc/79/69/05/1022796905.db2.gz LVMPSQXUINXBCD-VNQPRFMTSA-N -1 0 303.402 3.630 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588798 1022798602 /nfs/dbraw/zinc/79/86/02/1022798602.db2.gz GTKMYKZKFRTGKG-BSWAZPDLSA-N -1 0 315.413 3.630 20 0 DHADRM Cc1ccc(-c2nc(CC(=O)[N-]OCC3CCC3)cs2)cc1 ZINC000856344555 1022800469 /nfs/dbraw/zinc/80/04/69/1022800469.db2.gz MMHIDUQXPIVIBQ-UHFFFAOYSA-N -1 0 316.426 3.509 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000659153808 1022856799 /nfs/dbraw/zinc/85/67/99/1022856799.db2.gz WZALRKXCEXZPSM-LLVKDONJSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000857009413 1022919300 /nfs/dbraw/zinc/91/93/00/1022919300.db2.gz BPLFBMDUVNGEJO-DBTPVHCXSA-N -1 0 323.458 3.566 20 0 DHADRM CC(C)c1ccc(C(=O)N(CCC(=O)[O-])C2CC2)cc1Cl ZINC000649355094 1022943075 /nfs/dbraw/zinc/94/30/75/1022943075.db2.gz OFPIOSGPJFMPNC-UHFFFAOYSA-N -1 0 309.793 3.543 20 0 DHADRM Cc1cc(Nc2ccc3nc(C(C)C)nn3c2)ccc1C(=O)[O-] ZINC001211655101 1022943707 /nfs/dbraw/zinc/94/37/07/1022943707.db2.gz NHLDMYUOTMWOGF-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM Cc1ccc(F)c(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000324142364 1022952699 /nfs/dbraw/zinc/95/26/99/1022952699.db2.gz MSVCKFJEVINATI-OAHLLOKOSA-N -1 0 322.380 3.679 20 0 DHADRM CSc1cc(O)ccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000191561283 1022972002 /nfs/dbraw/zinc/97/20/02/1022972002.db2.gz UPUQALLPGOJKOF-UHFFFAOYSA-N -1 0 309.774 3.725 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCC2(CCCC2)CC1 ZINC000617563682 1022990751 /nfs/dbraw/zinc/99/07/51/1022990751.db2.gz ZJVWHOWBRUZSKI-UHFFFAOYSA-N -1 0 314.838 3.689 20 0 DHADRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1ccc(Cl)s1 ZINC000181303602 1023041560 /nfs/dbraw/zinc/04/15/60/1023041560.db2.gz LASBZANOOJHSHF-YRNVUSSQSA-N -1 0 317.753 3.890 20 0 DHADRM CCc1ccc(C)nc1NC(=O)c1cc(SC)ccc1O ZINC000622142749 1023047568 /nfs/dbraw/zinc/04/75/68/1023047568.db2.gz NIEVUBMFDSWLKG-UHFFFAOYSA-N -1 0 302.399 3.632 20 0 DHADRM CCCC1CCC(NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000622326155 1023109836 /nfs/dbraw/zinc/10/98/36/1023109836.db2.gz CUZWWGAALYMJRT-UHFFFAOYSA-N -1 0 302.827 3.591 20 0 DHADRM C[C@@]1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC=CCC1 ZINC000909332755 1023219547 /nfs/dbraw/zinc/21/95/47/1023219547.db2.gz SBZCCIDKYBEULZ-GOSISDBHSA-N -1 0 317.385 3.615 20 0 DHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)c1c([O-])cccc1Cl ZINC000770087119 1023273059 /nfs/dbraw/zinc/27/30/59/1023273059.db2.gz CMJZNRYEGDPGOO-UHFFFAOYSA-N -1 0 318.804 3.981 20 0 DHADRM Cc1cc(Nc2ccc3c(c2)NC(=O)CCC3)ccc1C(=O)[O-] ZINC001211658674 1023273346 /nfs/dbraw/zinc/27/33/46/1023273346.db2.gz WSZUPHFYHCDJLE-UHFFFAOYSA-N -1 0 310.353 3.712 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)CC ZINC000909342384 1023322802 /nfs/dbraw/zinc/32/28/02/1023322802.db2.gz MOFYGAUXKIRFHB-SQRCLHEMSA-N -1 0 323.339 3.509 20 0 DHADRM COC(=O)c1c(F)cc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211660625 1023331239 /nfs/dbraw/zinc/33/12/39/1023331239.db2.gz DGRJDSXCVFJZIU-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cc2cccnc21 ZINC001211660790 1023335074 /nfs/dbraw/zinc/33/50/74/1023335074.db2.gz LMSXRPRMZZNHGH-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211660877 1023338244 /nfs/dbraw/zinc/33/82/44/1023338244.db2.gz QFRPPFBOWYWQCI-GFCCVEGCSA-N -1 0 313.353 3.713 20 0 DHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000538645555 1033124955 /nfs/dbraw/zinc/12/49/55/1033124955.db2.gz GPEBFPUEVRWKKR-UHFFFAOYSA-N -1 0 319.744 3.509 20 0 DHADRM O=S(=O)([N-]c1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000007403701 1023418425 /nfs/dbraw/zinc/41/84/25/1023418425.db2.gz JYYAEJCXXWHXMJ-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccn1 ZINC000772280546 1023544940 /nfs/dbraw/zinc/54/49/40/1023544940.db2.gz LESBAJXVPWRJDI-AWEZNQCLSA-N -1 0 322.767 3.707 20 0 DHADRM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1c(O)cccc1Cl ZINC000772540316 1023565656 /nfs/dbraw/zinc/56/56/56/1023565656.db2.gz GXESOFOEYNOIBY-ISTRZQFTSA-N -1 0 313.784 3.504 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccnc3c(F)cc(Cl)cc23)C1 ZINC000662880914 1023638617 /nfs/dbraw/zinc/63/86/17/1023638617.db2.gz RBROCQHDOPEXLR-UWVGGRQHSA-N -1 0 322.767 3.574 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 ZINC000662887473 1023644170 /nfs/dbraw/zinc/64/41/70/1023644170.db2.gz ITEYXJZGZXUJEA-CYBMUJFWSA-N -1 0 316.426 3.891 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nc(-c2ccc(F)cc2)cs1 ZINC000662894168 1023651207 /nfs/dbraw/zinc/65/12/07/1023651207.db2.gz ULSZZHVXCIYOEX-PWSUYJOCSA-N -1 0 320.389 3.639 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2c(F)cc(Cl)cc12 ZINC000662893257 1023652886 /nfs/dbraw/zinc/65/28/86/1023652886.db2.gz JSYOPVBGCWWWHT-ZJUUUORDSA-N -1 0 322.767 3.717 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786620114 1023712426 /nfs/dbraw/zinc/71/24/26/1023712426.db2.gz TUTXUCZMEHXHIB-AWEZNQCLSA-N -1 0 311.381 3.521 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccccc1C)CC ZINC000909377815 1023753897 /nfs/dbraw/zinc/75/38/97/1023753897.db2.gz WEWJHCDMUACKNI-NGYIOUDCSA-N -1 0 301.386 3.540 20 0 DHADRM Cc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(Cl)c1 ZINC000048652685 1023800659 /nfs/dbraw/zinc/80/06/59/1023800659.db2.gz TXNNHPHFDLCLHP-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)s1 ZINC000048653011 1023801491 /nfs/dbraw/zinc/80/14/91/1023801491.db2.gz MOSAAICCXNMKJI-UHFFFAOYSA-N -1 0 319.810 3.904 20 0 DHADRM CO[C@@H](C)c1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663077937 1023820485 /nfs/dbraw/zinc/82/04/85/1023820485.db2.gz TVBXVNAYTIUNAR-ZDUSSCGKSA-N -1 0 319.401 3.758 20 0 DHADRM CSc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000663116698 1023855302 /nfs/dbraw/zinc/85/53/02/1023855302.db2.gz SLABLOYISBKSQF-UHFFFAOYSA-N -1 0 307.415 3.772 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000788315484 1023874056 /nfs/dbraw/zinc/87/40/56/1023874056.db2.gz VAJOXJRKKUQJFW-ZDUSSCGKSA-N -1 0 312.797 3.611 20 0 DHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001299825432 1033172943 /nfs/dbraw/zinc/17/29/43/1033172943.db2.gz YFUMIKLQWKNTES-BXUZGUMPSA-N -1 0 323.383 3.959 20 0 DHADRM C[C@H](CNC(=O)C[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000663229918 1023947107 /nfs/dbraw/zinc/94/71/07/1023947107.db2.gz SWHWDTRNTIEPFH-PBHICJAKSA-N -1 0 317.429 3.578 20 0 DHADRM O=C([O-])C1CCC(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000194431039 1024003359 /nfs/dbraw/zinc/00/33/59/1024003359.db2.gz GLTIIZWCMSGCJJ-OFLPRAFFSA-N -1 0 315.413 3.535 20 0 DHADRM CC(F)(F)CCCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000452207156 1024009982 /nfs/dbraw/zinc/00/99/82/1024009982.db2.gz SHIIAONWVRAKCF-UHFFFAOYSA-N -1 0 312.143 3.864 20 0 DHADRM CC(C)[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000061835578 1024058141 /nfs/dbraw/zinc/05/81/41/1024058141.db2.gz YWPHJPHGMDLIJL-BZNIZROVSA-N -1 0 311.809 3.654 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663355636 1024202574 /nfs/dbraw/zinc/20/25/74/1024202574.db2.gz YZQKTQPPSMCKTP-UHFFFAOYSA-N -1 0 324.808 3.624 20 0 DHADRM O=C(c1c(O)cccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000746890442 1024265834 /nfs/dbraw/zinc/26/58/34/1024265834.db2.gz NLOKXOPBIWPQTB-ZDUSSCGKSA-N -1 0 301.773 3.675 20 0 DHADRM Oc1ccc(-c2cncc(Oc3cccc(F)c3)n2)c(F)c1 ZINC001206038015 1024306100 /nfs/dbraw/zinc/30/61/00/1024306100.db2.gz PIAJHCLBAZTSSP-UHFFFAOYSA-N -1 0 300.264 3.920 20 0 DHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(F)nc2C)CC)n1 ZINC000278906709 1024427667 /nfs/dbraw/zinc/42/76/67/1024427667.db2.gz GIDKLEADPPTSOW-FMIVXFBMSA-N -1 0 301.365 3.928 20 0 DHADRM O=C(OCc1ccc(Cl)s1)c1c(F)cc([O-])cc1F ZINC000746983772 1024446642 /nfs/dbraw/zinc/44/66/42/1024446642.db2.gz BAAWTHYYFITWPX-UHFFFAOYSA-N -1 0 304.701 3.742 20 0 DHADRM 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ZINC001174807805 1034633676 /nfs/dbraw/zinc/63/36/76/1034633676.db2.gz OKKBBKZJURLPLY-UHFFFAOYSA-N -1 0 317.345 3.823 20 0 DHADRM COc1nc(Nc2ccc(C(=O)[O-])s2)cc2ccccc21 ZINC001174807875 1034633806 /nfs/dbraw/zinc/63/38/06/1034633806.db2.gz QALBJPYOZALIIC-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186856038 1034667344 /nfs/dbraw/zinc/66/73/44/1034667344.db2.gz LPWWKIPGAHKHGQ-RISCZKNCSA-N -1 0 317.335 3.689 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H](CF)C1 ZINC000881670592 1034674714 /nfs/dbraw/zinc/67/47/14/1034674714.db2.gz NQEQRXVATJYNPG-SNVBAGLBSA-N -1 0 307.752 3.630 20 0 DHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1c([O-])cccc1F ZINC000186935567 1034674623 /nfs/dbraw/zinc/67/46/23/1034674623.db2.gz ITZFDWPBKNMPDF-AWEZNQCLSA-N -1 0 302.349 3.540 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cnnc3ccc(Cl)cc32)cc1 ZINC001174951665 1034704210 /nfs/dbraw/zinc/70/42/10/1034704210.db2.gz LACMSHKAZLCJHP-UHFFFAOYSA-N -1 0 313.744 3.654 20 0 DHADRM CCOC(=O)c1cccc(Nc2ccc(CC(=O)[O-])cc2)c1C ZINC001174953456 1034705987 /nfs/dbraw/zinc/70/59/87/1034705987.db2.gz RVBRCSVWHKLWTO-UHFFFAOYSA-N -1 0 313.353 3.542 20 0 DHADRM Cc1cnc(Nc2cc(C(=O)[O-])ccc2C)c(Br)c1 ZINC001174981052 1034744913 /nfs/dbraw/zinc/74/49/13/1034744913.db2.gz BPLIDOYABFIGJD-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2nc(C3CCC3)nn2c1 ZINC001174981333 1034745189 /nfs/dbraw/zinc/74/51/89/1034745189.db2.gz AWZOHGZNLYRBKV-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc2c(C(C)C)cnn2c1 ZINC001174983723 1034746169 /nfs/dbraw/zinc/74/61/69/1034746169.db2.gz QWKFOJCCQTYCPF-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM COC(=O)/C=C/c1cccc(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174985721 1034746808 /nfs/dbraw/zinc/74/68/08/1034746808.db2.gz FWSFWHYRDIQPBB-VQHVLOKHSA-N -1 0 311.337 3.623 20 0 DHADRM COC(=O)c1cc(C)c(C)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175161657 1034813981 /nfs/dbraw/zinc/81/39/81/1034813981.db2.gz 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ZINC000261607448 332315143 /nfs/dbraw/zinc/31/51/43/332315143.db2.gz ANDXZDYNOYTFKM-XKQJLSEDSA-N -1 0 317.429 3.878 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000261784404 332318089 /nfs/dbraw/zinc/31/80/89/332318089.db2.gz SKVRMRGWBMGCQL-LHUBUQBQSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC1=CCCCC1 ZINC000237579260 332377145 /nfs/dbraw/zinc/37/71/45/332377145.db2.gz LDTQCDRDUWJKAP-MRXNPFEDSA-N -1 0 301.386 3.518 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000237580456 332377319 /nfs/dbraw/zinc/37/73/19/332377319.db2.gz CZCAUDVFTNVJDJ-RHSMWYFYSA-N -1 0 323.392 3.711 20 0 DHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000569622969 332434980 /nfs/dbraw/zinc/43/49/80/332434980.db2.gz MZKMHCVRUKKEPR-HNNXBMFYSA-N -1 0 316.328 3.749 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261639635 332500192 /nfs/dbraw/zinc/50/01/92/332500192.db2.gz ILQDLKQVYSEJOD-LLVKDONJSA-N -1 0 309.793 3.504 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ZINC000314221638 333094764 /nfs/dbraw/zinc/09/47/64/333094764.db2.gz MHJCZSIQJKEPLP-UHFFFAOYSA-N -1 0 321.442 3.562 20 0 DHADRM CSc1ccc(C)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000314451839 333121384 /nfs/dbraw/zinc/12/13/84/333121384.db2.gz IOTGJMXPCMBMCF-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(C3(CO)CC3)cc2)s1 ZINC000580330800 333206466 /nfs/dbraw/zinc/20/64/66/333206466.db2.gz VGPCEJIIAYHAHW-LLVKDONJSA-N -1 0 302.395 3.627 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CC2CCCCC2)C1 ZINC000498656637 333280703 /nfs/dbraw/zinc/28/07/03/333280703.db2.gz JZZOQOMXDMXCIP-ZACQAIPSSA-N -1 0 321.461 3.839 20 0 DHADRM O=C([O-])c1ccc2c(c1)[nH]nc2-c1nc2cc(F)ccc2s1 ZINC000497839171 333299722 /nfs/dbraw/zinc/29/97/22/333299722.db2.gz HHPQYUARGBDAES-UHFFFAOYSA-N -1 0 313.313 3.677 20 0 DHADRM CC(C)c1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000388533668 333322289 /nfs/dbraw/zinc/32/22/89/333322289.db2.gz LBOYWHJPZIBLIL-WFASDCNBSA-N -1 0 304.390 3.527 20 0 DHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000183968988 333332441 /nfs/dbraw/zinc/33/24/41/333332441.db2.gz XLJDUSMPAMWOHO-UBHSHLNASA-N -1 0 315.369 3.501 20 0 DHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000062742396 333336358 /nfs/dbraw/zinc/33/63/58/333336358.db2.gz PPFNKBRDLYXXEL-UHFFFAOYSA-N -1 0 319.188 3.568 20 0 DHADRM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)c([O-])c(Cl)c1 ZINC000184228079 333349677 /nfs/dbraw/zinc/34/96/77/333349677.db2.gz CYDGAJLHKZCERJ-UHFFFAOYSA-N -1 0 323.795 3.883 20 0 DHADRM CC(C)(C)CCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000531432832 333352879 /nfs/dbraw/zinc/35/28/79/333352879.db2.gz BFGKECRMPAUTME-GFCCVEGCSA-N -1 0 323.380 3.646 20 0 DHADRM CC1(C)C[C@H](N=c2nc(C(F)(F)F)[n-]s2)c2ccccc21 ZINC000583457564 333357602 /nfs/dbraw/zinc/35/76/02/333357602.db2.gz LUBCCWSZDDZGNY-JTQLQIEISA-N -1 0 313.348 3.813 20 0 DHADRM Cc1cccc(OC(F)F)c1NC(=O)c1c([O-])cccc1F ZINC000184671139 333363895 /nfs/dbraw/zinc/36/38/95/333363895.db2.gz 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333598955 /nfs/dbraw/zinc/59/89/55/333598955.db2.gz YHDQAKOYTXQGLZ-UHFFFAOYSA-N -1 0 313.319 3.958 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000563380263 333599170 /nfs/dbraw/zinc/59/91/70/333599170.db2.gz APTQFNBFPOCQTJ-UHFFFAOYSA-N -1 0 320.433 3.562 20 0 DHADRM CCCOc1cncc(-c2ccccc2CC2(C(=O)[O-])CC2)c1 ZINC000563436655 333605521 /nfs/dbraw/zinc/60/55/21/333605521.db2.gz PDLZKOANEPCSJU-UHFFFAOYSA-N -1 0 311.381 3.945 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000571168672 333675472 /nfs/dbraw/zinc/67/54/72/333675472.db2.gz ZYDBUCQBCJXSAJ-CABCVRRESA-N -1 0 301.386 3.750 20 0 DHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)CC(F)(F)F ZINC000412685717 333784218 /nfs/dbraw/zinc/78/42/18/333784218.db2.gz YKOKQKDEPVGQPK-ZCFIWIBFSA-N -1 0 313.678 3.503 20 0 DHADRM CSc1cc(NC(=O)CC(C)(C)C(=O)[O-])ccc1Cl ZINC000414093196 333894865 /nfs/dbraw/zinc/89/48/65/333894865.db2.gz FTWGGXOSCSCQRS-UHFFFAOYSA-N -1 0 301.795 3.501 20 0 DHADRM O=C(Nc1cccc2[nH]cnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000436538514 333973790 /nfs/dbraw/zinc/97/37/90/333973790.db2.gz QYHDSATXSIAZRF-UHFFFAOYSA-N -1 0 322.151 3.828 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000436651370 333985708 /nfs/dbraw/zinc/98/57/08/333985708.db2.gz FILSNKTXBKRVOL-UHFFFAOYSA-N -1 0 317.307 3.902 20 0 DHADRM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1[O-] ZINC000436932311 334018553 /nfs/dbraw/zinc/01/85/53/334018553.db2.gz NEHFSYDIZKROSL-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM CC(C)C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000414595088 334032807 /nfs/dbraw/zinc/03/28/07/334032807.db2.gz GKRSCSAVPKBCAQ-MRXNPFEDSA-N -1 0 320.433 3.718 20 0 DHADRM O=C([O-])C1CCC(N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000414634683 334048722 /nfs/dbraw/zinc/04/87/22/334048722.db2.gz CWWHDGALSSINBG-KGPNIALWSA-N -1 0 319.298 3.662 20 0 DHADRM O=C([O-])c1cccc(CN2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000414636184 334048973 /nfs/dbraw/zinc/04/89/73/334048973.db2.gz 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CC(C)c1ccc(SCC(=O)N(CCC(=O)[O-])C(C)C)cc1 ZINC000362320843 336792159 /nfs/dbraw/zinc/79/21/59/336792159.db2.gz QVLVWRSNKZBTLV-UHFFFAOYSA-N -1 0 323.458 3.614 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(Cl)c1 ZINC000193476129 336992922 /nfs/dbraw/zinc/99/29/22/336992922.db2.gz AAXXFPXMGXESMQ-UHFFFAOYSA-N -1 0 320.801 3.931 20 0 DHADRM O=C([O-])CCCCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000377579637 337055497 /nfs/dbraw/zinc/05/54/97/337055497.db2.gz AAQFMLMUWHRHFM-QFBILLFUSA-N -1 0 315.413 3.559 20 0 DHADRM COCc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1OC ZINC000584362336 337101795 /nfs/dbraw/zinc/10/17/95/337101795.db2.gz VNMTWWYJFOMYAE-UHFFFAOYSA-N -1 0 300.354 3.526 20 0 DHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000582531075 337105542 /nfs/dbraw/zinc/10/55/42/337105542.db2.gz NVOSGMKVXAUSAE-WSNITJDQSA-N -1 0 316.357 3.591 20 0 DHADRM Cc1csc2nc(C)nc(NCc3cc(C(=O)[O-])c(C)o3)c12 ZINC000582610255 337113627 /nfs/dbraw/zinc/11/36/27/337113627.db2.gz 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337192220 /nfs/dbraw/zinc/19/22/20/337192220.db2.gz MBAWXQCJYVRUKA-UHFFFAOYSA-N -1 0 306.243 3.543 20 0 DHADRM O=C(CCc1ccoc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185471192 337205597 /nfs/dbraw/zinc/20/55/97/337205597.db2.gz GTXKHWDVVMYGPF-UHFFFAOYSA-N -1 0 300.141 3.863 20 0 DHADRM O=C([O-])c1csc(CN2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000582910742 337216617 /nfs/dbraw/zinc/21/66/17/337216617.db2.gz SWYDRELLKGVXFK-QIAWRQBBSA-N -1 0 314.410 3.519 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000582942742 337220326 /nfs/dbraw/zinc/22/03/26/337220326.db2.gz GQCVRJUVKASFIV-HNNXBMFYSA-N -1 0 318.417 3.844 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC=C(c2ccccc2)CC1 ZINC000186408628 337255953 /nfs/dbraw/zinc/25/59/53/337255953.db2.gz RMUTVHJRCWDCAR-UHFFFAOYSA-N -1 0 315.319 3.600 20 0 DHADRM CC[C@H](C)[C@H](C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000321336177 337258009 /nfs/dbraw/zinc/25/80/09/337258009.db2.gz CYMFGFJTLNHQRT-UAGQMJEPSA-N -1 0 319.445 3.679 20 0 DHADRM O=C([O-])c1cc(F)ccc1CN(CC1CCC1)CC(F)(F)F ZINC000583209110 337272415 /nfs/dbraw/zinc/27/24/15/337272415.db2.gz DECMHWBKDWFWCX-UHFFFAOYSA-N -1 0 319.298 3.688 20 0 DHADRM Cc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000230872372 337275047 /nfs/dbraw/zinc/27/50/47/337275047.db2.gz OGEBFCCQOIXJAH-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583755103 337330061 /nfs/dbraw/zinc/33/00/61/337330061.db2.gz DNKGGLUADPNZHI-YMAMQOFZSA-N -1 0 309.450 3.695 20 0 DHADRM O=c1nc(CSc2cc(F)ccc2F)[n-]c2ccsc21 ZINC000026676662 337387189 /nfs/dbraw/zinc/38/71/89/337387189.db2.gz QVXHSVBGYRQTRP-UHFFFAOYSA-N -1 0 310.350 3.555 20 0 DHADRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2[nH]1 ZINC000031721961 337391336 /nfs/dbraw/zinc/39/13/36/337391336.db2.gz HNNIIMUETHHLPB-UHFFFAOYSA-N -1 0 322.336 3.555 20 0 DHADRM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1cccs1 ZINC000032097156 337391406 /nfs/dbraw/zinc/39/14/06/337391406.db2.gz KZECEXSGSRTOTJ-UHFFFAOYSA-N -1 0 320.395 3.568 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000321699324 337392680 /nfs/dbraw/zinc/39/26/80/337392680.db2.gz SYHMSFUVIGXJGP-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM Cc1c(NCc2cnn(Cc3ccccc3)c2)cccc1C(=O)[O-] ZINC000336655354 337398169 /nfs/dbraw/zinc/39/81/69/337398169.db2.gz JJQAGWNRUDRYME-UHFFFAOYSA-N -1 0 321.380 3.550 20 0 DHADRM COc1ccc(-c2cc(C)c(OC)cc2C)c(CC(=O)[O-])c1 ZINC000564100837 337453561 /nfs/dbraw/zinc/45/35/61/337453561.db2.gz HPQROHQTLZSJMR-UHFFFAOYSA-N -1 0 300.354 3.615 20 0 DHADRM CC(C)Sc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000236629986 337464109 /nfs/dbraw/zinc/46/41/09/337464109.db2.gz AIKVJLXNTSFEES-UHFFFAOYSA-N -1 0 321.442 3.704 20 0 DHADRM Cc1ccc(CCCC(=O)NC2(C(=O)[O-])CCC(C)CC2)s1 ZINC000236671353 337464231 /nfs/dbraw/zinc/46/42/31/337464231.db2.gz KKZIFQYNYZFHEU-UHFFFAOYSA-N -1 0 323.458 3.529 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000236976507 337466687 /nfs/dbraw/zinc/46/66/87/337466687.db2.gz 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ZINC000261776581 337610302 /nfs/dbraw/zinc/61/03/02/337610302.db2.gz JFKLAVXRKWMKCE-UHFFFAOYSA-N -1 0 323.392 3.980 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262046981 337614659 /nfs/dbraw/zinc/61/46/59/337614659.db2.gz DXTRBXCGNUVHGE-UONOGXRCSA-N -1 0 323.820 3.593 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262163080 337615700 /nfs/dbraw/zinc/61/57/00/337615700.db2.gz NBJDIIPBGQRSFM-RISCZKNCSA-N -1 0 311.809 3.798 20 0 DHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc2ccccc2o1 ZINC000262179867 337615809 /nfs/dbraw/zinc/61/58/09/337615809.db2.gz XLOWUKVGRADCRB-UONOGXRCSA-N -1 0 315.369 3.586 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC(C)(C)c1ccccc1 ZINC000262191451 337615868 /nfs/dbraw/zinc/61/58/68/337615868.db2.gz YWIQZRYWLPEHSG-UHFFFAOYSA-N -1 0 305.418 3.504 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262460181 337618311 /nfs/dbraw/zinc/61/83/11/337618311.db2.gz QOSYVPSNTYVBEI-HOTGVXAUSA-N -1 0 321.461 3.696 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262494705 337618669 /nfs/dbraw/zinc/61/86/69/337618669.db2.gz XFSHOGUZWVWJND-CVEARBPZSA-N -1 0 321.461 3.696 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccccc1 ZINC000262508679 337618842 /nfs/dbraw/zinc/61/88/42/337618842.db2.gz ZWJVSQUCQNHNCS-ULQDDVLXSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1 ZINC000262508680 337618843 /nfs/dbraw/zinc/61/88/43/337618843.db2.gz ZWJVSQUCQNHNCS-ZACQAIPSSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000262688004 337620500 /nfs/dbraw/zinc/62/05/00/337620500.db2.gz DBAOLKCGWSZQEJ-RBSFLKMASA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262735676 337620920 /nfs/dbraw/zinc/62/09/20/337620920.db2.gz VLIVRHYFMOTXBX-BFYDXBDKSA-N -1 0 315.413 3.550 20 0 DHADRM O=C([O-])CCCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000262744941 337620925 /nfs/dbraw/zinc/62/09/25/337620925.db2.gz KDSGDCHJAOADHO-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM CC(C)CCSCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000262834483 337621827 /nfs/dbraw/zinc/62/18/27/337621827.db2.gz BXKXDEKXKSOPRZ-LBPRGKRZSA-N -1 0 309.431 3.593 20 0 DHADRM CCCC(CCC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262846314 337621968 /nfs/dbraw/zinc/62/19/68/337621968.db2.gz HJHIPBUZAGMLMG-IRXDYDNUSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCCC[C@H](C)C1)C(=O)[O-] ZINC000262890303 337622143 /nfs/dbraw/zinc/62/21/43/337622143.db2.gz HKCROSSYCRUJIB-STQMWFEESA-N -1 0 321.442 3.514 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263007341 337623067 /nfs/dbraw/zinc/62/30/67/337623067.db2.gz HBOYHWOQDXVQEP-OAHLLOKOSA-N -1 0 324.380 3.600 20 0 DHADRM CCC(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263077975 337624111 /nfs/dbraw/zinc/62/41/11/337624111.db2.gz POHBBLLTNACOMW-KRWDZBQOSA-N -1 0 313.397 3.908 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000263089714 337624175 /nfs/dbraw/zinc/62/41/75/337624175.db2.gz HSYRJEFJSXXVMO-ZFWWWQNUSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(C)cc1 ZINC000263086050 337624244 /nfs/dbraw/zinc/62/42/44/337624244.db2.gz BSNBMJGDCGBPOU-INMHGKMJSA-N -1 0 317.429 3.590 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263212490 337625561 /nfs/dbraw/zinc/62/55/61/337625561.db2.gz LRKMQBCSQQBWSO-NWDGAFQWSA-N -1 0 309.431 3.735 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N(C)CCCC(=O)[O-])cc1 ZINC000263265010 337626027 /nfs/dbraw/zinc/62/60/27/337626027.db2.gz NLIBEADCBVKHQN-GQCTYLIASA-N -1 0 303.402 3.537 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCCCC(=O)[O-] ZINC000263265473 337626061 /nfs/dbraw/zinc/62/60/61/337626061.db2.gz HFNVYPHZUWXZBO-LBPRGKRZSA-N -1 0 303.358 3.563 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2cccs2)C(C)C)c1 ZINC000263326649 337626462 /nfs/dbraw/zinc/62/64/62/337626462.db2.gz OVCXXJDWLRNAIB-UHFFFAOYSA-N -1 0 317.410 3.806 20 0 DHADRM CC[C@H](C)[C@H](C)N(C(=O)c1cc(C)cc(C(=O)[O-])c1)C1CC1 ZINC000263289759 337626793 /nfs/dbraw/zinc/62/67/93/337626793.db2.gz LVTLWQWYKXTINQ-STQMWFEESA-N -1 0 303.402 3.732 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000263360536 337626835 /nfs/dbraw/zinc/62/68/35/337626835.db2.gz YEOICABOLUOHNE-UGSOOPFHSA-N -1 0 323.392 3.933 20 0 DHADRM Cc1nc(C(=O)N2CCCCC[C@H]2CC(C)C)ccc1C(=O)[O-] ZINC000263373111 337627015 /nfs/dbraw/zinc/62/70/15/337627015.db2.gz ZELGGVLYLGIKPV-AWEZNQCLSA-N -1 0 318.417 3.519 20 0 DHADRM CCc1c(NC2CCC(C(=O)[O-])CC2)cnn1CCC(C)C ZINC000263375749 337627204 /nfs/dbraw/zinc/62/72/04/337627204.db2.gz ALVOCLIOKWNVIY-UHFFFAOYSA-N -1 0 307.438 3.547 20 0 DHADRM O=C([O-])[C@H]1CCCN1c1ncc(-c2ccc(Cl)cc2)s1 ZINC000263421483 337628552 /nfs/dbraw/zinc/62/85/52/337628552.db2.gz POTXFQCFDCQFNU-LLVKDONJSA-N -1 0 308.790 3.517 20 0 DHADRM CCCCCc1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263511601 337630859 /nfs/dbraw/zinc/63/08/59/337630859.db2.gz XZRJSLKIBVKWOI-CYBMUJFWSA-N -1 0 306.406 3.604 20 0 DHADRM C[C@@H](CCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000263520178 337631112 /nfs/dbraw/zinc/63/11/12/337631112.db2.gz GUFWBLJIJAGSGA-HOTGVXAUSA-N -1 0 317.429 3.674 20 0 DHADRM CCCC[C@H](C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263527525 337631279 /nfs/dbraw/zinc/63/12/79/337631279.db2.gz KSDDTTSEJFTKRP-HNNXBMFYSA-N -1 0 305.418 3.706 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000263578173 337631822 /nfs/dbraw/zinc/63/18/22/337631822.db2.gz SJSGMHYADOYSMZ-ZNMIVQPWSA-N -1 0 321.804 3.504 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cccc(SC)c1C)C(=O)[O-] ZINC000424379103 337828837 /nfs/dbraw/zinc/82/88/37/337828837.db2.gz HMMYKBOYCVKNBK-UHFFFAOYSA-N -1 0 324.446 3.729 20 0 DHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000536893751 337845201 /nfs/dbraw/zinc/84/52/01/337845201.db2.gz NYLNVTUUXYGFFW-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000120208457 337871500 /nfs/dbraw/zinc/87/15/00/337871500.db2.gz PARWAAGQIWKEBE-ZDUSSCGKSA-N -1 0 311.381 3.998 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000120243446 337872366 /nfs/dbraw/zinc/87/23/66/337872366.db2.gz ZBQSHVDRYQUUPE-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000120531257 337876376 /nfs/dbraw/zinc/87/63/76/337876376.db2.gz OZJQLZNLKFDUDJ-UHFFFAOYSA-N -1 0 317.819 3.519 20 0 DHADRM Cc1ccc(CN(C(=O)c2c([O-])cccc2F)C(C)C)s1 ZINC000120787020 337880198 /nfs/dbraw/zinc/88/01/98/337880198.db2.gz ROAGIEHHROLBTF-UHFFFAOYSA-N -1 0 307.390 3.952 20 0 DHADRM CC(C)C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000537644132 337955072 /nfs/dbraw/zinc/95/50/72/337955072.db2.gz JYVVJXHWIDQHDX-OFLPRAFFSA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@@H](C)CC(=O)[O-])o1 ZINC000514738103 337969756 /nfs/dbraw/zinc/96/97/56/337969756.db2.gz FJSDLUCNBDNYPS-NFAWXSAZSA-N -1 0 321.417 3.643 20 0 DHADRM CCSc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCC2)cc1 ZINC000516185241 338006115 /nfs/dbraw/zinc/00/61/15/338006115.db2.gz WIDDTRMUNFQOPL-GFCCVEGCSA-N -1 0 321.442 3.621 20 0 DHADRM Cc1cc2cc(CNCc3ccc(C(=O)[O-])c(C)n3)oc2cc1C ZINC000426650897 338037023 /nfs/dbraw/zinc/03/70/23/338037023.db2.gz HULOPXQYWMAIGX-UHFFFAOYSA-N -1 0 324.380 3.741 20 0 DHADRM Cc1ccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426677236 338037785 /nfs/dbraw/zinc/03/77/85/338037785.db2.gz KRGHDYRPXXWAGF-QGZVFWFLSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1cccc([C@@H](NCc2ccc(Cl)s2)C(=O)[O-])c1C ZINC000426714072 338038890 /nfs/dbraw/zinc/03/88/90/338038890.db2.gz BOHQSDBJQQNDSB-CQSZACIVSA-N -1 0 309.818 3.934 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000426741065 338040148 /nfs/dbraw/zinc/04/01/48/338040148.db2.gz DGFFLCZOFLCNHY-BLLLJJGKSA-N -1 0 303.789 3.892 20 0 DHADRM CCCSC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426761904 338041214 /nfs/dbraw/zinc/04/12/14/338041214.db2.gz FHWDSBMKYWSUJV-HNNXBMFYSA-N -1 0 319.426 3.633 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])C(=O)c1ccc(Cl)s1 ZINC000430079787 338094989 /nfs/dbraw/zinc/09/49/89/338094989.db2.gz SHJKWHBLTYESHV-UHFFFAOYSA-N -1 0 316.165 3.582 20 0 DHADRM O=S(=O)(Nc1ccccc1Cl)c1cnc2ccccc2c1 ZINC000430985364 338120124 /nfs/dbraw/zinc/12/01/24/338120124.db2.gz UYXKDHHTVXUBGO-UHFFFAOYSA-N -1 0 318.785 3.689 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000431440535 338130836 /nfs/dbraw/zinc/13/08/36/338130836.db2.gz JKQYEXVYFJEILM-ARFHVFGLSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])s2)o1 ZINC000431448418 338130979 /nfs/dbraw/zinc/13/09/79/338130979.db2.gz YSOPKBSHRDPDJH-LLVKDONJSA-N -1 0 321.398 3.546 20 0 DHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000431539690 338133309 /nfs/dbraw/zinc/13/33/09/338133309.db2.gz RPMAGKPTRBPBFX-DOTOQJQBSA-N -1 0 319.445 3.509 20 0 DHADRM CCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431864733 338140510 /nfs/dbraw/zinc/14/05/10/338140510.db2.gz KUKFJNLFUAALAT-SCLBCKFNSA-N -1 0 313.397 3.908 20 0 DHADRM O=C([O-])C1(NC(=O)CC/C=C\c2ccccc2)CCCCCC1 ZINC000432004457 338143518 /nfs/dbraw/zinc/14/35/18/338143518.db2.gz AEQKWGARTAWDST-SDQBBNPISA-N -1 0 315.413 3.774 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432100098 338145565 /nfs/dbraw/zinc/14/55/65/338145565.db2.gz TWHXZQOTJQXWBU-DNVCBOLYSA-N -1 0 317.429 3.747 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432102642 338145709 /nfs/dbraw/zinc/14/57/09/338145709.db2.gz LKJAEMOLVXXLMC-WBVHZDCISA-N -1 0 319.445 3.651 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432121990 338146181 /nfs/dbraw/zinc/14/61/81/338146181.db2.gz IVRJIAJKEHFBJW-QAPCUYQASA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000432129363 338146387 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O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC=C(F)C1 ZINC000436863068 338290349 /nfs/dbraw/zinc/29/03/49/338290349.db2.gz RONFMXKBISNMSY-UHFFFAOYSA-N -1 0 305.736 3.898 20 0 DHADRM CC[C@@H]1CCCC[C@H]1OCc1nc(-c2ccc(O)cc2)no1 ZINC000436867554 338290672 /nfs/dbraw/zinc/29/06/72/338290672.db2.gz CYXOPVJSZJGWJO-IUODEOHRSA-N -1 0 302.374 3.928 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000436873712 338290943 /nfs/dbraw/zinc/29/09/43/338290943.db2.gz XIEVHLHXWNOGNQ-UHFFFAOYSA-N -1 0 322.364 3.945 20 0 DHADRM CC(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1C ZINC000436880482 338291372 /nfs/dbraw/zinc/29/13/72/338291372.db2.gz RGBUHJZRNLBFLH-UHFFFAOYSA-N -1 0 312.300 3.759 20 0 DHADRM O=C(NCCCc1ccccc1F)c1ccc([O-])c(Cl)c1 ZINC000436911216 338293044 /nfs/dbraw/zinc/29/30/44/338293044.db2.gz FLMJPOWZRFGWMP-UHFFFAOYSA-N -1 0 307.752 3.547 20 0 DHADRM CC[C@H](C)c1ncc(NC(=O)c2ccc([O-])c(Cl)c2)cn1 ZINC000436918388 338293474 /nfs/dbraw/zinc/29/34/74/338293474.db2.gz GLUQAVLMKZZLSY-VIFPVBQESA-N -1 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C[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000439699882 338376117 /nfs/dbraw/zinc/37/61/17/338376117.db2.gz VWOKLUFYAZWCTI-BBRMVZONSA-N -1 0 315.413 3.808 20 0 DHADRM CCCC(O)(CCC)CNC(=O)c1cc2ccccc2cc1O ZINC000440209712 338384253 /nfs/dbraw/zinc/38/42/53/338384253.db2.gz CJDAZZTXGVZMSK-UHFFFAOYSA-N -1 0 315.413 3.607 20 0 DHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442841923 338434118 /nfs/dbraw/zinc/43/41/18/338434118.db2.gz AWGXTQRJCULSCJ-UHFFFAOYSA-N -1 0 319.407 3.956 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1Cl ZINC000160232651 338546046 /nfs/dbraw/zinc/54/60/46/338546046.db2.gz BIWINEDOTHSIBU-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCC(F)(c2ccccc2)CC1 ZINC000447610844 338562032 /nfs/dbraw/zinc/56/20/32/338562032.db2.gz JGHAFPDICPISPJ-UHFFFAOYSA-N -1 0 317.335 3.632 20 0 DHADRM C[C@@](CC(=O)[O-])(NC(=O)C1CCCCCC1)c1cccc(F)c1 ZINC000448991457 338582102 /nfs/dbraw/zinc/58/21/02/338582102.db2.gz KBBMMLMNHYFUQG-SFHVURJKSA-N -1 0 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ZINC000126871910 340838901 /nfs/dbraw/zinc/83/89/01/340838901.db2.gz LOGBTAGBFHSZQB-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)sc2C)n1 ZINC000127313523 340848963 /nfs/dbraw/zinc/84/89/63/340848963.db2.gz NCFLIJKHPBMLDO-UHFFFAOYSA-N -1 0 316.473 3.575 20 0 DHADRM O=C([O-])[C@@H](NC(=O)C1CCCCCC1)c1ccc(Cl)cc1 ZINC000539567239 340890874 /nfs/dbraw/zinc/89/08/74/340890874.db2.gz JSBCFFSLPBBETN-AWEZNQCLSA-N -1 0 309.793 3.552 20 0 DHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1[O-])C[C@H](C)O2 ZINC000539874283 340907731 /nfs/dbraw/zinc/90/77/31/340907731.db2.gz UGICHZYERSHTIA-NSHDSACASA-N -1 0 317.772 3.782 20 0 DHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)cc1 ZINC000541506560 340972237 /nfs/dbraw/zinc/97/22/37/340972237.db2.gz RYJSPYPCPMJYAL-HNNXBMFYSA-N -1 0 315.800 3.984 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1 ZINC000542504437 341010834 /nfs/dbraw/zinc/01/08/34/341010834.db2.gz SCCBDNAXYWCVBZ-XBXARRHUSA-N -1 0 309.365 3.746 20 0 DHADRM CCCN(CC)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542727151 341019047 /nfs/dbraw/zinc/01/90/47/341019047.db2.gz DJOZHGVOOVZTCM-UHFFFAOYSA-N -1 0 324.837 3.544 20 0 DHADRM C[C@H]1CCC[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000543141852 341033963 /nfs/dbraw/zinc/03/39/63/341033963.db2.gz LYYCLBCNJAFMIS-UWVGGRQHSA-N -1 0 321.833 3.655 20 0 DHADRM Cc1ccc(NC(=O)CCc2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000543447353 341045240 /nfs/dbraw/zinc/04/52/40/341045240.db2.gz DHTRFKCFPHKGIX-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM Cc1noc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000131327996 341076328 /nfs/dbraw/zinc/07/63/28/341076328.db2.gz SBZDZUMSBXOESC-UHFFFAOYSA-N -1 0 322.430 3.681 20 0 DHADRM Cc1ccc(NC(=O)CCc2cc(Cl)cs2)c(C(=O)[O-])c1 ZINC000544407857 341080912 /nfs/dbraw/zinc/08/09/12/341080912.db2.gz OWJSPQXFKVEBTN-UHFFFAOYSA-N -1 0 323.801 3.979 20 0 DHADRM CC(C)CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000544721341 341092101 /nfs/dbraw/zinc/09/21/01/341092101.db2.gz JWJJYWOZIDKPTE-QWRGUYRKSA-N -1 0 317.417 3.708 20 0 DHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000075082606 341163828 /nfs/dbraw/zinc/16/38/28/341163828.db2.gz ZBLOZLVSJLHWEU-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236653780 341192478 /nfs/dbraw/zinc/19/24/78/341192478.db2.gz ODLVRHFWBUPDRF-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CCC(CC)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000236702373 341195483 /nfs/dbraw/zinc/19/54/83/341195483.db2.gz WLLPHCNDEDYHSG-AWEZNQCLSA-N -1 0 321.398 3.947 20 0 DHADRM CCCCOc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000236716783 341196301 /nfs/dbraw/zinc/19/63/01/341196301.db2.gz KCQULLCAQWDOQM-UHFFFAOYSA-N -1 0 313.353 3.816 20 0 DHADRM CCCCC1CCC(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000236820921 341202319 /nfs/dbraw/zinc/20/23/19/341202319.db2.gz RORPBBGTBIXTDC-WLYUNCDWSA-N -1 0 309.450 3.695 20 0 DHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236886416 341203858 /nfs/dbraw/zinc/20/38/58/341203858.db2.gz RMQDXFMCPUQVOH-KRWDZBQOSA-N -1 0 311.381 3.526 20 0 DHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000237194756 341208889 /nfs/dbraw/zinc/20/88/89/341208889.db2.gz KHTGIMPEJBKADM-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCCCCC1)C(=O)[O-] ZINC000237479932 341214600 /nfs/dbraw/zinc/21/46/00/341214600.db2.gz WUTMEQLRLQHHRJ-HNNXBMFYSA-N -1 0 317.429 3.706 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000237553178 341215737 /nfs/dbraw/zinc/21/57/37/341215737.db2.gz QPKOHWWWLNOFRN-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000077009852 341217053 /nfs/dbraw/zinc/21/70/53/341217053.db2.gz AHOZPGCIOFVQPZ-HWPZZCPQSA-N -1 0 301.773 3.709 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]2CCCC[C@@H]12 ZINC000547500204 341218099 /nfs/dbraw/zinc/21/80/99/341218099.db2.gz GAZJPFDEKTVMRF-PVXIVEMSSA-N -1 0 319.376 3.565 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]2CCCC[C@H]12 ZINC000547500200 341218127 /nfs/dbraw/zinc/21/81/27/341218127.db2.gz GAZJPFDEKTVMRF-AXAPSJFSSA-N -1 0 319.376 3.565 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000237799036 341220936 /nfs/dbraw/zinc/22/09/36/341220936.db2.gz LNVYOCFHPNTHNP-GOSISDBHSA-N -1 0 323.392 3.979 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000238062840 341225416 /nfs/dbraw/zinc/22/54/16/341225416.db2.gz MCKOHGPCSQCQEB-UHFFFAOYSA-N -1 0 321.376 3.857 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC2CCC(c3ccccc3)CC2)c1 ZINC000238207231 341227743 /nfs/dbraw/zinc/22/77/43/341227743.db2.gz ROACTULSGWIIRR-UHFFFAOYSA-N -1 0 323.392 3.841 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC2(c3ccccc3)CCCC2)c1 ZINC000238207157 341227785 /nfs/dbraw/zinc/22/77/85/341227785.db2.gz SQAMNZUEFFDRQJ-UHFFFAOYSA-N -1 0 309.365 3.584 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)Cc3cccs3)ccc2s1 ZINC000238208507 341228027 /nfs/dbraw/zinc/22/80/27/341228027.db2.gz YTXRZMSMFVDOOU-UHFFFAOYSA-N -1 0 317.391 3.842 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000135822238 341246597 /nfs/dbraw/zinc/24/65/97/341246597.db2.gz YWZAHSANYRRZJY-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM O=C(Nc1cccc(O)c1F)c1ncoc1-c1ccc(F)cc1 ZINC000548105118 341247387 /nfs/dbraw/zinc/24/73/87/341247387.db2.gz GOPJYLWEGHYUJZ-UHFFFAOYSA-N -1 0 316.263 3.578 20 0 DHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc2ncccc2c1 ZINC000548477634 341262878 /nfs/dbraw/zinc/26/28/78/341262878.db2.gz ODUYNGGTIFPBOT-UHFFFAOYSA-N -1 0 323.377 3.517 20 0 DHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)c1ccccc1 ZINC000080101852 341269428 /nfs/dbraw/zinc/26/94/28/341269428.db2.gz QAFISOIGKGOQIU-NEPJUHHUSA-N -1 0 303.789 3.968 20 0 DHADRM Cc1ccc(-c2nc(/C=C/c3cc(C(=O)[O-])ccn3)co2)cc1 ZINC000550975790 341328116 /nfs/dbraw/zinc/32/81/16/341328116.db2.gz LHNVYPLBMRTSJG-VOTSOKGWSA-N -1 0 306.321 3.914 20 0 DHADRM COc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(Cl)c1OC ZINC000551347398 341339223 /nfs/dbraw/zinc/33/92/23/341339223.db2.gz HVLRFWBLFOUTKX-HYXAFXHYSA-N -1 0 319.744 3.621 20 0 DHADRM CCS(=O)(=O)[N-]c1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000551787009 341351363 /nfs/dbraw/zinc/35/13/63/341351363.db2.gz SGDZKKBRSDOOSM-UHFFFAOYSA-N -1 0 316.835 3.534 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000248728274 341385394 /nfs/dbraw/zinc/38/53/94/341385394.db2.gz JIISPTLSKNOOHB-PUYPPJJSSA-N -1 0 311.784 3.835 20 0 DHADRM CSc1cccc(F)c1CN=c1nc(C(C)(C)C)[n-]s1 ZINC000553266826 341422593 /nfs/dbraw/zinc/42/25/93/341422593.db2.gz WNJDGDKCYZNFQJ-UHFFFAOYSA-N -1 0 311.451 3.731 20 0 DHADRM Cc1cccc([C@H](C)N=c2nc(C(F)(F)F)[n-]s2)c1C ZINC000553441453 341429198 /nfs/dbraw/zinc/42/91/98/341429198.db2.gz XSPYXELFCFLJFQ-VIFPVBQESA-N -1 0 301.337 3.769 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]1c1ccccn1 ZINC000554518600 341456301 /nfs/dbraw/zinc/45/63/01/341456301.db2.gz HWJXXMACYQUJJR-CQSZACIVSA-N -1 0 320.751 3.557 20 0 DHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000262298473 341518259 /nfs/dbraw/zinc/51/82/59/341518259.db2.gz OGGKBIDXFQYXQL-UHFFFAOYSA-N -1 0 321.760 3.522 20 0 DHADRM COCCOc1ccc(-c2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000565236421 341520969 /nfs/dbraw/zinc/52/09/69/341520969.db2.gz MTLYVOZBNLSCOS-CYBMUJFWSA-N -1 0 300.354 3.567 20 0 DHADRM O=C([O-])CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000565555197 341530959 /nfs/dbraw/zinc/53/09/59/341530959.db2.gz MKMXRZIPTAVBBB-GJZGRUSLSA-N -1 0 323.820 3.737 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(-c2ccc(C3(CO)CC3)cc2)cc1 ZINC000565905145 341542049 /nfs/dbraw/zinc/54/20/49/341542049.db2.gz VORUCWSLCBUELX-UHFFFAOYSA-N -1 0 310.393 3.740 20 0 DHADRM O=C([O-])CCc1cc(F)ccc1-c1ccc(C2(CO)CC2)cc1 ZINC000566494396 341559952 /nfs/dbraw/zinc/55/99/52/341559952.db2.gz POUBBRCFAONQHW-UHFFFAOYSA-N -1 0 314.356 3.534 20 0 DHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1C ZINC000566772964 341567749 /nfs/dbraw/zinc/56/77/49/341567749.db2.gz UMWOJWYHNBGHRF-UHFFFAOYSA-N -1 0 321.380 3.553 20 0 DHADRM Cc1ccsc1[C@@H](CO)N=c1nc(C2CCCCC2)[n-]s1 ZINC000566908306 341571319 /nfs/dbraw/zinc/57/13/19/341571319.db2.gz ZBSRVQPGVMZPPN-GFCCVEGCSA-N -1 0 323.487 3.523 20 0 DHADRM CSc1cc(C)c(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])cn1 ZINC000567124595 341581557 /nfs/dbraw/zinc/58/15/57/341581557.db2.gz MBJSYZPIZAOUAH-LBPRGKRZSA-N -1 0 317.410 3.939 20 0 DHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000154042990 341583629 /nfs/dbraw/zinc/58/36/29/341583629.db2.gz BAKWCGTWXVYXNT-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM O=C([O-])CC1(CNC(=O)CCCc2cccs2)CCCCC1 ZINC000314619437 341649930 /nfs/dbraw/zinc/64/99/30/341649930.db2.gz GHHDILXLMWOKDI-UHFFFAOYSA-N -1 0 323.458 3.612 20 0 DHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC000568246737 341660974 /nfs/dbraw/zinc/66/09/74/341660974.db2.gz WPQHCARWBSDWEU-LSDHHAIUSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1ccccc1CS(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000568458740 341671848 /nfs/dbraw/zinc/67/18/48/341671848.db2.gz QWRZEEJRNXJFLA-UHFFFAOYSA-N -1 0 324.471 3.691 20 0 DHADRM CCCN(C(=O)Nc1ccc(CSC)cc1)[C@H](CC)C(=O)[O-] ZINC000568586807 341675767 /nfs/dbraw/zinc/67/57/67/341675767.db2.gz NXDGEXHHXIGPDJ-CQSZACIVSA-N -1 0 324.446 3.657 20 0 DHADRM CCCC[C@H](NC(=O)Nc1ccc2occ(C)c2c1)C(=O)[O-] ZINC000568957090 341686549 /nfs/dbraw/zinc/68/65/49/341686549.db2.gz WYTYBTGJYDOWPA-ZDUSSCGKSA-N -1 0 304.346 3.506 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc2ccccc2s1 ZINC000574212964 341752123 /nfs/dbraw/zinc/75/21/23/341752123.db2.gz HJZKTOMANVUOEW-SNVBAGLBSA-N -1 0 316.382 3.781 20 0 DHADRM CCOc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000172108689 341793378 /nfs/dbraw/zinc/79/33/78/341793378.db2.gz ISXPZFHMFUTMSX-UHFFFAOYSA-N -1 0 321.760 3.705 20 0 DHADRM Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172111774 341793535 /nfs/dbraw/zinc/79/35/35/341793535.db2.gz HHAMMHIONKUAMI-UHFFFAOYSA-N -1 0 305.761 3.680 20 0 DHADRM CC[C@@H]1CN(C(=O)C[C@H](C)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000575815290 341806428 /nfs/dbraw/zinc/80/64/28/341806428.db2.gz FOGWSVSQQZPGEA-UXLLHSPISA-N -1 0 317.429 3.530 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1s[n-]c(=O)c1Cl ZINC000575843837 341810036 /nfs/dbraw/zinc/81/00/36/341810036.db2.gz YVEMQLKPOPRYDX-NXEZZACHSA-N -1 0 316.854 3.838 20 0 DHADRM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC000575995164 341819083 /nfs/dbraw/zinc/81/90/83/341819083.db2.gz GJWZZXSCNBUSGU-CQSZACIVSA-N -1 0 311.740 3.638 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000576811269 341864229 /nfs/dbraw/zinc/86/42/29/341864229.db2.gz UTNJGTCNEPWTKD-CXAGYDPISA-N -1 0 321.417 3.544 20 0 DHADRM CCCOc1cncc(-c2ccc(C)c(C(=O)[O-])c2OC)c1 ZINC000577078079 341884019 /nfs/dbraw/zinc/88/40/19/341884019.db2.gz SPKHKUDSKOUMHV-UHFFFAOYSA-N -1 0 301.342 3.553 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc2c(ccc3ccccc23)s1 ZINC000192736928 341885135 /nfs/dbraw/zinc/88/51/35/341885135.db2.gz XBVXHMGURRMERA-UHFFFAOYSA-N -1 0 306.412 3.601 20 0 DHADRM CC(C)(C)c1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000577767655 341935775 /nfs/dbraw/zinc/93/57/75/341935775.db2.gz IDJDVDLUFAGWIL-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)CCC(=O)[O-])C1CC1 ZINC000577876335 341945846 /nfs/dbraw/zinc/94/58/46/341945846.db2.gz UUSYSCSNPQKMJY-CYBMUJFWSA-N -1 0 311.381 3.757 20 0 DHADRM CCOCc1ccc(-c2cc(CC(=O)[O-])ccc2C)cc1F ZINC000577963582 341959912 /nfs/dbraw/zinc/95/99/12/341959912.db2.gz GEORHNOTPBJHMH-UHFFFAOYSA-N -1 0 302.345 3.965 20 0 DHADRM O=S(=O)(CCCCF)[N-]c1ncc(C2CCCCC2)s1 ZINC000342456122 518202699 /nfs/dbraw/zinc/20/26/99/518202699.db2.gz WVQNZVKWQSVFLZ-UHFFFAOYSA-N -1 0 320.455 3.682 20 0 DHADRM CC(C)(CC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000236799336 519195015 /nfs/dbraw/zinc/19/50/15/519195015.db2.gz NSXACVZHWFIIMW-UHFFFAOYSA-N -1 0 317.307 3.621 20 0 DHADRM CC(C)(CC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000236799292 519195276 /nfs/dbraw/zinc/19/52/76/519195276.db2.gz CYPUEHRAGPHUON-UHFFFAOYSA-N -1 0 311.381 3.620 20 0 DHADRM CC(C)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCC1 ZINC000155801258 519579531 /nfs/dbraw/zinc/57/95/31/519579531.db2.gz PLICCNKWDQFNMK-UHFFFAOYSA-N -1 0 304.415 3.910 20 0 DHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000236606735 519777551 /nfs/dbraw/zinc/77/75/51/519777551.db2.gz RRZRNKSHXUVFPA-UHFFFAOYSA-N -1 0 313.781 3.567 20 0 DHADRM CC(C)Sc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1 ZINC000236620697 519787816 /nfs/dbraw/zinc/78/78/16/519787816.db2.gz FWTNRWOJOYRWAH-UHFFFAOYSA-N -1 0 309.431 3.512 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000262824149 519807812 /nfs/dbraw/zinc/80/78/12/519807812.db2.gz BTRVQYWLFDQDQR-LKFCYVNXSA-N -1 0 317.838 3.511 20 0 DHADRM CC(C)c1ccc(SCC(=O)NCCCCCC(=O)[O-])cc1 ZINC000261993867 519838904 /nfs/dbraw/zinc/83/89/04/519838904.db2.gz NDIUEJJGKFFNQP-UHFFFAOYSA-N -1 0 323.458 3.663 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236920025 520303127 /nfs/dbraw/zinc/30/31/27/520303127.db2.gz KHCKKLJDNNANBK-UHFFFAOYSA-N -1 0 319.382 3.796 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000273290107 534539027 /nfs/dbraw/zinc/53/90/27/534539027.db2.gz CFIOKIMQPLSHDR-UHFFFAOYSA-N -1 0 313.319 3.628 20 0 DHADRM CCC(C)(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000236839889 521276132 /nfs/dbraw/zinc/27/61/32/521276132.db2.gz PYCHLKIQLGWSQK-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC000262204021 521437093 /nfs/dbraw/zinc/43/70/93/521437093.db2.gz UYJRQKXRWPBGCC-UHFFFAOYSA-N -1 0 305.399 3.522 20 0 DHADRM CCc1ccsc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000157826401 521999616 /nfs/dbraw/zinc/99/96/16/521999616.db2.gz RWIOSCHPSXLVMV-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000132205538 522963550 /nfs/dbraw/zinc/96/35/50/522963550.db2.gz BVRQWIOVVRMNJV-CQSZACIVSA-N -1 0 304.777 3.664 20 0 DHADRM 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309.243 3.714 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000739470971 599809547 /nfs/dbraw/zinc/80/95/47/599809547.db2.gz IUQATLDIZKAORY-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM CC(C)c1nc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000676001460 599809955 /nfs/dbraw/zinc/80/99/55/599809955.db2.gz KBOGTDDYHADUIB-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM O=C([O-])c1sccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000739221523 599810889 /nfs/dbraw/zinc/81/08/89/599810889.db2.gz DGJKIJPVOXRSPR-GFCCVEGCSA-N -1 0 315.394 3.895 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 ZINC000740041848 599810942 /nfs/dbraw/zinc/81/09/42/599810942.db2.gz VZAQDHGYEQQNJV-UHFFFAOYSA-N -1 0 306.268 3.966 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(C(F)F)cc1 ZINC000739470124 599810996 /nfs/dbraw/zinc/81/09/96/599810996.db2.gz AXRRDMJWIJEAAH-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM O=C([O-])/C(=C\c1cc(Br)cs1)c1ccncc1 ZINC000739490509 599831419 /nfs/dbraw/zinc/83/14/19/599831419.db2.gz 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C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccco1 ZINC000736220189 600825910 /nfs/dbraw/zinc/82/59/10/600825910.db2.gz ZKWKZCBILPSWLN-VIFPVBQESA-N -1 0 319.382 3.660 20 0 DHADRM Cc1ccc(-c2cnc(CNc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000832906994 600826359 /nfs/dbraw/zinc/82/63/59/600826359.db2.gz JDFKDJQFXWTMTL-UHFFFAOYSA-N -1 0 308.337 3.960 20 0 DHADRM Cc1ccccc1-c1cnc(CNc2ccccc2C(=O)[O-])o1 ZINC000832974617 600826454 /nfs/dbraw/zinc/82/64/54/600826454.db2.gz KUTMHIWKRMTWQA-UHFFFAOYSA-N -1 0 308.337 3.960 20 0 DHADRM O=C([O-])c1ccc(NCc2ncc(-c3ccccc3F)o2)cc1 ZINC000833320801 600826462 /nfs/dbraw/zinc/82/64/62/600826462.db2.gz LRAJXELCRREKCF-UHFFFAOYSA-N -1 0 312.300 3.791 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1cccs1 ZINC000675949965 600828098 /nfs/dbraw/zinc/82/80/98/600828098.db2.gz BAIMQKZCJWGPHV-IHRRRGAJSA-N -1 0 321.442 3.597 20 0 DHADRM CCC[C@](C)(NC(=O)/C=C(\CC)c1ccc(C)cc1)C(=O)[O-] ZINC000736954601 600831452 /nfs/dbraw/zinc/83/14/52/600831452.db2.gz OXHOUMYZCWZAGD-SZEUEKNRSA-N -1 0 303.402 3.548 20 0 DHADRM Cc1ccc(-c2cnc(CNC3(C(=O)[O-])CCCCC3)o2)cc1 ZINC000772824142 600831509 /nfs/dbraw/zinc/83/15/09/600831509.db2.gz GKGATBILZXLZCW-UHFFFAOYSA-N -1 0 314.385 3.527 20 0 DHADRM CC/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000236896748 600836519 /nfs/dbraw/zinc/83/65/19/600836519.db2.gz FKMJQRPQRPKFLD-ZDRDQBANSA-N -1 0 323.392 3.731 20 0 DHADRM C[C@@H](SCc1c(C(=O)[O-])sc2cccc(F)c21)[C@H](C)O ZINC000235548078 600842776 /nfs/dbraw/zinc/84/27/76/600842776.db2.gz GYIVFUJPAQLRCS-JGVFFNPUSA-N -1 0 314.403 3.741 20 0 DHADRM C[C@@H](O)[C@H](C)SCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000827780226 600843223 /nfs/dbraw/zinc/84/32/23/600843223.db2.gz IJFHVFPFIRDVCJ-ZJUUUORDSA-N -1 0 323.439 3.511 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000766739043 600845388 /nfs/dbraw/zinc/84/53/88/600845388.db2.gz TULMEGJJJRWENW-UHFFFAOYSA-N -1 0 311.337 3.568 20 0 DHADRM CCCC[C@@H](Sc1nnc(CCc2ccccc2)o1)C(=O)[O-] ZINC000829295426 600845930 /nfs/dbraw/zinc/84/59/30/600845930.db2.gz DSMVVHXPZWMDJN-CYBMUJFWSA-N -1 0 320.414 3.590 20 0 DHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237329587 600846510 /nfs/dbraw/zinc/84/65/10/600846510.db2.gz QPHHSRFJTZMVQP-LBPRGKRZSA-N -1 0 315.344 3.731 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000317141904 600847340 /nfs/dbraw/zinc/84/73/40/600847340.db2.gz SJACIKGYEKAQTF-GFCCVEGCSA-N -1 0 315.756 3.559 20 0 DHADRM CC[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000325337198 600856341 /nfs/dbraw/zinc/85/63/41/600856341.db2.gz JBJYIYLTUPNSSD-HOTGVXAUSA-N -1 0 323.392 3.785 20 0 DHADRM Cc1cc(C)cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000321397931 600856424 /nfs/dbraw/zinc/85/64/24/600856424.db2.gz HMFLWWJRPWAPII-OAHLLOKOSA-N -1 0 309.365 3.522 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736403758 600856855 /nfs/dbraw/zinc/85/68/55/600856855.db2.gz JUTQMNMLCXWHKS-KBPBESRZSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)(C)CCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736250165 600859534 /nfs/dbraw/zinc/85/95/34/600859534.db2.gz GJJVYUSLERIEHA-ZDUSSCGKSA-N -1 0 303.402 3.808 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736782798 600861717 /nfs/dbraw/zinc/86/17/17/600861717.db2.gz WNDOAQNUXCTKQJ-KFWWJZLASA-N -1 0 315.413 3.808 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736782792 600861747 /nfs/dbraw/zinc/86/17/47/600861747.db2.gz WNDOAQNUXCTKQJ-ILXRZTDVSA-N -1 0 315.413 3.808 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000111470760 600868920 /nfs/dbraw/zinc/86/89/20/600868920.db2.gz ZKWQENJRIZRBCF-RKDXNWHRSA-N -1 0 316.184 3.823 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2cccc(C(F)(F)F)c2)C1 ZINC000833186943 600873480 /nfs/dbraw/zinc/87/34/80/600873480.db2.gz KNELXBOXPTUZCE-ZJUUUORDSA-N -1 0 316.275 3.502 20 0 DHADRM CC(C)c1ccc(NC(=O)CCC2CCOCC2)c(C(=O)[O-])c1 ZINC000827123713 600877177 /nfs/dbraw/zinc/87/71/77/600877177.db2.gz AANKNGFBQSAUPG-UHFFFAOYSA-N -1 0 319.401 3.654 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262870644 600879388 /nfs/dbraw/zinc/87/93/88/600879388.db2.gz XRAOWJYILRLKOR-UHFFFAOYSA-N -1 0 323.458 3.911 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262416014 600880866 /nfs/dbraw/zinc/88/08/66/600880866.db2.gz CAGREGYXTMPUOR-LBPRGKRZSA-N -1 0 323.458 3.909 20 0 DHADRM O=C([O-])c1cccc(OC(=O)CCSc2ccccc2F)c1 ZINC000833101703 600880982 /nfs/dbraw/zinc/88/09/82/600880982.db2.gz YOKYXARBXMJCLA-UHFFFAOYSA-N -1 0 320.341 3.612 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000647116580 600885328 /nfs/dbraw/zinc/88/53/28/600885328.db2.gz DCVHEMQKJIVFCI-JYJNAYRXSA-N -1 0 317.429 3.714 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000779429100 600905904 /nfs/dbraw/zinc/90/59/04/600905904.db2.gz YHQMKTYOPSIURH-UONOGXRCSA-N -1 0 317.429 3.838 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000830463684 600908083 /nfs/dbraw/zinc/90/80/83/600908083.db2.gz AFIDDVGKWZZTTH-HUUCEWRRSA-N -1 0 311.381 3.694 20 0 DHADRM CCSCc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000737231228 600914280 /nfs/dbraw/zinc/91/42/80/600914280.db2.gz IRPRZAGMNYTWFN-CQSZACIVSA-N -1 0 324.446 3.561 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237048544 600918779 /nfs/dbraw/zinc/91/87/79/600918779.db2.gz BHTCZYFTYXQALD-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)C[C@@H](C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000736402035 600919776 /nfs/dbraw/zinc/91/97/76/600919776.db2.gz NQJVTFLPWQGVLZ-DLBZAZTESA-N -1 0 319.445 3.679 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000833328586 600921852 /nfs/dbraw/zinc/92/18/52/600921852.db2.gz QMTNEBNGPCFPLY-UHFFFAOYSA-N -1 0 323.270 3.742 20 0 DHADRM CCC(CC)(NC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000828842123 600922291 /nfs/dbraw/zinc/92/22/91/600922291.db2.gz QYSZMCOPDBQMDU-UHFFFAOYSA-N -1 0 323.392 3.631 20 0 DHADRM CCC(CC)(NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000342569314 600925894 /nfs/dbraw/zinc/92/58/94/600925894.db2.gz PMGOUJYKDMZIIL-UHFFFAOYSA-N -1 0 317.385 3.731 20 0 DHADRM CCC(CC)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000321449453 600926052 /nfs/dbraw/zinc/92/60/52/600926052.db2.gz XTKQWJPDJNFURC-UHFFFAOYSA-N -1 0 311.381 3.727 20 0 DHADRM CCCC[C@@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC000736985202 600935956 /nfs/dbraw/zinc/93/59/56/600935956.db2.gz MUMDJHUGEVKQLK-GFCCVEGCSA-N -1 0 306.387 3.781 20 0 DHADRM CCCC[C@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC000736985207 600936054 /nfs/dbraw/zinc/93/60/54/600936054.db2.gz MUMDJHUGEVKQLK-LBPRGKRZSA-N -1 0 306.387 3.781 20 0 DHADRM CCCC[C@H](Sc1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000736984878 600937493 /nfs/dbraw/zinc/93/74/93/600937493.db2.gz LMBXDMBELUYDOE-LBPRGKRZSA-N -1 0 316.806 3.847 20 0 DHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCCC2CCCC2)c1 ZINC000832183429 600939047 /nfs/dbraw/zinc/93/90/47/600939047.db2.gz YPHDNOORHDHDPS-UHFFFAOYSA-N -1 0 306.358 3.659 20 0 DHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CCC(F)(F)F ZINC000833096482 600939369 /nfs/dbraw/zinc/93/93/69/600939369.db2.gz LADQCAZYSXCPMH-UHFFFAOYSA-N -1 0 312.243 3.786 20 0 DHADRM O=C([O-])c1ccc(OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833321608 600940766 /nfs/dbraw/zinc/94/07/66/600940766.db2.gz JRQZSXRRCJLWCR-YLJYHZDGSA-N -1 0 322.360 3.584 20 0 DHADRM O=C([O-])Nc1cccc(OCc2ccc(-n3cccn3)cc2)c1 ZINC000740040550 600943445 /nfs/dbraw/zinc/94/34/45/600943445.db2.gz IPJJJKIKAYMEKL-UHFFFAOYSA-N -1 0 309.325 3.541 20 0 DHADRM CC(C)C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000826812057 600954023 /nfs/dbraw/zinc/95/40/23/600954023.db2.gz HCLJTMCHMNKKIU-INIZCTEOSA-N -1 0 317.385 3.533 20 0 DHADRM O=C([O-])C[C@@H]1CN(Cc2ccc(Cl)s2)c2ccccc21 ZINC000148087558 600960964 /nfs/dbraw/zinc/96/09/64/600960964.db2.gz LCAFDBKKDSSOSO-SNVBAGLBSA-N -1 0 307.802 3.980 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736782211 600962763 /nfs/dbraw/zinc/96/27/63/600962763.db2.gz BURHPIQDGXPUPL-IIDMSEBBSA-N -1 0 317.429 3.660 20 0 DHADRM O=C([O-])C[C@@H]1CN(CCOC2CCCCCC2)c2ccccc21 ZINC000739654108 600964366 /nfs/dbraw/zinc/96/43/66/600964366.db2.gz SEYXVDKLCXDNHL-OAHLLOKOSA-N -1 0 317.429 3.804 20 0 DHADRM O=C([O-])C[C@H]1CN(Cc2cc(F)ccc2F)c2ccccc21 ZINC000316873017 600964449 /nfs/dbraw/zinc/96/44/49/600964449.db2.gz AYGVTHYFHMRWIQ-NSHDSACASA-N -1 0 303.308 3.543 20 0 DHADRM O=C([O-])c1ccc(-c2csc(NC(=O)CC3CCC3)n2)cc1 ZINC000833094203 600964602 /nfs/dbraw/zinc/96/46/02/600964602.db2.gz SEVHMGMBRGRTHS-UHFFFAOYSA-N -1 0 316.382 3.637 20 0 DHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827427168 600965554 /nfs/dbraw/zinc/96/55/54/600965554.db2.gz CNMNHBJITWCOTQ-SNVBAGLBSA-N -1 0 321.373 3.793 20 0 DHADRM O=C(/C=C\C1CC1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833093458 600969761 /nfs/dbraw/zinc/96/97/61/600969761.db2.gz XKJOYPGEILAGDX-HJWRWDBZSA-N -1 0 305.399 3.620 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000829356792 600970304 /nfs/dbraw/zinc/97/03/04/600970304.db2.gz KNDNBHVOTGFJJP-KRWDZBQOSA-N -1 0 322.405 3.811 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000833164539 600971250 /nfs/dbraw/zinc/97/12/50/600971250.db2.gz XWIYLDBLAVYUCC-UHFFFAOYSA-N -1 0 317.366 3.630 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000828594474 600973303 /nfs/dbraw/zinc/97/33/03/600973303.db2.gz CUFGZTHTJOSTGP-ZFWWWQNUSA-N -1 0 315.369 3.588 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000833185214 600973956 /nfs/dbraw/zinc/97/39/56/600973956.db2.gz KYRQRTKVHHPBJX-GZBFAFLISA-N -1 0 321.804 3.504 20 0 DHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000237699885 600992986 /nfs/dbraw/zinc/99/29/86/600992986.db2.gz YZHKXZLHTVWGGA-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM O=C([O-])c1ccccc1OC(=O)[C@H]1CCSc2ccccc21 ZINC000740239635 600993361 /nfs/dbraw/zinc/99/33/61/600993361.db2.gz JEVUPSNNJZDAPB-LBPRGKRZSA-N -1 0 314.362 3.570 20 0 DHADRM O=C([O-])c1ccc(OC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000738690576 600994587 /nfs/dbraw/zinc/99/45/87/600994587.db2.gz MDPIWSQJQYBHGJ-CQSZACIVSA-N -1 0 314.362 3.570 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000832915990 600997114 /nfs/dbraw/zinc/99/71/14/600997114.db2.gz KWKZZPWEZRCOBW-WCQYABFASA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccccc1-c1cnc(CN[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000832975749 600997232 /nfs/dbraw/zinc/99/72/32/600997232.db2.gz ZHSGNGFBKAPUBM-GOSISDBHSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1oc(COC(=O)[C@@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000738982434 600998409 /nfs/dbraw/zinc/99/84/09/600998409.db2.gz ONCJRHLTMCXHSG-VIFPVBQESA-N -1 0 322.744 3.787 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000829238614 601008651 /nfs/dbraw/zinc/00/86/51/601008651.db2.gz YBKGHKVBQQGGTD-QGZVFWFLSA-N -1 0 304.390 3.819 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCC3(C2)CCCCC3)c1 ZINC000323685079 601011351 /nfs/dbraw/zinc/01/13/51/601011351.db2.gz QMVVTMFDKDGAAO-UHFFFAOYSA-N -1 0 320.364 3.712 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736985277 601018909 /nfs/dbraw/zinc/01/89/09/601018909.db2.gz VERMXMGPCZHAGE-ZBFHGGJFSA-N -1 0 305.418 3.877 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000829043886 601023445 /nfs/dbraw/zinc/02/34/45/601023445.db2.gz HFVVZPMFCZUCSU-INIZCTEOSA-N -1 0 305.378 3.821 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000828240436 601024290 /nfs/dbraw/zinc/02/42/90/601024290.db2.gz VSTNMBUPWDMTNW-QWRGUYRKSA-N -1 0 308.353 3.566 20 0 DHADRM C[C@H]1CCC[C@H](CC(=O)N(CCC(=O)[O-])c2cccc(F)c2)C1 ZINC000736775251 601028555 /nfs/dbraw/zinc/02/85/55/601028555.db2.gz OANRPUUWWATYES-KBPBESRZSA-N -1 0 321.392 3.850 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000829238121 601031219 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CCCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829266073 601062521 /nfs/dbraw/zinc/06/25/21/601062521.db2.gz GCNGNJVCLPZRND-LBPRGKRZSA-N -1 0 305.157 3.853 20 0 DHADRM CC/C(=C\C(=O)N[C@@](C)(CC)C(=O)[O-])c1cccc(Cl)c1 ZINC000828548899 601063733 /nfs/dbraw/zinc/06/37/33/601063733.db2.gz GUPBNEDNRNDRDW-OFAQMXQXSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1C(=O)[O-] ZINC000237716991 601064785 /nfs/dbraw/zinc/06/47/85/601064785.db2.gz YKSUYUDJZXSJFR-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262533574 601070507 /nfs/dbraw/zinc/07/05/07/601070507.db2.gz SXZLYRROFHYTQN-NVXWUHKLSA-N -1 0 317.429 3.578 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(C)o1 ZINC000832866513 601078907 /nfs/dbraw/zinc/07/89/07/601078907.db2.gz DOBAZAYZHPVWHJ-UHFFFAOYSA-N -1 0 322.386 3.601 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2(C)CCCCC2)cc1 ZINC000321485160 601087093 /nfs/dbraw/zinc/08/70/93/601087093.db2.gz 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601097909 /nfs/dbraw/zinc/09/79/09/601097909.db2.gz KUENYXNFFVPHKT-KPKJPENVSA-N -1 0 302.399 3.612 20 0 DHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000683327878 601114559 /nfs/dbraw/zinc/11/45/59/601114559.db2.gz ZPNGFNCVWFRESA-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CCC(CC)N(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)C1CC1 ZINC000828858884 601128928 /nfs/dbraw/zinc/12/89/28/601128928.db2.gz DVCCGJCWYSRXNH-UHFFFAOYSA-N -1 0 304.390 3.878 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)N(C2CC2)C2CCCC2)ccc1F ZINC000833284074 601132492 /nfs/dbraw/zinc/13/24/92/601132492.db2.gz YZFSAFKMHZLGNM-UHFFFAOYSA-N -1 0 321.352 3.855 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(F)cc1F ZINC000317078884 601134008 /nfs/dbraw/zinc/13/40/08/601134008.db2.gz VCTSFLRZPCUJDM-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C(C)(C)C1 ZINC000380381294 601134546 /nfs/dbraw/zinc/13/45/46/601134546.db2.gz PUMLYTAYWFOSMQ-GFCCVEGCSA-N -1 0 318.417 3.701 20 0 DHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000309814571 601139143 /nfs/dbraw/zinc/13/91/43/601139143.db2.gz AORSZZBZGFKEIX-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC000832947154 601139800 /nfs/dbraw/zinc/13/98/00/601139800.db2.gz VFTHDFDLYMVADV-CYBMUJFWSA-N -1 0 324.380 3.844 20 0 DHADRM Cc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000071319867 601144737 /nfs/dbraw/zinc/14/47/37/601144737.db2.gz ZKKDRLZKIUBFLU-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000681680388 601145038 /nfs/dbraw/zinc/14/50/38/601145038.db2.gz FFZUVUZOFASYRP-UHFFFAOYSA-N -1 0 303.383 3.716 20 0 DHADRM Cc1ccccc1N(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)C ZINC000832978618 601154122 /nfs/dbraw/zinc/15/41/22/601154122.db2.gz NODDOHQPGMTGII-LSDHHAIUSA-N -1 0 303.402 3.627 20 0 DHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000827682088 601176490 /nfs/dbraw/zinc/17/64/90/601176490.db2.gz 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Cc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])o1 ZINC000832872487 601283123 /nfs/dbraw/zinc/28/31/23/601283123.db2.gz YFNOHWVUDURFJR-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000826014873 601287228 /nfs/dbraw/zinc/28/72/28/601287228.db2.gz XOQWIGBLDOCNDZ-LBPRGKRZSA-N -1 0 303.402 3.814 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)s1 ZINC000237673046 601295819 /nfs/dbraw/zinc/29/58/19/601295819.db2.gz RBVVXSYWQRFMRS-IAQYHMDHSA-N -1 0 317.410 3.557 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Cl)c1Cl ZINC000262041748 601305247 /nfs/dbraw/zinc/30/52/47/601305247.db2.gz CZYRICSBZNPPBQ-UHFFFAOYSA-N -1 0 318.200 3.757 20 0 DHADRM Cc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000832948788 601338989 /nfs/dbraw/zinc/33/89/89/601338989.db2.gz DXRDFDRZRXPPSO-GFCCVEGCSA-N -1 0 314.410 3.741 20 0 DHADRM COc1ccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832407237 601339064 /nfs/dbraw/zinc/33/90/64/601339064.db2.gz 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ZINC000391277476 601406616 /nfs/dbraw/zinc/40/66/16/601406616.db2.gz NCGODUHSDYHIMP-UHFFFAOYSA-N -1 0 312.369 3.606 20 0 DHADRM C/C(=C\COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000825752987 601424425 /nfs/dbraw/zinc/42/44/25/601424425.db2.gz QAVRLSODGAQZPW-OKYZRPEMSA-N -1 0 310.349 3.517 20 0 DHADRM C/C(=C\COC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000825752180 601428429 /nfs/dbraw/zinc/42/84/29/601428429.db2.gz JUUBVHYZRLOCTP-WHXYTISESA-N -1 0 317.168 3.671 20 0 DHADRM CC(C)c1cnc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000827140034 601430512 /nfs/dbraw/zinc/43/05/12/601430512.db2.gz WZNJIUFSSBUXIE-CABCVRRESA-N -1 0 320.433 3.653 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cccc(Nc3ccccc3)c2)CCC1 ZINC000653321975 601434787 /nfs/dbraw/zinc/43/47/87/601434787.db2.gz GCZMEIAVBNREHX-UHFFFAOYSA-N -1 0 324.380 3.557 20 0 DHADRM CC1(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)CCC1 ZINC000827975773 601440272 /nfs/dbraw/zinc/44/02/72/601440272.db2.gz GCFQEGLQTLKVSE-UHFFFAOYSA-N -1 0 316.382 3.637 20 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602754022 /nfs/dbraw/zinc/75/40/22/602754022.db2.gz RCIRLWJGKGJRND-AWEZNQCLSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)(CCC(=O)Nc1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000738744000 602783930 /nfs/dbraw/zinc/78/39/30/602783930.db2.gz LTXZPUWGERHMPQ-UHFFFAOYSA-N -1 0 319.188 3.758 20 0 DHADRM C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccs1 ZINC000738641129 602796101 /nfs/dbraw/zinc/79/61/01/602796101.db2.gz XLKPKIGXBXPXJT-LLVKDONJSA-N -1 0 318.398 3.600 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738262350 602813826 /nfs/dbraw/zinc/81/38/26/602813826.db2.gz YODADQVUIXNZEA-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM O=C([O-])Nc1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1F ZINC000740693118 602856483 /nfs/dbraw/zinc/85/64/83/602856483.db2.gz OWXBWFAGPMRMJN-UHFFFAOYSA-N -1 0 320.364 3.712 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2)o1 ZINC000738264202 602881346 /nfs/dbraw/zinc/88/13/46/602881346.db2.gz KYVOALPYCIZBFZ-CQSZACIVSA-N -1 0 314.341 3.655 20 0 DHADRM Cc1ccc(C(=O)NC/C=C\c2ccccc2)cc1NC(=O)[O-] ZINC000830216185 602923000 /nfs/dbraw/zinc/92/30/00/602923000.db2.gz FUFASUAEFLDZOZ-YVMONPNESA-N -1 0 310.353 3.528 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000738666245 602941561 /nfs/dbraw/zinc/94/15/61/602941561.db2.gz VMWAFFMACYIZET-ZDUSSCGKSA-N -1 0 315.329 3.739 20 0 DHADRM CCOc1ccccc1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737218459 602951944 /nfs/dbraw/zinc/95/19/44/602951944.db2.gz OESHUDKGUDWVSS-UHFFFAOYSA-N -1 0 315.329 3.819 20 0 DHADRM Cc1ccc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1NC(=O)[O-] ZINC000830206049 602953026 /nfs/dbraw/zinc/95/30/26/602953026.db2.gz WLQUOYYGJRTVMR-JYAVWHMHSA-N -1 0 304.390 3.639 20 0 DHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)cc1NC(=O)[O-] ZINC000830193552 602958377 /nfs/dbraw/zinc/95/83/77/602958377.db2.gz WDBGTAWYNZNADI-OAHLLOKOSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736223585 602961430 /nfs/dbraw/zinc/96/14/30/602961430.db2.gz 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CC[C@@H]1CCCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739274307 603038190 /nfs/dbraw/zinc/03/81/90/603038190.db2.gz WOEKJVOWMBTQTL-LLVKDONJSA-N -1 0 309.341 3.712 20 0 DHADRM C[C@@H]1CCCCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739102310 603039322 /nfs/dbraw/zinc/03/93/22/603039322.db2.gz WFQSPYZAPYHWLA-SNVBAGLBSA-N -1 0 309.341 3.712 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739270863 603040805 /nfs/dbraw/zinc/04/08/05/603040805.db2.gz MOVSBVCZUSQLMR-SNVBAGLBSA-N -1 0 309.341 3.570 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1cccs1 ZINC000823738574 603042085 /nfs/dbraw/zinc/04/20/85/603042085.db2.gz YVABGHDVNCPFQT-SNVBAGLBSA-N -1 0 305.355 3.571 20 0 DHADRM Cc1ccc(CC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1C ZINC000830290095 603046852 /nfs/dbraw/zinc/04/68/52/603046852.db2.gz YWSGTPMPFMCZIP-UHFFFAOYSA-N -1 0 313.353 3.566 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000826768152 603067450 /nfs/dbraw/zinc/06/74/50/603067450.db2.gz CKHPNUULJOJSPA-SWLSCSKDSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)(C)c1cnc(NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000823863735 603072120 /nfs/dbraw/zinc/07/21/20/603072120.db2.gz BIKIUXNZIFPCHI-UHFFFAOYSA-N -1 0 319.386 3.783 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NCCOc2cccc(F)c2)cc1 ZINC000739016398 603104548 /nfs/dbraw/zinc/10/45/48/603104548.db2.gz GRKLLCZRNQFBRC-GFCCVEGCSA-N -1 0 318.348 3.645 20 0 DHADRM CCCCc1noc([C@@H](C)Oc2ccc(NC(=O)[O-])cc2)n1 ZINC000737003464 603155648 /nfs/dbraw/zinc/15/56/48/603155648.db2.gz HOSOPMJAMLMTOS-SNVBAGLBSA-N -1 0 305.334 3.642 20 0 DHADRM Cc1ccccc1CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830567143 603172023 /nfs/dbraw/zinc/17/20/23/603172023.db2.gz MCOBFSARJDBSKN-ZDUSSCGKSA-N -1 0 312.369 3.505 20 0 DHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000829966424 603172231 /nfs/dbraw/zinc/17/22/31/603172231.db2.gz ZFORLGJAXLIWOT-JTQLQIEISA-N -1 0 318.398 3.946 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000739922605 603173824 /nfs/dbraw/zinc/17/38/24/603173824.db2.gz RTRIXQLWUFRVQG-QWRGUYRKSA-N -1 0 306.362 3.550 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830288361 603174064 /nfs/dbraw/zinc/17/40/64/603174064.db2.gz JYWNWCRAONZHGH-LLVKDONJSA-N -1 0 318.398 3.566 20 0 DHADRM COc1ccc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000829389343 603179675 /nfs/dbraw/zinc/17/96/75/603179675.db2.gz JRZLXOIDFAUPDU-CYBMUJFWSA-N -1 0 314.385 3.944 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000830465128 603181682 /nfs/dbraw/zinc/18/16/82/603181682.db2.gz IWHXIXAVDBQWPM-CYBMUJFWSA-N -1 0 312.369 3.884 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000825417360 603188408 /nfs/dbraw/zinc/18/84/08/603188408.db2.gz PSRNFFPDXNGZAK-GFCCVEGCSA-N -1 0 304.390 3.924 20 0 DHADRM C/C(=C/C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823527100 603192538 /nfs/dbraw/zinc/19/25/38/603192538.db2.gz GMHIMRJLVYWBLD-WEHUKYGOSA-N -1 0 304.390 3.946 20 0 DHADRM C/C(=C\C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823527098 603192812 /nfs/dbraw/zinc/19/28/12/603192812.db2.gz GMHIMRJLVYWBLD-IIANPFDCSA-N -1 0 304.390 3.946 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738893284 603192931 /nfs/dbraw/zinc/19/29/31/603192931.db2.gz BPIZTGIEAYKFOM-SNVBAGLBSA-N -1 0 310.369 3.860 20 0 DHADRM CCSc1cccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000739519335 603206905 /nfs/dbraw/zinc/20/69/05/603206905.db2.gz STHYOYHNARIEBZ-VXGBXAGGSA-N -1 0 322.430 3.564 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000823859560 603213092 /nfs/dbraw/zinc/21/30/92/603213092.db2.gz RWHBVNHPZWGPEG-UHFFFAOYSA-N -1 0 316.357 3.597 20 0 DHADRM C[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739099776 603215498 /nfs/dbraw/zinc/21/54/98/603215498.db2.gz YYVAYFGPIMBPJN-UWVGGRQHSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@H]1C ZINC000739109200 603216715 /nfs/dbraw/zinc/21/67/15/603216715.db2.gz 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CCC[C@@H](C)N(C)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739304595 603352578 /nfs/dbraw/zinc/35/25/78/603352578.db2.gz ZVEXAGHEKURRCD-CYBMUJFWSA-N -1 0 321.421 3.839 20 0 DHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CC1CCC1 ZINC000832839389 603355107 /nfs/dbraw/zinc/35/51/07/603355107.db2.gz WZDICHUQTAHGFO-UHFFFAOYSA-N -1 0 316.279 3.924 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC000739449547 603355639 /nfs/dbraw/zinc/35/56/39/603355639.db2.gz YDWCAZFAEJZJFT-CYBMUJFWSA-N -1 0 319.405 3.593 20 0 DHADRM C[C@H]1CCCCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739101053 603362850 /nfs/dbraw/zinc/36/28/50/603362850.db2.gz UJIDZRULNJBTPQ-ZDUSSCGKSA-N -1 0 319.405 3.593 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCC(C)(C)C2)cc1 ZINC000825426770 603380002 /nfs/dbraw/zinc/38/00/02/603380002.db2.gz JJUWDEMSXIZZRJ-GFCCVEGCSA-N -1 0 319.405 3.669 20 0 DHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CCC1CC1 ZINC000740702289 603388966 /nfs/dbraw/zinc/38/89/66/603388966.db2.gz 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ZINC000825779030 603528982 /nfs/dbraw/zinc/52/89/82/603528982.db2.gz VYBPYBOXHJFDRR-DYVFJYSZSA-N -1 0 324.380 3.795 20 0 DHADRM CC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824323500 603535145 /nfs/dbraw/zinc/53/51/45/603535145.db2.gz DTOIXXMSUQGJDP-DGCLKSJQSA-N -1 0 324.808 3.518 20 0 DHADRM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)c1ncc(C(C)(C)C)o1 ZINC000825485921 603618000 /nfs/dbraw/zinc/61/80/00/603618000.db2.gz SMLMLPPKGJJBJS-GFCCVEGCSA-N -1 0 323.437 3.593 20 0 DHADRM Cc1nc(C)c(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)s1 ZINC000830709519 603645216 /nfs/dbraw/zinc/64/52/16/603645216.db2.gz KXJOEUMGULNFNF-UHFFFAOYSA-N -1 0 316.342 3.567 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1Cl ZINC000830522643 603770991 /nfs/dbraw/zinc/77/09/91/603770991.db2.gz TZYZMVWSIPKGRG-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CCCCCC(C)(C)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826819901 603882381 /nfs/dbraw/zinc/88/23/81/603882381.db2.gz HQHDXMRDHOSWKC-UHFFFAOYSA-N -1 0 312.454 3.630 20 0 DHADRM O=C([O-])N1CCCN(Cc2nc3ccccc3o2)c2ccccc21 ZINC000832015107 603912346 /nfs/dbraw/zinc/91/23/46/603912346.db2.gz JILPLOYGXUCOJC-UHFFFAOYSA-N -1 0 323.352 3.723 20 0 DHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000832294989 603941748 /nfs/dbraw/zinc/94/17/48/603941748.db2.gz FIYRIPKYONQFJA-HUUCEWRRSA-N -1 0 324.380 3.728 20 0 DHADRM Cc1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c(C)s1 ZINC000829965870 603944304 /nfs/dbraw/zinc/94/43/04/603944304.db2.gz NBMJLMOFMHDKMM-UHFFFAOYSA-N -1 0 316.382 3.658 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1C ZINC000830234908 603946330 /nfs/dbraw/zinc/94/63/30/603946330.db2.gz ZGOQCJWRULRRSS-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830473644 603959323 /nfs/dbraw/zinc/95/93/23/603959323.db2.gz XTFAZAYAQBJNOR-CYBMUJFWSA-N -1 0 324.380 3.778 20 0 DHADRM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000825864970 604022335 /nfs/dbraw/zinc/02/23/35/604022335.db2.gz 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/nfs/dbraw/zinc/24/91/64/604249164.db2.gz BYDGKDBTLIUEIU-UHFFFAOYSA-N -1 0 305.355 3.546 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1-c1ncco1 ZINC000821092947 604272955 /nfs/dbraw/zinc/27/29/55/604272955.db2.gz AAWRQBQLGVVYME-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000799243525 604282430 /nfs/dbraw/zinc/28/24/30/604282430.db2.gz FUCBYTSQFJWHAS-OAHLLOKOSA-N -1 0 317.772 3.546 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829244924 604294675 /nfs/dbraw/zinc/29/46/75/604294675.db2.gz DPKZVNHZVXATKM-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000828709959 604309864 /nfs/dbraw/zinc/30/98/64/604309864.db2.gz USLSOPPYUGDMJB-QWRGUYRKSA-N -1 0 307.365 3.563 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828740387 604320288 /nfs/dbraw/zinc/32/02/88/604320288.db2.gz WITORKVWTCIYHG-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827124191 604339628 /nfs/dbraw/zinc/33/96/28/604339628.db2.gz KWXFBIUWKOLAEI-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2ccnc(Cl)c2)cc1 ZINC000825402138 604345866 /nfs/dbraw/zinc/34/58/66/604345866.db2.gz ICPGXIIJOXRUHS-JTQLQIEISA-N -1 0 305.765 3.676 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2nccc3occc32)cc1 ZINC000825403486 604346611 /nfs/dbraw/zinc/34/66/11/604346611.db2.gz WZUJSZIZBJKHBW-NSHDSACASA-N -1 0 311.341 3.769 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2ccc(Cl)cn2)cc1 ZINC000825401768 604347476 /nfs/dbraw/zinc/34/74/76/604347476.db2.gz FTGHERUHSFIJFO-JTQLQIEISA-N -1 0 305.765 3.676 20 0 DHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000825809295 604368105 /nfs/dbraw/zinc/36/81/05/604368105.db2.gz SAPDBHUFMPYKNR-GFCCVEGCSA-N -1 0 320.389 3.525 20 0 DHADRM Cc1ccsc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832984175 604373939 /nfs/dbraw/zinc/37/39/39/604373939.db2.gz LSPXXDJFWJFTDX-AWEZNQCLSA-N -1 0 317.410 3.638 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000318348752 604377116 /nfs/dbraw/zinc/37/71/16/604377116.db2.gz CBGZNHZDZYUCDP-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM Cc1cccc(C)c1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830487846 604385932 /nfs/dbraw/zinc/38/59/32/604385932.db2.gz DNWXOEXTMWFQJY-HUUCEWRRSA-N -1 0 318.417 3.658 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000826091090 604390839 /nfs/dbraw/zinc/39/08/39/604390839.db2.gz ZPWLAZYQSAMXAX-SWNWVQGVSA-N -1 0 323.392 3.668 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1sccc1C ZINC000829026595 604426838 /nfs/dbraw/zinc/42/68/38/604426838.db2.gz JVQZEYBIDNDALP-CQSZACIVSA-N -1 0 317.410 3.735 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)s1 ZINC000829026128 604426921 /nfs/dbraw/zinc/42/69/21/604426921.db2.gz GWWIBNQFUPUPTR-CQSZACIVSA-N -1 0 317.410 3.735 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccccc1C ZINC000829027133 604429217 /nfs/dbraw/zinc/42/92/17/604429217.db2.gz NDTVUDVZPIGQPX-KRWDZBQOSA-N -1 0 311.381 3.673 20 0 DHADRM CC(C)(C)SCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000833446776 604469297 /nfs/dbraw/zinc/46/92/97/604469297.db2.gz IHEQZGCQEIRHLK-AWEZNQCLSA-N -1 0 310.415 3.667 20 0 DHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828515436 604485003 /nfs/dbraw/zinc/48/50/03/604485003.db2.gz CHNRVLWDJNTMDM-LKFCYVNXSA-N -1 0 316.382 3.501 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)o1 ZINC000832929029 604485970 /nfs/dbraw/zinc/48/59/70/604485970.db2.gz ZXNGXNOSSWHHAR-LLVKDONJSA-N -1 0 320.370 3.717 20 0 DHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000826832126 604487144 /nfs/dbraw/zinc/48/71/44/604487144.db2.gz MDSTYJRCMYNHKX-LLVKDONJSA-N -1 0 310.419 3.736 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832873890 604493065 /nfs/dbraw/zinc/49/30/65/604493065.db2.gz BGRQATWHKNZZRT-NSHDSACASA-N -1 0 318.398 3.946 20 0 DHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1c(F)cccc1F ZINC000833533100 604497097 /nfs/dbraw/zinc/49/70/97/604497097.db2.gz WALXIVAIGQTDFX-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)CC2 ZINC000832962319 604497910 /nfs/dbraw/zinc/49/79/10/604497910.db2.gz UGIFXDCLXNXNJG-ZDUSSCGKSA-N -1 0 316.382 3.564 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827958553 604504441 /nfs/dbraw/zinc/50/44/41/604504441.db2.gz XKNMIPKWUUHPHH-MRVPVSSYSA-N -1 0 310.400 3.733 20 0 DHADRM O=C([O-])c1csc(NC(=O)N(C2CC2)C2CCCCC2)c1 ZINC000833340234 604517493 /nfs/dbraw/zinc/51/74/93/604517493.db2.gz FHAMUVIOSSQCKL-UHFFFAOYSA-N -1 0 308.403 3.775 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000833151623 604519811 /nfs/dbraw/zinc/51/98/11/604519811.db2.gz RVSCODWXLYEZSC-NEPJUHHUSA-N -1 0 308.403 3.537 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000833342426 604527270 /nfs/dbraw/zinc/52/72/70/604527270.db2.gz 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605358700 /nfs/dbraw/zinc/35/87/00/605358700.db2.gz WLFVFGAZZCHKGR-UHFFFAOYSA-N -1 0 323.308 3.684 20 0 DHADRM C[C@@H]1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000833610694 605370413 /nfs/dbraw/zinc/37/04/13/605370413.db2.gz XUHQXGOIJUDJRF-JLZZUVOBSA-N -1 0 311.381 3.518 20 0 DHADRM CC(C)n1cccc1C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833513502 605405073 /nfs/dbraw/zinc/40/50/73/605405073.db2.gz LXSWGDYLBMVVAV-UHFFFAOYSA-N -1 0 302.330 3.516 20 0 DHADRM O=C([O-])Nc1ccc(CNc2ccccc2Br)cn1 ZINC000834260674 605426287 /nfs/dbraw/zinc/42/62/87/605426287.db2.gz WFMPLSICSSKYBC-UHFFFAOYSA-N -1 0 322.162 3.546 20 0 DHADRM Cc1cncc(C=Cc2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000830639736 605459672 /nfs/dbraw/zinc/45/96/72/605459672.db2.gz OJKTXYWRJFUINZ-AATRIKPKSA-N -1 0 322.324 3.700 20 0 DHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000263007715 605469233 /nfs/dbraw/zinc/46/92/33/605469233.db2.gz WEBYBTGWXXJCAS-GFCCVEGCSA-N -1 0 323.820 3.595 20 0 DHADRM C[C@@H](SCc1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000833545132 605490999 /nfs/dbraw/zinc/49/09/99/605490999.db2.gz DQJWVDUHQCGPPG-SSDOTTSWSA-N -1 0 315.366 3.795 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000833384329 605501890 /nfs/dbraw/zinc/50/18/90/605501890.db2.gz PSFLDOQZHBGEEY-NTMALXAHSA-N -1 0 316.382 3.500 20 0 DHADRM Cc1ccc(C[C@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000833748929 605509342 /nfs/dbraw/zinc/50/93/42/605509342.db2.gz XHMBMMQZNPNYJS-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM O=C([O-])NCc1ccc(C(=O)Nc2csc3ccccc23)o1 ZINC000834249016 605540590 /nfs/dbraw/zinc/54/05/90/605540590.db2.gz MMTLTLFPLRSYEN-UHFFFAOYSA-N -1 0 316.338 3.514 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCCC23CCCCC3)c1 ZINC000834263712 605558343 /nfs/dbraw/zinc/55/83/43/605558343.db2.gz WQGSMKCQRRGWRI-UHFFFAOYSA-N -1 0 302.374 3.715 20 0 DHADRM Cc1cc(C(=O)Nc2ccccc2Cl)ccc1NC(=O)[O-] ZINC000829965658 605565508 /nfs/dbraw/zinc/56/55/08/605565508.db2.gz CIHATPQJXDDGOL-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829909510 605581092 /nfs/dbraw/zinc/58/10/92/605581092.db2.gz ULIXFOVPGKCHFO-ZDUSSCGKSA-N -1 0 312.369 3.918 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1NC(=O)[O-] ZINC000829940783 605588360 /nfs/dbraw/zinc/58/83/60/605588360.db2.gz PPPLGYGSMJPVRI-KRWDZBQOSA-N -1 0 324.380 3.966 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1NC(=O)[O-] ZINC000829909460 605596173 /nfs/dbraw/zinc/59/61/73/605596173.db2.gz STJCPRIMMALYML-LLVKDONJSA-N -1 0 302.330 3.511 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC000833592870 605601516 /nfs/dbraw/zinc/60/15/16/605601516.db2.gz DULNUKCSCWUSHU-WDNDVIMCSA-N -1 0 319.401 3.551 20 0 DHADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC(C)(C)C1 ZINC000833588937 605606116 /nfs/dbraw/zinc/60/61/16/605606116.db2.gz IAAFSCOZRZHYMH-OCCSQVGLSA-N -1 0 318.417 3.855 20 0 DHADRM Cc1cc(C(=O)N[C@H](C)Cc2cccs2)ccc1NC(=O)[O-] ZINC000829941733 605610374 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Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)ccc1NC(=O)[O-] ZINC000829930167 605693298 /nfs/dbraw/zinc/69/32/98/605693298.db2.gz JTKNLGKSECWJTF-CQSZACIVSA-N -1 0 314.341 3.655 20 0 DHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(C3SCCS3)c2)C1 ZINC000834102666 605695349 /nfs/dbraw/zinc/69/53/49/605695349.db2.gz DGOZGJDEZSKQDI-CYBMUJFWSA-N -1 0 324.471 3.720 20 0 DHADRM Cc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1NC(=O)[O-] ZINC000829923847 605701707 /nfs/dbraw/zinc/70/17/07/605701707.db2.gz BOCUOQXXVZDWJY-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM CCc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000833679365 605703919 /nfs/dbraw/zinc/70/39/19/605703919.db2.gz YFOVUVRAUJAEBH-MWLCHTKSSA-N -1 0 319.323 3.703 20 0 DHADRM CC1CC(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833588377 605713574 /nfs/dbraw/zinc/71/35/74/605713574.db2.gz HKCVEDWNKCLKRD-WZQIAMPNSA-N -1 0 317.168 3.708 20 0 DHADRM C[C@@H](Oc1ccc(CN2CC3(CC3)c3ccccc32)cc1)C(=O)[O-] ZINC000833537374 605728447 /nfs/dbraw/zinc/72/84/47/605728447.db2.gz JIRLQLQYQBSWDZ-CQSZACIVSA-N -1 0 323.392 3.590 20 0 DHADRM O=C([O-])Nc1cccc(OC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000834268319 605755931 /nfs/dbraw/zinc/75/59/31/605755931.db2.gz JEKZUUUQHUHLJU-AWEZNQCLSA-N -1 0 307.733 3.542 20 0 DHADRM O=C([O-])Nc1cccc(CC(=O)N(C2CC2)C2CCCCC2)c1 ZINC000834264706 605767657 /nfs/dbraw/zinc/76/76/57/605767657.db2.gz MIBJGCUPMNVZQG-UHFFFAOYSA-N -1 0 316.401 3.643 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000833514845 605794567 /nfs/dbraw/zinc/79/45/67/605794567.db2.gz CKKPYDOHOBXDDN-DOTOQJQBSA-N -1 0 317.429 3.501 20 0 DHADRM Cc1ccccc1CN(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830573716 605807031 /nfs/dbraw/zinc/80/70/31/605807031.db2.gz SVQSVDWNUSYBEC-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM Cc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])ccc2F)s1 ZINC000833754777 605836691 /nfs/dbraw/zinc/83/66/91/605836691.db2.gz IASGWGIZNYUVJL-JTQLQIEISA-N -1 0 322.405 3.790 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000826580198 605836973 /nfs/dbraw/zinc/83/69/73/605836973.db2.gz FBYWTOQNKLVPNM-BMFZPTHFSA-N -1 0 324.465 3.630 20 0 DHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000833604356 605847910 /nfs/dbraw/zinc/84/79/10/605847910.db2.gz DWHRDKVNPDDZOH-CABZTGNLSA-N -1 0 319.298 3.687 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NCCCCC(F)(F)F ZINC000834118671 605849699 /nfs/dbraw/zinc/84/96/99/605849699.db2.gz LYAHKPAMDADTCE-UHFFFAOYSA-N -1 0 302.296 3.872 20 0 DHADRM O=C([O-])Nc1cc(C(=O)OCCCCC(F)(F)F)ccc1F ZINC000834255917 605853941 /nfs/dbraw/zinc/85/39/41/605853941.db2.gz JCKNFSFCBDCZFD-UHFFFAOYSA-N -1 0 323.242 3.805 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)c1nc(C2CC2)cs1 ZINC000833530131 605912074 /nfs/dbraw/zinc/91/20/74/605912074.db2.gz ANLNRMYGWVFGJB-SSDOTTSWSA-N -1 0 323.395 3.698 20 0 DHADRM O=C([O-])NCCCCC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000834235371 605919285 /nfs/dbraw/zinc/91/92/85/605919285.db2.gz BXKJKKRPOUAPGM-UHFFFAOYSA-N -1 0 324.380 3.638 20 0 DHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc2ccsc2[nH]1 ZINC000833906728 606005810 /nfs/dbraw/zinc/00/58/10/606005810.db2.gz YXQVAEGMLOZMSU-UHFFFAOYSA-N -1 0 315.354 3.880 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2C)C1 ZINC000833846439 606008888 /nfs/dbraw/zinc/00/88/88/606008888.db2.gz SDYWKWUPUQNFMV-LBPRGKRZSA-N -1 0 305.378 3.739 20 0 DHADRM Cn1c(Cl)cnc1CSCc1cccc(NC(=O)[O-])c1 ZINC000833942581 606009940 /nfs/dbraw/zinc/00/99/40/606009940.db2.gz YDEDNBBAQIIKKP-UHFFFAOYSA-N -1 0 311.794 3.597 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(NC(=O)[O-])ccc2C)C1 ZINC000833843440 606010299 /nfs/dbraw/zinc/01/02/99/606010299.db2.gz ACCAQQSUJFQSIG-INIZCTEOSA-N -1 0 305.378 3.739 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCCc2ccsc2)c1 ZINC000834261135 606018095 /nfs/dbraw/zinc/01/80/95/606018095.db2.gz ILIIVRARDCIDOI-UHFFFAOYSA-N -1 0 322.361 3.939 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1 ZINC000834263775 606039371 /nfs/dbraw/zinc/03/93/71/606039371.db2.gz XPSPSYWJJOJWKE-UHFFFAOYSA-N -1 0 324.258 3.646 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)Oc1ccc(Cl)cc1 ZINC000834275991 606043235 /nfs/dbraw/zinc/04/32/35/606043235.db2.gz UCPIHUIDKJJOIG-UHFFFAOYSA-N -1 0 305.717 3.578 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCCc2ccccc21 ZINC000834272135 606060153 /nfs/dbraw/zinc/06/01/53/606060153.db2.gz YHYIUUCBSSCHDD-UHFFFAOYSA-N -1 0 324.380 3.689 20 0 DHADRM COc1cccc2c1CC[C@@H]2Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000833891980 606102954 /nfs/dbraw/zinc/10/29/54/606102954.db2.gz XJKJALOYBGGLLC-INIZCTEOSA-N -1 0 324.380 3.835 20 0 DHADRM Cc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191477911 939037285 /nfs/dbraw/zinc/03/72/85/939037285.db2.gz LYCXSYNVIMOPGC-SFHVURJKSA-N -1 0 319.360 3.704 20 0 DHADRM O=C([O-])[C@@H](NC(=O)CC1CCCC1)c1ccc2ccccc2c1 ZINC000191484737 939037931 /nfs/dbraw/zinc/03/79/31/939037931.db2.gz ZJAXZPQJEQFFMR-SFHVURJKSA-N -1 0 311.381 3.662 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)o1 ZINC000191490410 939038509 /nfs/dbraw/zinc/03/85/09/939038509.db2.gz IROANULUAHYBDT-QGZVFWFLSA-N -1 0 323.348 3.605 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000320142721 939123654 /nfs/dbraw/zinc/12/36/54/939123654.db2.gz BQLMMAAYEAOPKQ-LJQANCHMSA-N -1 0 311.381 3.540 20 0 DHADRM O=C([O-])[C@@H](NC(=O)NCC1CCCCCCC1)c1cccs1 ZINC000797710999 939169588 /nfs/dbraw/zinc/16/95/88/939169588.db2.gz OIBBTOUZLWIBGG-AWEZNQCLSA-N -1 0 324.446 3.534 20 0 DHADRM CC(C)[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449003095 939207371 /nfs/dbraw/zinc/20/73/71/939207371.db2.gz OCRWTRVKQCJYFW-PRHODGIISA-N -1 0 318.200 3.527 20 0 DHADRM O=C([O-])[C@H](NC(=O)C1CC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000572163250 939397320 /nfs/dbraw/zinc/39/73/20/939397320.db2.gz ZQCUDIMHZDCFEH-QGZVFWFLSA-N -1 0 323.392 3.662 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000576297364 939738109 /nfs/dbraw/zinc/73/81/09/939738109.db2.gz OEGGFSCFABMCNA-MRXNPFEDSA-N -1 0 312.369 3.559 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000648334400 939831981 /nfs/dbraw/zinc/83/19/81/939831981.db2.gz QKPHSVYTJPHNGI-OAHLLOKOSA-N -1 0 317.410 3.502 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(=O)[O-])c1C ZINC000659156315 939848011 /nfs/dbraw/zinc/84/80/11/939848011.db2.gz JRHVEMVRCCHTCP-ZBFHGGJFSA-N -1 0 315.413 3.516 20 0 DHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)C1CCCCC1 ZINC000678986173 939869012 /nfs/dbraw/zinc/86/90/12/939869012.db2.gz NVLNARQILQOMQP-SJKOYZFVSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1cc(NC(=O)C[C@]2(C)CC2(Cl)Cl)ccc1C(=O)[O-] ZINC001600255044 970783397 /nfs/dbraw/zinc/78/33/97/970783397.db2.gz LIWCPDYMLSIJGF-CYBMUJFWSA-N -1 0 316.184 3.606 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000322256654 970863817 /nfs/dbraw/zinc/86/38/17/970863817.db2.gz OJYSZMTYHOCMMY-IXDOHACOSA-N -1 0 321.461 3.696 20 0 DHADRM Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001600835163 970870951 /nfs/dbraw/zinc/87/09/51/970870951.db2.gz QTZJFRXPTKTPKJ-UHFFFAOYSA-N -1 0 315.369 3.514 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccccc2C(F)F)o1 ZINC001601239247 970964802 /nfs/dbraw/zinc/96/48/02/970964802.db2.gz ZPMMVVIQHDNZIM-VURMDHGXSA-N -1 0 307.252 3.567 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(CC(=O)[O-])cc3)CCC2)c1 ZINC000323889693 971052317 /nfs/dbraw/zinc/05/23/17/971052317.db2.gz MZAFECBCUXFRMT-UHFFFAOYSA-N -1 0 323.392 3.683 20 0 DHADRM O=C([O-])CCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC001601969919 971094426 /nfs/dbraw/zinc/09/44/26/971094426.db2.gz WDVXNZNPOPCNAL-UHFFFAOYSA-N -1 0 317.772 3.738 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001602736040 971420032 /nfs/dbraw/zinc/42/00/32/971420032.db2.gz BORNGOFOCGLOGI-GCZGRYASSA-N -1 0 301.386 3.584 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001602736139 971421213 /nfs/dbraw/zinc/42/12/13/971421213.db2.gz GDOFQXBJQKHEHA-UAJRFJEFSA-N -1 0 321.804 3.598 20 0 DHADRM O=C([O-])c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000005769455 948769855 /nfs/dbraw/zinc/76/98/55/948769855.db2.gz CVYWFOVVVGNAPJ-UHFFFAOYSA-N -1 0 318.197 3.659 20 0 DHADRM CC(C)c1cccc(Oc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001574420251 948798139 /nfs/dbraw/zinc/79/81/39/948798139.db2.gz SAZYYOZRTHSRGG-UHFFFAOYSA-N -1 0 321.793 3.892 20 0 DHADRM CCCC[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000347266377 971522971 /nfs/dbraw/zinc/52/29/71/971522971.db2.gz VQGHFOUHOOGYSX-MRXNPFEDSA-N -1 0 319.445 3.795 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C(C)=C/c2ccc(C)cc2)C1 ZINC001589583959 949023327 /nfs/dbraw/zinc/02/33/27/949023327.db2.gz IWFUQWNEIUFVJI-QZEGLACASA-N -1 0 315.413 3.502 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1 ZINC000347732245 971526021 /nfs/dbraw/zinc/52/60/21/971526021.db2.gz JNHRDABUAMVQCL-UHFFFAOYSA-N -1 0 320.348 3.561 20 0 DHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H](C)C(=O)[O-])C1CC1 ZINC001602795484 971556211 /nfs/dbraw/zinc/55/62/11/971556211.db2.gz FQKHSICPQQSMHV-QWHCGFSZSA-N -1 0 311.381 3.613 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001589603175 949204933 /nfs/dbraw/zinc/20/49/33/949204933.db2.gz HZZSCCCTHYSVKL-IBGZPJMESA-N -1 0 315.413 3.671 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N(CCC2CC2)CC2CC2)c(F)c1 ZINC001595235702 949394780 /nfs/dbraw/zinc/39/47/80/949394780.db2.gz YIRYQXTURUAMML-UHFFFAOYSA-N -1 0 320.364 3.568 20 0 DHADRM CC[C@@H]1CCCc2sc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc21 ZINC001589622455 949434504 /nfs/dbraw/zinc/43/45/04/949434504.db2.gz GUXABCOJUNJLSE-KOLCDFICSA-N -1 0 324.446 3.658 20 0 DHADRM CCCC(=CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)CCC ZINC001589628069 949518806 /nfs/dbraw/zinc/51/88/06/949518806.db2.gz HBSWGQGQJMKLPE-LJQANCHMSA-N -1 0 317.429 3.672 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC001589630180 949525623 /nfs/dbraw/zinc/52/56/23/949525623.db2.gz BEYBRKWIMYUUTC-CQSZACIVSA-N -1 0 313.353 3.613 20 0 DHADRM O=C([O-])c1cccc(N[C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC001595249333 949538535 /nfs/dbraw/zinc/53/85/35/949538535.db2.gz ZXAOSZIHNSBNMM-AWEZNQCLSA-N -1 0 310.353 3.638 20 0 DHADRM CCC[C@H](C)c1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n[nH]1 ZINC001589631239 949543020 /nfs/dbraw/zinc/54/30/20/949543020.db2.gz BYBSDNGYLHJDEG-NSHDSACASA-N -1 0 315.373 3.572 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589637256 949624031 /nfs/dbraw/zinc/62/40/31/949624031.db2.gz ASVCKPWBMDBTOK-GDBMZVCRSA-N -1 0 318.417 3.543 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589638056 949639181 /nfs/dbraw/zinc/63/91/81/949639181.db2.gz WTRWGHQSXRBJBV-HOCLYGCPSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589638055 949639360 /nfs/dbraw/zinc/63/93/60/949639360.db2.gz WTRWGHQSXRBJBV-GOEBONIOSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589638057 949639499 /nfs/dbraw/zinc/63/94/99/949639499.db2.gz WTRWGHQSXRBJBV-ZBFHGGJFSA-N -1 0 317.429 3.650 20 0 DHADRM CCCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)C(C)C ZINC001589638843 949646312 /nfs/dbraw/zinc/64/63/12/949646312.db2.gz FTXRENMBESGECG-JKSUJKDBSA-N -1 0 305.418 3.699 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589642398 949706863 /nfs/dbraw/zinc/70/68/63/949706863.db2.gz SDTAEYWZLIJEBF-RDTXWAMCSA-N -1 0 305.418 3.709 20 0 DHADRM CCCCN(C(=O)NC[C@H](CC)C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001589648081 949758365 /nfs/dbraw/zinc/75/83/65/949758365.db2.gz MNGUTFVKJZOPOR-GJZGRUSLSA-N -1 0 320.433 3.670 20 0 DHADRM CCCCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(C)c1 ZINC001589654229 949802116 /nfs/dbraw/zinc/80/21/16/949802116.db2.gz MQHAATAUZLYCDK-GOSISDBHSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1cc(C)c2c(c1)N(C(=O)Cc1ccccc1C(=O)[O-])CCC2 ZINC000262268044 950100741 /nfs/dbraw/zinc/10/07/41/950100741.db2.gz XOVTVFNOAWRJTK-UHFFFAOYSA-N -1 0 323.392 3.524 20 0 DHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263125830 950280045 /nfs/dbraw/zinc/28/00/45/950280045.db2.gz CPCKHMWNRQOEGR-AAEUAGOBSA-N -1 0 323.820 3.646 20 0 DHADRM CCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1O)[C@H](C)C(=O)[O-] ZINC001589706067 950287423 /nfs/dbraw/zinc/28/74/23/950287423.db2.gz PFJVSBFFRNSVIN-GFCCVEGCSA-N -1 0 321.417 3.574 20 0 DHADRM CCN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@@H](C)C(=O)[O-] ZINC001589711133 950328510 /nfs/dbraw/zinc/32/85/10/950328510.db2.gz NIHSHXDQBVHSCU-NSHDSACASA-N -1 0 311.337 3.521 20 0 DHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCCCC(=O)[O-] ZINC000263568466 950512661 /nfs/dbraw/zinc/51/26/61/950512661.db2.gz HAIAQQSVLYRSEM-OAHLLOKOSA-N -1 0 321.417 3.544 20 0 DHADRM CCN(CCOc1ccccc1C(=O)[O-])c1ccc(F)c(C)c1 ZINC001589734868 950526209 /nfs/dbraw/zinc/52/62/09/950526209.db2.gz PNLNJFUDWHUEAQ-UHFFFAOYSA-N -1 0 317.360 3.738 20 0 DHADRM O=C([O-])[C@H]1CCN(Cc2sccc2Cl)c2ccccc21 ZINC000380186249 971683132 /nfs/dbraw/zinc/68/31/32/971683132.db2.gz BUCKYRJIWHABGI-NSHDSACASA-N -1 0 307.802 3.980 20 0 DHADRM Cc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC000315606389 950848950 /nfs/dbraw/zinc/84/89/50/950848950.db2.gz BRRVWPGVOIGPKW-AWEZNQCLSA-N -1 0 306.406 3.562 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000315726505 950855409 /nfs/dbraw/zinc/85/54/09/950855409.db2.gz FIYVDRCWDCTGMY-ZDUSSCGKSA-N -1 0 322.430 3.660 20 0 DHADRM O=C([O-])/C=C/c1cc(C(=O)O[C@H](c2ccccc2)C(F)F)co1 ZINC001594972469 950871434 /nfs/dbraw/zinc/87/14/34/950871434.db2.gz VYFOZFHTBITURY-PSKZRQQASA-N -1 0 322.263 3.541 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001602854378 971703060 /nfs/dbraw/zinc/70/30/60/971703060.db2.gz GQFMXRVXDAXCTA-KGLIPLIRSA-N -1 0 324.465 3.536 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000318126461 950921869 /nfs/dbraw/zinc/92/18/69/950921869.db2.gz WPBIDKMIZLZJQW-NXEZZACHSA-N -1 0 315.291 3.692 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC001595016242 951287402 /nfs/dbraw/zinc/28/74/02/951287402.db2.gz 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953541389 /nfs/dbraw/zinc/54/13/89/953541389.db2.gz CXUXDVSCJCHXLX-ILXRZTDVSA-N -1 0 324.465 3.630 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000517145738 953544617 /nfs/dbraw/zinc/54/46/17/953544617.db2.gz QLPWSTVRBHPXIK-SWLSCSKDSA-N -1 0 318.417 3.559 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)NCC2CCCCCCC2)c1 ZINC001594771543 953561549 /nfs/dbraw/zinc/56/15/49/953561549.db2.gz AGNXKCOOMDXOHM-UHFFFAOYSA-N -1 0 318.417 3.545 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1CC ZINC001593635579 953608820 /nfs/dbraw/zinc/60/88/20/953608820.db2.gz WRYDNAIVWVKABK-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000567859511 953636701 /nfs/dbraw/zinc/63/67/01/953636701.db2.gz FVPZNFZKIJYTTC-PELKAZGASA-N -1 0 318.200 3.672 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000578970144 953704729 /nfs/dbraw/zinc/70/47/29/953704729.db2.gz BVQPIPCIYFYFGH-UHFFFAOYSA-N -1 0 322.405 3.547 20 0 DHADRM CCc1sc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001593657549 953760368 /nfs/dbraw/zinc/76/03/68/953760368.db2.gz HGAUNKNYHZLRCJ-NSHDSACASA-N -1 0 311.447 3.628 20 0 DHADRM CC[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000630158793 953842942 /nfs/dbraw/zinc/84/29/42/953842942.db2.gz VBBDAPOGCZSSAU-GOEBONIOSA-N -1 0 317.429 3.659 20 0 DHADRM CCC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000630171260 953844252 /nfs/dbraw/zinc/84/42/52/953844252.db2.gz UBFITRMCMWGTHF-VHDGCEQUSA-N -1 0 323.820 3.593 20 0 DHADRM O=C([O-])CCC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000630264471 953849396 /nfs/dbraw/zinc/84/93/96/953849396.db2.gz YJUYLEFAONETSU-CQSZACIVSA-N -1 0 323.820 3.519 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589319931 953850272 /nfs/dbraw/zinc/85/02/72/953850272.db2.gz RYYASRDFMJIJGQ-CHWSQXEVSA-N -1 0 304.390 3.723 20 0 DHADRM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000635018631 953871652 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CC[C@H](CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589514019 955055412 /nfs/dbraw/zinc/05/54/12/955055412.db2.gz ACHSDQJKVXBVAO-CYBMUJFWSA-N -1 0 304.390 3.715 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589514598 955059480 /nfs/dbraw/zinc/05/94/80/955059480.db2.gz KYMZDCKLXUAQDB-BBRMVZONSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@@H](CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001589518782 955082484 /nfs/dbraw/zinc/08/24/84/955082484.db2.gz UOVNXRXEKQEGLO-XQXASTNHSA-N -1 0 321.461 3.600 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc3ccsc32)C1 ZINC000386672406 972072841 /nfs/dbraw/zinc/07/28/41/972072841.db2.gz VOCNWFJURQVKIU-NWDGAFQWSA-N -1 0 303.383 3.731 20 0 DHADRM CC(C)CC[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603021585 972081343 /nfs/dbraw/zinc/08/13/43/972081343.db2.gz PYLKZQRFEKKTKG-CQSZACIVSA-N -1 0 319.405 3.602 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000767066183 955317214 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319.360 3.744 20 0 DHADRM CN(C(=O)c1ccc2c(c1)CCCC2)c1ccccc1C(=O)[O-] ZINC000013441503 957081246 /nfs/dbraw/zinc/08/12/46/957081246.db2.gz PAKXOFFAGREAGH-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CN(C(=O)c1cc2ccccc2s1)c1ccccc1C(=O)[O-] ZINC000013441688 957081371 /nfs/dbraw/zinc/08/13/71/957081371.db2.gz QKWKQMSKPMEBOY-UHFFFAOYSA-N -1 0 311.362 3.876 20 0 DHADRM CC(C)c1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000020229437 957131459 /nfs/dbraw/zinc/13/14/59/957131459.db2.gz FEPZULAJEFEFEM-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM Cc1ccc(NC(=O)Cc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000021788128 957150721 /nfs/dbraw/zinc/15/07/21/957150721.db2.gz FRRVIMLYOZDTMN-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1cc(NC(=O)CSc2ccccc2C)sc1C(=O)[O-] ZINC000037404734 957277257 /nfs/dbraw/zinc/27/72/57/957277257.db2.gz WORYHDVKCXCSJV-UHFFFAOYSA-N -1 0 321.423 3.794 20 0 DHADRM CCCC[C@H](C)N(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001263073091 957296762 /nfs/dbraw/zinc/29/67/62/957296762.db2.gz 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C[C@@H](Cc1cccs1)N(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603207360 972315943 /nfs/dbraw/zinc/31/59/43/972315943.db2.gz OQFJYNUSBLNRSB-ZDUSSCGKSA-N -1 0 323.458 3.563 20 0 DHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2cccnc2c1C ZINC001594314799 958059691 /nfs/dbraw/zinc/05/96/91/958059691.db2.gz OXBSPNJWZISMPG-CQSZACIVSA-N -1 0 314.385 3.537 20 0 DHADRM C[C@H](Oc1cccc([S-])c1)c1cc(Br)no1 ZINC001226013167 1013165667 /nfs/dbraw/zinc/16/56/67/1013165667.db2.gz DEHXSPBVVGSPFM-ZETCQYMHSA-N -1 0 300.177 3.866 20 0 DHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(C)c1Cl ZINC001594317741 958088561 /nfs/dbraw/zinc/08/85/61/958088561.db2.gz ASYSJMGFGYRQRX-VXGBXAGGSA-N -1 0 324.808 3.674 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000097052613 958342417 /nfs/dbraw/zinc/34/24/17/958342417.db2.gz OABVREBAXDABPG-BDAKNGLRSA-N -1 0 323.801 3.538 20 0 DHADRM Cc1ccc(/C=C/CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001594353935 958392915 /nfs/dbraw/zinc/39/29/15/958392915.db2.gz 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Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001594404754 958893517 /nfs/dbraw/zinc/89/35/17/958893517.db2.gz FOJKITNTEYZYRW-ZWKOTPCHSA-N -1 0 323.392 3.639 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)ccc1Cl ZINC000136708201 958905916 /nfs/dbraw/zinc/90/59/16/958905916.db2.gz SKMNXAXXGYAAAV-NSHDSACASA-N -1 0 318.200 3.613 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001573470065 958946162 /nfs/dbraw/zinc/94/61/62/958946162.db2.gz NJMPLXNMAZZASU-UHFFFAOYSA-N -1 0 301.386 3.627 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001573485206 958992894 /nfs/dbraw/zinc/99/28/94/958992894.db2.gz XUVKLQLOWCOPSW-HOCLYGCPSA-N -1 0 317.429 3.595 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001573489487 959000503 /nfs/dbraw/zinc/00/05/03/959000503.db2.gz FSBKWPJHUCELMV-SKDRFNHKSA-N -1 0 318.291 3.666 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C1CCC(C)CC1 ZINC001594415920 959002322 /nfs/dbraw/zinc/00/23/22/959002322.db2.gz UFCLHZHOKWPGIN-MAIKSMBNSA-N -1 0 317.429 3.699 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001573501657 959067173 /nfs/dbraw/zinc/06/71/73/959067173.db2.gz JFHAQOJKRTXBJT-HOCLYGCPSA-N -1 0 317.429 3.648 20 0 DHADRM CSCc1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594188306 959142182 /nfs/dbraw/zinc/14/21/82/959142182.db2.gz YOISVYLUNRQNLG-CQSZACIVSA-N -1 0 323.458 3.559 20 0 DHADRM CSc1cc(NC(=O)CCCCC(=O)[O-])ccc1Cl ZINC001594190224 959167384 /nfs/dbraw/zinc/16/73/84/959167384.db2.gz RZTWJQORHSRELZ-UHFFFAOYSA-N -1 0 301.795 3.645 20 0 DHADRM CSc1cccc(F)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594196569 959197568 /nfs/dbraw/zinc/19/75/68/959197568.db2.gz PXRMBVQZRXJSQJ-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CC(C)N(C(=O)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573544270 959201613 /nfs/dbraw/zinc/20/16/13/959201613.db2.gz XOOUVCANXIQXMP-UHFFFAOYSA-N -1 0 304.173 3.600 20 0 DHADRM CC(C)N(CC(=O)[O-])C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001573546362 959208906 /nfs/dbraw/zinc/20/89/06/959208906.db2.gz WPSJCUALMXQJCX-UHFFFAOYSA-N -1 0 321.461 3.695 20 0 DHADRM Cc1csc(-c2cccc(OC(=O)CCCCC(=O)[O-])c2)n1 ZINC001594436236 959239269 /nfs/dbraw/zinc/23/92/69/959239269.db2.gz YUQIWADRUVVPDF-UHFFFAOYSA-N -1 0 319.382 3.669 20 0 DHADRM CC(C)Oc1cccc([C@H](C)OC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC001573553934 959244115 /nfs/dbraw/zinc/24/41/15/959244115.db2.gz TXOWNTILMUMQAA-KPZWWZAWSA-N -1 0 320.385 3.579 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1F ZINC001594205185 959266282 /nfs/dbraw/zinc/26/62/82/959266282.db2.gz UZZVLYLNYBNPEU-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594210546 959285933 /nfs/dbraw/zinc/28/59/33/959285933.db2.gz XLVSPAVTKHQRMT-SJCJKPOMSA-N -1 0 321.804 3.671 20 0 DHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001594210557 959287888 /nfs/dbraw/zinc/28/78/88/959287888.db2.gz YLVSHFPBLYCGGD-JLZZUVOBSA-N -1 0 316.397 3.671 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC001573566264 959289276 /nfs/dbraw/zinc/28/92/76/959289276.db2.gz HNUGMONXVZDAOM-AWEZNQCLSA-N -1 0 321.417 3.525 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C(=O)[O-])CCC1)CCC2 ZINC001573566653 959291816 /nfs/dbraw/zinc/29/18/16/959291816.db2.gz LRESQFAVNUWNQN-INIZCTEOSA-N -1 0 315.413 3.559 20 0 DHADRM C[C@H](C(=O)[O-])c1noc(-c2ccc(C(F)(F)F)cc2Cl)n1 ZINC001588600245 959417868 /nfs/dbraw/zinc/41/78/68/959417868.db2.gz UEKIPILOYOGZOU-YFKPBYRVSA-N -1 0 320.654 3.597 20 0 DHADRM C[C@@H](C(=O)[O-])c1noc(-c2ccc(C(F)(F)F)cc2Cl)n1 ZINC001588600244 959418096 /nfs/dbraw/zinc/41/80/96/959418096.db2.gz UEKIPILOYOGZOU-RXMQYKEDSA-N -1 0 320.654 3.597 20 0 DHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000190652134 959517090 /nfs/dbraw/zinc/51/70/90/959517090.db2.gz KHLRVKQZFJXMGZ-CABCVRRESA-N -1 0 317.429 3.590 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CCc2cccs2)cc1)C(=O)[O-] ZINC000191441059 959568599 /nfs/dbraw/zinc/56/85/99/959568599.db2.gz CNJSGRUBIQUZFH-GFCCVEGCSA-N -1 0 317.410 3.583 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000191446357 959569734 /nfs/dbraw/zinc/56/97/34/959569734.db2.gz FTNHFFVPTJMXEJ-CYBMUJFWSA-N -1 0 323.392 3.691 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192967788 959600627 /nfs/dbraw/zinc/60/06/27/959600627.db2.gz NWSPRPPOCJAHCU-SWLSCSKDSA-N -1 0 321.392 3.626 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC001588641130 959696287 /nfs/dbraw/zinc/69/62/87/959696287.db2.gz XBVBMYCZQDAOCV-JTQLQIEISA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC001573667878 959712383 /nfs/dbraw/zinc/71/23/83/959712383.db2.gz ZAGQPRRIGFCOGS-LSDHHAIUSA-N -1 0 317.429 3.662 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)/C=C\CCc1ccccc1)C(=O)[O-] ZINC001588645976 959736905 /nfs/dbraw/zinc/73/69/05/959736905.db2.gz TYMJRRKRMUKVRM-LJEUOOAZSA-N -1 0 317.429 3.571 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594267768 959754302 /nfs/dbraw/zinc/75/43/02/959754302.db2.gz HJYQDMISZSELNH-QGZVFWFLSA-N -1 0 309.365 3.711 20 0 DHADRM C[C@@H]1[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001573691555 959784111 /nfs/dbraw/zinc/78/41/11/959784111.db2.gz VQJOTRHECFERDR-BKTGTZMESA-N -1 0 323.392 3.692 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000220347679 959801364 /nfs/dbraw/zinc/80/13/64/959801364.db2.gz PRESDIOXRPUDKI-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM CSc1cc(C)ccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574257833 960550590 /nfs/dbraw/zinc/55/05/90/960550590.db2.gz XHHYJXMUHYUWNA-CQSZACIVSA-N -1 0 307.415 3.546 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001574265766 960579248 /nfs/dbraw/zinc/57/92/48/960579248.db2.gz CGOUEEGTYKHZSW-NSHICSFLSA-N -1 0 319.401 3.712 20 0 DHADRM CC[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573776315 960685380 /nfs/dbraw/zinc/68/53/80/960685380.db2.gz MFBUOBLPEDRTRE-SCLBCKFNSA-N -1 0 305.418 3.565 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000236670600 960729937 /nfs/dbraw/zinc/72/99/37/960729937.db2.gz IFOFOPOXQHAYRF-KHPPLWFESA-N -1 0 313.328 3.874 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(OCC(C)C)cc1 ZINC001573784879 960732462 /nfs/dbraw/zinc/73/24/62/960732462.db2.gz LRWHNFKBISPSID-UHFFFAOYSA-N -1 0 308.374 3.518 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)C(=O)[O-] ZINC000236824587 960764769 /nfs/dbraw/zinc/76/47/69/960764769.db2.gz FEGKEHVDMACMQC-XJKSGUPXSA-N -1 0 323.408 3.544 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236862295 960780568 /nfs/dbraw/zinc/78/05/68/960780568.db2.gz QGCXVUZDYMHEAK-LLVKDONJSA-N -1 0 322.792 3.680 20 0 DHADRM CC[C@@H](CC(=O)N[C@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000236931613 960801510 /nfs/dbraw/zinc/80/15/10/960801510.db2.gz IEISDQJSCIKDHL-KBXCAEBGSA-N -1 0 305.418 3.638 20 0 DHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000236929392 960801986 /nfs/dbraw/zinc/80/19/86/960801986.db2.gz REMXEXZPSRMEGV-UHFFFAOYSA-N -1 0 323.801 3.762 20 0 DHADRM CCC[C@@](C)(NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000236984879 960823600 /nfs/dbraw/zinc/82/36/00/960823600.db2.gz OQDDEULIOXNEPF-GOSISDBHSA-N -1 0 317.385 3.731 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000237027871 960842185 /nfs/dbraw/zinc/84/21/85/960842185.db2.gz DGXLAUYTOPDVHS-WMLDXEAASA-N -1 0 305.418 3.578 20 0 DHADRM CC[C@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001573804281 960843038 /nfs/dbraw/zinc/84/30/38/960843038.db2.gz OXGGGBOLQFGMGW-CQSZACIVSA-N -1 0 311.381 3.617 20 0 DHADRM Cc1cc(C)nc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001574326228 960854505 /nfs/dbraw/zinc/85/45/05/960854505.db2.gz LFSPVSVGOYVEFH-MRXNPFEDSA-N -1 0 324.424 3.742 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C23CCC(CC2)CC3)cc1 ZINC001263630353 960879776 /nfs/dbraw/zinc/87/97/76/960879776.db2.gz JSFUZUYNRCLVEM-UHFFFAOYSA-N -1 0 315.413 3.958 20 0 DHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)CCCC(=O)[O-] ZINC001574332670 960895232 /nfs/dbraw/zinc/89/52/32/960895232.db2.gz DGVMNWIVMKJOHE-UHFFFAOYSA-N -1 0 318.417 3.569 20 0 DHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(Cl)cc1F ZINC001574333868 960902195 /nfs/dbraw/zinc/90/21/95/960902195.db2.gz RBRYWCFMBTUTNZ-HNNXBMFYSA-N -1 0 311.740 3.537 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001319406233 960944306 /nfs/dbraw/zinc/94/43/06/960944306.db2.gz CJNMSGAFVVVBMS-XOVFHRFOSA-N -1 0 323.392 3.731 20 0 DHADRM Cc1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000237569224 960963322 /nfs/dbraw/zinc/96/33/22/960963322.db2.gz JMISUVFSQUKVAB-LBPRGKRZSA-N -1 0 315.344 3.965 20 0 DHADRM Cc1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001574351258 960989099 /nfs/dbraw/zinc/98/90/99/960989099.db2.gz JFMIOXMNQZBHAA-CYBMUJFWSA-N -1 0 311.809 3.658 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001321024762 960995435 /nfs/dbraw/zinc/99/54/35/960995435.db2.gz OFKDONYDMXGQFK-HOCLYGCPSA-N -1 0 305.418 3.843 20 0 DHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001322666208 961012771 /nfs/dbraw/zinc/01/27/71/961012771.db2.gz PQTDOFWQDTXIOC-CQSZACIVSA-N -1 0 317.410 3.565 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)CC(C)C)cc1 ZINC001324012251 961023313 /nfs/dbraw/zinc/02/33/13/961023313.db2.gz UHWQKEOACQRGER-ZBFHGGJFSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)CC(C)C)cc1 ZINC001324012235 961023570 /nfs/dbraw/zinc/02/35/70/961023570.db2.gz UHWQKEOACQRGER-GDBMZVCRSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237798265 961026512 /nfs/dbraw/zinc/02/65/12/961026512.db2.gz NJAQNPGGAQFTKW-WDEREUQCSA-N -1 0 319.357 3.636 20 0 DHADRM CCC[C@@H](C(=O)N(CC)[C@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573832509 961040241 /nfs/dbraw/zinc/04/02/41/961040241.db2.gz WATXRWBSIXFBLJ-BXUZGUMPSA-N -1 0 311.809 3.545 20 0 DHADRM Cc1ccc(Cl)c(OC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001574368187 961053277 /nfs/dbraw/zinc/05/32/77/961053277.db2.gz VAGYJDUFDJVSBZ-HWKANZROSA-N -1 0 306.701 3.558 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)o1 ZINC000237980295 961064196 /nfs/dbraw/zinc/06/41/96/961064196.db2.gz BESBVQYMVPEENL-LBPRGKRZSA-N -1 0 319.744 3.609 20 0 DHADRM Cc1ccc(OCc2cccc(C(=O)[O-])c2)c2c1[C@H](C)CC2=O ZINC001326311232 961080549 /nfs/dbraw/zinc/08/05/49/961080549.db2.gz RRFARFWPPFTZIU-GFCCVEGCSA-N -1 0 310.349 3.962 20 0 DHADRM Cc1ccc(N(Cc2ccccc2)C(=O)CCCC(=O)[O-])cc1 ZINC001326389799 961087985 /nfs/dbraw/zinc/08/79/85/961087985.db2.gz DABZTEAGLXDHOD-UHFFFAOYSA-N -1 0 311.381 3.783 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001588734383 961120749 /nfs/dbraw/zinc/12/07/49/961120749.db2.gz MBHWRUXOFCSJGZ-ZDUSSCGKSA-N -1 0 307.390 3.549 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000238161196 961136421 /nfs/dbraw/zinc/13/64/21/961136421.db2.gz FRORZZHBWACMLP-UHFFFAOYSA-N -1 0 324.311 3.567 20 0 DHADRM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1C ZINC001327209076 961150261 /nfs/dbraw/zinc/15/02/61/961150261.db2.gz UNESHIXIVJIDRL-UHFFFAOYSA-N -1 0 318.398 3.620 20 0 DHADRM CC(C)(C)c1cccc(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001588741437 961171596 /nfs/dbraw/zinc/17/15/96/961171596.db2.gz DFABQJAEARPHNT-UHFFFAOYSA-N -1 0 311.381 3.612 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C2CC3(C2)CCCCC3)C(=O)[O-])c1 ZINC001574390544 961171995 /nfs/dbraw/zinc/17/19/95/961171995.db2.gz YDGGHJYXGWMWFK-MRXNPFEDSA-N -1 0 315.413 3.597 20 0 DHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001573872197 961215085 /nfs/dbraw/zinc/21/50/85/961215085.db2.gz RMWQZZVOEPLMIU-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001588770231 961260181 /nfs/dbraw/zinc/26/01/81/961260181.db2.gz DHIVUJCPSPCZAE-DHZHZOJOSA-N -1 0 317.429 3.614 20 0 DHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000300434174 1013241657 /nfs/dbraw/zinc/24/16/57/1013241657.db2.gz FMEATTPGVTZQNU-OUDXYJABSA-N -1 0 318.200 3.697 20 0 DHADRM Cc1coc2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc12 ZINC001574412817 961305255 /nfs/dbraw/zinc/30/52/55/961305255.db2.gz WAZSIVYFTXSKHG-INIZCTEOSA-N -1 0 324.336 3.689 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)s1 ZINC000683331946 1013249956 /nfs/dbraw/zinc/24/99/56/1013249956.db2.gz VXANCPZFUZMFRH-JTQLQIEISA-N -1 0 317.410 3.880 20 0 DHADRM COc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1F ZINC001331846238 961396250 /nfs/dbraw/zinc/39/62/50/961396250.db2.gz RIKZTTIDPDZOAW-LSDHHAIUSA-N -1 0 315.344 3.635 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000261929830 961399582 /nfs/dbraw/zinc/39/95/82/961399582.db2.gz SPLQKLOZDFVNEY-IIAWOOMASA-N -1 0 315.413 3.859 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1SC1CCCC1 ZINC000261964601 961403064 /nfs/dbraw/zinc/40/30/64/961403064.db2.gz AVHNZQGGEGYGGQ-QWHCGFSZSA-N -1 0 319.426 3.771 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C1(C)C ZINC001588797805 961407339 /nfs/dbraw/zinc/40/73/39/961407339.db2.gz VZCSZQGYQPCCNQ-MGPQQGTHSA-N -1 0 309.450 3.621 20 0 DHADRM Cc1cc(NC2CC(CC(=O)[O-])C2)ccc1OCC(F)(F)F ZINC001331943201 961422170 /nfs/dbraw/zinc/42/21/70/961422170.db2.gz JEUIQFCKCLIVTH-UHFFFAOYSA-N -1 0 317.307 3.601 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588803629 961453426 /nfs/dbraw/zinc/45/34/26/961453426.db2.gz HOEFKNUXIMNGPH-ULQDDVLXSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001588808176 961492756 /nfs/dbraw/zinc/49/27/56/961492756.db2.gz MFXYRUSVDQMWRF-SNVBAGLBSA-N -1 0 323.698 3.654 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001573930964 961574154 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3.585 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccccc1CCC(F)(F)F ZINC000263240507 962385532 /nfs/dbraw/zinc/38/55/32/962385532.db2.gz CDVSUJJQSNEDAK-UHFFFAOYSA-N -1 0 317.307 3.765 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000263248950 962392552 /nfs/dbraw/zinc/39/25/52/962392552.db2.gz DNHMLKPJKJUIGW-CQSZACIVSA-N -1 0 323.820 3.519 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C ZINC000263255966 962395944 /nfs/dbraw/zinc/39/59/44/962395944.db2.gz FOWXWPTXULEMEJ-KRWDZBQOSA-N -1 0 305.418 3.843 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263274951 962415634 /nfs/dbraw/zinc/41/56/34/962415634.db2.gz WMHKWDAQNQAUOE-NSHDSACASA-N -1 0 309.431 3.669 20 0 DHADRM CCC[C@@](C)(NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000263305243 962446705 /nfs/dbraw/zinc/44/67/05/962446705.db2.gz OGQAFMXZSCQQNJ-MRXNPFEDSA-N -1 0 323.389 3.722 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000263306632 962449056 /nfs/dbraw/zinc/44/90/56/962449056.db2.gz 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ZINC000579907423 1013511003 /nfs/dbraw/zinc/51/10/03/1013511003.db2.gz IYGGCELHWKTCBF-UHFFFAOYSA-N -1 0 312.207 3.559 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CC2CCCC2)cc1 ZINC000655597241 1013549233 /nfs/dbraw/zinc/54/92/33/1013549233.db2.gz SRZZQTPJXHOPIB-INIZCTEOSA-N -1 0 301.386 3.570 20 0 DHADRM O=C([O-])CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037835265 967514885 /nfs/dbraw/zinc/51/48/85/967514885.db2.gz ZYDZNKVRMWDIBZ-LBPRGKRZSA-N -1 0 316.184 3.522 20 0 DHADRM Cc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1OC(C)C ZINC000263017441 967838746 /nfs/dbraw/zinc/83/87/46/967838746.db2.gz IMJZCSPTBFDEFT-UHFFFAOYSA-N -1 0 322.405 3.547 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263113425 967848643 /nfs/dbraw/zinc/84/86/43/967848643.db2.gz LFQKLERIKMPPIV-GXTWGEPZSA-N -1 0 318.417 3.693 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCCC(C)(C)C(=O)[O-])c(C)c1 ZINC000424397325 968360679 /nfs/dbraw/zinc/36/06/79/968360679.db2.gz JPUVLTPDROMTKJ-CQSZACIVSA-N -1 0 320.433 3.507 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000630569545 968538855 /nfs/dbraw/zinc/53/88/55/968538855.db2.gz PGHLKYFDYFNIIQ-NEPJUHHUSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000647690322 968576266 /nfs/dbraw/zinc/57/62/66/968576266.db2.gz DCKQQESFXNODPQ-CMPLNLGQSA-N -1 0 324.808 3.531 20 0 DHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000188461401 1013809743 /nfs/dbraw/zinc/80/97/43/1013809743.db2.gz ZHPYMSVHEDUOAY-UHFFFAOYSA-N -1 0 311.403 3.657 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000653533810 968670677 /nfs/dbraw/zinc/67/06/77/968670677.db2.gz HEHQUBUNEIFCGA-VHDGCEQUSA-N -1 0 318.417 3.560 20 0 DHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000330678068 1013833063 /nfs/dbraw/zinc/83/30/63/1013833063.db2.gz LQYWHMKTBJEPJK-OTYXRUKQSA-N -1 0 315.772 3.719 20 0 DHADRM Cc1nc(CNC(=O)CCCC2CCCCC2)sc1C(=O)[O-] ZINC000316048158 1013846726 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/nfs/dbraw/zinc/50/93/41/979509341.db2.gz FXZVNKYJDXAWRZ-ZFWWWQNUSA-N -1 0 309.450 3.837 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001595125680 979509358 /nfs/dbraw/zinc/50/93/58/979509358.db2.gz FXZVNKYJDXAWRZ-UKRRQHHQSA-N -1 0 309.450 3.837 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595125756 979510311 /nfs/dbraw/zinc/51/03/11/979510311.db2.gz ICTPXYUKRUYFMN-ZDUSSCGKSA-N -1 0 319.401 3.938 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595126516 979518329 /nfs/dbraw/zinc/51/83/29/979518329.db2.gz WAGHTSKOYXWSGR-HHARLNAUSA-N -1 0 321.461 3.599 20 0 DHADRM CC(C)c1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000851600044 979518910 /nfs/dbraw/zinc/51/89/10/979518910.db2.gz FNOFKNOZGWYODN-UHFFFAOYSA-N -1 0 303.402 3.527 20 0 DHADRM C[C@@H](CSCCCc1ccccc1Br)C(=O)[O-] ZINC001592825967 979547507 /nfs/dbraw/zinc/54/75/07/979547507.db2.gz QPJBYYZGRBVDEW-JTQLQIEISA-N -1 0 317.248 3.836 20 0 DHADRM C[C@@H](CSc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001592829785 979550320 /nfs/dbraw/zinc/55/03/20/979550320.db2.gz BFGONZOGAHTQGC-NSHDSACASA-N -1 0 320.439 3.582 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000851620897 979551446 /nfs/dbraw/zinc/55/14/46/979551446.db2.gz VNLUCELLNWBLDZ-CYBMUJFWSA-N -1 0 323.437 3.638 20 0 DHADRM C[C@@H](CSCc1coc(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001592830110 979552406 /nfs/dbraw/zinc/55/24/06/979552406.db2.gz HXCUAZGIMDQEDN-QMMMGPOBSA-N -1 0 313.325 3.574 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C=C1CCCCC1 ZINC000856979361 979616851 /nfs/dbraw/zinc/61/68/51/979616851.db2.gz QXODHUSTPSQZDO-IRXDYDNUSA-N -1 0 313.397 3.694 20 0 DHADRM COC1(C[C@@H](C)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCC1 ZINC000859810261 979640303 /nfs/dbraw/zinc/64/03/03/979640303.db2.gz JOLVAVFCANFZQJ-CYBMUJFWSA-N -1 0 305.418 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@]2(C)CCC[C@H]2C)cc1)C(=O)[O-] ZINC001592858338 979670979 /nfs/dbraw/zinc/67/09/79/979670979.db2.gz PCMHALAYEKWAGW-SNUQEOBHSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)cc1)C(=O)[O-] ZINC001592858803 979676887 /nfs/dbraw/zinc/67/68/87/979676887.db2.gz METLFTUYESPCHR-UMVBOHGHSA-N -1 0 303.402 3.715 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2C2CCCCC2)o1 ZINC000864102912 979687689 /nfs/dbraw/zinc/68/76/89/979687689.db2.gz DOWCBCWRPSRWCV-SLZMIMFISA-N -1 0 317.385 3.562 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000864104474 979690799 /nfs/dbraw/zinc/69/07/99/979690799.db2.gz LDUKTEITVFXAAL-QRTARXTBSA-N -1 0 315.413 3.734 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000864108309 979697041 /nfs/dbraw/zinc/69/70/41/979697041.db2.gz UCEIBDSHMYHMCZ-MRXNPFEDSA-N -1 0 323.392 3.631 20 0 DHADRM CSCCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864116452 979709319 /nfs/dbraw/zinc/70/93/19/979709319.db2.gz FUNWCRNOYFLMGJ-MRXNPFEDSA-N -1 0 323.458 3.584 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC001592865910 979710320 /nfs/dbraw/zinc/71/03/20/979710320.db2.gz HUAWABPUXBPKJX-IOASZLSFSA-N -1 0 318.417 3.650 20 0 DHADRM O=C([O-])CCCCCNC(=O)CCc1cccc2ccccc21 ZINC000864119513 979713864 /nfs/dbraw/zinc/71/38/64/979713864.db2.gz FOGKZBINTPFWLV-UHFFFAOYSA-N -1 0 313.397 3.534 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)NCCCC2CCC2)cc1)C(=O)[O-] ZINC001592872070 979727026 /nfs/dbraw/zinc/72/70/26/979727026.db2.gz IMIBNSONGUBWCZ-ZDUSSCGKSA-N -1 0 318.417 3.652 20 0 DHADRM C[C@H](Cc1ccc(NC(=S)Nc2ccsc2)cc1)C(=O)[O-] ZINC001592877773 979746404 /nfs/dbraw/zinc/74/64/04/979746404.db2.gz PZRXHFXKDGAFBR-SNVBAGLBSA-N -1 0 320.439 3.820 20 0 DHADRM Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)cc1C(=O)[O-] ZINC000864143762 979748983 /nfs/dbraw/zinc/74/89/83/979748983.db2.gz IPZJUQKEHIJDFN-UHFFFAOYSA-N -1 0 321.376 3.775 20 0 DHADRM Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)c1 ZINC000864157524 979769177 /nfs/dbraw/zinc/76/91/77/979769177.db2.gz MNSOOHFMLBINNW-KRWDZBQOSA-N -1 0 323.392 3.631 20 0 DHADRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592885954 979772326 /nfs/dbraw/zinc/77/23/26/979772326.db2.gz UXNKJQBKDLPNRP-QWRGUYRKSA-N -1 0 320.316 3.600 20 0 DHADRM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592895925 979794048 /nfs/dbraw/zinc/79/40/48/979794048.db2.gz CUUZUTBNWATEDO-JTQLQIEISA-N -1 0 322.357 3.507 20 0 DHADRM C[C@@H](Cc1ccsc1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001592907403 979855351 /nfs/dbraw/zinc/85/53/51/979855351.db2.gz YTKYEKHHALKDQJ-ZETCQYMHSA-N -1 0 316.835 3.624 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000864226576 979912741 /nfs/dbraw/zinc/91/27/41/979912741.db2.gz KNXALYPPOLTDBM-MRXNPFEDSA-N -1 0 321.376 3.783 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C=C2CCCCC2)c1 ZINC000864229532 979924278 /nfs/dbraw/zinc/92/42/78/979924278.db2.gz MFMPMUMLRREHMX-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM CC[C@H](CSc1ccccc1)Nc1cccc(C(=O)[O-])n1 ZINC001595202427 979953660 /nfs/dbraw/zinc/95/36/60/979953660.db2.gz BSYMGTWISSYCNK-GFCCVEGCSA-N -1 0 302.399 3.763 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595210489 979984227 /nfs/dbraw/zinc/98/42/27/979984227.db2.gz HLAZEOVAAVJRRK-CYBMUJFWSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595211384 979991827 /nfs/dbraw/zinc/99/18/27/979991827.db2.gz TUVWSFCYQYBDOB-OAHLLOKOSA-N -1 0 311.381 3.901 20 0 DHADRM CC(F)(F)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001592935246 979997095 /nfs/dbraw/zinc/99/70/95/979997095.db2.gz FEILXRAGVVYOKI-AWEZNQCLSA-N -1 0 321.323 3.517 20 0 DHADRM CC(F)(F)CCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592939281 980006185 /nfs/dbraw/zinc/00/61/85/980006185.db2.gz XWYZAFXKAXWUOB-UHFFFAOYSA-N -1 0 307.296 3.912 20 0 DHADRM CC(F)(F)c1c(F)cccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001592943404 980014093 /nfs/dbraw/zinc/01/40/93/980014093.db2.gz JIMNKMOQNJFIGM-UHFFFAOYSA-N -1 0 323.270 3.888 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001592944048 980019233 /nfs/dbraw/zinc/01/92/33/980019233.db2.gz HETQIZDDIRZVPY-YPMHNXCESA-N -1 0 312.312 3.599 20 0 DHADRM CC(F)(F)c1ccc(C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001592944671 980022492 /nfs/dbraw/zinc/02/24/92/980022492.db2.gz ONQSWZZHAAYNGP-UHFFFAOYSA-N -1 0 312.312 3.599 20 0 DHADRM CC(F)(F)c1c(F)cccc1NCc1cccc(C(=O)[O-])n1 ZINC001592944505 980022551 /nfs/dbraw/zinc/02/25/51/980022551.db2.gz ZXQMEHAIGMHNGF-UHFFFAOYSA-N -1 0 310.275 3.643 20 0 DHADRM COc1ccc(C(=O)[O-])c2c1CN([C@H]1C=CCCCCC1)CC2 ZINC000872166294 980061621 /nfs/dbraw/zinc/06/16/21/980061621.db2.gz HDDVAGHYHSGRTA-AWEZNQCLSA-N -1 0 315.413 3.640 20 0 DHADRM CC[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC001595237679 980148714 /nfs/dbraw/zinc/14/87/14/980148714.db2.gz PVNXCWMLNDUKEW-QWGSZXSUSA-N -1 0 313.353 3.567 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887316410 980215066 /nfs/dbraw/zinc/21/50/66/980215066.db2.gz PPUDKHPUQGMVQP-SDBXPKJASA-N -1 0 321.270 3.699 20 0 DHADRM C[C@H]1[C@H](Nc2ccc(-c3cnco3)cc2)CC[C@H]1CC(=O)[O-] ZINC000901415657 980261729 /nfs/dbraw/zinc/26/17/29/980261729.db2.gz OMRSZPLSSWFUGT-OSAQELSMSA-N -1 0 300.358 3.643 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001595266313 980281105 /nfs/dbraw/zinc/28/11/05/980281105.db2.gz XQQGQQQYTOTTOL-ZETCQYMHSA-N -1 0 313.762 3.574 20 0 DHADRM CC[C@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC001595276982 980303567 /nfs/dbraw/zinc/30/35/67/980303567.db2.gz NOCJXOUWCGWFRD-LBPRGKRZSA-N -1 0 321.760 3.821 20 0 DHADRM CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1OC ZINC001595278426 980310770 /nfs/dbraw/zinc/31/07/70/980310770.db2.gz DWUYHICXGCPYGD-FZMZJTMJSA-N -1 0 303.358 3.788 20 0 DHADRM CC[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(C(=O)[O-])cc1 ZINC001595279616 980320968 /nfs/dbraw/zinc/32/09/68/980320968.db2.gz SXLSSMBAAMVTBB-ZUZCIYMTSA-N -1 0 320.339 3.860 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN1CCC[C@](F)(c2ccccc2)C1 ZINC000901545041 980372999 /nfs/dbraw/zinc/37/29/99/980372999.db2.gz YELLDEGPXLCUKR-GOSISDBHSA-N -1 0 317.360 3.747 20 0 DHADRM CN(Cc1cnc(C2CCC2)s1)Cc1ccc(C(=O)[O-])cc1 ZINC000901591325 980397246 /nfs/dbraw/zinc/39/72/46/980397246.db2.gz UGFOVIHMDGZLSB-UHFFFAOYSA-N -1 0 316.426 3.741 20 0 DHADRM CC(C)c1cnc(CNc2ccc(CCC(=O)[O-])cc2)s1 ZINC000901638359 980419483 /nfs/dbraw/zinc/41/94/83/980419483.db2.gz DBQNLBHPLSJQPM-UHFFFAOYSA-N -1 0 304.415 3.896 20 0 DHADRM O=C([O-])CCc1ccc(NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000901639052 980420141 /nfs/dbraw/zinc/42/01/41/980420141.db2.gz IXQADYMMKAYLOO-QGZVFWFLSA-N -1 0 324.424 3.642 20 0 DHADRM CC[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595301066 980437045 /nfs/dbraw/zinc/43/70/45/980437045.db2.gz WBTGOMZQTNBQQA-BVBGJJFLSA-N -1 0 321.323 3.897 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1N[C@H]1CCCC12CCOCC2 ZINC000901719289 980463411 /nfs/dbraw/zinc/46/34/11/980463411.db2.gz BFBQUNZTOMEHMI-INIZCTEOSA-N -1 0 303.402 3.763 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H]2CCCC23CCOCC3)cc1)C(=O)[O-] ZINC000901731224 980470059 /nfs/dbraw/zinc/47/00/59/980470059.db2.gz FJJXLNMTEAIABS-RHSMWYFYSA-N -1 0 317.429 3.711 20 0 DHADRM CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317088 980488561 /nfs/dbraw/zinc/48/85/61/980488561.db2.gz MUQPPOCHDMFIKB-QGZVFWFLSA-N -1 0 315.369 3.965 20 0 DHADRM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(C2CC2)n1 ZINC000901772371 980502000 /nfs/dbraw/zinc/50/20/00/980502000.db2.gz RHINQAXLHJGLJJ-CQSZACIVSA-N -1 0 308.447 3.534 20 0 DHADRM CC[C@@H](Nc1cnc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595322908 980517419 /nfs/dbraw/zinc/51/74/19/980517419.db2.gz NVKGVGGMWQIMFN-OAHLLOKOSA-N -1 0 307.353 3.891 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC2CCN(c3ccccc3)CC2)c1 ZINC000901814368 980536184 /nfs/dbraw/zinc/53/61/84/980536184.db2.gz HFOBHFVLBDOAAK-OAHLLOKOSA-N -1 0 324.424 3.956 20 0 DHADRM CC[C@@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595343761 980625717 /nfs/dbraw/zinc/62/57/17/980625717.db2.gz FEDWSVZAINYRDG-QLFBSQMISA-N -1 0 304.386 3.699 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cn1 ZINC001595347364 980640490 /nfs/dbraw/zinc/64/04/90/980640490.db2.gz CLEZIZSRHXZETO-OAHLLOKOSA-N -1 0 317.316 3.535 20 0 DHADRM Cc1cc(CNCc2csc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000901939389 980641151 /nfs/dbraw/zinc/64/11/51/980641151.db2.gz MMTJRQCYJNOUHU-UHFFFAOYSA-N -1 0 319.304 3.656 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000901943949 980643342 /nfs/dbraw/zinc/64/33/42/980643342.db2.gz HFSXEJUWPNUMPK-IXDOHACOSA-N -1 0 315.413 3.778 20 0 DHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1cccc(C)c1C ZINC000901977036 980658766 /nfs/dbraw/zinc/65/87/66/980658766.db2.gz PVPNNXJWDRBZJI-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CC[C@H](OC(=O)c1sc2cccc(C)c2c1Cl)C(=O)[O-] ZINC001595353727 980684366 /nfs/dbraw/zinc/68/43/66/980684366.db2.gz JIPFKAXMTJWQMD-QMMMGPOBSA-N -1 0 312.774 3.883 20 0 DHADRM CC[C@@H](SCc1cc(C(=O)[O-])c(C)o1)C(=O)OC(C)(C)C ZINC001595358245 980730505 /nfs/dbraw/zinc/73/05/05/980730505.db2.gz HIFUVTKZKYGZTI-GFCCVEGCSA-N -1 0 314.403 3.640 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC001595358754 980735243 /nfs/dbraw/zinc/73/52/43/980735243.db2.gz IKTXXMIRIADRAZ-CYBMUJFWSA-N -1 0 320.366 3.592 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)CC(C)C ZINC001595359572 980743028 /nfs/dbraw/zinc/74/30/28/980743028.db2.gz DSZKZEXWHNKNPN-GDBMZVCRSA-N -1 0 305.418 3.733 20 0 DHADRM CC[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1C(=O)[O-] ZINC001595359727 980744545 /nfs/dbraw/zinc/74/45/45/980744545.db2.gz ITWFMEVNWOJBHV-AOMKIAJQSA-N -1 0 320.385 3.924 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCC(C)C ZINC001595361189 980760194 /nfs/dbraw/zinc/76/01/94/980760194.db2.gz DUSBQVAITYYSME-INIZCTEOSA-N -1 0 305.418 3.877 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1=CCCCC1 ZINC001595361811 980765786 /nfs/dbraw/zinc/76/57/86/980765786.db2.gz PHGXKNJCNMNPHD-QGZVFWFLSA-N -1 0 315.413 3.941 20 0 DHADRM CC(C)OCc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902183619 980772429 /nfs/dbraw/zinc/77/24/29/980772429.db2.gz XYNHZXKDIZQXPJ-UKPHBRMFSA-N -1 0 305.418 3.913 20 0 DHADRM Cc1cc(CNc2ccc3cnn(C(C)C)c3c2)oc1C(=O)[O-] ZINC000902191257 980776343 /nfs/dbraw/zinc/77/63/43/980776343.db2.gz MNVAGMZHTOSHJO-UHFFFAOYSA-N -1 0 313.357 3.829 20 0 DHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001595363952 980788206 /nfs/dbraw/zinc/78/82/06/980788206.db2.gz MXXXFOPNPKDGLT-QGZVFWFLSA-N -1 0 311.381 3.998 20 0 DHADRM CCC1(C(=O)OCc2nc(C)c(C(=O)[O-])s2)CCCCC1 ZINC001595368870 980832045 /nfs/dbraw/zinc/83/20/45/980832045.db2.gz MWKNCXKIECRRHT-UHFFFAOYSA-N -1 0 311.403 3.553 20 0 DHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])cs2)cc1OC ZINC000902328275 980835572 /nfs/dbraw/zinc/83/55/72/980835572.db2.gz PXWYTAHURKZKDD-UHFFFAOYSA-N -1 0 321.398 3.856 20 0 DHADRM O=C(Nc1cccc(O)c1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000128677280 1014686959 /nfs/dbraw/zinc/68/69/59/1014686959.db2.gz OGDNYXVQOYLASR-ONGXEEELSA-N -1 0 307.271 3.552 20 0 DHADRM CCC1(CC)[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@@H]1OC ZINC001595373178 980870041 /nfs/dbraw/zinc/87/00/41/980870041.db2.gz DRPBESYGKVXYNO-YVSFHVDLSA-N -1 0 317.429 3.880 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001595374871 980888705 /nfs/dbraw/zinc/88/87/05/980888705.db2.gz ZXMFOEIQWVEUSC-CABCVRRESA-N -1 0 309.450 3.696 20 0 DHADRM CCC1(CC)CN(C(=O)C[C@H](C)CC(=O)[O-])c2ccccc21 ZINC001595375571 980897255 /nfs/dbraw/zinc/89/72/55/980897255.db2.gz RHZJIIIPWNRWQG-ZDUSSCGKSA-N -1 0 303.402 3.592 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc(C)c2)c1 ZINC000521332335 1014691643 /nfs/dbraw/zinc/69/16/43/1014691643.db2.gz HSYBRFGHIDPQRP-UHFFFAOYSA-N -1 0 311.381 3.865 20 0 DHADRM CCC1(CC)Oc2ccc(N[C@@H]3CC[C@@H](C(=O)[O-])C3)cc2O1 ZINC001595376884 980909063 /nfs/dbraw/zinc/90/90/63/980909063.db2.gz QEYUMLLIKOLLLX-VXGBXAGGSA-N -1 0 305.374 3.639 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000191021769 1014695865 /nfs/dbraw/zinc/69/58/65/1014695865.db2.gz IIXAFIGEWVSOTP-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM CCC1(c2noc(Cc3cccc(C(=O)[O-])c3)n2)CCCC1 ZINC001595399794 980973376 /nfs/dbraw/zinc/97/33/76/980973376.db2.gz XLMZDPGDVPVGET-UHFFFAOYSA-N -1 0 300.358 3.580 20 0 DHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595404539 980982405 /nfs/dbraw/zinc/98/24/05/980982405.db2.gz IQVSONIYXIKLKN-KWQFWETISA-N -1 0 310.419 3.715 20 0 DHADRM CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCO1 ZINC001595412048 981009108 /nfs/dbraw/zinc/00/91/08/981009108.db2.gz AJUBDUVLEBFSFH-HEHGZKQESA-N -1 0 320.385 3.584 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001595435487 981064924 /nfs/dbraw/zinc/06/49/24/981064924.db2.gz KBTDOOMGALGAGA-VNQPRFMTSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595436950 981072512 /nfs/dbraw/zinc/07/25/12/981072512.db2.gz YUMSIZNTZZQUHE-XXFAHNHDSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595439257 981074335 /nfs/dbraw/zinc/07/43/35/981074335.db2.gz CUMPTEANPRJYTG-XJKSGUPXSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595439255 981074432 /nfs/dbraw/zinc/07/44/32/981074432.db2.gz CUMPTEANPRJYTG-CJNGLKHVSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595439723 981075224 /nfs/dbraw/zinc/07/52/24/981075224.db2.gz GFAMFXDUJMQZNK-BZUAXINKSA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595439688 981075454 /nfs/dbraw/zinc/07/54/54/981075454.db2.gz FSZOHZQUWOFVOB-WCQYABFASA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595440372 981076570 /nfs/dbraw/zinc/07/65/70/981076570.db2.gz IURFXPRYPBKJEF-HUUCEWRRSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595440407 981077131 /nfs/dbraw/zinc/07/71/31/981077131.db2.gz JMEKCGCMYOOZEE-MNOVXSKESA-N -1 0 310.419 3.784 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595440413 981077262 /nfs/dbraw/zinc/07/72/62/981077262.db2.gz JPKKVRBUHUHDSM-STQMWFEESA-N -1 0 319.401 3.573 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595441068 981078161 /nfs/dbraw/zinc/07/81/61/981078161.db2.gz MTUZJARQYSDHIQ-WCQYABFASA-N -1 0 308.349 3.954 20 0 DHADRM C[C@H](Cc1ccc(NCc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC000904015163 981080957 /nfs/dbraw/zinc/08/09/57/981080957.db2.gz HJFYTBZXXKWNJR-LLVKDONJSA-N -1 0 304.777 3.610 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC000905006247 981085590 /nfs/dbraw/zinc/08/55/90/981085590.db2.gz NDMQBONNNJEEHY-UKRRQHHQSA-N -1 0 301.386 3.950 20 0 DHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595444254 981086795 /nfs/dbraw/zinc/08/67/95/981086795.db2.gz LSQVTAXIFXNXHN-NHYWBVRUSA-N -1 0 322.380 3.543 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000905056061 981088083 /nfs/dbraw/zinc/08/80/83/981088083.db2.gz OFFHZUPCWXLHNS-SSDOTTSWSA-N -1 0 320.723 3.510 20 0 DHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595448229 981097509 /nfs/dbraw/zinc/09/75/09/981097509.db2.gz NCUBJTYRAYDABA-CZUORRHYSA-N -1 0 319.401 3.617 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001595453755 981120426 /nfs/dbraw/zinc/12/04/26/981120426.db2.gz WLSZKOUZJIOMFE-NSHDSACASA-N -1 0 310.419 3.717 20 0 DHADRM CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC001595459941 981141289 /nfs/dbraw/zinc/14/12/89/981141289.db2.gz PEXHZSOEBBTABZ-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1nn(C(C)C)cc1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC000905756949 981143520 /nfs/dbraw/zinc/14/35/20/981143520.db2.gz AUWAHLFQKPQLJV-UHFFFAOYSA-N -1 0 324.384 3.631 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC2(C)CC2)cc1 ZINC000907605986 981199518 /nfs/dbraw/zinc/19/95/18/981199518.db2.gz ZORSUVGCSQBRJI-CQSZACIVSA-N -1 0 321.442 3.621 20 0 DHADRM O=C([O-])c1ccccc1CCNC(=O)c1ccccc1C1CCC1 ZINC000907850905 981234522 /nfs/dbraw/zinc/23/45/22/981234522.db2.gz PQEOVBHSASXLQF-UHFFFAOYSA-N -1 0 323.392 3.625 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC(CC2CCCCC2)CC1 ZINC000907873733 981236182 /nfs/dbraw/zinc/23/61/82/981236182.db2.gz QVGPVDZGFBRTPN-UHFFFAOYSA-N -1 0 309.450 3.840 20 0 DHADRM CC[C@@H]1CN(c2cccc(C(=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC001595492627 981254727 /nfs/dbraw/zinc/25/47/27/981254727.db2.gz RPUOABSEDCQLSW-ZBFHGGJFSA-N -1 0 310.397 3.800 20 0 DHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC=CCCC3)(CC1)CC2 ZINC000908122114 981266810 /nfs/dbraw/zinc/26/68/10/981266810.db2.gz LEDWUZAWQDRBQT-VNCLNFNDSA-N -1 0 319.445 3.664 20 0 DHADRM C/C=C\C[C@H](NC(=O)N[C@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000521528032 1014720592 /nfs/dbraw/zinc/72/05/92/1014720592.db2.gz KRSYSZARINSVDN-FJDWXNHUSA-N -1 0 324.808 3.510 20 0 DHADRM CC1=CC[C@@](C)(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC1 ZINC000908338357 981303572 /nfs/dbraw/zinc/30/35/72/981303572.db2.gz JTELKYXERWLUMH-QGZVFWFLSA-N -1 0 307.434 3.664 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502348 981319387 /nfs/dbraw/zinc/31/93/87/981319387.db2.gz XXVOMYORXRASIP-VXGBXAGGSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C1CCC(C)CC1 ZINC000908654899 981335082 /nfs/dbraw/zinc/33/50/82/981335082.db2.gz LVIHTTTUUGDCDW-SSHXOBKSSA-N -1 0 321.461 3.552 20 0 DHADRM CCC[C@](C)(CC)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595541892 981402172 /nfs/dbraw/zinc/40/21/72/981402172.db2.gz QEEGDLBEZBOHLE-LNENJAERSA-N -1 0 320.385 3.915 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N[C@H](CC(=O)[O-])C3CC3)c2c1 ZINC000909074456 981413907 /nfs/dbraw/zinc/41/39/07/981413907.db2.gz GFABQSMCUYFZQS-OAHLLOKOSA-N -1 0 315.369 3.539 20 0 DHADRM CCC[C@@](C)(NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001595554012 981433681 /nfs/dbraw/zinc/43/36/81/981433681.db2.gz VYSNEVPVXZKSLR-MRXNPFEDSA-N -1 0 322.792 3.503 20 0 DHADRM CC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC=CC1 ZINC000909225572 981437338 /nfs/dbraw/zinc/43/73/38/981437338.db2.gz CCFPPSGNWAVAHQ-UHFFFAOYSA-N -1 0 319.426 3.689 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000909288893 981460932 /nfs/dbraw/zinc/46/09/32/981460932.db2.gz XXMCSASWMWNMEQ-ZDUSSCGKSA-N -1 0 301.386 3.734 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595566675 981463109 /nfs/dbraw/zinc/46/31/09/981463109.db2.gz SHGKRZQZLQAUHN-AOCCPACDSA-N -1 0 315.413 3.726 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1c(C)oc2ccccc21 ZINC000909374447 981476040 /nfs/dbraw/zinc/47/60/40/981476040.db2.gz ARVNAXWSVVGAQO-UHFFFAOYSA-N -1 0 303.358 3.505 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC(C)(C)CC(F)(F)F ZINC000909377751 981477682 /nfs/dbraw/zinc/47/76/82/981477682.db2.gz SJIJXQHGVZFARE-UHFFFAOYSA-N -1 0 311.344 3.505 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909393286 981483396 /nfs/dbraw/zinc/48/33/96/981483396.db2.gz NVGDPQZXLJAFCO-RWBZWWBESA-N -1 0 309.450 3.887 20 0 DHADRM CCC[C@H](C)CCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595574000 981489821 /nfs/dbraw/zinc/48/98/21/981489821.db2.gz NNKAUWZMGVTBKE-NSHDSACASA-N -1 0 317.389 3.814 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595575172 981495073 /nfs/dbraw/zinc/49/50/73/981495073.db2.gz YNWHDVSBBLMYCE-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CCC[C@H](C)N(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001595579153 981505709 /nfs/dbraw/zinc/50/57/09/981505709.db2.gz SRBJLYXWCWXILD-NWDGAFQWSA-N -1 0 309.431 3.512 20 0 DHADRM CCC[C@@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595580833 981520841 /nfs/dbraw/zinc/52/08/41/981520841.db2.gz NWZXVRCOTTVVLB-SECBINFHSA-N -1 0 306.387 3.910 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1)C(=O)[O-] ZINC000909520819 981526813 /nfs/dbraw/zinc/52/68/13/981526813.db2.gz UCUVPZNIOOVCON-FZKQIMNGSA-N -1 0 301.386 3.635 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Oc1ccc(C(=O)[O-])c(OC)c1 ZINC001595586184 981529857 /nfs/dbraw/zinc/52/98/57/981529857.db2.gz RFHVAZYGKOSYPM-LBPRGKRZSA-N -1 0 308.374 3.761 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001595586157 981529975 /nfs/dbraw/zinc/52/99/75/981529975.db2.gz QGQWZILIRVBZAL-IRXDYDNUSA-N -1 0 319.445 3.651 20 0 DHADRM CCC[C@H](CC)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595587337 981541368 /nfs/dbraw/zinc/54/13/68/981541368.db2.gz JEPJFVBJLPMEPT-LBPRGKRZSA-N -1 0 324.446 3.954 20 0 DHADRM CCC[C@@H](CC)S[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595587894 981544817 /nfs/dbraw/zinc/54/48/17/981544817.db2.gz ZLQBXFGDNFONTC-ZIAGYGMSSA-N -1 0 310.415 3.911 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909723523 981579309 /nfs/dbraw/zinc/57/93/09/981579309.db2.gz BKMCTTCTWGGZDN-FTXHTYHOSA-N -1 0 321.461 3.887 20 0 DHADRM CCC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])C(C)(C)C ZINC001595600408 981579808 /nfs/dbraw/zinc/57/98/08/981579808.db2.gz KMNHEKQNULWFLC-OAHLLOKOSA-N -1 0 305.418 3.648 20 0 DHADRM CCC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)C1CCCC1 ZINC001595600788 981583738 /nfs/dbraw/zinc/58/37/38/981583738.db2.gz XEEKAHNFACKTNY-MRXNPFEDSA-N -1 0 303.402 3.782 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595600952 981585180 /nfs/dbraw/zinc/58/51/80/981585180.db2.gz ZNFWRIPRYSMHQM-AWEZNQCLSA-N -1 0 322.405 3.730 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001594743482 981624024 /nfs/dbraw/zinc/62/40/24/981624024.db2.gz SNQXCETVRMRZFP-UONOGXRCSA-N -1 0 323.820 3.545 20 0 DHADRM CCC[C@@H](OC)c1noc(-c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001595612139 981631357 /nfs/dbraw/zinc/63/13/57/981631357.db2.gz ZEEHTOMTNSUBNA-LLVKDONJSA-N -1 0 310.737 3.576 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909835760 981655693 /nfs/dbraw/zinc/65/56/93/981655693.db2.gz VLODKXFWQKIDGE-JTQLQIEISA-N -1 0 318.398 3.707 20 0 DHADRM CCC[C@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001595621949 981705180 /nfs/dbraw/zinc/70/51/80/981705180.db2.gz 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ZINC000910247254 981817780 /nfs/dbraw/zinc/81/77/80/981817780.db2.gz WENYUPQHIITKQZ-UHFFFAOYSA-N -1 0 313.353 3.797 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910253405 981828342 /nfs/dbraw/zinc/82/83/42/981828342.db2.gz AOUCWKJLJRNXKX-RVHFHTOBSA-N -1 0 319.445 3.616 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000910253480 981829101 /nfs/dbraw/zinc/82/91/01/981829101.db2.gz CWPLNVUZOIPTQO-ZDUSSCGKSA-N -1 0 301.342 3.613 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)[C@H](C)CC(=O)[O-])c2)o1 ZINC000910254237 981830459 /nfs/dbraw/zinc/83/04/59/981830459.db2.gz IABQOVQONLEKFV-LLVKDONJSA-N -1 0 301.342 3.613 20 0 DHADRM CCCC[C@H](C)[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595631238 981835493 /nfs/dbraw/zinc/83/54/93/981835493.db2.gz IDQGFROINKJEPY-QWHCGFSZSA-N -1 0 303.406 3.748 20 0 DHADRM CCCC[C@@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595631598 981841486 /nfs/dbraw/zinc/84/14/86/981841486.db2.gz WGDWDTSQONXGFS-HIFRSBDPSA-N -1 0 305.418 3.781 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(Cl)s1 ZINC001594790780 981843922 /nfs/dbraw/zinc/84/39/22/981843922.db2.gz HCTNPUWFYSBMLR-AWEZNQCLSA-N -1 0 315.822 3.507 20 0 DHADRM CCCC[C@H](CC)C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595631811 981844944 /nfs/dbraw/zinc/84/49/44/981844944.db2.gz FGHHJLYTCVHWOP-LBPRGKRZSA-N -1 0 307.390 3.573 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595632261 981852180 /nfs/dbraw/zinc/85/21/80/981852180.db2.gz UTLDICWOVVBQSU-CYBMUJFWSA-N -1 0 318.417 3.666 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)cc(Cl)c1 ZINC001594792335 981860850 /nfs/dbraw/zinc/86/08/50/981860850.db2.gz NWYPJQBNCMFFKE-KRWDZBQOSA-N -1 0 323.820 3.754 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594797137 981884860 /nfs/dbraw/zinc/88/48/60/981884860.db2.gz VOBZJERPTPNXHT-KNIAUWFNSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@H](NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC001595634500 981888883 /nfs/dbraw/zinc/88/88/83/981888883.db2.gz IWQPCZMZKZUMAG-YTBXXIDFSA-N -1 0 309.450 3.765 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCC=CCCC2)c2ccccc21 ZINC000910361280 981892183 /nfs/dbraw/zinc/89/21/83/981892183.db2.gz VFGIGKPKNFEZQT-GJZGRUSLSA-N -1 0 313.397 3.728 20 0 DHADRM CCCC[C@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634927 981895913 /nfs/dbraw/zinc/89/59/13/981895913.db2.gz QNISYWGHTQFTRQ-DDKJEQMHSA-N -1 0 317.429 3.757 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)C1CCC1 ZINC001595635901 981910183 /nfs/dbraw/zinc/91/01/83/981910183.db2.gz OZNVTQNABAVWKC-OAHLLOKOSA-N -1 0 319.405 3.569 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)CCSCC(=O)[O-])cc1 ZINC001594814659 981939920 /nfs/dbraw/zinc/93/99/20/981939920.db2.gz USBICKVRECKAND-UHFFFAOYSA-N -1 0 324.442 3.625 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001594815880 981946817 /nfs/dbraw/zinc/94/68/17/981946817.db2.gz SRGWZGBLWVOHQQ-DJJJIMSYSA-N -1 0 317.429 3.557 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001594817692 981958723 /nfs/dbraw/zinc/95/87/23/981958723.db2.gz UAURTSBTONMVLY-COPLHBTASA-N -1 0 323.355 3.505 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001594817695 981958743 /nfs/dbraw/zinc/95/87/43/981958743.db2.gz UAURTSBTONMVLY-UHIISALHSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC[C@@H](OC(=O)c1cc2ccccc2c(Cl)n1)C(=O)[O-] ZINC001595645491 981990393 /nfs/dbraw/zinc/99/03/93/981990393.db2.gz RITHSDDKQRAHDS-CYBMUJFWSA-N -1 0 321.760 3.688 20 0 DHADRM CC[C@@H](C)n1nc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC000910649680 982041653 /nfs/dbraw/zinc/04/16/53/982041653.db2.gz JINZDCNQNBJHLG-GFCCVEGCSA-N -1 0 321.421 3.526 20 0 DHADRM CCCC[C@H](SCCC(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595655128 982042453 /nfs/dbraw/zinc/04/24/53/982042453.db2.gz HLQWBQGRBZZSSF-AWEZNQCLSA-N -1 0 309.431 3.700 20 0 DHADRM CCCCC1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC001595656626 982054312 /nfs/dbraw/zinc/05/43/12/982054312.db2.gz BMSICIHEXASPIP-UHFFFAOYSA-N -1 0 321.442 3.913 20 0 DHADRM CCCCC1CCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001595661803 982077876 /nfs/dbraw/zinc/07/78/76/982077876.db2.gz ZEYBIJRFHJLQDU-SSHXOBKSSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910721724 982083938 /nfs/dbraw/zinc/08/39/38/982083938.db2.gz WOLUZLYGAWZCER-VXGBXAGGSA-N -1 0 324.446 3.640 20 0 DHADRM CC[C@H](C)CCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910725167 982089369 /nfs/dbraw/zinc/08/93/69/982089369.db2.gz VYKQRTBRQAITDM-CMPLNLGQSA-N -1 0 324.446 3.640 20 0 DHADRM CC(C)(C)CCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910732108 982094558 /nfs/dbraw/zinc/09/45/58/982094558.db2.gz JVVIKQNWRKIYDX-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001595665994 982095938 /nfs/dbraw/zinc/09/59/38/982095938.db2.gz AYIJPGXCXDKZJR-OAHLLOKOSA-N -1 0 312.435 3.801 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910734911 982098027 /nfs/dbraw/zinc/09/80/27/982098027.db2.gz XLFCQQKZTZXGOU-PWSUYJOCSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595666265 982098610 /nfs/dbraw/zinc/09/86/10/982098610.db2.gz HKQBPTDOHATKRH-QGZVFWFLSA-N -1 0 323.437 3.638 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595670303 982117244 /nfs/dbraw/zinc/11/72/44/982117244.db2.gz OLNFMWWBTNQISS-QWHCGFSZSA-N -1 0 311.447 3.987 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cncc4ccccc43)(CC1)CC2 ZINC000910802371 982124086 /nfs/dbraw/zinc/12/40/86/982124086.db2.gz VZENYDQTEVETMJ-UHFFFAOYSA-N -1 0 324.380 3.599 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001595672162 982130495 /nfs/dbraw/zinc/13/04/95/982130495.db2.gz MFDVDDOBMRHOHR-IAGOWNOFSA-N -1 0 319.445 3.966 20 0 DHADRM CC/C(C)=C(/C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594861222 982145419 /nfs/dbraw/zinc/14/54/19/982145419.db2.gz BZVGUHCIGIKMBJ-SEYXRHQNSA-N -1 0 316.401 3.670 20 0 DHADRM CC/C(C)=C(/C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594862156 982152896 /nfs/dbraw/zinc/15/28/96/982152896.db2.gz SRIFIUKQXHPLDV-QXMHVHEDSA-N -1 0 305.374 3.857 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1CC(=O)[O-] ZINC000910868094 982156802 /nfs/dbraw/zinc/15/68/02/982156802.db2.gz DPRJIJAXEMTMKP-RDTXWAMCSA-N -1 0 323.392 3.536 20 0 DHADRM Cc1ccc(C)c(C(=O)NCCCC2CCCC2)c1C(=O)[O-] ZINC000389788973 1014806960 /nfs/dbraw/zinc/80/69/60/1014806960.db2.gz HEPMXYIYUXQRRT-UHFFFAOYSA-N -1 0 303.402 3.702 20 0 DHADRM O=C([O-])CN(C(=O)Nc1ccc(F)c(C2CC2)c1)C1CCCC1 ZINC000521824848 1014811863 /nfs/dbraw/zinc/81/18/63/1014811863.db2.gz TWPQGRUFLGHCBM-UHFFFAOYSA-N -1 0 320.364 3.564 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873570 982195069 /nfs/dbraw/zinc/19/50/69/982195069.db2.gz NUCAACNBVSVETE-MEDUHNTESA-N -1 0 320.820 3.610 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001594873851 982196801 /nfs/dbraw/zinc/19/68/01/982196801.db2.gz QHSCKDLFVUJTQQ-STQMWFEESA-N -1 0 303.402 3.736 20 0 DHADRM CCCCCC[C@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595695368 982218651 /nfs/dbraw/zinc/21/86/51/982218651.db2.gz ULDBQHDUGBMINU-GOEBONIOSA-N -1 0 311.466 3.990 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000911082797 982229344 /nfs/dbraw/zinc/22/93/44/982229344.db2.gz OPIZZHGLBQAJLD-UHFFFAOYSA-N -1 0 317.341 3.545 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001594881166 982236147 /nfs/dbraw/zinc/23/61/47/982236147.db2.gz AVEKEHDZNZTVNS-XQQFMLRXSA-N -1 0 306.406 3.506 20 0 DHADRM CCCCCC[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595697286 982239786 /nfs/dbraw/zinc/23/97/86/982239786.db2.gz JUXMRAAOUFQJDP-ZDUSSCGKSA-N -1 0 303.406 3.892 20 0 DHADRM CCCCCC[C@H](C)NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001595698286 982249361 /nfs/dbraw/zinc/24/93/61/982249361.db2.gz QMZCAOXROYNBHT-ZDUSSCGKSA-N -1 0 323.458 3.952 20 0 DHADRM CCCCCC[C@H](C)CC(=O)NCc1ccccc1C(=O)[O-] ZINC001595698237 982249583 /nfs/dbraw/zinc/24/95/83/982249583.db2.gz PRYTXADQCNKHML-AWEZNQCLSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCCN(Cc1ccc(F)cc1)c1ccnc(C(=O)[O-])n1 ZINC001595716052 982318671 /nfs/dbraw/zinc/31/86/71/982318671.db2.gz NPWOTEBXJKCVCW-UHFFFAOYSA-N -1 0 317.364 3.511 20 0 DHADRM CCS[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)C ZINC000911386720 982409787 /nfs/dbraw/zinc/40/97/87/982409787.db2.gz HKACUHHFZRLOKG-CQSZACIVSA-N -1 0 320.414 3.582 20 0 DHADRM Cc1cc2cc[nH]c2cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911405727 982418617 /nfs/dbraw/zinc/41/86/17/982418617.db2.gz JPYXDKUHVINPPR-UHFFFAOYSA-N -1 0 314.385 3.840 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000911437540 982432950 /nfs/dbraw/zinc/43/29/50/982432950.db2.gz AWTHHSZYZDVXQU-UHFFFAOYSA-N -1 0 305.305 3.669 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911452471 982436864 /nfs/dbraw/zinc/43/68/64/982436864.db2.gz NLLNBSNXNJKNQA-CQSZACIVSA-N -1 0 309.793 3.649 20 0 DHADRM CCCCNc1nnc(S[C@H](CC(C)(C)C)C(=O)[O-])s1 ZINC001595763356 982471065 /nfs/dbraw/zinc/47/10/65/982471065.db2.gz IOLSHNLXQHCWQC-SECBINFHSA-N -1 0 317.480 3.732 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC001594928514 982538487 /nfs/dbraw/zinc/53/84/87/982538487.db2.gz JKRCUVNFTQJSKM-BXKDBHETSA-N -1 0 306.387 3.636 20 0 DHADRM CCCCOc1cccc(CNc2ccc(C(=O)[O-])cn2)c1 ZINC001595780490 982548705 /nfs/dbraw/zinc/54/87/05/982548705.db2.gz CIQJTUBKAWENCM-UHFFFAOYSA-N -1 0 300.358 3.571 20 0 DHADRM CCCCc1ccc(OC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001595796541 982602747 /nfs/dbraw/zinc/60/27/47/982602747.db2.gz NTDJLHKMKVNLHU-UHFFFAOYSA-N -1 0 312.365 3.876 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cccc1C(=O)[O-] ZINC000911733618 982618343 /nfs/dbraw/zinc/61/83/43/982618343.db2.gz GCMQBYWGRXYSLR-OUCADQQQSA-N -1 0 317.385 3.547 20 0 DHADRM CC(C)Oc1c(NC(=O)/C=C2\CC[C@H](C)C2)cccc1C(=O)[O-] ZINC000911738238 982620457 /nfs/dbraw/zinc/62/04/57/982620457.db2.gz QJLFNXUOBJPREF-CVCOIXHCSA-N -1 0 317.385 3.857 20 0 DHADRM Cc1coc(C)c1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738766 982621470 /nfs/dbraw/zinc/62/14/70/982621470.db2.gz ZWBBGLWZABFRKX-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001594945339 982632749 /nfs/dbraw/zinc/63/27/49/982632749.db2.gz BFBBPGBZDWUDDL-WFASDCNBSA-N -1 0 323.458 3.806 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001594950256 982658540 /nfs/dbraw/zinc/65/85/40/982658540.db2.gz WLTXJCNFRGEMRV-NOZJJQNGSA-N -1 0 323.776 3.705 20 0 DHADRM CCCN(C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)[C@@H](C)C(=O)[O-] ZINC001595816596 982674150 /nfs/dbraw/zinc/67/41/50/982674150.db2.gz JAIVYLZKBXJUMY-YCKKSLKMSA-N -1 0 309.450 3.717 20 0 DHADRM CCCN(C(=O)CCSCC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595816801 982675660 /nfs/dbraw/zinc/67/56/60/982675660.db2.gz PJBZADJOARLKRJ-OAHLLOKOSA-N -1 0 323.458 3.584 20 0 DHADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594956858 982690098 /nfs/dbraw/zinc/69/00/98/982690098.db2.gz HKEMYJOBYMEDIP-UGSOOPFHSA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594956856 982690300 /nfs/dbraw/zinc/69/03/00/982690300.db2.gz HKEMYJOBYMEDIP-FZKQIMNGSA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594958534 982698472 /nfs/dbraw/zinc/69/84/72/982698472.db2.gz VUKAMOGHIOFPQI-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000923054125 982699263 /nfs/dbraw/zinc/69/92/63/982699263.db2.gz JARAUCGNNPDBKL-NXOAAHMSSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000923062985 982701990 /nfs/dbraw/zinc/70/19/90/982701990.db2.gz PGEGUFGTENKMJW-SJORKVTESA-N -1 0 323.392 3.521 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000923063480 982702073 /nfs/dbraw/zinc/70/20/73/982702073.db2.gz FUHPOSXBINUTCG-BTTYYORXSA-N -1 0 315.413 3.814 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001594959416 982706711 /nfs/dbraw/zinc/70/67/11/982706711.db2.gz TXGGPOSXKLCMSW-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CC[C@H](C)CCCCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001594959442 982707074 /nfs/dbraw/zinc/70/70/74/982707074.db2.gz UJWPIEJIRXEJBN-AWEZNQCLSA-N -1 0 305.418 3.536 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCc1cccs1 ZINC000923092222 982717457 /nfs/dbraw/zinc/71/74/57/982717457.db2.gz PCHMYSIENNUWIB-UHFFFAOYSA-N -1 0 309.412 3.778 20 0 DHADRM COc1cc(C)cc(C(=O)Nc2cc(C(=O)[O-])sc2C)c1C ZINC000923092665 982718325 /nfs/dbraw/zinc/71/83/25/982718325.db2.gz OLQOMHLUFAJWKM-UHFFFAOYSA-N -1 0 319.382 3.632 20 0 DHADRM CC[C@@H](C)N(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594966844 982724802 /nfs/dbraw/zinc/72/48/02/982724802.db2.gz FIMDIYUJNLYWKF-SNVBAGLBSA-N -1 0 324.446 3.977 20 0 DHADRM Cc1ccc2sc(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)cc2c1 ZINC000923154786 982770184 /nfs/dbraw/zinc/77/01/84/982770184.db2.gz HKQFNKKZZLKXLL-VXGBXAGGSA-N -1 0 317.410 3.535 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594983911 982790781 /nfs/dbraw/zinc/79/07/81/982790781.db2.gz TYJWGAWFUFFRQR-LLVKDONJSA-N -1 0 315.373 3.585 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cc(C)ccc2C)C(C(=O)[O-])=C1C ZINC001594985383 982799802 /nfs/dbraw/zinc/79/98/02/982799802.db2.gz OLQNRCPZRDOYEE-WBMJQRKESA-N -1 0 316.401 3.527 20 0 DHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccsc1 ZINC000923211301 982840843 /nfs/dbraw/zinc/84/08/43/982840843.db2.gz MBGJZCDTTPQEDQ-LBPRGKRZSA-N -1 0 309.431 3.536 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccsc2C(=O)[O-])c1 ZINC001595007946 982927398 /nfs/dbraw/zinc/92/73/98/982927398.db2.gz IMVFOBLDUNBLFC-JTQLQIEISA-N -1 0 319.382 3.876 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2cc(C(=O)[O-])n(C)c2)c1 ZINC001595008683 982929599 /nfs/dbraw/zinc/92/95/99/982929599.db2.gz 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ZINC001596037647 983322297 /nfs/dbraw/zinc/32/22/97/983322297.db2.gz LXNLNVZCPVXEBG-LLVKDONJSA-N -1 0 308.422 3.530 20 0 DHADRM CCCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC001596062274 983371608 /nfs/dbraw/zinc/37/16/08/983371608.db2.gz DJZJMEZAHZYQGL-UHFFFAOYSA-N -1 0 313.353 3.598 20 0 DHADRM CCCc1ccc(C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001596062620 983372185 /nfs/dbraw/zinc/37/21/85/983372185.db2.gz HIAIILZIANAQIX-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)s1 ZINC001596063430 983374907 /nfs/dbraw/zinc/37/49/07/983374907.db2.gz YNNIYUILHRHABX-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001596063458 983375362 /nfs/dbraw/zinc/37/53/62/983375362.db2.gz ZRVIYOWQNQBETM-UHFFFAOYSA-N -1 0 319.307 3.868 20 0 DHADRM CCCc1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001596064672 983377823 /nfs/dbraw/zinc/37/78/23/983377823.db2.gz JAZMYMFXDSBMAF-UHFFFAOYSA-N -1 0 306.406 3.794 20 0 DHADRM CCCc1ccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC001596065280 983380102 /nfs/dbraw/zinc/38/01/02/983380102.db2.gz WCTLATATFNEXJB-INIZCTEOSA-N -1 0 319.426 3.625 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])o1 ZINC001596082314 983400093 /nfs/dbraw/zinc/40/00/93/983400093.db2.gz SSPVXMYIINNPHJ-UHFFFAOYSA-N -1 0 322.386 3.564 20 0 DHADRM CCN(C(=O)CC(C)(C)C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001596133340 983481635 /nfs/dbraw/zinc/48/16/35/983481635.db2.gz IZURBDFHOQIELU-UHFFFAOYSA-N -1 0 317.307 3.716 20 0 DHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC001596137439 983486373 /nfs/dbraw/zinc/48/63/73/983486373.db2.gz KUUGAQQLXNVKEN-NTMALXAHSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(C)c1C ZINC001596143036 983495623 /nfs/dbraw/zinc/49/56/23/983495623.db2.gz IFNCWKRZGJPMNQ-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCN(CC1CCC1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001596294364 983715826 /nfs/dbraw/zinc/71/58/26/983715826.db2.gz VDKYAAZRDMZLAW-CYBMUJFWSA-N -1 0 318.417 3.604 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000323912512 1014971584 /nfs/dbraw/zinc/97/15/84/1014971584.db2.gz SDBARQYMBVQVRD-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)C1(c2ccc(C(C)C)cc2)CCC1 ZINC001596303400 983730014 /nfs/dbraw/zinc/73/00/14/983730014.db2.gz BSTCULPWMPNTDB-UHFFFAOYSA-N -1 0 317.429 3.555 20 0 DHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)[O-] ZINC001596354210 983815039 /nfs/dbraw/zinc/81/50/39/983815039.db2.gz CYZPDKMJLOIHOH-UHFFFAOYSA-N -1 0 322.364 3.528 20 0 DHADRM CC(=Cc1cc(F)c([O-])c(F)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000093902438 1014982583 /nfs/dbraw/zinc/98/25/83/1014982583.db2.gz GBRQJBUSWMWLBR-DAXSKMNVSA-N -1 0 320.320 3.529 20 0 DHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596371879 983874693 /nfs/dbraw/zinc/87/46/93/983874693.db2.gz RIOHMDUWQDACIX-UHFFFAOYSA-N -1 0 316.332 3.578 20 0 DHADRM C=C/C=C\CCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588721955 983973696 /nfs/dbraw/zinc/97/36/96/983973696.db2.gz VGVBCJDHEMJXHC-ARJAWSKDSA-N -1 0 316.382 3.853 20 0 DHADRM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000665350866 1015005657 /nfs/dbraw/zinc/00/56/57/1015005657.db2.gz HNZBBYGCVSBXCX-UHFFFAOYSA-N -1 0 310.246 3.988 20 0 DHADRM CCNc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001596505061 984262166 /nfs/dbraw/zinc/26/21/66/984262166.db2.gz XSRCSEPMLOOIGY-UHFFFAOYSA-N -1 0 318.760 3.722 20 0 DHADRM CC1CCC(CC(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000522334682 1015037836 /nfs/dbraw/zinc/03/78/36/1015037836.db2.gz KZWYCFISYJZPAA-UHFFFAOYSA-N -1 0 315.442 3.782 20 0 DHADRM CCOC(=O)C[C@@H](C)SCc1cccc(C(=O)[O-])c1Cl ZINC001596592617 984530864 /nfs/dbraw/zinc/53/08/64/984530864.db2.gz NANZEABPHOOUDA-SECBINFHSA-N -1 0 316.806 3.613 20 0 DHADRM CCOC(=O)C[C@@H](C)SCc1c(Cl)cccc1C(=O)[O-] ZINC001596593065 984533713 /nfs/dbraw/zinc/53/37/13/984533713.db2.gz WKUODQNRUGSXIL-SECBINFHSA-N -1 0 316.806 3.613 20 0 DHADRM C=Cc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001588919841 984574675 /nfs/dbraw/zinc/57/46/75/984574675.db2.gz RPNIJUIEHWFEFN-UHFFFAOYSA-N -1 0 303.264 3.558 20 0 DHADRM C=Cc1ccc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)cc1 ZINC001588920103 984575652 /nfs/dbraw/zinc/57/56/52/984575652.db2.gz VEWOARYIARZVHX-UHFFFAOYSA-N -1 0 321.376 3.929 20 0 DHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)C(C)(C)C ZINC001588939886 984632054 /nfs/dbraw/zinc/63/20/54/984632054.db2.gz UTTLKEYKMRGSGH-QSOAKEGCSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1cccs1 ZINC001588943846 984642026 /nfs/dbraw/zinc/64/20/26/984642026.db2.gz GAUMUOGBEMRXRF-CMDGGOBGSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C\C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccco1 ZINC001588944126 984645054 /nfs/dbraw/zinc/64/50/54/984645054.db2.gz QAPKMCVLLQVNLG-JXMROGBWSA-N -1 0 310.309 3.501 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1csc(Cl)c1 ZINC001599888165 984662226 /nfs/dbraw/zinc/66/22/26/984662226.db2.gz CSWJOYFDLGSOJK-SNVBAGLBSA-N -1 0 323.801 3.517 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC001599888538 984666389 /nfs/dbraw/zinc/66/63/89/984666389.db2.gz KQCZFDMKDRKWBJ-SNVBAGLBSA-N -1 0 323.801 3.517 20 0 DHADRM C/C(=C\C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)c1cccc(F)c1 ZINC001588952942 984690434 /nfs/dbraw/zinc/69/04/34/984690434.db2.gz FPULDYVJYVROEX-CDCCAWJDSA-N -1 0 318.300 3.825 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001588955922 984700423 /nfs/dbraw/zinc/70/04/23/984700423.db2.gz CZZRVGNXBPWBPU-FARIXCSGSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001588956270 984702609 /nfs/dbraw/zinc/70/26/09/984702609.db2.gz KSCGGGBISAAROP-DHZHZOJOSA-N -1 0 322.430 3.577 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001588956650 984707824 /nfs/dbraw/zinc/70/78/24/984707824.db2.gz WWYILAVCTHEAFR-MKDVHGTGSA-N -1 0 315.413 3.701 20 0 DHADRM C[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001599892881 984716939 /nfs/dbraw/zinc/71/69/39/984716939.db2.gz IDLVPRNTXLOJES-FGEFZZPRSA-N -1 0 319.744 3.522 20 0 DHADRM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC001596666763 984731684 /nfs/dbraw/zinc/73/16/84/984731684.db2.gz NEDBVSKTVSAPOK-YWPYICTPSA-N -1 0 320.389 3.556 20 0 DHADRM C/C(=C\CN1CCc2cc(-c3cccc(F)c3)ccc21)C(=O)[O-] ZINC001588961029 984732634 /nfs/dbraw/zinc/73/26/34/984732634.db2.gz DDKMRHURFHIVGL-NTUHNPAUSA-N -1 0 311.356 3.886 20 0 DHADRM C[C@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1CCCC1 ZINC001599902670 984868659 /nfs/dbraw/zinc/86/86/59/984868659.db2.gz JYWXOLUTRVVSRD-QMMMGPOBSA-N -1 0 302.296 3.789 20 0 DHADRM C[C@@H]1C[C@H](Nc2cccc3cc(C(=O)[O-])sc32)C[C@H](C)O1 ZINC001599905287 984914529 /nfs/dbraw/zinc/91/45/29/984914529.db2.gz FGJLKJTYBDXKCL-IAZYJMLFSA-N -1 0 305.399 3.967 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)c1ncc(C(=O)[O-])cc1Cl ZINC001589003843 984957967 /nfs/dbraw/zinc/95/79/67/984957967.db2.gz NUXDJAUDHMHXQV-WQLSENKSSA-N -1 0 316.788 3.973 20 0 DHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001589023254 985022777 /nfs/dbraw/zinc/02/27/77/985022777.db2.gz NKPPOVIQDHMUEQ-OLZOCXBDSA-N -1 0 319.401 3.599 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@]1(C)C(=O)[O-] ZINC001599925790 985198091 /nfs/dbraw/zinc/19/80/91/985198091.db2.gz QIRZVQDZLGSRCY-XOBRGWDASA-N -1 0 323.392 3.536 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000656738452 1015106642 /nfs/dbraw/zinc/10/66/42/1015106642.db2.gz WDUZZMOTEJLTPF-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656739118 1015109520 /nfs/dbraw/zinc/10/95/20/1015109520.db2.gz SZSBBSVUNYTKIT-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000656738069 1015110292 /nfs/dbraw/zinc/11/02/92/1015110292.db2.gz QRWIYSFEENBOPU-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1F ZINC000656737830 1015110300 /nfs/dbraw/zinc/11/03/00/1015110300.db2.gz BGGDIRYCAVEFHB-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1csc(Cl)c1 ZINC000188867818 1015112617 /nfs/dbraw/zinc/11/26/17/1015112617.db2.gz YZZCEFVAPPFIHZ-DUXPYHPUSA-N -1 0 309.730 3.911 20 0 DHADRM CCO[C@H](c1noc(-c2oc(C(=O)[O-])cc2C)n1)C1CCCC1 ZINC001596791366 985275352 /nfs/dbraw/zinc/27/53/52/985275352.db2.gz UOGJVFMHNSHOHT-ZDUSSCGKSA-N -1 0 320.345 3.604 20 0 DHADRM CCOC1CC(SCc2cccc(C(=O)[O-])c2Cl)C1 ZINC001596847463 985558857 /nfs/dbraw/zinc/55/88/57/985558857.db2.gz SUGRSMXNQMZQJN-UHFFFAOYSA-N -1 0 300.807 3.839 20 0 DHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2ccccc2F)c(C)c1C(=O)[O-] ZINC001599948698 985572353 /nfs/dbraw/zinc/57/23/53/985572353.db2.gz REKHVCKNMPGICO-JTQLQIEISA-N -1 0 321.373 3.832 20 0 DHADRM C[C@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])[C@H]1c1ccccc1 ZINC001594494287 985624644 /nfs/dbraw/zinc/62/46/44/985624644.db2.gz OGVAHCGUXHHFSD-IFXJQAMLSA-N -1 0 323.392 3.537 20 0 DHADRM CC(=O)Nc1ccc(SCCc2ccccc2C(=O)[O-])cc1 ZINC001589204132 985657117 /nfs/dbraw/zinc/65/71/17/985657117.db2.gz JOCQMKFRQVVJTQ-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1ccc(Cl)cc1 ZINC001599962264 985807538 /nfs/dbraw/zinc/80/75/38/985807538.db2.gz ZZRMKGNTHKJJHI-UHFFFAOYSA-N -1 0 309.774 3.650 20 0 DHADRM CC(=O)c1c(C)cc(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC001589255437 985893069 /nfs/dbraw/zinc/89/30/69/985893069.db2.gz XNAXKLFHBWDWQA-HOCLYGCPSA-N -1 0 304.386 3.776 20 0 DHADRM CC(=O)c1c(C)cc(NC(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC001589255419 985893232 /nfs/dbraw/zinc/89/32/32/985893232.db2.gz WRPIMQIAOVQGLQ-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC001589267514 985944847 /nfs/dbraw/zinc/94/48/47/985944847.db2.gz BJZGGTBAZSRBIE-UHFFFAOYSA-N -1 0 324.741 3.522 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)s1 ZINC001589277729 985997575 /nfs/dbraw/zinc/99/75/75/985997575.db2.gz YGWXSQPIAAGOLY-UHFFFAOYSA-N -1 0 323.757 3.555 20 0 DHADRM CC(=O)c1ccc(C(F)(F)F)nc1SCC(C)(C)C(=O)[O-] ZINC001589278361 985997699 /nfs/dbraw/zinc/99/76/99/985997699.db2.gz BDYATPOOMZVVSI-UHFFFAOYSA-N -1 0 321.320 3.506 20 0 DHADRM CCOCc1ccc(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001596946431 986096328 /nfs/dbraw/zinc/09/63/28/986096328.db2.gz OJBZJTUTENFTIO-UHFFFAOYSA-N -1 0 324.336 3.638 20 0 DHADRM CC(=O)c1ccsc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001589316797 986114359 /nfs/dbraw/zinc/11/43/59/986114359.db2.gz ZIBXLGJOVMAANS-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM CCON(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596969259 986191367 /nfs/dbraw/zinc/19/13/67/986191367.db2.gz YJAZVZHHTHNZIZ-UHFFFAOYSA-N -1 0 319.788 3.992 20 0 DHADRM Cc1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccn1C(C)C ZINC001599983831 986202715 /nfs/dbraw/zinc/20/27/15/986202715.db2.gz GSRAOONXURWKST-UHFFFAOYSA-N -1 0 314.385 3.647 20 0 DHADRM CC(C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)=C1CCCC1 ZINC001589359161 986354569 /nfs/dbraw/zinc/35/45/69/986354569.db2.gz LHQZEVSENFZDTO-UHFFFAOYSA-N -1 0 313.397 3.945 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])C(C)(C)C ZINC001589368735 986402593 /nfs/dbraw/zinc/40/25/93/986402593.db2.gz KQCFKIZCMDHKMR-WOSRLPQWSA-N -1 0 317.429 3.515 20 0 DHADRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)c(F)cc1OC ZINC001597038316 986485082 /nfs/dbraw/zinc/48/50/82/986485082.db2.gz LRHLFSXSLWIWIW-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM C[C@@H]1CSC(S[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])=N1 ZINC001594609649 986597531 /nfs/dbraw/zinc/59/75/31/986597531.db2.gz IWIFHQPLKJGCGQ-KCJUWKMLSA-N -1 0 315.847 3.560 20 0 DHADRM C[C@@H]1COc2ccccc2N1Cc1cccc(C(=O)[O-])c1Cl ZINC001594610549 986600220 /nfs/dbraw/zinc/60/02/20/986600220.db2.gz QQDXWEDQXRSAHH-LLVKDONJSA-N -1 0 317.772 3.826 20 0 DHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001589414264 986628510 /nfs/dbraw/zinc/62/85/10/986628510.db2.gz CZTMQWRXQLLTMG-SECBINFHSA-N -1 0 323.801 3.520 20 0 DHADRM C[C@H]([C@H](C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC001589422235 986662564 /nfs/dbraw/zinc/66/25/64/986662564.db2.gz FMVSDNDPTOPZLF-LZWOXQAQSA-N -1 0 319.445 3.507 20 0 DHADRM C[C@H]1Cc2ccccc2N1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594623676 986677818 /nfs/dbraw/zinc/67/78/18/986677818.db2.gz HNHBWWVRROPCJQ-NSHDSACASA-N -1 0 301.773 3.989 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(C)(F)F ZINC001589438800 986765775 /nfs/dbraw/zinc/76/57/75/986765775.db2.gz BEVBEZSVHSXPTD-ZETCQYMHSA-N -1 0 313.325 3.829 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1F ZINC001597122942 986821221 /nfs/dbraw/zinc/82/12/21/986821221.db2.gz IQNHTPNWWVRLLX-UHFFFAOYSA-N -1 0 307.296 3.674 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C1CCC(C)(C)CC1)c1ccccc1 ZINC001589454628 986882485 /nfs/dbraw/zinc/88/24/85/986882485.db2.gz PNIPDXRAUKRAMN-XJKSGUPXSA-N -1 0 317.429 3.781 20 0 DHADRM CCOc1ccc(SCCOc2cccc(C(=O)[O-])c2)cc1 ZINC001597140237 986885162 /nfs/dbraw/zinc/88/51/62/986885162.db2.gz SODBZGIUZWHRHR-UHFFFAOYSA-N -1 0 318.394 3.955 20 0 DHADRM CCOc1ccc2cc(C(=O)c3ccc(C(=O)[O-])cc3)oc2c1 ZINC001597144438 986904391 /nfs/dbraw/zinc/90/43/91/986904391.db2.gz VSYWKZBKCNEWMI-UHFFFAOYSA-N -1 0 310.305 3.761 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC001589470022 986951268 /nfs/dbraw/zinc/95/12/68/986951268.db2.gz UDNQTJKXGCSESW-RNCFNFMXSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H]1Sc2ccccc2N(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1C ZINC001594665256 986957252 /nfs/dbraw/zinc/95/72/52/986957252.db2.gz CLIUBKGHCKJGMC-NWDGAFQWSA-N -1 0 321.442 3.793 20 0 DHADRM C[C@@H]1c2c(F)cccc2CCN1Cc1csc(C(=O)[O-])c1 ZINC001594665887 986960660 /nfs/dbraw/zinc/96/06/60/986960660.db2.gz MMLAAXIYMUYZOP-SNVBAGLBSA-N -1 0 305.374 3.705 20 0 DHADRM CCOc1ccccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001597167821 986994060 /nfs/dbraw/zinc/99/40/60/986994060.db2.gz HEZCMBBQONKCNK-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001594685997 987059484 /nfs/dbraw/zinc/05/94/84/987059484.db2.gz KQEHLLDUXUSDHU-VSQXVHSFSA-N -1 0 322.430 3.965 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(N3CCCC3)nc2)s1 ZINC001589492313 987063351 /nfs/dbraw/zinc/06/33/51/987063351.db2.gz SKKWSNHSDWJSGY-LLVKDONJSA-N -1 0 302.399 3.598 20 0 DHADRM CC/C(=C\C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001594690887 987085175 /nfs/dbraw/zinc/08/51/75/987085175.db2.gz LEWIXQLFNIGLDR-UKYUDJEDSA-N -1 0 317.429 3.794 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1 ZINC001589508890 987131346 /nfs/dbraw/zinc/13/13/46/987131346.db2.gz NPJKSHHNLHTQAP-STQMWFEESA-N -1 0 324.380 3.983 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC001589509197 987131473 /nfs/dbraw/zinc/13/14/73/987131473.db2.gz ONAAFOKPMWJQFR-CHWSQXEVSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC3(CCC3)C[C@@H]2C)cc1 ZINC001589510774 987136650 /nfs/dbraw/zinc/13/66/50/987136650.db2.gz WBHIOPXXVRHAIK-STQMWFEESA-N -1 0 316.401 3.671 20 0 DHADRM CCC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2C)cc1 ZINC001594710560 987170485 /nfs/dbraw/zinc/17/04/85/987170485.db2.gz PCAXUGQASNMYAP-KRWDZBQOSA-N -1 0 312.369 3.581 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1 ZINC001589522595 987179862 /nfs/dbraw/zinc/17/98/62/987179862.db2.gz LRCMOGKERYIGIF-QIZIZJAASA-N -1 0 323.392 3.863 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(Cl)nc2)c1 ZINC001589532218 987211457 /nfs/dbraw/zinc/21/14/57/987211457.db2.gz CLAJNOCXECUVHN-SECBINFHSA-N -1 0 319.748 3.567 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCC(F)(F)F)c1 ZINC001589532430 987214167 /nfs/dbraw/zinc/21/41/67/987214167.db2.gz DMMJOBIJVLBPQQ-SECBINFHSA-N -1 0 303.280 3.546 20 0 DHADRM CC[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729058 987239069 /nfs/dbraw/zinc/23/90/69/987239069.db2.gz DCAJFXSXAAMDRE-MYBQVCMBSA-N -1 0 323.477 3.942 20 0 DHADRM CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594729159 987239882 /nfs/dbraw/zinc/23/98/82/987239882.db2.gz NMNJADHFQWPLOW-GWIURDQASA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](C(=O)N1CCCCC[C@H]1C(=O)[O-])C1CCC(C)CC1 ZINC001594729704 987245234 /nfs/dbraw/zinc/24/52/34/987245234.db2.gz LDISOSVKIQAHAD-FJBKBRRZSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001589542376 987253262 /nfs/dbraw/zinc/25/32/62/987253262.db2.gz AIRQCJUEJOPULP-NHYWBVRUSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccc1 ZINC001594734723 987263956 /nfs/dbraw/zinc/26/39/56/987263956.db2.gz APYOWOQHWRKDSE-ZDUSSCGKSA-N -1 0 315.344 3.965 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)C1CCC(C)CC1 ZINC001594735634 987270474 /nfs/dbraw/zinc/27/04/74/987270474.db2.gz OFGCLHMIGXBJQU-UXUKBGGZSA-N -1 0 318.417 3.879 20 0 DHADRM C[C@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccs1 ZINC001589553304 987290085 /nfs/dbraw/zinc/29/00/85/987290085.db2.gz NNTITLLMPXGVEP-NSHDSACASA-N -1 0 318.394 3.819 20 0 DHADRM C[C@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589553598 987291651 /nfs/dbraw/zinc/29/16/51/987291651.db2.gz OSBKSDMBBKRZCB-JTQLQIEISA-N -1 0 304.729 3.747 20 0 DHADRM CCSCc1ccccc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC001597265355 987295863 /nfs/dbraw/zinc/29/58/63/987295863.db2.gz QTTHPZWMENKOLA-UHFFFAOYSA-N -1 0 323.458 3.513 20 0 DHADRM CCSCc1ccccc1C(=O)OCc1ccoc1C(=O)[O-] ZINC001597266837 987298519 /nfs/dbraw/zinc/29/85/19/987298519.db2.gz BOUGFSDJTQDQLB-UHFFFAOYSA-N -1 0 320.366 3.588 20 0 DHADRM CCSc1ccc(C(=O)Nc2c(C)csc2C(=O)[O-])cn1 ZINC001597271150 987317852 /nfs/dbraw/zinc/31/78/52/987317852.db2.gz WRJJMPIFMSRZTJ-UHFFFAOYSA-N -1 0 322.411 3.514 20 0 DHADRM CCSc1cccc(NC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC001597277528 987336250 /nfs/dbraw/zinc/33/62/50/987336250.db2.gz UFXWJYDCRICLLO-WCQYABFASA-N -1 0 322.430 3.564 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001597286060 987364409 /nfs/dbraw/zinc/36/44/09/987364409.db2.gz JJZHHZYWFZOPRI-OAHLLOKOSA-N -1 0 316.332 3.797 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001597288284 987368779 /nfs/dbraw/zinc/36/87/79/987368779.db2.gz ARKDNEXEYNXCOC-LLVKDONJSA-N -1 0 322.361 3.858 20 0 DHADRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1F ZINC001597291551 987378581 /nfs/dbraw/zinc/37/85/81/987378581.db2.gz LKKOCVVPKSZBCT-BXKDBHETSA-N -1 0 308.378 3.782 20 0 DHADRM CC(C)(C)c1cccc(OCC(=O)C(C)(C)C(=O)[O-])c1Cl ZINC001589588807 987387165 /nfs/dbraw/zinc/38/71/65/987387165.db2.gz KHWMHBCRSOUOHS-UHFFFAOYSA-N -1 0 312.793 3.696 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001597355367 987501776 /nfs/dbraw/zinc/50/17/76/987501776.db2.gz CMTQXIFMTKXNIS-DYEKYZERSA-N -1 0 310.777 3.835 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCCC23CCC3)cc1 ZINC001589636234 987551662 /nfs/dbraw/zinc/55/16/62/987551662.db2.gz JBSUXBACCHIMIS-UHFFFAOYSA-N -1 0 316.401 3.599 20 0 DHADRM CCc1[nH]c(C(=O)Oc2ccccc2C(C)C)c(C)c1C(=O)[O-] ZINC001597380259 987571322 /nfs/dbraw/zinc/57/13/22/987571322.db2.gz CGOHOMCCZZXOHO-UHFFFAOYSA-N -1 0 315.369 3.926 20 0 DHADRM CCc1[nH]c(CNc2cccc(-c3ccon3)c2)cc1C(=O)[O-] ZINC001597398182 987650057 /nfs/dbraw/zinc/65/00/57/987650057.db2.gz FEPUPKPWRULCFW-UHFFFAOYSA-N -1 0 311.341 3.542 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001597406191 987680017 /nfs/dbraw/zinc/68/00/17/987680017.db2.gz MYPWCFKMZGRCLJ-CQSZACIVSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001597406497 987684011 /nfs/dbraw/zinc/68/40/11/987684011.db2.gz RVDFHIQMBFJQNK-CYBMUJFWSA-N -1 0 317.385 3.614 20 0 DHADRM CC(C)(C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589681789 987714963 /nfs/dbraw/zinc/71/49/63/987714963.db2.gz FQFGSTXNAZOANO-UHFFFAOYSA-N -1 0 320.291 3.546 20 0 DHADRM Cc1cnc(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c([O-])c1 ZINC000341412410 1015332053 /nfs/dbraw/zinc/33/20/53/1015332053.db2.gz ZPMZUXWLDNTMDT-UHFFFAOYSA-N -1 0 319.364 3.718 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001597440198 987798393 /nfs/dbraw/zinc/79/83/93/987798393.db2.gz AQHALYDTKNIIQU-SNVBAGLBSA-N -1 0 307.415 3.918 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(C)cnc2Cl)s1 ZINC001597442542 987806454 /nfs/dbraw/zinc/80/64/54/987806454.db2.gz DAZZVQXERAKWQL-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC001597456894 987866573 /nfs/dbraw/zinc/86/65/73/987866573.db2.gz DDFSFOQQZJVEGR-OAHLLOKOSA-N -1 0 316.401 3.792 20 0 DHADRM CC(C)(C)[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001589722291 987888143 /nfs/dbraw/zinc/88/81/43/987888143.db2.gz BPCNAJJYRGFAPS-LBPRGKRZSA-N -1 0 308.378 3.603 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)nc1C ZINC001597463375 987891873 /nfs/dbraw/zinc/89/18/73/987891873.db2.gz BSWYOVQQKDZGJX-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])C1 ZINC001589726845 987915585 /nfs/dbraw/zinc/91/55/85/987915585.db2.gz PTDNXXSEECTWRV-UHFFFAOYSA-N -1 0 311.328 3.674 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001589726985 987918361 /nfs/dbraw/zinc/91/83/61/987918361.db2.gz VCFCKXCSOZIFOP-DLDKDUQYSA-N -1 0 321.461 3.909 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589727900 987924612 /nfs/dbraw/zinc/92/46/12/987924612.db2.gz BPEHKRLFVMZECF-KGLIPLIRSA-N -1 0 304.390 3.721 20 0 DHADRM CCc1cc(C)c(OC(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC001597471368 987932843 /nfs/dbraw/zinc/93/28/43/987932843.db2.gz FUTLHUNCZFIRFE-UHFFFAOYSA-N -1 0 312.365 3.712 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589728894 987938416 /nfs/dbraw/zinc/93/84/16/987938416.db2.gz QKYXUTRMRRRFSE-CHWSQXEVSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001589732111 987955338 /nfs/dbraw/zinc/95/53/38/987955338.db2.gz FTYCZPJUCNJCFE-ZDUSSCGKSA-N -1 0 321.392 3.812 20 0 DHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)C[C@@H](C)CC(=O)[O-] ZINC001597478716 987965005 /nfs/dbraw/zinc/96/50/05/987965005.db2.gz SXRNVJKCFPMXQF-QMMMGPOBSA-N -1 0 319.184 3.962 20 0 DHADRM CCc1cc(SCc2cc(C(=O)[O-])no2)c(C)cc1OC ZINC001597488799 988002396 /nfs/dbraw/zinc/00/23/96/988002396.db2.gz MXYMOMGJHJBWBG-UHFFFAOYSA-N -1 0 307.371 3.545 20 0 DHADRM CCc1cc(SCc2oncc2C(=O)[O-])c(C)cc1OC ZINC001597489098 988006485 /nfs/dbraw/zinc/00/64/85/988006485.db2.gz YHVFYEBXAVAQCJ-UHFFFAOYSA-N -1 0 307.371 3.545 20 0 DHADRM CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589740737 988010541 /nfs/dbraw/zinc/01/05/41/988010541.db2.gz FHJRNXFSVNPART-GOEBONIOSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1ccc(-c2noc(/C=C/c3ccc(C(=O)[O-])o3)n2)cc1 ZINC001597491710 988019030 /nfs/dbraw/zinc/01/90/30/988019030.db2.gz IJXSLIHOKZWYLJ-CSKARUKUSA-N -1 0 310.309 3.761 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])s1 ZINC001597502839 988067965 /nfs/dbraw/zinc/06/79/65/988067965.db2.gz HSBSNPZCKLYRSW-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)c2cccs2)c1 ZINC001597503276 988071306 /nfs/dbraw/zinc/07/13/06/988071306.db2.gz NXTYJPIQKPEPMC-JTQLQIEISA-N -1 0 304.367 3.718 20 0 DHADRM CC(C)(C)C[C@H](Nc1nccc(Oc2ccccc2)n1)C(=O)[O-] ZINC001589757384 988074145 /nfs/dbraw/zinc/07/41/45/988074145.db2.gz WCDABOCXNVKUEC-ZDUSSCGKSA-N -1 0 315.373 3.570 20 0 DHADRM CC(C)(C)C[C@H](Sc1ccc(-c2ccco2)nn1)C(=O)[O-] ZINC001589761698 988090393 /nfs/dbraw/zinc/09/03/93/988090393.db2.gz GNKJDJCIGDOXAW-LBPRGKRZSA-N -1 0 306.387 3.718 20 0 DHADRM CSCCCCCCC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599797124 988114807 /nfs/dbraw/zinc/11/48/07/988114807.db2.gz BWUJWNKCPMJYCR-NSHDSACASA-N -1 0 314.403 3.896 20 0 DHADRM CC(C)(C)CCCCC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001589771782 988123906 /nfs/dbraw/zinc/12/39/06/988123906.db2.gz HFFKPMADLHMSOO-HNNXBMFYSA-N -1 0 317.429 3.883 20 0 DHADRM CCOc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474445081 1015366638 /nfs/dbraw/zinc/36/66/38/1015366638.db2.gz KKATUXMXHCFFNL-UHFFFAOYSA-N -1 0 309.724 3.836 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001589784643 988167717 /nfs/dbraw/zinc/16/77/17/988167717.db2.gz ZOOWSGHAICXBKW-UONOGXRCSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001589788989 988174005 /nfs/dbraw/zinc/17/40/05/988174005.db2.gz LPIKKGGYCPDIEA-XJKSGUPXSA-N -1 0 317.429 3.648 20 0 DHADRM CCc1ccc(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001597530054 988179031 /nfs/dbraw/zinc/17/90/31/988179031.db2.gz BQFSHLLUQFSBOG-XOBRGWDASA-N -1 0 324.424 3.611 20 0 DHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597530280 988182868 /nfs/dbraw/zinc/18/28/68/988182868.db2.gz UPQXBYHQJWGMOJ-AWEZNQCLSA-N -1 0 309.818 3.879 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597530596 988186624 /nfs/dbraw/zinc/18/66/24/988186624.db2.gz GXDGUWNXGKTQPK-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589795221 988188667 /nfs/dbraw/zinc/18/86/67/988188667.db2.gz CFBMJPUWVBOWIF-ZIAGYGMSSA-N -1 0 323.458 3.766 20 0 DHADRM CCc1ccc(N(CC)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597533265 988195735 /nfs/dbraw/zinc/19/57/35/988195735.db2.gz MMWRWNNPWBIWKQ-UHFFFAOYSA-N -1 0 301.342 3.515 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(C(=O)[O-])c1 ZINC001597543077 988237903 /nfs/dbraw/zinc/23/79/03/988237903.db2.gz RMIHDKWRWMBFBL-JBBXEZCESA-N -1 0 323.392 3.935 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1 ZINC001597543168 988238617 /nfs/dbraw/zinc/23/86/17/988238617.db2.gz VUYRRAIQHARORY-BTTYYORXSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001597575586 988360507 /nfs/dbraw/zinc/36/05/07/988360507.db2.gz AONJLMYASAYNBJ-YRGRVCCFSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1cccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001597576802 988369394 /nfs/dbraw/zinc/36/93/94/988369394.db2.gz UTQNNBMKEAEUKU-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CSc1ccc(CCNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599812963 988369871 /nfs/dbraw/zinc/36/98/71/988369871.db2.gz PXIQLPFHJITUNZ-UHFFFAOYSA-N -1 0 322.817 3.810 20 0 DHADRM CSc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599813186 988373786 /nfs/dbraw/zinc/37/37/86/988373786.db2.gz UMJBEVDQAVEIIU-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CSc1ccc(CCC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001599813351 988377521 /nfs/dbraw/zinc/37/75/21/988377521.db2.gz ZAEIYKPJZWURSY-UHFFFAOYSA-N -1 0 316.378 3.645 20 0 DHADRM CCc1cccc(CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001597581118 988385645 /nfs/dbraw/zinc/38/56/45/988385645.db2.gz OADXABNVDRRAFI-UHFFFAOYSA-N -1 0 322.364 3.610 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC001599814541 988398352 /nfs/dbraw/zinc/39/83/52/988398352.db2.gz OTWMOQXXVCJZMZ-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CCc1cccc(F)c1CNc1cc(COC)cc(C(=O)[O-])c1 ZINC001597593352 988428433 /nfs/dbraw/zinc/42/84/33/988428433.db2.gz SOFZKVMJMSYZJR-UHFFFAOYSA-N -1 0 317.360 3.845 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001599817090 988445788 /nfs/dbraw/zinc/44/57/88/988445788.db2.gz QMMJDBUYPLLKKE-HBNTYKKESA-N -1 0 322.430 3.615 20 0 DHADRM CSc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001599818097 988462621 /nfs/dbraw/zinc/46/26/21/988462621.db2.gz NAOZEJCOLINGMO-AWEZNQCLSA-N -1 0 322.430 3.564 20 0 DHADRM CSc1ccc(NC(=O)N[C@H](C(C)C)C2CC2)cc1C(=O)[O-] ZINC001599818319 988466417 /nfs/dbraw/zinc/46/64/17/988466417.db2.gz QRZMDBWFKOKMOU-CQSZACIVSA-N -1 0 322.430 3.663 20 0 DHADRM CCc1ccccc1-c1noc(Cc2ccccc2C(=O)[O-])n1 ZINC001597603525 988467973 /nfs/dbraw/zinc/46/79/73/988467973.db2.gz HGAVRTZNJQDUSD-UHFFFAOYSA-N -1 0 308.337 3.588 20 0 DHADRM CCc1ccccc1C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001597604920 988485767 /nfs/dbraw/zinc/48/57/67/988485767.db2.gz ZTBZQESYIHVPSI-UHFFFAOYSA-N -1 0 323.392 3.849 20 0 DHADRM CCc1ccccc1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597608784 988485810 /nfs/dbraw/zinc/48/58/10/988485810.db2.gz CTDIYJKOQOSFEI-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CCc1ccccc1CCSCc1nc(C(=O)[O-])cs1 ZINC001597609530 988496913 /nfs/dbraw/zinc/49/69/13/988496913.db2.gz QFOYBTGRYWVNLB-UHFFFAOYSA-N -1 0 307.440 3.880 20 0 DHADRM CSc1ccc(NCc2ncc(Cl)s2)cc1C(=O)[O-] ZINC001599820944 988511834 /nfs/dbraw/zinc/51/18/34/988511834.db2.gz QLKAPUIVSCGDCE-UHFFFAOYSA-N -1 0 314.819 3.829 20 0 DHADRM CSc1cccc(N(C)[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599822845 988544102 /nfs/dbraw/zinc/54/41/02/988544102.db2.gz YSUYNALVVYEAGO-VIFPVBQESA-N -1 0 308.428 3.761 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001597621119 988545038 /nfs/dbraw/zinc/54/50/38/988545038.db2.gz DWNBUKBFZSSYRH-DLBZAZTESA-N -1 0 323.392 3.998 20 0 DHADRM CSc1ccccc1COc1cnc(Cl)cc1C(=O)[O-] ZINC001599823817 988561068 /nfs/dbraw/zinc/56/10/68/988561068.db2.gz FYIVBOZUYKZVJS-UHFFFAOYSA-N -1 0 309.774 3.734 20 0 DHADRM CCc1ccnc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001597622800 988564963 /nfs/dbraw/zinc/56/49/63/988564963.db2.gz FCBLEZRNPCAEPN-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM CCc1ccsc1C(=O)Nc1c(CC)cccc1C(=O)[O-] ZINC001597626460 988578048 /nfs/dbraw/zinc/57/80/48/988578048.db2.gz RKIUERYUWWVPQD-UHFFFAOYSA-N -1 0 303.383 3.823 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000013166501 1015401252 /nfs/dbraw/zinc/40/12/52/1015401252.db2.gz KUSGUYRLCWXYDO-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM CSc1ccccc1[C@@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599826775 988609179 /nfs/dbraw/zinc/60/91/79/988609179.db2.gz YZAFKWYMQNHWIZ-JHJVBQTASA-N -1 0 322.426 3.904 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001599830805 988671558 /nfs/dbraw/zinc/67/15/58/988671558.db2.gz FUDPFYSWPKDJDI-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CCc1nc(C(C)C)ccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001597652250 988698235 /nfs/dbraw/zinc/69/82/35/988698235.db2.gz NJYSIZMKUUTMLQ-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM CCc1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])cs2)cs1 ZINC001597655728 988704701 /nfs/dbraw/zinc/70/47/01/988704701.db2.gz DKBMPVYPTFEOOW-BDAKNGLRSA-N -1 0 310.444 3.877 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597656643 988711854 /nfs/dbraw/zinc/71/18/54/988711854.db2.gz BGJPVYMUEVGVAE-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001599834035 988716285 /nfs/dbraw/zinc/71/62/85/988716285.db2.gz XXQCHEUSMGEZIH-WHGOUJPWSA-N -1 0 317.168 3.503 20 0 DHADRM C[C@@](CC(=O)Nc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000013250135 1015415474 /nfs/dbraw/zinc/41/54/74/1015415474.db2.gz MONZEJLYNAHTKM-KRWDZBQOSA-N -1 0 317.772 3.711 20 0 DHADRM CCc1nc(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)sc1C(=O)[O-] ZINC001597676288 988789927 /nfs/dbraw/zinc/78/99/27/988789927.db2.gz RYTOYVYHLILFHR-IUCAKERBSA-N -1 0 312.435 3.661 20 0 DHADRM CSc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013253269 1015425087 /nfs/dbraw/zinc/42/50/87/1015425087.db2.gz UTSCTIYJCFMZNL-UHFFFAOYSA-N -1 0 307.415 3.772 20 0 DHADRM CCc1nc(SCc2ccccc2CC(=O)[O-])sc1C ZINC001597690891 988877325 /nfs/dbraw/zinc/87/73/25/988877325.db2.gz XZEAQRBJORTTGP-UHFFFAOYSA-N -1 0 307.440 3.933 20 0 DHADRM C[C@@H](OC(=O)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001599846557 988942411 /nfs/dbraw/zinc/94/24/11/988942411.db2.gz QLGJTIPLSHVKMH-SECBINFHSA-N -1 0 304.264 3.565 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001599847700 988960854 /nfs/dbraw/zinc/96/08/54/988960854.db2.gz YICFYMXVCKMVMG-PIGZYNQJSA-N -1 0 319.405 3.506 20 0 DHADRM CCc1nnc(CNc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC001597730864 989051173 /nfs/dbraw/zinc/05/11/73/989051173.db2.gz RXQJELJQNSDZKW-UHFFFAOYSA-N -1 0 319.411 3.626 20 0 DHADRM CCc1oc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1C ZINC001597761673 989191062 /nfs/dbraw/zinc/19/10/62/989191062.db2.gz QYBIDOBAXBGVMO-UHFFFAOYSA-N -1 0 307.733 3.754 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000581886390 1015455820 /nfs/dbraw/zinc/45/58/20/1015455820.db2.gz BQUZIALKPAPYLL-CYBMUJFWSA-N -1 0 311.381 3.662 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1ncc(C)s1)C1CC1 ZINC001597767474 989222293 /nfs/dbraw/zinc/22/22/93/989222293.db2.gz OYJFUCCABTYMAU-CQSZACIVSA-N -1 0 320.414 3.546 20 0 DHADRM CCc1oc(CN2C[C@H](C)Oc3cc(C)ccc32)cc1C(=O)[O-] ZINC001597797321 989360318 /nfs/dbraw/zinc/36/03/18/989360318.db2.gz XKGCXSLVSVYXFD-LBPRGKRZSA-N -1 0 315.369 3.636 20 0 DHADRM CCc1oc(CNc2ccnn2C2CCCCC2)cc1C(=O)[O-] ZINC001597804487 989406639 /nfs/dbraw/zinc/40/66/39/989406639.db2.gz DIKJAICPZRUNMX-UHFFFAOYSA-N -1 0 317.389 3.854 20 0 DHADRM CCc1sc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1C ZINC001597820074 989459154 /nfs/dbraw/zinc/45/91/54/989459154.db2.gz KDDJPTHYIBHOJD-SECBINFHSA-N -1 0 308.355 3.828 20 0 DHADRM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000054211335 1015478252 /nfs/dbraw/zinc/47/82/52/1015478252.db2.gz SJBYACBSZGLREV-MRXNPFEDSA-N -1 0 301.773 3.927 20 0 DHADRM CCc1occc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001597824743 989478679 /nfs/dbraw/zinc/47/86/79/989478679.db2.gz PQNKXSBBDDXSNG-UHFFFAOYSA-N -1 0 309.321 3.946 20 0 DHADRM CCn1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC001597839697 989531643 /nfs/dbraw/zinc/53/16/43/989531643.db2.gz HJICKPIKMZTDRQ-QGZVFWFLSA-N -1 0 323.348 3.644 20 0 DHADRM CCn1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1C ZINC001597902394 989777410 /nfs/dbraw/zinc/77/74/10/989777410.db2.gz KOGNJZRCHSZOFN-UHFFFAOYSA-N -1 0 324.739 3.559 20 0 DHADRM CC(C)(C)O[C@@H]1C[C@H](Nc2cccc(CC(=O)[O-])c2)C1(C)C ZINC001590379595 989890596 /nfs/dbraw/zinc/89/05/96/989890596.db2.gz VSPVPPFCQSQXRJ-LSDHHAIUSA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)(C)OCCCCSCc1nc(C(=O)[O-])cs1 ZINC001590382116 989897831 /nfs/dbraw/zinc/89/78/31/989897831.db2.gz LHRDLLHOCGVWDO-UHFFFAOYSA-N -1 0 303.449 3.670 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)NCCCCCC(=O)[O-])c1 ZINC001590420408 989963754 /nfs/dbraw/zinc/96/37/54/989963754.db2.gz TTYXBKACKGTRTC-UHFFFAOYSA-N -1 0 322.405 3.630 20 0 DHADRM CC(C)(C)c1ccc(CSCc2cnc(C(=O)[O-])cn2)cc1 ZINC001590487561 990089248 /nfs/dbraw/zinc/08/92/48/990089248.db2.gz QHCSSOXHWSKEGG-UHFFFAOYSA-N -1 0 316.426 3.906 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC001590494243 990100671 /nfs/dbraw/zinc/10/06/71/990100671.db2.gz SBUQNSAUYDCRHN-NWDGAFQWSA-N -1 0 319.401 3.519 20 0 DHADRM CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1(C(=O)[O-])CCCC1 ZINC001597997033 990108885 /nfs/dbraw/zinc/10/88/85/990108885.db2.gz IDXGBCAVYSBSJZ-UHFFFAOYSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001590499615 990113189 /nfs/dbraw/zinc/11/31/89/990113189.db2.gz YXSDTIUEPDBZDB-UHFFFAOYSA-N -1 0 323.392 3.885 20 0 DHADRM CC(C)(C)c1cnc(CNc2c(F)cc(C(=O)[O-])cc2F)o1 ZINC001590515720 990129751 /nfs/dbraw/zinc/12/97/51/990129751.db2.gz CLEJSXIXHGKHCZ-UHFFFAOYSA-N -1 0 310.300 3.561 20 0 DHADRM CC(C)(C)c1cnc(CNc2cc(F)cc(C(=O)[O-])c2F)o1 ZINC001590515911 990132978 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CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000098073541 1015575197 /nfs/dbraw/zinc/57/51/97/1015575197.db2.gz CUUDYSRXBUCSMC-UHFFFAOYSA-N -1 0 319.426 3.782 20 0 DHADRM CC(C)(NCc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001590874867 990785995 /nfs/dbraw/zinc/78/59/95/990785995.db2.gz MRYRCULVBXCWFF-UHFFFAOYSA-N -1 0 310.806 3.520 20 0 DHADRM CC(C)=C(C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001590913009 990893988 /nfs/dbraw/zinc/89/39/88/990893988.db2.gz UKKMUNUDTFRBGS-UHFFFAOYSA-N -1 0 302.157 3.986 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1(C)C ZINC001590914200 990895898 /nfs/dbraw/zinc/89/58/98/990895898.db2.gz BUZLIGZTKBYPDQ-LSDHHAIUSA-N -1 0 323.477 3.820 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2sc(C)cc2C(=O)[O-])C1(C)C ZINC001590915026 990901043 /nfs/dbraw/zinc/90/10/43/990901043.db2.gz NTVYSGXQTONBPM-NEPJUHHUSA-N -1 0 307.415 3.932 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2scc(C)c2C(=O)[O-])C1(C)C ZINC001590915284 990902836 /nfs/dbraw/zinc/90/28/36/990902836.db2.gz RKNWBTLLVGBIHD-JQWIXIFHSA-N -1 0 307.415 3.932 20 0 DHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001126563977 1015601020 /nfs/dbraw/zinc/60/10/20/1015601020.db2.gz CECBCVDAYUHKSQ-LBPRGKRZSA-N -1 0 319.788 3.551 20 0 DHADRM CC(C)C(=O)Nc1cccc(OCc2csc(C(=O)[O-])c2)c1 ZINC001590948826 991000398 /nfs/dbraw/zinc/00/03/98/991000398.db2.gz RDVKTWUVRIIOQW-UHFFFAOYSA-N -1 0 319.382 3.620 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001590969823 991097882 /nfs/dbraw/zinc/09/78/82/991097882.db2.gz IEGFKXSGKMXOPF-SNVBAGLBSA-N -1 0 309.431 3.946 20 0 DHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCCC1(C)C ZINC001598293848 991212266 /nfs/dbraw/zinc/21/22/66/991212266.db2.gz SCOMCKAXUWXHDV-CYBMUJFWSA-N -1 0 318.417 3.606 20 0 DHADRM CN(C)c1cc(NCc2ccc(C(=O)[O-])c(F)c2)ccc1Cl ZINC001598307633 991274960 /nfs/dbraw/zinc/27/49/60/991274960.db2.gz CCWUVRCQUDIAEN-UHFFFAOYSA-N -1 0 322.767 3.855 20 0 DHADRM CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591015135 991296727 /nfs/dbraw/zinc/29/67/27/991296727.db2.gz YUDSJCOMOPPODT-GZBFAFLISA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001591061093 991496844 /nfs/dbraw/zinc/49/68/44/991496844.db2.gz CZVLTCPYOUPCKT-KDOFPFPSSA-N -1 0 312.369 3.554 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001591081457 991593713 /nfs/dbraw/zinc/59/37/13/991593713.db2.gz ZUVZHHWFALOLFP-HTQZYQBOSA-N -1 0 316.184 3.922 20 0 DHADRM CC(C)[C@H]1CCCCCN1C(=O)NCCCCCCC(=O)[O-] ZINC001591088990 991628052 /nfs/dbraw/zinc/62/80/52/991628052.db2.gz OFVOQDZSNKXRMM-OAHLLOKOSA-N -1 0 312.454 3.632 20 0 DHADRM CC(C)[C@H]1N(C(=O)Nc2cccc(F)c2C(=O)[O-])CC12CCC2 ZINC001591099840 991716176 /nfs/dbraw/zinc/71/61/76/991716176.db2.gz QQCJCIMKZRTSAU-CQSZACIVSA-N -1 0 320.364 3.566 20 0 DHADRM CC(C)C[C@@H](C(=O)N(CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118621 991784627 /nfs/dbraw/zinc/78/46/27/991784627.db2.gz WHBMGQQBRIQUHB-OAHLLOKOSA-N -1 0 323.820 3.545 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591131753 991829434 /nfs/dbraw/zinc/82/94/34/991829434.db2.gz YOFJFUWRLDCVJB-CQSZACIVSA-N -1 0 305.418 3.561 20 0 DHADRM CC(C)C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)[O-] ZINC001591191067 991998830 /nfs/dbraw/zinc/99/88/30/991998830.db2.gz MHWLRMZEBWHBGT-CQSZACIVSA-N -1 0 304.415 3.679 20 0 DHADRM CC(C)C[C@]1(C)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591191932 992005847 /nfs/dbraw/zinc/00/58/47/992005847.db2.gz IVKQMYOQNPZJJM-KRWDZBQOSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2ccsc2C(=O)[O-])CC1 ZINC001591197296 992017269 /nfs/dbraw/zinc/01/72/69/992017269.db2.gz YXCSTAYBTFPVOY-UHFFFAOYSA-N -1 0 309.431 3.735 20 0 DHADRM C[C@@H](OCC(F)(F)F)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000896606480 1015677645 /nfs/dbraw/zinc/67/76/45/1015677645.db2.gz LMXBCVSHCKZIQA-ZCFIWIBFSA-N -1 0 322.670 3.736 20 0 DHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001591227172 992098554 /nfs/dbraw/zinc/09/85/54/992098554.db2.gz DSIYMMJFKDQXPV-TZMCWYRMSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591229163 992109913 /nfs/dbraw/zinc/10/99/13/992109913.db2.gz NDYODBOTUNNWNA-UHFFFAOYSA-N -1 0 301.745 3.942 20 0 DHADRM CC(C)CCCCCCNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591236361 992116591 /nfs/dbraw/zinc/11/65/91/992116591.db2.gz FSCOVDPHOAAQSA-CMDGGOBGSA-N -1 0 307.390 3.714 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001591245522 992137602 /nfs/dbraw/zinc/13/76/02/992137602.db2.gz UNUCGGPFJQWTOX-UHFFFAOYSA-N -1 0 323.477 3.942 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591269548 992185463 /nfs/dbraw/zinc/18/54/63/992185463.db2.gz GDVUUQOYUOZLDR-LSDHHAIUSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001591269821 992186929 /nfs/dbraw/zinc/18/69/29/992186929.db2.gz IJMRMQWPUJGRRL-UHFFFAOYSA-N -1 0 315.369 3.748 20 0 DHADRM CC(C)CN(C(=O)NCC1(CC(=O)[O-])CCCC1)C1CCCC1 ZINC001591280550 992210288 /nfs/dbraw/zinc/21/02/88/992210288.db2.gz NAAVBTOFBRCDEL-UHFFFAOYSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)C(C)(C)C(=O)[O-] ZINC001591281124 992211942 /nfs/dbraw/zinc/21/19/42/992211942.db2.gz HHJHPHDKXLLOMY-ZIAGYGMSSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])[nH]1)c1cccc(Cl)c1 ZINC001591285550 992225423 /nfs/dbraw/zinc/22/54/23/992225423.db2.gz XJBLQICSBRDHKB-UHFFFAOYSA-N -1 0 320.776 3.669 20 0 DHADRM CC(C)CN(CC(=O)[O-])C(=O)c1csc(C2CCCCC2)c1 ZINC001591304754 992255594 /nfs/dbraw/zinc/25/55/94/992255594.db2.gz HQJQBKWFQNZROE-UHFFFAOYSA-N -1 0 323.458 3.979 20 0 DHADRM COc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000022726969 1015708659 /nfs/dbraw/zinc/70/86/59/1015708659.db2.gz FWTDBLHUKWXAQM-RQZCQDPDSA-N -1 0 320.732 3.582 20 0 DHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2ccc(F)cc2)c1[O-] ZINC000022727213 1015708695 /nfs/dbraw/zinc/70/86/95/1015708695.db2.gz HECOOFNPYCOSKZ-GIJQJNRQSA-N -1 0 322.723 3.755 20 0 DHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccc(F)cc2)c1[O-] ZINC000022727359 1015709666 /nfs/dbraw/zinc/70/96/66/1015709666.db2.gz SZQKNXFFYDXPRH-CAOOACKPSA-N -1 0 308.696 3.712 20 0 DHADRM CC(C)CON(Cc1cccc(C(=O)[O-])n1)CC1CCCCC1 ZINC001591397319 992468209 /nfs/dbraw/zinc/46/82/09/992468209.db2.gz VTFSMFVHHCWMCM-UHFFFAOYSA-N -1 0 320.433 3.750 20 0 DHADRM CN(Cc1cc(C(=O)[O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC001598507371 992523810 /nfs/dbraw/zinc/52/38/10/992523810.db2.gz OQOLEVRJLQURSK-UHFFFAOYSA-N -1 0 311.715 3.953 20 0 DHADRM CC(C)C[C@H](Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1)C(=O)[O-] ZINC001591471714 992586241 /nfs/dbraw/zinc/58/62/41/992586241.db2.gz JCNHKACPODUVQM-LBPRGKRZSA-N -1 0 321.465 3.983 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591477015 992596058 /nfs/dbraw/zinc/59/60/58/992596058.db2.gz DWFWDMFLPPFRPA-OAHLLOKOSA-N -1 0 305.418 3.504 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)s1 ZINC001591477665 992598958 /nfs/dbraw/zinc/59/89/58/992598958.db2.gz USHXTIJWQOENAR-UHFFFAOYSA-N -1 0 323.458 3.712 20 0 DHADRM CC(C)Cc1ncc(CN2CCc3cc(C(=O)[O-])ccc32)s1 ZINC001591497287 992632747 /nfs/dbraw/zinc/63/27/47/992632747.db2.gz YGXUSURMGULQCV-UHFFFAOYSA-N -1 0 316.426 3.603 20 0 DHADRM CN(Cc1ccc2cc[nH]c2c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598524554 992703268 /nfs/dbraw/zinc/70/32/68/992703268.db2.gz IGBOZHFWBSLEMP-UHFFFAOYSA-N -1 0 321.789 3.612 20 0 DHADRM CC(C)N(C(=O)c1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC001591542321 992721725 /nfs/dbraw/zinc/72/17/25/992721725.db2.gz GJWCGHCSQLBERW-UHFFFAOYSA-N -1 0 315.344 3.508 20 0 DHADRM CC(C)N(Cc1ccccn1)Cc1cccc(C(=O)[O-])c1Cl ZINC001591603452 992834886 /nfs/dbraw/zinc/83/48/86/992834886.db2.gz ARHFPIBFXDOFQZ-UHFFFAOYSA-N -1 0 318.804 3.844 20 0 DHADRM CN(Cc1nccs1)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001598538951 992876195 /nfs/dbraw/zinc/87/61/95/992876195.db2.gz CYQXLSBMVJXBFL-UHFFFAOYSA-N -1 0 317.197 3.785 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000341833859 1015762130 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O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2ccccc2F)c1[O-] ZINC000022770026 1015818761 /nfs/dbraw/zinc/81/87/61/1015818761.db2.gz NDXRPGDFCWLCCF-GIJQJNRQSA-N -1 0 322.723 3.755 20 0 DHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001593142647 993937187 /nfs/dbraw/zinc/93/71/87/993937187.db2.gz XAJHPDALRBUDKL-GRYCIOLGSA-N -1 0 317.410 3.579 20 0 DHADRM C[C@@H](NC1(c2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC001593210947 994257052 /nfs/dbraw/zinc/25/70/52/994257052.db2.gz UXSIBYJFTRVXBK-SECBINFHSA-N -1 0 322.817 3.835 20 0 DHADRM COc1ccc2cc(NCc3cccc(C(=O)[O-])n3)ccc2c1 ZINC001599634199 994263082 /nfs/dbraw/zinc/26/30/82/994263082.db2.gz AGXFAKXWBSZDNN-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM COc1ccc2nc(/C=C/c3cc(C(=O)[O-])n(C)c3)sc2c1 ZINC001599636577 994297487 /nfs/dbraw/zinc/29/74/87/994297487.db2.gz GQLOZGDCPPNNEV-ZZXKWVIFSA-N -1 0 314.366 3.512 20 0 DHADRM C[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ncc(C(=O)[O-])s1 ZINC001593221083 994319882 /nfs/dbraw/zinc/31/98/82/994319882.db2.gz 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C[C@H](O)[C@H](C)S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001593426981 995233681 /nfs/dbraw/zinc/23/36/81/995233681.db2.gz VCKDUYHXZHABKJ-OKTBNZSVSA-N -1 0 309.214 3.622 20 0 DHADRM COC(=O)[C@@H](SCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001598713070 995370755 /nfs/dbraw/zinc/37/07/55/995370755.db2.gz SZUPLAQPHOSURO-HNNXBMFYSA-N -1 0 316.378 3.532 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C)c1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593486085 995450469 /nfs/dbraw/zinc/45/04/69/995450469.db2.gz WLVVNFRYQWUVDU-DTWKUNHWSA-N -1 0 324.279 3.664 20 0 DHADRM C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593513026 995520084 /nfs/dbraw/zinc/52/00/84/995520084.db2.gz CKNARAFFSUHVBP-LLGDCAAFSA-N -1 0 320.728 3.949 20 0 DHADRM C[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593513031 995520321 /nfs/dbraw/zinc/52/03/21/995520321.db2.gz CKNARAFFSUHVBP-ZUYFITGHSA-N -1 0 320.728 3.949 20 0 DHADRM C[C@@H](OC(=O)CCCC1CCCCC1)c1nc(C(=O)[O-])co1 ZINC001593516644 995548867 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C[C@@H](OC(=O)c1cscc1C(F)F)c1ccc(C(=O)[O-])o1 ZINC001593601516 995758682 /nfs/dbraw/zinc/75/86/82/995758682.db2.gz PWTUVBJORMBWQL-ZCFIWIBFSA-N -1 0 316.281 3.895 20 0 DHADRM C[C@H](Oc1ccccc1CN1CC2(CC2)c2ccccc21)C(=O)[O-] ZINC001593644139 995957195 /nfs/dbraw/zinc/95/71/95/995957195.db2.gz DACCLODHAHKYKB-AWEZNQCLSA-N -1 0 323.392 3.590 20 0 DHADRM C[C@H](Oc1ccccc1CNc1cccc2ccn(C)c21)C(=O)[O-] ZINC001593650410 996005477 /nfs/dbraw/zinc/00/54/77/996005477.db2.gz AHCDKLSXXNBDBC-ZDUSSCGKSA-N -1 0 324.380 3.642 20 0 DHADRM C[C@H](S[C@@H]1CCc2ccccc2C1)c1nc(C(=O)[O-])co1 ZINC001593658433 996031807 /nfs/dbraw/zinc/03/18/07/996031807.db2.gz FWAMLLHHRDIRCR-GXFFZTMASA-N -1 0 303.383 3.725 20 0 DHADRM C[C@@H](S[C@@H](C)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001593659566 996035937 /nfs/dbraw/zinc/03/59/37/996035937.db2.gz VAWUPRCGYOOSGJ-DTWKUNHWSA-N -1 0 300.376 3.502 20 0 DHADRM C[C@H](SCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001593663589 996045458 /nfs/dbraw/zinc/04/54/58/996045458.db2.gz 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CC1(CC(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001593998616 997329762 /nfs/dbraw/zinc/32/97/62/997329762.db2.gz WAMPVUVMBODMDX-LBPRGKRZSA-N -1 0 316.275 3.565 20 0 DHADRM COC1CCC(CCNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001599101449 997390908 /nfs/dbraw/zinc/39/09/08/997390908.db2.gz TYLOSIICYKBCMP-UHFFFAOYSA-N -1 0 318.826 3.502 20 0 DHADRM COc1cc(CNc2cccc([C@@H](C)C(=O)[O-])c2)ccc1F ZINC001599418126 997546728 /nfs/dbraw/zinc/54/67/28/997546728.db2.gz DUUAJWAWXRZOSG-LLVKDONJSA-N -1 0 303.333 3.635 20 0 DHADRM COc1cc(CNc2ccc(C)c(C(=O)[O-])c2)c(Cl)cc1O ZINC001599419166 997563755 /nfs/dbraw/zinc/56/37/55/997563755.db2.gz WBUVDVZESJJWTQ-UHFFFAOYSA-N -1 0 321.760 3.673 20 0 DHADRM COc1cc(NC(=O)C[C@@H]2CCCCC2(C)C)ccc1C(=O)[O-] ZINC001599431383 997765598 /nfs/dbraw/zinc/76/55/98/997765598.db2.gz LQBJAGOWYWJPLG-LBPRGKRZSA-N -1 0 319.401 3.938 20 0 DHADRM COC(=O)c1cc(CSc2ccc(C(=O)[O-])cc2)cs1 ZINC001598934991 997848024 /nfs/dbraw/zinc/84/80/24/997848024.db2.gz ZVDLTDMDUKNGHG-UHFFFAOYSA-N -1 0 308.380 3.525 20 0 DHADRM COc1c(NC(=O)c2ccc(C)c(Cl)c2)cccc1C(=O)[O-] ZINC001599341632 997932439 /nfs/dbraw/zinc/93/24/39/997932439.db2.gz FCBQJMVCNQIUEK-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM COc1cc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc2cccnc21 ZINC001599442928 997959940 /nfs/dbraw/zinc/95/99/40/997959940.db2.gz LUSPUCUPSZLBAV-TYNCELHUSA-N -1 0 314.385 3.545 20 0 DHADRM COc1cc(OC(=O)C(C2CCC2)C2CCC2)ccc1C(=O)[O-] ZINC001599445800 998007722 /nfs/dbraw/zinc/00/77/22/998007722.db2.gz IIUHRMZBISINCU-UHFFFAOYSA-N -1 0 318.369 3.515 20 0 DHADRM COc1cc(OC(=O)/C=C\C2CCCCCC2)ccc1C(=O)[O-] ZINC001599446127 998012237 /nfs/dbraw/zinc/01/22/37/998012237.db2.gz TYHIWDYADQFQPC-FLIBITNWSA-N -1 0 318.369 3.825 20 0 DHADRM CCc1nc([C@H](C)NC(=O)c2cc(O)ccc2Cl)cs1 ZINC000277308455 1016177258 /nfs/dbraw/zinc/17/72/58/1016177258.db2.gz BITOHJCBQIUPAH-QMMMGPOBSA-N -1 0 310.806 3.556 20 0 DHADRM COc1cc(OC)cc([C@@H](SCc2ccc(C)o2)C(=O)[O-])c1 ZINC001599451434 998108699 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COC(=O)c1cc2ccccc2cc1SCCCCC(=O)[O-] ZINC001598956992 998260316 /nfs/dbraw/zinc/26/03/16/998260316.db2.gz SDMNUIJAYCATLU-UHFFFAOYSA-N -1 0 318.394 3.973 20 0 DHADRM COc1cc(SC)ccc1NCc1ccc(C(=O)[O-])cc1F ZINC001599461655 998283163 /nfs/dbraw/zinc/28/31/63/998283163.db2.gz YLAHCJQYPLEKIP-UHFFFAOYSA-N -1 0 321.373 3.867 20 0 DHADRM COCCOc1ccc(S[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001599260309 998375102 /nfs/dbraw/zinc/37/51/02/998375102.db2.gz YPNBBSGORAJPMB-INIZCTEOSA-N -1 0 318.394 3.630 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC1CCC(C)(C)CC1 ZINC001599370082 998395862 /nfs/dbraw/zinc/39/58/62/998395862.db2.gz PUAANEIRUNHPQV-UHFFFAOYSA-N -1 0 319.401 3.938 20 0 DHADRM COc1ccc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc1Cl ZINC001599470810 998447869 /nfs/dbraw/zinc/44/78/69/998447869.db2.gz YEXOAPRRDAUAJX-UHFFFAOYSA-N -1 0 316.744 3.601 20 0 DHADRM COc1cc(C(=O)[O-])ccc1N[C@H](C)Cc1ccc(F)cc1 ZINC001599374969 998471900 /nfs/dbraw/zinc/47/19/00/998471900.db2.gz FCCVSZNQGGYCLR-LLVKDONJSA-N -1 0 303.333 3.576 20 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O=C(N[C@H]1CCc2c1cccc2Cl)c1c([O-])cc(F)cc1F ZINC000620976374 1022478942 /nfs/dbraw/zinc/47/89/42/1022478942.db2.gz BSOVXRDCEKNTKN-ZDUSSCGKSA-N -1 0 323.726 3.741 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)CCCCC(=O)[O-])CC2 ZINC000263329685 1022483141 /nfs/dbraw/zinc/48/31/41/1022483141.db2.gz UNDCJFFTMZTDJM-UHFFFAOYSA-N -1 0 317.429 3.514 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000010821637 1022498608 /nfs/dbraw/zinc/49/86/08/1022498608.db2.gz TUYDQDKETLQFQB-MRXNPFEDSA-N -1 0 305.418 3.781 20 0 DHADRM Oc1cccnc1CNc1cnc2ccc(C(F)(F)F)cc2c1 ZINC001169731630 1022525210 /nfs/dbraw/zinc/52/52/10/1022525210.db2.gz DBCKEZZDKQUWQZ-UHFFFAOYSA-N -1 0 319.286 3.966 20 0 DHADRM CC(C)CCc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000621055694 1022541690 /nfs/dbraw/zinc/54/16/90/1022541690.db2.gz MNHPXQPYQXZPDX-IAGOWNOFSA-N -1 0 315.413 3.881 20 0 DHADRM Cc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237830567 1022554762 /nfs/dbraw/zinc/55/47/62/1022554762.db2.gz 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1022642830 /nfs/dbraw/zinc/64/28/30/1022642830.db2.gz DQOSRXLZMFFCDC-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM C/C(=C/C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1Cl ZINC000767185477 1022658815 /nfs/dbraw/zinc/65/88/15/1022658815.db2.gz DWSFVKYZTGCHGB-BENRWUELSA-N -1 0 321.804 3.505 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2cc[nH]c(=O)c2)cc1 ZINC001212280136 1022664043 /nfs/dbraw/zinc/66/40/43/1022664043.db2.gz MHKBEPMAAJWMLI-OAHLLOKOSA-N -1 0 300.358 3.745 20 0 DHADRM O=C(OCCC(Cl)(Cl)Cl)c1cc(-c2ccco2)[nH]n1 ZINC000767474007 1022723065 /nfs/dbraw/zinc/72/30/65/1022723065.db2.gz SHGOKOBLEOKJAV-UHFFFAOYSA-N -1 0 323.563 3.587 20 0 DHADRM CCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000742042430 1022775107 /nfs/dbraw/zinc/77/51/07/1022775107.db2.gz KIFWMRQBECNVHP-UHFFFAOYSA-N -1 0 315.335 3.975 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N(CCC1CC1)CC1CC1 ZINC000856283511 1022786120 /nfs/dbraw/zinc/78/61/20/1022786120.db2.gz CWPDVYVHFQJUSN-UHFFFAOYSA-N -1 0 316.426 3.769 20 0 DHADRM CC[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000184234362 1022788685 /nfs/dbraw/zinc/78/86/85/1022788685.db2.gz RRZUMVWTDPZNAL-QGZVFWFLSA-N -1 0 317.360 3.576 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2sccc2Cl)C(=O)[O-])c1 ZINC000417566238 1022790050 /nfs/dbraw/zinc/79/00/50/1022790050.db2.gz QQDSQOCMFCZNJC-AWEZNQCLSA-N -1 0 309.818 3.934 20 0 DHADRM CCCCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621546255 1022790101 /nfs/dbraw/zinc/79/01/01/1022790101.db2.gz ISTOBCYIFHYTMY-KRWDZBQOSA-N -1 0 317.429 3.674 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000621588250 1022796215 /nfs/dbraw/zinc/79/62/15/1022796215.db2.gz UASQAONOLILZTD-MXASKKJJSA-N -1 0 315.413 3.630 20 0 DHADRM CC(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000621598234 1022797321 /nfs/dbraw/zinc/79/73/21/1022797321.db2.gz ABIQZTLIBWDQHT-GVDBMIGSSA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccc([C@@H](NCc2sccc2Cl)C(=O)[O-])cc1 ZINC000417589086 1022798650 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O=C([O-])CCCCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000263563189 1022918935 /nfs/dbraw/zinc/91/89/35/1022918935.db2.gz DDLKQGNASGKNFH-UHFFFAOYSA-N -1 0 317.307 3.765 20 0 DHADRM CSc1ccccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000781242714 1022935816 /nfs/dbraw/zinc/93/58/16/1022935816.db2.gz CMVZXOOHSOCLEF-UHFFFAOYSA-N -1 0 310.321 3.749 20 0 DHADRM Cc1cc(Nc2ccc3nnc(C(C)(C)C)n3c2)ccc1C(=O)[O-] ZINC001211655198 1022949639 /nfs/dbraw/zinc/94/96/39/1022949639.db2.gz QOGAMALVBLHXHB-UHFFFAOYSA-N -1 0 324.384 3.777 20 0 DHADRM COc1ccc(-c2nc([C@H]3CCCc4ccccc43)no2)c(O)c1 ZINC000324784483 1022967328 /nfs/dbraw/zinc/96/73/28/1022967328.db2.gz HSJKJYJOLROSFT-HNNXBMFYSA-N -1 0 322.364 3.919 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC000386391943 1022991121 /nfs/dbraw/zinc/99/11/21/1022991121.db2.gz KCZUTIWJMYKHDC-INIZCTEOSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OC1CCCC1 ZINC000857480604 1023017902 /nfs/dbraw/zinc/01/79/02/1023017902.db2.gz MXZLZCXFUGDFHJ-CYBMUJFWSA-N -1 0 305.418 3.742 20 0 DHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[N-]OCCC1CC1 ZINC000857512564 1023025476 /nfs/dbraw/zinc/02/54/76/1023025476.db2.gz PVAOQYWVARLGIS-CQSZACIVSA-N -1 0 305.418 3.734 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659157805 1023053338 /nfs/dbraw/zinc/05/33/38/1023053338.db2.gz ZHXROZGQXYJWKQ-ZDUSSCGKSA-N -1 0 317.772 3.573 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1F ZINC000659158455 1023054655 /nfs/dbraw/zinc/05/46/55/1023054655.db2.gz CVGNLEBGNLMQMW-ZIAGYGMSSA-N -1 0 319.376 3.608 20 0 DHADRM O=C(Nc1cn[nH]c1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000622306063 1023101128 /nfs/dbraw/zinc/10/11/28/1023101128.db2.gz KWIHTACJDUQUIE-UHFFFAOYSA-N -1 0 313.744 3.688 20 0 DHADRM C[C@H](c1ccccc1)N(C)C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000386996298 1023105400 /nfs/dbraw/zinc/10/54/00/1023105400.db2.gz DMDWDAVRSJRCBQ-CQSZACIVSA-N -1 0 303.402 3.631 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000387039807 1023114693 /nfs/dbraw/zinc/11/46/93/1023114693.db2.gz LPJZTDPQLOOZKS-KKUMJFAQSA-N -1 0 321.804 3.574 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000387039808 1023115656 /nfs/dbraw/zinc/11/56/56/1023115656.db2.gz LPJZTDPQLOOZKS-ZNMIVQPWSA-N -1 0 321.804 3.574 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000236696751 1023136862 /nfs/dbraw/zinc/13/68/62/1023136862.db2.gz KWPIXUBTOIZWAR-FZKQIMNGSA-N -1 0 323.408 3.859 20 0 DHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2O)no1 ZINC000769664325 1023192580 /nfs/dbraw/zinc/19/25/80/1023192580.db2.gz OBKPZPVBXWVAOZ-MRXNPFEDSA-N -1 0 314.385 3.789 20 0 DHADRM CC[C@H](C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccc(F)cc1 ZINC000652089275 1023273259 /nfs/dbraw/zinc/27/32/59/1023273259.db2.gz YNQGQKQGPJQBBB-BBRMVZONSA-N -1 0 323.408 3.573 20 0 DHADRM CSc1cc(NC(=O)C2CCC(C(=O)[O-])CC2)ccc1C ZINC000652122909 1023324230 /nfs/dbraw/zinc/32/42/30/1023324230.db2.gz PUAAXDLOBBTGMP-UHFFFAOYSA-N -1 0 307.415 3.546 20 0 DHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cc(=O)[nH][n-]1)C1CC1 ZINC000667121771 1033124593 /nfs/dbraw/zinc/12/45/93/1033124593.db2.gz KEYKARQHQOFFTP-GFCCVEGCSA-N -1 0 321.380 3.634 20 0 DHADRM COC(=O)/C=C/c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211663317 1023424392 /nfs/dbraw/zinc/42/43/92/1023424392.db2.gz DJBKWUSXNKMKRZ-BJMVGYQFSA-N -1 0 311.337 3.623 20 0 DHADRM O=C([N-][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C(F)(F)F ZINC000859369607 1033131718 /nfs/dbraw/zinc/13/17/18/1033131718.db2.gz IJWSLCACICAOTA-NSHDSACASA-N -1 0 316.710 3.877 20 0 DHADRM COc1cc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211663627 1023446570 /nfs/dbraw/zinc/44/65/70/1023446570.db2.gz TURWBZKZAXYDLA-UHFFFAOYSA-N -1 0 317.316 3.787 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCC(c2cccc(F)c2)CC1 ZINC000772138975 1023519722 /nfs/dbraw/zinc/51/97/22/1023519722.db2.gz YCCDUBBKRXBYEA-UHFFFAOYSA-N -1 0 317.335 3.690 20 0 DHADRM CC(C)(O)c1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000772636975 1023575935 /nfs/dbraw/zinc/57/59/35/1023575935.db2.gz ZJTAHZSLXIJIKV-UHFFFAOYSA-N -1 0 323.751 3.664 20 0 DHADRM Oc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1Cl ZINC000651900758 1023626585 /nfs/dbraw/zinc/62/65/85/1023626585.db2.gz HZEZMIRZCMVPIK-UHFFFAOYSA-N -1 0 323.717 3.912 20 0 DHADRM C[C@@H]1CCN(c2ccnc3c(F)cc(Cl)cc23)C[C@H]1C(=O)[O-] ZINC000662885338 1023641450 /nfs/dbraw/zinc/64/14/50/1023641450.db2.gz ZDMLPTRLARVNOU-BXKDBHETSA-N -1 0 322.767 3.574 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc3c(Cl)cccc3n2)C1 ZINC000662887829 1023644180 /nfs/dbraw/zinc/64/41/80/1023644180.db2.gz RYQBZDFWLKLHDY-LBPRGKRZSA-N -1 0 318.804 3.969 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2cc(F)c(Cl)cc21 ZINC000662893175 1023652985 /nfs/dbraw/zinc/65/29/85/1023652985.db2.gz JAGBMRMYVXZKTC-VHSXEESVSA-N -1 0 322.767 3.717 20 0 DHADRM CC(C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)=C1CCCC1 ZINC000909376074 1023739460 /nfs/dbraw/zinc/73/94/60/1023739460.db2.gz PADHNPZZMFJJAM-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C1=CCCCCC1 ZINC000909376396 1023741821 /nfs/dbraw/zinc/74/18/21/1023741821.db2.gz PIPPXOUIEAGWMV-MRXNPFEDSA-N -1 0 301.386 3.518 20 0 DHADRM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c1 ZINC000048653018 1023801710 /nfs/dbraw/zinc/80/17/10/1023801710.db2.gz RPUQGNMRULXHIJ-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM COc1c(F)cc(Nc2cc(=O)[nH]n2C2CCCC2)cc1F ZINC001211675053 1023802806 /nfs/dbraw/zinc/80/28/06/1023802806.db2.gz UYZSDVNNWZJDMO-UHFFFAOYSA-N -1 0 309.316 3.734 20 0 DHADRM CC(C)c1nc2cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2o1 ZINC000663071667 1023818071 /nfs/dbraw/zinc/81/80/71/1023818071.db2.gz KEPIJWAOTDZACO-CYBMUJFWSA-N -1 0 318.373 3.637 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc2c1ccn2C(F)F ZINC000663124962 1023860078 /nfs/dbraw/zinc/86/00/78/1023860078.db2.gz HJMBMGUJJXLUIL-LBPRGKRZSA-N -1 0 324.327 3.722 20 0 DHADRM CC(C)(C)c1coc([N-]S(=O)(=O)/C=C\c2ccccc2F)n1 ZINC000788206605 1023861376 /nfs/dbraw/zinc/86/13/76/1023861376.db2.gz XVXWWOMNSOCCAL-HJWRWDBZSA-N -1 0 324.377 3.524 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)Nc1ccccc1C)C(=O)[O-] ZINC000788318834 1023873222 /nfs/dbraw/zinc/87/32/22/1023873222.db2.gz RGTWTTPZFYVITK-QGZVFWFLSA-N -1 0 306.406 3.930 20 0 DHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001299825435 1033168281 /nfs/dbraw/zinc/16/82/81/1033168281.db2.gz YFUMIKLQWKNTES-SMDDNHRTSA-N -1 0 323.383 3.959 20 0 DHADRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000652454127 1023875811 /nfs/dbraw/zinc/87/58/11/1023875811.db2.gz ANCHULXTAYDMAA-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM CC1(C)CN(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000663157165 1023895166 /nfs/dbraw/zinc/89/51/66/1023895166.db2.gz NSSUHXIIBKHRBC-INIZCTEOSA-N -1 0 309.365 3.608 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)CC1 ZINC000659189944 1023938357 /nfs/dbraw/zinc/93/83/57/1023938357.db2.gz IIRPTOKEOYMXJU-QUSNUVHPSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCC1)CC(F)(F)F ZINC000663230977 1023947044 /nfs/dbraw/zinc/94/70/44/1023947044.db2.gz LCROEEVIRZUFSU-UHFFFAOYSA-N -1 0 323.355 3.506 20 0 DHADRM CCN(Cc1nc(-c2ccccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000662218225 1023990955 /nfs/dbraw/zinc/99/09/55/1023990955.db2.gz YYCULDSFYXXZJV-SNVBAGLBSA-N -1 0 324.833 3.759 20 0 DHADRM S=c1[n-]nc(-c2ccco2)n1N=Cc1ccccc1Cl ZINC000254615419 1023994957 /nfs/dbraw/zinc/99/49/57/1023994957.db2.gz AAIALWWZXMYMBZ-UHFFFAOYSA-N -1 0 304.762 3.736 20 0 DHADRM CC(C)[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000061835580 1024056121 /nfs/dbraw/zinc/05/61/21/1024056121.db2.gz YWPHJPHGMDLIJL-ZBEGNZNMSA-N -1 0 311.809 3.654 20 0 DHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000130383783 1024159170 /nfs/dbraw/zinc/15/91/70/1024159170.db2.gz PEHIHEHSRIWQMH-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM Cc1cc(C)c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000663341678 1024165035 /nfs/dbraw/zinc/16/50/35/1024165035.db2.gz QMKKAXURWNLIAP-LBPRGKRZSA-N -1 0 324.808 3.579 20 0 DHADRM O=C([N-]c1nc(-c2ccccc2)ns1)c1nc(Cl)cs1 ZINC000789904936 1024188559 /nfs/dbraw/zinc/18/85/59/1024188559.db2.gz XHZAPGZLRJCLMW-UHFFFAOYSA-N -1 0 322.802 3.567 20 0 DHADRM Cc1cc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1C ZINC000663356058 1024196488 /nfs/dbraw/zinc/19/64/88/1024196488.db2.gz DDCCQYXSETWMNB-GFCCVEGCSA-N -1 0 324.808 3.579 20 0 DHADRM O=C(C=Cc1ccoc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001142261840 1024237522 /nfs/dbraw/zinc/23/75/22/1024237522.db2.gz PDWOGWCJGPRSBU-DAFODLJHSA-N -1 0 302.380 3.830 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000314539552 1024277983 /nfs/dbraw/zinc/27/79/83/1024277983.db2.gz IIXMSQBGSQKVBL-CYBMUJFWSA-N -1 0 310.781 3.510 20 0 DHADRM O=C(Nc1ccc(O)c(Cl)c1)c1ccc(F)c(F)c1F ZINC000094184683 1024394975 /nfs/dbraw/zinc/39/49/75/1024394975.db2.gz IKIJAGXABBTSRG-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CC(C)Oc1ccc(COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000746985369 1024451238 /nfs/dbraw/zinc/45/12/38/1024451238.db2.gz IGOLGHBIEZEKDS-UHFFFAOYSA-N -1 0 322.307 3.815 20 0 DHADRM O=S(=O)([N-]c1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000071565100 1024459954 /nfs/dbraw/zinc/45/99/54/1024459954.db2.gz KNWQPDMOLYVDIU-UHFFFAOYSA-N -1 0 316.407 3.611 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccc1Cl ZINC000317594810 1024555286 /nfs/dbraw/zinc/55/52/86/1024555286.db2.gz RUDCKMBOBWFOKD-WTKPLQERSA-N -1 0 315.756 3.999 20 0 DHADRM CCSc1cccc(F)c1[N-]C(=O)c1cnc(Cl)cn1 ZINC001274595156 1024563965 /nfs/dbraw/zinc/56/39/65/1024563965.db2.gz CXZDGTPREDPJPM-UHFFFAOYSA-N -1 0 311.769 3.633 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000316056804 1024571143 /nfs/dbraw/zinc/57/11/43/1024571143.db2.gz IHPZKMFPBMUKTJ-RISCZKNCSA-N -1 0 306.406 3.605 20 0 DHADRM Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(O)c1 ZINC000029088416 1024571485 /nfs/dbraw/zinc/57/14/85/1024571485.db2.gz YXRQNPBSQXHLJV-UHFFFAOYSA-N -1 0 317.414 3.852 20 0 DHADRM 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O=C([O-])CCCCCCCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000844154632 1030969272 /nfs/dbraw/zinc/96/92/72/1030969272.db2.gz DUNXWDRNVWCUNB-HOTGVXAUSA-N -1 0 309.450 3.744 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000844154634 1030970548 /nfs/dbraw/zinc/97/05/48/1030970548.db2.gz DUNXWDRNVWCUNB-JKSUJKDBSA-N -1 0 309.450 3.744 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000844157072 1030974493 /nfs/dbraw/zinc/97/44/93/1030974493.db2.gz VQRHFIYIEGVHSJ-UHFFFAOYSA-N -1 0 315.341 3.585 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000844249675 1031008304 /nfs/dbraw/zinc/00/83/04/1031008304.db2.gz MXECYEXAHONMHI-ZDUSSCGKSA-N -1 0 309.431 3.873 20 0 DHADRM CCc1oc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000261619315 1031050102 /nfs/dbraw/zinc/05/01/02/1031050102.db2.gz HMWMBOXPESREPB-LBPRGKRZSA-N -1 0 315.369 3.682 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000208613037 1031115467 /nfs/dbraw/zinc/11/54/67/1031115467.db2.gz SBQGLWJRLRMCML-BAQGIRSFSA-N -1 0 307.758 3.752 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000262479024 1031119031 /nfs/dbraw/zinc/11/90/31/1031119031.db2.gz VLMQSRDAHFXMDU-KRWDZBQOSA-N -1 0 324.380 3.884 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000262834267 1031149939 /nfs/dbraw/zinc/14/99/39/1031149939.db2.gz BVOGRXRPNANNMP-IPYPFGDCSA-N -1 0 315.413 3.664 20 0 DHADRM C[C@@H](OC1CCCCCC1)C(=O)[N-]OCCCC(F)(F)F ZINC000871213273 1031162596 /nfs/dbraw/zinc/16/25/96/1031162596.db2.gz NECZZFVZMWYIKN-LLVKDONJSA-N -1 0 311.344 3.505 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000263045347 1031163220 /nfs/dbraw/zinc/16/32/20/1031163220.db2.gz DJJVMXZSLTXKAU-CQSZACIVSA-N -1 0 323.392 3.836 20 0 DHADRM CC(C)O[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871216620 1031164379 /nfs/dbraw/zinc/16/43/79/1031164379.db2.gz ZQCXOOJFWQDTKU-ZDUSSCGKSA-N -1 0 319.323 3.543 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)CC2 ZINC000263104119 1031166501 /nfs/dbraw/zinc/16/65/01/1031166501.db2.gz WCIXRMIGPSFOBM-MRXNPFEDSA-N -1 0 315.413 3.559 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)CC2)c1 ZINC000263202874 1031173401 /nfs/dbraw/zinc/17/34/01/1031173401.db2.gz KGHRCYOSQZHBID-AWEZNQCLSA-N -1 0 323.392 3.853 20 0 DHADRM CCS[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)C(C)C ZINC000263356780 1031184620 /nfs/dbraw/zinc/18/46/20/1031184620.db2.gz XEYICTHBENQTGO-BXUZGUMPSA-N -1 0 309.431 3.591 20 0 DHADRM Cc1nc(C(=O)N2CCCCC[C@@H]2CC(C)C)ccc1C(=O)[O-] ZINC000263373112 1031188633 /nfs/dbraw/zinc/18/86/33/1031188633.db2.gz ZELGGVLYLGIKPV-CQSZACIVSA-N -1 0 318.417 3.519 20 0 DHADRM CC(C)c1ccc(NC(=O)N(C)CCC(=O)[O-])c(C(C)C)c1 ZINC000263478885 1031198549 /nfs/dbraw/zinc/19/85/49/1031198549.db2.gz KFKOFACCXJICGW-UHFFFAOYSA-N -1 0 306.406 3.872 20 0 DHADRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1ccc(Cl)cn1 ZINC000263546293 1031203454 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CC1(C)CCc2c([n-]n(-c3cc(C(F)(F)F)ccn3)c2=O)C1 ZINC000871955016 1031386750 /nfs/dbraw/zinc/38/67/50/1031386750.db2.gz UOBPSCVPSYATHU-SNVBAGLBSA-N -1 0 311.307 3.629 20 0 DHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1cc2ccccc2o1 ZINC000191350137 1031396826 /nfs/dbraw/zinc/39/68/26/1031396826.db2.gz LIVUQBLHCAGSQW-VIFPVBQESA-N -1 0 315.350 3.935 20 0 DHADRM C[C@@]1(CCNc2ncc(C(=O)[O-])cc2Cl)C[C@@]1(F)Cl ZINC000844929483 1031406383 /nfs/dbraw/zinc/40/63/83/1031406383.db2.gz PBOHDOYWZTWZLR-NEPJUHHUSA-N -1 0 307.152 3.550 20 0 DHADRM CCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1CC ZINC000536994984 1031482336 /nfs/dbraw/zinc/48/23/36/1031482336.db2.gz GKKHBTKIGDLORR-UHFFFAOYSA-N -1 0 303.402 3.785 20 0 DHADRM CSc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000536988512 1031484048 /nfs/dbraw/zinc/48/40/48/1031484048.db2.gz DKWNASUMRGYMMD-UHFFFAOYSA-N -1 0 307.440 3.826 20 0 DHADRM CN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@H]1CC1(C)C ZINC000455851170 1031554568 /nfs/dbraw/zinc/55/45/68/1031554568.db2.gz 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ZINC000872972178 1031684227 /nfs/dbraw/zinc/68/42/27/1031684227.db2.gz WUVZNYNHKJVSSV-UHFFFAOYSA-N -1 0 317.385 3.514 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)c1C(=O)[O-] ZINC000872994674 1031686817 /nfs/dbraw/zinc/68/68/17/1031686817.db2.gz RBMJVGGNSPKWCX-BIENJYKASA-N -1 0 315.413 3.700 20 0 DHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCCCC1)C(C)(F)F ZINC000872999411 1031690291 /nfs/dbraw/zinc/69/02/91/1031690291.db2.gz HTIIUGMCBYQPMP-UHFFFAOYSA-N -1 0 319.392 3.599 20 0 DHADRM Cc1sc(N2CC[C@@](C)(C(=O)[O-])C2)nc1-c1ccc(F)cc1 ZINC000873058339 1031700304 /nfs/dbraw/zinc/70/03/04/1031700304.db2.gz NPLTYQKPIMAPRC-MRXNPFEDSA-N -1 0 320.389 3.559 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc2nccn21 ZINC000760426869 1031708870 /nfs/dbraw/zinc/70/88/70/1031708870.db2.gz PXMHCSXYGIWTHZ-UHFFFAOYSA-N -1 0 322.151 3.599 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2cc(F)c([O-])c(Cl)c2)CC12CCC2 ZINC000293943883 1031712058 /nfs/dbraw/zinc/71/20/58/1031712058.db2.gz VBJGMXLIAZIRGS-AWEZNQCLSA-N -1 0 311.784 3.835 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)c1 ZINC000361168603 1031767781 /nfs/dbraw/zinc/76/77/81/1031767781.db2.gz FOJGJRCMEVYYRH-OCCSQVGLSA-N -1 0 319.401 3.519 20 0 DHADRM O=S(=O)([N-]c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000231727365 1031787667 /nfs/dbraw/zinc/78/76/67/1031787667.db2.gz MMDNYNMIWMPMMA-UHFFFAOYSA-N -1 0 320.172 3.933 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000846230555 1031936360 /nfs/dbraw/zinc/93/63/60/1031936360.db2.gz SYDUUPOOPICLNG-JTQLQIEISA-N -1 0 321.726 3.813 20 0 DHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1F ZINC001144762232 1031945035 /nfs/dbraw/zinc/94/50/35/1031945035.db2.gz UCWSNKBKKBMFGT-AWEZNQCLSA-N -1 0 309.287 3.691 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044490174 1032051221 /nfs/dbraw/zinc/05/12/21/1032051221.db2.gz HQXRETODFVAAFN-UHFFFAOYSA-N -1 0 306.159 3.715 20 0 DHADRM CSc1ccc([C@H](C)N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553227619 1033633948 /nfs/dbraw/zinc/63/39/48/1033633948.db2.gz RQHLSQYNMHJTMG-ZETCQYMHSA-N -1 0 319.377 3.874 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1 ZINC000479250478 1033697276 /nfs/dbraw/zinc/69/72/76/1033697276.db2.gz IEIIHHAVWMKIAT-ZDUSSCGKSA-N -1 0 321.446 3.778 20 0 DHADRM C[C@@H]1CSCCCN1C(=O)c1ccc2ccccc2c1O ZINC000889914264 1033774531 /nfs/dbraw/zinc/77/45/31/1033774531.db2.gz ZDOFEWJPQGVHST-GFCCVEGCSA-N -1 0 301.411 3.513 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2cc(F)cc(CO)c2)c1Cl ZINC001212743724 1033778228 /nfs/dbraw/zinc/77/82/28/1033778228.db2.gz PFUPZLYRADXAKH-UHFFFAOYSA-N -1 0 321.110 3.608 20 0 DHADRM CC1CCC(N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000118874092 1033814840 /nfs/dbraw/zinc/81/48/40/1033814840.db2.gz STZMHDOSVUJSCN-UHFFFAOYSA-N -1 0 304.415 3.767 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]1C1CCC1 ZINC000174581899 1033943275 /nfs/dbraw/zinc/94/32/75/1033943275.db2.gz POKZHHZZTCPKOY-ZDUSSCGKSA-N -1 0 302.399 3.521 20 0 DHADRM CCN(Cc1nc(=O)c2sccc2[n-]1)c1cccc(C)c1F ZINC000879415206 1034009708 /nfs/dbraw/zinc/00/97/08/1034009708.db2.gz WNHMQJHEDGMPCW-UHFFFAOYSA-N -1 0 317.389 3.871 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000321779608 1034018143 /nfs/dbraw/zinc/01/81/43/1034018143.db2.gz SMUSQICPPZQAJN-HZPDHXFCSA-N -1 0 309.365 3.793 20 0 DHADRM Cc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(C)c1 ZINC001174014224 1034043616 /nfs/dbraw/zinc/04/36/16/1034043616.db2.gz YZJDVHNLPRKSJJ-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM NC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2[S-])cc1 ZINC001174052734 1034056972 /nfs/dbraw/zinc/05/69/72/1034056972.db2.gz YUKBUMHWBIJZED-UHFFFAOYSA-N -1 0 312.316 3.837 20 0 DHADRM CC(C)[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1cccnc1 ZINC000176336456 1034081876 /nfs/dbraw/zinc/08/18/76/1034081876.db2.gz KMHBDHUSUNZLEC-AWEZNQCLSA-N -1 0 318.804 3.610 20 0 DHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000863450906 1034100528 /nfs/dbraw/zinc/10/05/28/1034100528.db2.gz ONTHWSPLCOIUNK-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM CC1(C)CO[C@@H](CCC(=O)Nc2cc(Cl)c([O-])cc2F)C1 ZINC000879980017 1034170019 /nfs/dbraw/zinc/17/00/19/1034170019.db2.gz FERAMRVQEYYKHE-VIFPVBQESA-N -1 0 315.772 3.719 20 0 DHADRM CC(C)S(=O)(=O)c1ccc(Nc2ccc([S-])cc2)cc1 ZINC001174270808 1034264282 /nfs/dbraw/zinc/26/42/82/1034264282.db2.gz MTKCJOFVOXQXJD-UHFFFAOYSA-N -1 0 307.440 3.901 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)cc1C(=O)[O-] ZINC000864128646 1034293705 /nfs/dbraw/zinc/29/37/05/1034293705.db2.gz ONUUCSXFZKNQNF-GFCCVEGCSA-N -1 0 309.365 3.532 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000864124902 1034295623 /nfs/dbraw/zinc/29/56/23/1034295623.db2.gz KOJAVBNRNXZFFT-SFHVURJKSA-N -1 0 323.392 3.843 20 0 DHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000864136495 1034296535 /nfs/dbraw/zinc/29/65/35/1034296535.db2.gz ZMBPRWICUGTGLB-JTQLQIEISA-N -1 0 321.373 3.793 20 0 DHADRM C[C@@H](Oc1ccc(NC(=O)C=C2CCCCC2)cc1F)C(=O)[O-] ZINC000864170324 1034298548 /nfs/dbraw/zinc/29/85/48/1034298548.db2.gz BWOFLYULXSXULM-LLVKDONJSA-N -1 0 321.348 3.507 20 0 DHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CCCCC(=O)[O-])C1 ZINC000864173395 1034299142 /nfs/dbraw/zinc/29/91/42/1034299142.db2.gz AVKCMOWMGKVDNK-OAHLLOKOSA-N -1 0 317.429 3.883 20 0 DHADRM CC(C)(CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1=CCCCC1 ZINC000864178535 1034299555 /nfs/dbraw/zinc/29/95/55/1034299555.db2.gz CUTGEOOFNIOKOZ-PKNBQFBNSA-N -1 0 317.385 3.634 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864203057 1034301388 /nfs/dbraw/zinc/30/13/88/1034301388.db2.gz AHBKOFSCROAGLZ-NLZINVLXSA-N -1 0 321.804 3.503 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864204420 1034302161 /nfs/dbraw/zinc/30/21/61/1034302161.db2.gz YMIQIKRWJXDYJW-KAMXEHQASA-N -1 0 321.804 3.503 20 0 DHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225147 1034303408 /nfs/dbraw/zinc/30/34/08/1034303408.db2.gz NUJCWDGVKDTPPO-MEDUHNTESA-N -1 0 315.369 3.538 20 0 DHADRM C[C@@]1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1(F)F ZINC000864225279 1034303797 /nfs/dbraw/zinc/30/37/97/1034303797.db2.gz PJINTLQXEXSIJM-HNNXBMFYSA-N -1 0 305.280 3.522 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226623 1034304261 /nfs/dbraw/zinc/30/42/61/1034304261.db2.gz LQWPZSWBYVIQKI-OCCSQVGLSA-N -1 0 303.402 3.664 20 0 DHADRM CCc1nc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cs1 ZINC000864354231 1034325565 /nfs/dbraw/zinc/32/55/65/1034325565.db2.gz BFDJBKZLSSDXEK-UHFFFAOYSA-N -1 0 305.428 3.623 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1ccc(OC)cc1C)C(=O)[O-] ZINC000777372665 1034348306 /nfs/dbraw/zinc/34/83/06/1034348306.db2.gz WLGSLCYKLQHDKF-SFHVURJKSA-N -1 0 321.417 3.547 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000777377442 1034349222 /nfs/dbraw/zinc/34/92/22/1034349222.db2.gz WPDQQNOCFCRDLI-JTQLQIEISA-N -1 0 321.373 3.537 20 0 DHADRM O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)cc(F)c1[O-] ZINC001137156334 1034349649 /nfs/dbraw/zinc/34/96/49/1034349649.db2.gz CDHKPRDXIWFWDN-UHFFFAOYSA-N -1 0 322.286 3.636 20 0 DHADRM Cc1cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)s1 ZINC001174420538 1034368650 /nfs/dbraw/zinc/36/86/50/1034368650.db2.gz SPTXYKZYPBMGRP-UHFFFAOYSA-N -1 0 311.428 3.972 20 0 DHADRM Cc1cc(=O)n(-c2ccc(-c3cccc(COC(C)C)c3)cn2)[n-]1 ZINC000864536237 1034382374 /nfs/dbraw/zinc/38/23/74/1034382374.db2.gz YVONAELSFQAWNM-UHFFFAOYSA-N -1 0 323.396 3.786 20 0 DHADRM CC(C)(O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000864607794 1034396267 /nfs/dbraw/zinc/39/62/67/1034396267.db2.gz BLFXHLMTFDUCGQ-KSZLIROESA-N -1 0 308.377 3.551 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cc(-c3ccccc3O)no2)c1 ZINC001174494646 1034409917 /nfs/dbraw/zinc/40/99/17/1034409917.db2.gz DTCQBQLPEDVUBI-CMDGGOBGSA-N -1 0 322.320 3.889 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2Cc2ccccc2)c1 ZINC001174494753 1034410524 /nfs/dbraw/zinc/41/05/24/1034410524.db2.gz GALHAZBWVDXEIH-MDZDMXLPSA-N -1 0 319.364 3.773 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cc3ccccc3oc2=O)c1 ZINC001174494289 1034411083 /nfs/dbraw/zinc/41/10/83/1034411083.db2.gz BQQMVNUOKZDPJF-CMDGGOBGSA-N -1 0 307.305 3.634 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnc(OC(F)(F)F)c2)c1 ZINC001174495911 1034412402 /nfs/dbraw/zinc/41/24/02/1034412402.db2.gz VZVYZJOWNNSJSM-SNAWJCMRSA-N -1 0 324.258 3.822 20 0 DHADRM COc1cc(Cl)nc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495063 1034413069 /nfs/dbraw/zinc/41/30/69/1034413069.db2.gz JBKBJZLYYBWAOP-AATRIKPKSA-N -1 0 304.733 3.585 20 0 DHADRM Cc1nc(Cl)nc(Cl)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495502 1034413121 /nfs/dbraw/zinc/41/31/21/1034413121.db2.gz SMERTJXLBBVUQZ-AATRIKPKSA-N -1 0 324.167 3.933 20 0 DHADRM CCn1cc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2n1 ZINC001174496222 1034413172 /nfs/dbraw/zinc/41/31/72/1034413172.db2.gz HBCHOYIOPWLCEF-RMKNXTFCSA-N -1 0 307.353 3.898 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(-n3cccn3)cc2)c1 ZINC001174496063 1034413294 /nfs/dbraw/zinc/41/32/94/1034413294.db2.gz BNMRRSRMLJHFAW-BJMVGYQFSA-N -1 0 305.337 3.714 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cc(-c3ccccc3)cnn2)c1 ZINC001174496179 1034413398 /nfs/dbraw/zinc/41/33/98/1034413398.db2.gz FLGZSZYFVROSQA-MDZDMXLPSA-N -1 0 317.348 3.985 20 0 DHADRM C=CC(=O)Nc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174499279 1034417906 /nfs/dbraw/zinc/41/79/06/1034417906.db2.gz PHGCQEPIWWVEIO-MDZDMXLPSA-N -1 0 308.337 3.653 20 0 DHADRM O=C([O-])C=Cc1cccc(Nc2cccc3ccc(=O)[nH]c32)c1 ZINC001174499156 1034418167 /nfs/dbraw/zinc/41/81/67/1034418167.db2.gz MROLCKIKJKWNAT-JXMROGBWSA-N -1 0 306.321 3.782 20 0 DHADRM CC[C@@H](CNC(=O)c1cc(O)ccc1Cl)c1ccccc1 ZINC000554941280 1034434807 /nfs/dbraw/zinc/43/48/07/1034434807.db2.gz PVGLCQFTSUDXEP-LBPRGKRZSA-N -1 0 303.789 3.969 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC001174501041 1034459022 /nfs/dbraw/zinc/45/90/22/1034459022.db2.gz XAFXJFRIFZSCRZ-JXMROGBWSA-N -1 0 322.364 3.803 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(-c2ccncn2)cc1 ZINC001174677070 1034542289 /nfs/dbraw/zinc/54/22/89/1034542289.db2.gz UIOWHTWKQMDAGQ-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)[C@H](O)CCC2 ZINC001174675979 1034542447 /nfs/dbraw/zinc/54/24/47/1034542447.db2.gz ZYVNECBCRNMVFK-MRXNPFEDSA-N -1 0 313.353 3.507 20 0 DHADRM COc1cccc2cc(Nc3ccc(C(=O)[O-])cc3OC)cnc21 ZINC001174674723 1034542673 /nfs/dbraw/zinc/54/26/73/1034542673.db2.gz JCLKMNDPPHKOHH-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2sncc2c1 ZINC001174676356 1034542769 /nfs/dbraw/zinc/54/27/69/1034542769.db2.gz IUUYJSYCXDFJQO-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(N)cc(F)cc1Cl ZINC001174675254 1034542989 /nfs/dbraw/zinc/54/29/89/1034542989.db2.gz KJWMJPRXZSHMIM-UHFFFAOYSA-N -1 0 310.712 3.512 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1cccc(C)c1 ZINC001174674528 1034543074 /nfs/dbraw/zinc/54/30/74/1034543074.db2.gz AMFJOPZFVCTVDT-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1ccc2cc(Nc3ccc(C(=O)[O-])cc3OC)ccc2n1 ZINC001174676587 1034543361 /nfs/dbraw/zinc/54/33/61/1034543361.db2.gz NSVJRPWXNXDDOM-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM CCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1F ZINC001174679776 1034544509 /nfs/dbraw/zinc/54/45/09/1034544509.db2.gz GAVNOQITGGMSCK-UHFFFAOYSA-N -1 0 305.305 3.675 20 0 DHADRM COc1cc(Nc2cc(O)c(Cl)cc2F)ccc1C(=O)[O-] ZINC001174685021 1034547413 /nfs/dbraw/zinc/54/74/13/1034547413.db2.gz LXROWCLFOJYUAB-UHFFFAOYSA-N -1 0 311.696 3.635 20 0 DHADRM COc1cc(Nc2csc3cnccc23)ccc1C(=O)[O-] ZINC001174682089 1034547782 /nfs/dbraw/zinc/54/77/82/1034547782.db2.gz CTJZLTATXHXPIY-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1cc(Nc2ccc3c(c2)OC(C)(C)O3)ccc1C(=O)[O-] ZINC001174685102 1034548086 /nfs/dbraw/zinc/54/80/86/1034548086.db2.gz ONSBLBANANMBEI-UHFFFAOYSA-N -1 0 315.325 3.644 20 0 DHADRM COc1cc(Nc2cc3ccccc3c(OC)n2)ccc1C(=O)[O-] ZINC001174682507 1034548238 /nfs/dbraw/zinc/54/82/38/1034548238.db2.gz BGCNOFPTHDUOSL-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1cc(Nc2cccc3ncc(F)cc32)ccc1C(=O)[O-] ZINC001174685916 1034550099 /nfs/dbraw/zinc/55/00/99/1034550099.db2.gz CXFGJWXGDKXJPE-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(Nc2ccc(-c3ccncn3)cc2)ccc1C(=O)[O-] ZINC001174686721 1034550167 /nfs/dbraw/zinc/55/01/67/1034550167.db2.gz FQBCCLGTKBFYED-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM COc1cc(Nc2ccc(F)c3cnccc23)ccc1C(=O)[O-] ZINC001174686097 1034550331 /nfs/dbraw/zinc/55/03/31/1034550331.db2.gz KFXQCJIROGXVFU-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000899299044 1034566433 /nfs/dbraw/zinc/56/64/33/1034566433.db2.gz UCNHDKMGRFOCNE-CYBMUJFWSA-N -1 0 321.417 3.603 20 0 DHADRM CC1(C)CCCC[C@H]1n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899354299 1034590103 /nfs/dbraw/zinc/59/01/03/1034590103.db2.gz DZRKJUQTNNGWQC-MNOVXSKESA-N -1 0 302.340 3.742 20 0 DHADRM CC(C)(C)c1ccc(-n2[n-]c(C3CCOCC3)cc2=O)cc1 ZINC000899348785 1034593770 /nfs/dbraw/zinc/59/37/70/1034593770.db2.gz KGSCOENUGBLLRI-UHFFFAOYSA-N -1 0 300.402 3.503 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(F)c(Cl)c1 ZINC000899348943 1034595756 /nfs/dbraw/zinc/59/57/56/1034595756.db2.gz QBDIZODGBMGATR-JTQLQIEISA-N -1 0 320.673 3.770 20 0 DHADRM Cc1cncc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001174757424 1034612822 /nfs/dbraw/zinc/61/28/22/1034612822.db2.gz RXZZKRODNCAUJA-UHFFFAOYSA-N -1 0 314.366 3.534 20 0 DHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1C1CCC(F)(F)CC1 ZINC000899367166 1034614150 /nfs/dbraw/zinc/61/41/50/1034614150.db2.gz XBURWEMLYZSRMJ-UHFFFAOYSA-N -1 0 312.747 3.854 20 0 DHADRM O=C([O-])c1ccc(Nc2nc3ccccc3nc2Cl)s1 ZINC001174805978 1034630822 /nfs/dbraw/zinc/63/08/22/1034630822.db2.gz MBEVXODTKNWZRG-UHFFFAOYSA-N -1 0 305.746 3.787 20 0 DHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])s3)on2)cc1 ZINC001174805993 1034631146 /nfs/dbraw/zinc/63/11/46/1034631146.db2.gz MTVDJIDSKOLHQV-UHFFFAOYSA-N -1 0 316.338 3.854 20 0 DHADRM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])s2)c(C(N)=O)s1 ZINC001174805778 1034631390 /nfs/dbraw/zinc/63/13/90/1034631390.db2.gz YEKWVXJJNYAYNO-UHFFFAOYSA-N -1 0 324.427 3.648 20 0 DHADRM Cc1cnn(-c2cccc(C)c2)c1Nc1ccc(C(=O)[O-])s1 ZINC001174806733 1034631931 /nfs/dbraw/zinc/63/19/31/1034631931.db2.gz DFYUPODJPWIOHY-UHFFFAOYSA-N -1 0 313.382 3.992 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)cc2)s1 ZINC001174807125 1034632927 /nfs/dbraw/zinc/63/29/27/1034632927.db2.gz JPBFQDKUVSDITL-UHFFFAOYSA-N -1 0 319.382 3.748 20 0 DHADRM CCOc1ccc(OCC)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174808404 1034633127 /nfs/dbraw/zinc/63/31/27/1034633127.db2.gz VDNJNTUNNTZVES-UHFFFAOYSA-N -1 0 307.371 3.987 20 0 DHADRM CC(C)(C)c1cnn2cc(Nc3ccc(C(=O)[O-])s3)cnc12 ZINC001174808219 1034633532 /nfs/dbraw/zinc/63/35/32/1034633532.db2.gz SZIWBXDEUILYHF-UHFFFAOYSA-N -1 0 316.386 3.530 20 0 DHADRM CO[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])s3)cccc21 ZINC001174807888 1034633825 /nfs/dbraw/zinc/63/38/25/1034633825.db2.gz LFZQUPSUCZABDR-LLVKDONJSA-N -1 0 305.355 3.660 20 0 DHADRM Cc1nccn1Cc1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174810461 1034634797 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C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000042337183 332242140 /nfs/dbraw/zinc/24/21/40/332242140.db2.gz OSYLNGXGJHIOPO-MRVPVSSYSA-N -1 0 309.774 3.591 20 0 DHADRM CC(C)(C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536460686 332249162 /nfs/dbraw/zinc/24/91/62/332249162.db2.gz VWVKLQKCINPMPG-UHFFFAOYSA-N -1 0 306.587 3.793 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC2(CCC2)CC1 ZINC000367418008 332250835 /nfs/dbraw/zinc/25/08/35/332250835.db2.gz JBGFLOBLHMFRGX-UHFFFAOYSA-N -1 0 302.399 3.523 20 0 DHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000105388100 332251538 /nfs/dbraw/zinc/25/15/38/332251538.db2.gz VUVOBOPADYASSB-GFCCVEGCSA-N -1 0 323.389 3.642 20 0 DHADRM CCc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1CC ZINC000559584153 332272642 /nfs/dbraw/zinc/27/26/42/332272642.db2.gz FFYTZTUVGMXCPR-LBPRGKRZSA-N -1 0 318.417 3.671 20 0 DHADRM O=C([O-])c1cccc(NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000559981171 332299009 /nfs/dbraw/zinc/29/90/09/332299009.db2.gz IGTZVJRESIACCF-UHFFFAOYSA-N -1 0 311.259 3.737 20 0 DHADRM Cc1ccoc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000559989318 332300064 /nfs/dbraw/zinc/30/00/64/332300064.db2.gz SEOYWGPXIISSFM-IBGZPJMESA-N -1 0 313.397 3.729 20 0 DHADRM Cc1cc(NC(=O)c2coc(C3CCCC3)n2)ccc1C(=O)[O-] ZINC000560444560 332339823 /nfs/dbraw/zinc/33/98/23/332339823.db2.gz OKEKMYBBAITPAR-UHFFFAOYSA-N -1 0 314.341 3.591 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000237580266 332377188 /nfs/dbraw/zinc/37/71/88/332377188.db2.gz UIONXRXBVSEJJC-RHSMWYFYSA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000261611743 332390916 /nfs/dbraw/zinc/39/09/16/332390916.db2.gz BFXIQXQFVWEMRF-GGXPGOJBSA-N -1 0 321.461 3.552 20 0 DHADRM CC(C)CC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCC1 ZINC000261825519 332442611 /nfs/dbraw/zinc/44/26/11/332442611.db2.gz AZRLLKGJFXAPJS-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM O=C(Nc1cccc(-c2ncco2)c1)c1cc(Cl)ccc1[O-] ZINC000150920707 332456047 /nfs/dbraw/zinc/45/60/47/332456047.db2.gz AXZSJRHWYNOFHU-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM Cc1c(F)cccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000261839163 332470642 /nfs/dbraw/zinc/47/06/42/332470642.db2.gz CGKIAXPKMAZTGN-UHFFFAOYSA-N -1 0 307.365 3.888 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c(C)c1 ZINC000427802845 332521612 /nfs/dbraw/zinc/52/16/12/332521612.db2.gz XHHYBQPONOOZAB-UHFFFAOYSA-N -1 0 322.430 3.698 20 0 DHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000562402524 332589738 /nfs/dbraw/zinc/58/97/38/332589738.db2.gz GMRROUOXIADNDH-LLVKDONJSA-N -1 0 303.383 3.969 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C/c3ccc(F)cc3F)oc2c1 ZINC000562451107 332594466 /nfs/dbraw/zinc/59/44/66/332594466.db2.gz CLIDGLQNVVLJPB-ZZXKWVIFSA-N -1 0 301.248 3.975 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCCC2)c2ccccc21 ZINC000177468384 332988302 /nfs/dbraw/zinc/98/83/02/332988302.db2.gz FJTQQBXWLXLFFQ-OAHLLOKOSA-N -1 0 301.386 3.562 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC000178890365 333021947 /nfs/dbraw/zinc/02/19/47/333021947.db2.gz ISZPJPHREPVJEE-IUODEOHRSA-N -1 0 303.402 3.632 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC000178890351 333021961 /nfs/dbraw/zinc/02/19/61/333021961.db2.gz ISZPJPHREPVJEE-WFASDCNBSA-N -1 0 303.402 3.632 20 0 DHADRM Cc1ncc(-c2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)o1 ZINC000178998856 333023299 /nfs/dbraw/zinc/02/32/99/333023299.db2.gz CSZJAEUJESHGOZ-UHFFFAOYSA-N -1 0 312.300 3.747 20 0 DHADRM O=C([O-])C1(CNC(=O)c2cccc3ccccc32)CCCCC1 ZINC000179195030 333024455 /nfs/dbraw/zinc/02/44/55/333024455.db2.gz DTWLUOVZSAJTDU-UHFFFAOYSA-N -1 0 311.381 3.605 20 0 DHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000179959430 333026762 /nfs/dbraw/zinc/02/67/62/333026762.db2.gz PZTUURJOXIXTAS-IPYPFGDCSA-N -1 0 323.820 3.798 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1Cl ZINC000181216225 333029709 /nfs/dbraw/zinc/02/97/09/333029709.db2.gz 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333146400 /nfs/dbraw/zinc/14/64/00/333146400.db2.gz ZKZZBHCJIYMVFT-LBPRGKRZSA-N -1 0 317.307 3.528 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000417764112 335124822 /nfs/dbraw/zinc/12/48/22/335124822.db2.gz ONTSAWJNFDBKCC-UHFFFAOYSA-N -1 0 320.723 3.606 20 0 DHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000180113901 333158644 /nfs/dbraw/zinc/15/86/44/333158644.db2.gz FRRLVTWULFEADW-GHMZBOCLSA-N -1 0 305.324 3.592 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000582047219 333185642 /nfs/dbraw/zinc/18/56/42/333185642.db2.gz BCJATNXXCNPDPF-JZKQVHKSSA-N -1 0 314.834 3.575 20 0 DHADRM CCCCCc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000582081458 333203766 /nfs/dbraw/zinc/20/37/66/333203766.db2.gz YRLGVTIBCGIKPK-GOSISDBHSA-N -1 0 318.417 3.794 20 0 DHADRM Cc1ccc(C(=O)[O-])c(-c2ccc(O[C@H]3CCOC3)c(C)c2)c1 ZINC000580330295 333203922 /nfs/dbraw/zinc/20/39/22/333203922.db2.gz FLKCUZMVHHRCOV-HNNXBMFYSA-N -1 0 312.365 3.836 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)s1 ZINC000533934300 333217395 /nfs/dbraw/zinc/21/73/95/333217395.db2.gz OHVGAPLDPCFXPM-UHFFFAOYSA-N -1 0 318.423 3.660 20 0 DHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000319143505 333264452 /nfs/dbraw/zinc/26/44/52/333264452.db2.gz KGHWIEVSRSUVRZ-UHFFFAOYSA-N -1 0 321.446 3.631 20 0 DHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCC1)C1CCCCC1 ZINC000497849856 333301080 /nfs/dbraw/zinc/30/10/80/333301080.db2.gz DFOZFNWLGUHQRS-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000531326867 333343991 /nfs/dbraw/zinc/34/39/91/333343991.db2.gz XZGGDJGBGBQONN-GJZGRUSLSA-N -1 0 317.429 3.720 20 0 DHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000583458856 333358107 /nfs/dbraw/zinc/35/81/07/333358107.db2.gz XJKWJODUEBQQIN-UHFFFAOYSA-N -1 0 311.381 3.765 20 0 DHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(C)cc1 ZINC000186409326 333373400 /nfs/dbraw/zinc/37/34/00/333373400.db2.gz ILIREUXWWNRHEW-HNNXBMFYSA-N -1 0 305.324 3.860 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186570101 333374847 /nfs/dbraw/zinc/37/48/47/333374847.db2.gz SKXWJWASDJVGQA-LLVKDONJSA-N -1 0 305.324 3.812 20 0 DHADRM CC(C)OCc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186700741 333376740 /nfs/dbraw/zinc/37/67/40/333376740.db2.gz AOCYZGLLAMSPAS-UHFFFAOYSA-N -1 0 321.323 3.848 20 0 DHADRM CC(C)(CCc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186774394 333378576 /nfs/dbraw/zinc/37/85/76/333378576.db2.gz CSDOXFWBOMBTEL-UHFFFAOYSA-N -1 0 319.351 3.812 20 0 DHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(F)c1 ZINC000186818353 333379448 /nfs/dbraw/zinc/37/94/48/333379448.db2.gz XXGYMLDWHSRDEL-UHFFFAOYSA-N -1 0 323.314 3.517 20 0 DHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000319994462 333420524 /nfs/dbraw/zinc/42/05/24/333420524.db2.gz YQKAMGOJNOWDJQ-UHFFFAOYSA-N -1 0 323.389 3.661 20 0 DHADRM Fc1cccc2c1SCC[C@H]2N=c1[n-]c(C2CCC2)no1 ZINC000571032311 333482901 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301.390 3.548 20 0 DHADRM Cc1ccc2c(C(=O)NC3(C(=O)[O-])CCCCC3)csc2c1 ZINC000430314164 334085384 /nfs/dbraw/zinc/08/53/84/334085384.db2.gz XIMVJWZIDMALHX-UHFFFAOYSA-N -1 0 317.410 3.727 20 0 DHADRM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000294661481 334212205 /nfs/dbraw/zinc/21/22/05/334212205.db2.gz SXCSXRHEZQXGSD-CABZTGNLSA-N -1 0 318.200 3.843 20 0 DHADRM COc1cccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000111687703 334353631 /nfs/dbraw/zinc/35/36/31/334353631.db2.gz HUJIYANNNSPFFL-UHFFFAOYSA-N -1 0 302.717 3.771 20 0 DHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(CC(C)C)CC(C)C)c1 ZINC000341772336 334475053 /nfs/dbraw/zinc/47/50/53/334475053.db2.gz LQKGXZHOEZMTAO-QFIPXVFZSA-N -1 0 323.502 3.552 20 0 DHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000342567186 334551293 /nfs/dbraw/zinc/55/12/93/334551293.db2.gz MFWJXYYBMCXSLE-GFCCVEGCSA-N -1 0 323.389 3.578 20 0 DHADRM CCC[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000062457168 334737801 /nfs/dbraw/zinc/73/78/01/334737801.db2.gz 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3.761 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1)C(=O)[O-] ZINC000191423345 335744992 /nfs/dbraw/zinc/74/49/92/335744992.db2.gz HVJZOTVSBZIGMU-GFCCVEGCSA-N -1 0 322.364 3.683 20 0 DHADRM CCc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000536093822 335819360 /nfs/dbraw/zinc/81/93/60/335819360.db2.gz ATTCLAYFRUPMKQ-UHFFFAOYSA-N -1 0 317.197 3.970 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000013168183 335848061 /nfs/dbraw/zinc/84/80/61/335848061.db2.gz SMKFATJDHQPEOD-UHFFFAOYSA-N -1 0 303.402 3.501 20 0 DHADRM CCN(Cc1csc([C@@H](C)OC)n1)c1cccc(C(=O)[O-])c1 ZINC000519553711 335876457 /nfs/dbraw/zinc/87/64/57/335876457.db2.gz RWJMRMHLIOPMTF-LLVKDONJSA-N -1 0 320.414 3.575 20 0 DHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000350946416 335977963 /nfs/dbraw/zinc/97/79/63/335977963.db2.gz ZGMZJLJLALALEC-UHFFFAOYSA-N -1 0 324.210 3.561 20 0 DHADRM CC(C)Oc1ccc(N(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000192266492 336024231 /nfs/dbraw/zinc/02/42/31/336024231.db2.gz 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313.328 3.503 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000237674931 337469267 /nfs/dbraw/zinc/46/92/67/337469267.db2.gz KXBUPJQNFKNWHT-NOZJJQNGSA-N -1 0 323.801 3.593 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237754748 337469379 /nfs/dbraw/zinc/46/93/79/337469379.db2.gz ZZQJFFRHYGVZFC-HNNXBMFYSA-N -1 0 323.348 3.605 20 0 DHADRM CCc1ccc([C@@H](COC)N=c2nc(C3CCCC3)[n-]s2)o1 ZINC000420606598 337508511 /nfs/dbraw/zinc/50/85/11/337508511.db2.gz XQLJJMIRJHWOPO-CYBMUJFWSA-N -1 0 321.446 3.573 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000571761862 337575367 /nfs/dbraw/zinc/57/53/67/337575367.db2.gz WNPHFLWIUYPGGZ-LBPRGKRZSA-N -1 0 321.442 3.912 20 0 DHADRM C/C=C/COc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)cc1 ZINC000572016438 337586303 /nfs/dbraw/zinc/58/63/03/337586303.db2.gz VURQHAPHRAIEOU-NSCUHMNNSA-N -1 0 312.369 3.540 20 0 DHADRM CC(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000320391283 337596255 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ZINC000262114157 337615189 /nfs/dbraw/zinc/61/51/89/337615189.db2.gz FRGJPIXZBSHQBB-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000262234851 337616042 /nfs/dbraw/zinc/61/60/42/337616042.db2.gz SWHUQSOHTWASNL-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2=C(C)CCC2)cc1 ZINC000262201308 337616401 /nfs/dbraw/zinc/61/64/01/337616401.db2.gz QXYREWFKEYIXFT-OAHLLOKOSA-N -1 0 319.426 3.541 20 0 DHADRM O=C([O-])Cn1ccc2cc(NC(=O)CC3CCCCC3)ccc21 ZINC000262497500 337618673 /nfs/dbraw/zinc/61/86/73/337618673.db2.gz HMEPPBYDOGVVTQ-UHFFFAOYSA-N -1 0 314.385 3.635 20 0 DHADRM O=C([O-])c1cc(Cn2cc(-c3ccc(C4CCC4)cc3)cn2)on1 ZINC000572379319 337619199 /nfs/dbraw/zinc/61/91/99/337619199.db2.gz BWISVQPTLFDEQO-UHFFFAOYSA-N -1 0 323.352 3.552 20 0 DHADRM CCCc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262679539 337620418 /nfs/dbraw/zinc/62/04/18/337620418.db2.gz ZJPVUGZPSMKEKU-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262679662 337620446 /nfs/dbraw/zinc/62/04/46/337620446.db2.gz ADEUHRMJMMJEJK-JHJVBQTASA-N -1 0 323.820 3.750 20 0 DHADRM O=C(CC1(C(=O)[O-])CCC1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000262721621 337620881 /nfs/dbraw/zinc/62/08/81/337620881.db2.gz FCZAHSCODNSUKQ-INIZCTEOSA-N -1 0 315.413 3.679 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262743990 337620927 /nfs/dbraw/zinc/62/09/27/337620927.db2.gz HIZYSJICIUEIFZ-NEPJUHHUSA-N -1 0 309.431 3.625 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262814069 337621593 /nfs/dbraw/zinc/62/15/93/337621593.db2.gz PKEPBDISMLVAJQ-OGWOLHLISA-N -1 0 317.429 3.638 20 0 DHADRM C/C=C/C[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000262837662 337621907 /nfs/dbraw/zinc/62/19/07/337621907.db2.gz STNSKBXOQMISMJ-URWSZGRFSA-N -1 0 315.369 3.507 20 0 DHADRM CC1(C)CCC(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000262842517 337621957 /nfs/dbraw/zinc/62/19/57/337621957.db2.gz AHAWAQFWMBXJTQ-OAHLLOKOSA-N -1 0 309.450 3.839 20 0 DHADRM CC1=C(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CCC1 ZINC000262848748 337621977 /nfs/dbraw/zinc/62/19/77/337621977.db2.gz BEYMZCIOVFBPOA-KRWDZBQOSA-N -1 0 309.365 3.582 20 0 DHADRM Cc1ccc2oc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000262851078 337622020 /nfs/dbraw/zinc/62/20/20/337622020.db2.gz BRMHHWXIEALCRM-SCLBCKFNSA-N -1 0 315.369 3.505 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000262950984 337622582 /nfs/dbraw/zinc/62/25/82/337622582.db2.gz ITLQQUVREWDCDZ-DLBZAZTESA-N -1 0 315.413 3.560 20 0 DHADRM CCc1cccc(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263047052 337623566 /nfs/dbraw/zinc/62/35/66/337623566.db2.gz DOEQTCABZFXFKF-CYBMUJFWSA-N -1 0 311.381 3.618 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000263069790 337624031 /nfs/dbraw/zinc/62/40/31/337624031.db2.gz UBVIDVMAIMYPFA-CQSZACIVSA-N -1 0 313.353 3.519 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCC(C)(C)c1ccccc1 ZINC000263098643 337624383 /nfs/dbraw/zinc/62/43/83/337624383.db2.gz VWFJRRIFPLSBSS-LJQANCHMSA-N -1 0 319.445 3.750 20 0 DHADRM Cc1cc2ccccc2c(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000263133234 337624810 /nfs/dbraw/zinc/62/48/10/337624810.db2.gz YPNYMHAQMUOWEO-UHFFFAOYSA-N -1 0 314.385 3.913 20 0 DHADRM CCCc1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000263188741 337625248 /nfs/dbraw/zinc/62/52/48/337625248.db2.gz IFTKMJHLFQBWIU-JTQLQIEISA-N -1 0 318.398 3.536 20 0 DHADRM CC(C)c1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000263198562 337625306 /nfs/dbraw/zinc/62/53/06/337625306.db2.gz UQWHUWMRVGLZHN-JTQLQIEISA-N -1 0 309.793 3.541 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263243025 337625842 /nfs/dbraw/zinc/62/58/42/337625842.db2.gz UGGQMGVDGGVJHH-RMLGOWPTSA-N -1 0 315.413 3.535 20 0 DHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263275786 337625980 /nfs/dbraw/zinc/62/59/80/337625980.db2.gz WPJPDRNCSILRRX-QGZVFWFLSA-N -1 0 323.392 3.793 20 0 DHADRM CC(C)c1ccc(C[C@H](C)NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263292172 337626235 /nfs/dbraw/zinc/62/62/35/337626235.db2.gz RGKFIDKMZWGBGP-AWEZNQCLSA-N -1 0 317.429 3.502 20 0 DHADRM O=C([O-])CCCCC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000263326460 337626434 /nfs/dbraw/zinc/62/64/34/337626434.db2.gz SXDNZOCIFNSPJX-UHFFFAOYSA-N -1 0 323.820 3.871 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000263323215 337626446 /nfs/dbraw/zinc/62/64/46/337626446.db2.gz NZYQKNCMCUYNSW-LBPRGKRZSA-N -1 0 309.365 3.616 20 0 DHADRM CCc1ccccc1CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263321843 337626447 /nfs/dbraw/zinc/62/64/47/337626447.db2.gz NTRCDZGZKXIOGC-ZDUSSCGKSA-N -1 0 311.381 3.618 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000263339873 337626475 /nfs/dbraw/zinc/62/64/75/337626475.db2.gz RQQIPQYUNSSFNH-UHFFFAOYSA-N -1 0 323.392 3.713 20 0 DHADRM C[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccsc1 ZINC000263338463 337626578 /nfs/dbraw/zinc/62/65/78/337626578.db2.gz RJKIWCNHOYKVFS-MNOVXSKESA-N -1 0 303.383 3.678 20 0 DHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)sc1C ZINC000263365949 337626976 /nfs/dbraw/zinc/62/69/76/337626976.db2.gz ZWSYGKXTPHLIGR-JTQLQIEISA-N -1 0 303.383 3.805 20 0 DHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)C[C@H]1C=CCC1 ZINC000263400032 337627845 /nfs/dbraw/zinc/62/78/45/337627845.db2.gz IQGMYYAJYUKMEF-HOTGVXAUSA-N -1 0 307.434 3.663 20 0 DHADRM CCc1c(C)sc(NC(=O)Cc2cccc(F)c2)c1C(=O)[O-] ZINC000263443730 337629197 /nfs/dbraw/zinc/62/91/97/337629197.db2.gz MWPOLKCORWALQI-UHFFFAOYSA-N -1 0 321.373 3.637 20 0 DHADRM O=C([O-])C1CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000263448912 337629535 /nfs/dbraw/zinc/62/95/35/337629535.db2.gz YWWQAJDLOHZWEO-UHFFFAOYSA-N -1 0 321.726 3.655 20 0 DHADRM CCCOc1cc(C)ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263473896 337630015 /nfs/dbraw/zinc/63/00/15/337630015.db2.gz IPHGAGSKCZAJPZ-UHFFFAOYSA-N -1 0 322.405 3.549 20 0 DHADRM C[C@H](CCc1ccc(O)cc1)Nc1cccc(CCC(=O)[O-])c1 ZINC000263495072 337630594 /nfs/dbraw/zinc/63/05/94/337630594.db2.gz JLYBZEOIJPGUBW-CQSZACIVSA-N -1 0 313.397 3.843 20 0 DHADRM C[C@H](CCC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000263519414 337631089 /nfs/dbraw/zinc/63/10/89/337631089.db2.gz GKZGJMKUFYXHJX-OAHLLOKOSA-N -1 0 317.429 3.722 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCCC3(CCCCC3)CC2)C1 ZINC000263568752 337633081 /nfs/dbraw/zinc/63/30/81/337633081.db2.gz HDDAOAPQXKNNGA-HOTGVXAUSA-N -1 0 321.461 3.840 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000325571855 337733895 /nfs/dbraw/zinc/73/38/95/337733895.db2.gz YYCDNKDPZNMCMU-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM Cc1cscc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000533039471 337807628 /nfs/dbraw/zinc/80/76/28/337807628.db2.gz KLFZLCNKTWBASY-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM C/C=C\c1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000424388928 337830021 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ZINC000236640162 341191479 /nfs/dbraw/zinc/19/14/79/341191479.db2.gz PDOAAWQTTMWNRJ-INIZCTEOSA-N -1 0 303.402 3.816 20 0 DHADRM Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000236730500 341197216 /nfs/dbraw/zinc/19/72/16/341197216.db2.gz HWFSSSSVIMNRAV-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000236971492 341205231 /nfs/dbraw/zinc/20/52/31/341205231.db2.gz BHVAYPHLSWBCPV-UHFFFAOYSA-N -1 0 309.431 3.879 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237753853 341219695 /nfs/dbraw/zinc/21/96/95/341219695.db2.gz UQNSSEGZTVYIAX-UHFFFAOYSA-N -1 0 323.348 3.678 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000237798729 341220912 /nfs/dbraw/zinc/22/09/12/341220912.db2.gz RMEGAYOWRAHCSN-GOSISDBHSA-N -1 0 323.392 3.979 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1 ZINC000238013812 341224665 /nfs/dbraw/zinc/22/46/65/341224665.db2.gz DGVWCWFTINQRRF-UHFFFAOYSA-N -1 0 321.376 3.857 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000238140949 341226915 /nfs/dbraw/zinc/22/69/15/341226915.db2.gz LGKZEZUOCUHGDV-UHFFFAOYSA-N -1 0 309.774 3.671 20 0 DHADRM O=c1nc(-c2ccccc2)[n-]c2c(-c3ccccc3)nsc21 ZINC000547702204 341227551 /nfs/dbraw/zinc/22/75/51/341227551.db2.gz NTSJWAVYESZMLZ-UHFFFAOYSA-N -1 0 305.362 3.714 20 0 DHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1cc(F)cc(Cl)c1 ZINC000547821931 341234962 /nfs/dbraw/zinc/23/49/62/341234962.db2.gz OQHKWPMBARDFPJ-UHFFFAOYSA-N -1 0 324.764 3.761 20 0 DHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1C1CC1 ZINC000548137781 341248759 /nfs/dbraw/zinc/24/87/59/341248759.db2.gz RFHXREIYTRKNII-UHFFFAOYSA-N -1 0 301.386 3.846 20 0 DHADRM Cc1cc(/C=C/c2cc(C(=O)[O-])ncn2)cc(C)c1OC(F)F ZINC000548901922 341280354 /nfs/dbraw/zinc/28/03/54/341280354.db2.gz BFCCSHSZENMRST-ONEGZZNKSA-N -1 0 320.295 3.563 20 0 DHADRM O=C([O-])c1ccc2oc(/C=C/c3c(F)cccc3F)nc2c1 ZINC000549619999 341299320 /nfs/dbraw/zinc/29/93/20/341299320.db2.gz VYIGSJMQMCEFPE-FNORWQNLSA-N -1 0 301.248 3.975 20 0 DHADRM Cc1cnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000081933285 341310355 /nfs/dbraw/zinc/31/03/55/341310355.db2.gz AAJUDLJNOPPZGJ-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1nn(CC)c2ccccc12 ZINC000551422430 341341202 /nfs/dbraw/zinc/34/12/02/341341202.db2.gz BBWAUSSTEUXPML-UHFFFAOYSA-N -1 0 323.396 3.929 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])[C@@H]2CCCC[C@H]21 ZINC000248392598 341376299 /nfs/dbraw/zinc/37/62/99/341376299.db2.gz WFEJAQHZHNHLMS-OLUVUFQESA-N -1 0 311.784 3.835 20 0 DHADRM CC[C@H](Cc1ccc(NC(=O)N(C)CC(C)(C)C)cc1)C(=O)[O-] ZINC000554703799 341461625 /nfs/dbraw/zinc/46/16/25/341461625.db2.gz PWDCYNDECZWJBQ-CQSZACIVSA-N -1 0 320.433 3.850 20 0 DHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000565432376 341527205 /nfs/dbraw/zinc/52/72/05/341527205.db2.gz SFGHWORKVODQPF-UHFFFAOYSA-N -1 0 324.808 3.744 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])C(C)(C)C)c1 ZINC000565433439 341527240 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C[C@@H](Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1)C(=O)[O-] ZINC000568631563 341676885 /nfs/dbraw/zinc/67/68/85/341676885.db2.gz QRFSKGARALFGSJ-NSHDSACASA-N -1 0 313.353 3.673 20 0 DHADRM C[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000569021992 341688520 /nfs/dbraw/zinc/68/85/20/341688520.db2.gz QEUNXHJWSFJBRR-LRDDRELGSA-N -1 0 317.410 3.574 20 0 DHADRM CCc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1F ZINC000573727602 341737381 /nfs/dbraw/zinc/73/73/81/341737381.db2.gz BNYIKYBEYXGUOQ-UHFFFAOYSA-N -1 0 307.365 3.608 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cccc(C(F)F)c2)CCCCC1 ZINC000574030874 341746464 /nfs/dbraw/zinc/74/64/64/341746464.db2.gz NIQFSPQLWMVTIA-UHFFFAOYSA-N -1 0 311.328 3.532 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000574220850 341752378 /nfs/dbraw/zinc/75/23/78/341752378.db2.gz QCQFRMZFRJVZCE-GFCCVEGCSA-N -1 0 320.433 3.545 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@H](C)CC(=O)[O-])C1CC1 ZINC000574464275 341759426 /nfs/dbraw/zinc/75/94/26/341759426.db2.gz 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CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000236785144 519840439 /nfs/dbraw/zinc/84/04/39/519840439.db2.gz CUDVTACFDMAXRZ-IAGOWNOFSA-N -1 0 317.429 3.675 20 0 DHADRM CCCC(CCC)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000236769676 519883947 /nfs/dbraw/zinc/88/39/47/519883947.db2.gz KQJSAYKCKRPMMM-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM CCCn1ccc2cc(NC(=O)CCCCC(=O)[O-])ccc21 ZINC000263309903 521657095 /nfs/dbraw/zinc/65/70/95/521657095.db2.gz PBIPRHOZWRZWOU-UHFFFAOYSA-N -1 0 302.374 3.635 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000191402884 521720620 /nfs/dbraw/zinc/72/06/20/521720620.db2.gz ILOSUVGFIBFGOM-IUODEOHRSA-N -1 0 323.458 3.666 20 0 DHADRM CC[C@H](CC(=O)NCCCCCC(=O)[O-])c1ccc(C)cc1 ZINC000236928899 522099275 /nfs/dbraw/zinc/09/92/75/522099275.db2.gz AWCVAFOEGDYWHY-OAHLLOKOSA-N -1 0 305.418 3.640 20 0 DHADRM CCc1oc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000339086581 522997836 /nfs/dbraw/zinc/99/78/36/522997836.db2.gz AHWPYVFCRCUYOB-UHFFFAOYSA-N -1 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323.392 3.593 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccsc1)c1ccccc1 ZINC000736852217 600378601 /nfs/dbraw/zinc/37/86/01/600378601.db2.gz LXASUBOTGPABIY-HNNXBMFYSA-N -1 0 317.410 3.577 20 0 DHADRM O=C([O-])CN(C(=O)CC/C=C\c1ccccc1)c1ccccc1 ZINC000739781648 600380710 /nfs/dbraw/zinc/38/07/10/600380710.db2.gz LSLDKOJVKYQKGM-XFFZJAGNSA-N -1 0 309.365 3.598 20 0 DHADRM O=C(/C=C\c1ccnc2ccccc12)Nc1sccc1C(=O)[O-] ZINC000739215005 600382840 /nfs/dbraw/zinc/38/28/40/600382840.db2.gz HABAEUGGYDBYER-WAYWQWQTSA-N -1 0 324.361 3.646 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)/C=C/C2CCCCC2)cc1 ZINC000238025513 600383562 /nfs/dbraw/zinc/38/35/62/600383562.db2.gz JKDHUGNHHVCYBN-XYOKQWHBSA-N -1 0 301.386 3.779 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccn3c2)ccc1Cl ZINC000738510788 600383662 /nfs/dbraw/zinc/38/36/62/600383662.db2.gz HZQPWFKIMXRRRQ-UHFFFAOYSA-N -1 0 314.728 3.543 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736403731 600384799 /nfs/dbraw/zinc/38/47/99/600384799.db2.gz 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600585988 /nfs/dbraw/zinc/58/59/88/600585988.db2.gz KSTSMEVJZWOZRY-NEPJUHHUSA-N -1 0 317.410 3.763 20 0 DHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000736551807 600585989 /nfs/dbraw/zinc/58/59/89/600585989.db2.gz KSTSMEVJZWOZRY-RYUDHWBXSA-N -1 0 317.410 3.763 20 0 DHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000736549969 600586027 /nfs/dbraw/zinc/58/60/27/600586027.db2.gz BPASWJQCUJNFGF-NEPJUHHUSA-N -1 0 317.410 3.763 20 0 DHADRM CCOC(=O)c1oc2ccccc2c1CS[C@@H](C)CC(=O)[O-] ZINC000737157703 600588110 /nfs/dbraw/zinc/58/81/10/600588110.db2.gz VSLOJUPSKGHNNP-JTQLQIEISA-N -1 0 322.382 3.706 20 0 DHADRM CSCCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738141284 600588584 /nfs/dbraw/zinc/58/85/84/600588584.db2.gz XYDYXSADDXOJSS-UHFFFAOYSA-N -1 0 315.460 3.826 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1NC(=O)[O-])CC2 ZINC000738669175 600589965 /nfs/dbraw/zinc/58/99/65/600589965.db2.gz BQKIEKKOOOVAQH-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM 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CN(CC(C)(C)C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316276224 601093567 /nfs/dbraw/zinc/09/35/67/601093567.db2.gz BUPRATKSLCIHGB-UHFFFAOYSA-N -1 0 306.406 3.559 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321202876 601096609 /nfs/dbraw/zinc/09/66/09/601096609.db2.gz VAUFUJSORINWRF-CYBMUJFWSA-N -1 0 320.433 3.995 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1C(=O)[O-] ZINC000832944425 601137020 /nfs/dbraw/zinc/13/70/20/601137020.db2.gz FIKOEUVTNCXTOP-LLVKDONJSA-N -1 0 302.330 3.511 20 0 DHADRM Cc1ccc(NC(=O)N2CCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000397074695 601138660 /nfs/dbraw/zinc/13/86/60/601138660.db2.gz LFURGAYUSIQIEC-AWEZNQCLSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC000832947156 601139833 /nfs/dbraw/zinc/13/98/33/601139833.db2.gz VFTHDFDLYMVADV-ZDUSSCGKSA-N -1 0 324.380 3.844 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828160699 601139912 /nfs/dbraw/zinc/13/99/12/601139912.db2.gz JJKHBBJRJFARAL-BXUZGUMPSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)C[C@H](OC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000826815027 601142550 /nfs/dbraw/zinc/14/25/50/601142550.db2.gz WTELRBNNRJASDD-BDAKNGLRSA-N -1 0 304.795 3.548 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000832945808 601143370 /nfs/dbraw/zinc/14/33/70/601143370.db2.gz YWRSWMYYLYXSKA-DGCLKSJQSA-N -1 0 304.390 3.736 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000111471654 601145227 /nfs/dbraw/zinc/14/52/27/601145227.db2.gz BQWKFMWJCHZQEA-RKDXNWHRSA-N -1 0 316.184 3.823 20 0 DHADRM C/C(=C/CN1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736049 601166542 /nfs/dbraw/zinc/16/65/42/601166542.db2.gz USFULRJDOJTENX-PINLSGDHSA-N -1 0 323.820 3.523 20 0 DHADRM C/C=C(/C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828535215 601174970 /nfs/dbraw/zinc/17/49/70/601174970.db2.gz YRWNYJCQTPJFMO-KGHNQEBZSA-N -1 0 303.141 3.629 20 0 DHADRM C/C=C(\C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828534913 601175708 /nfs/dbraw/zinc/17/57/08/601175708.db2.gz SQPMVWCIFDLPKP-XCVCLJGOSA-N -1 0 317.366 3.518 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000324177908 601196298 /nfs/dbraw/zinc/19/62/98/601196298.db2.gz LWJLFQTVXXFJJE-INIZCTEOSA-N -1 0 320.433 3.885 20 0 DHADRM CN(Cc1cc2ccccc2o1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000830811095 601202060 /nfs/dbraw/zinc/20/20/60/601202060.db2.gz MIFRKIDINWQEBI-UHFFFAOYSA-N -1 0 322.773 3.877 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000314389373 601206884 /nfs/dbraw/zinc/20/68/84/601206884.db2.gz AUBSUDMVEQAWTH-GHMZBOCLSA-N -1 0 306.749 3.748 20 0 DHADRM Cc1ccc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1F ZINC000320689371 601207110 /nfs/dbraw/zinc/20/71/10/601207110.db2.gz MKMHEXALRFCWAM-VXGBXAGGSA-N -1 0 304.321 3.543 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1ccc(Br)c(F)c1 ZINC000721945430 601208230 /nfs/dbraw/zinc/20/82/30/601208230.db2.gz ZFTHBJCJCCYCJK-ZETCQYMHSA-N -1 0 307.184 3.685 20 0 DHADRM C[C@H](SC[C@H](O)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827907909 601208280 /nfs/dbraw/zinc/20/82/80/601208280.db2.gz CBPNFDGGVCTCPD-IONNQARKSA-N -1 0 309.214 3.623 20 0 DHADRM CCOc1ccc(OCCOc2ccccc2NC(=O)[O-])cc1 ZINC000830088971 601228414 /nfs/dbraw/zinc/22/84/14/601228414.db2.gz RZWJYCXCUNLZKU-UHFFFAOYSA-N -1 0 317.341 3.633 20 0 DHADRM O=C([O-])c1cc(NCc2ccccc2Br)ccc1F ZINC000037088532 601246273 /nfs/dbraw/zinc/24/62/73/601246273.db2.gz BFQHNGSVDXMHRP-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1ccc(Cl)s1 ZINC000832900864 601248491 /nfs/dbraw/zinc/24/84/91/601248491.db2.gz QRDMXQLKWNIYCE-UHFFFAOYSA-N -1 0 311.790 3.785 20 0 DHADRM O=C([O-])NCc1ccc(NCCOc2ccccc2Cl)cc1 ZINC000833280482 601250543 /nfs/dbraw/zinc/25/05/43/601250543.db2.gz JTIPHLLDOGEFJE-UHFFFAOYSA-N -1 0 320.776 3.599 20 0 DHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000832874988 601271374 /nfs/dbraw/zinc/27/13/74/601271374.db2.gz RBPULLCPUKVCRJ-UHFFFAOYSA-N -1 0 324.380 3.986 20 0 DHADRM COc1ccc(OCCNc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000071701433 601271427 /nfs/dbraw/zinc/27/14/27/601271427.db2.gz LWBRVNNUAWJTJW-UHFFFAOYSA-N -1 0 321.760 3.538 20 0 DHADRM CCC1CCC(NC(=O)c2coc3ccccc23)(C(=O)[O-])CC1 ZINC000336867302 601275569 /nfs/dbraw/zinc/27/55/69/601275569.db2.gz LUYAVCYOCYEIRZ-UHFFFAOYSA-N -1 0 315.369 3.586 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)o1 ZINC000832872207 601276179 /nfs/dbraw/zinc/27/61/79/601276179.db2.gz LVFQXDUCUDYXDD-UHFFFAOYSA-N -1 0 319.382 3.787 20 0 DHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)CCC2CCC2)c1 ZINC000833096404 601276823 /nfs/dbraw/zinc/27/68/23/601276823.db2.gz GZAIVCBLQPFHMV-UHFFFAOYSA-N -1 0 316.401 3.504 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C/c2cccc(F)c2)c(F)c1 ZINC000833095843 601283950 /nfs/dbraw/zinc/28/39/50/601283950.db2.gz BCPALVXZPPXRDT-DUXPYHPUSA-N -1 0 317.291 3.705 20 0 DHADRM Cc1cscc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673968 601287475 /nfs/dbraw/zinc/28/74/75/601287475.db2.gz HHBKMTAUMDIEPS-CYBMUJFWSA-N -1 0 323.801 3.656 20 0 DHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828150953 601296260 /nfs/dbraw/zinc/29/62/60/601296260.db2.gz SHCGDWCLIBHAEU-UKRRQHHQSA-N -1 0 324.380 3.795 20 0 DHADRM Cc1cccc(-c2noc(CNc3ccc(C)c(C(=O)[O-])c3)n2)c1 ZINC000832961277 601302972 /nfs/dbraw/zinc/30/29/72/601302972.db2.gz RWBYRFFAVZNURV-UHFFFAOYSA-N -1 0 323.352 3.664 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262188478 601307343 /nfs/dbraw/zinc/30/73/43/601307343.db2.gz YLRTZZLKSMJVIL-WDEREUQCSA-N -1 0 323.355 3.505 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1ccc(Cl)s1 ZINC000776680911 601308829 /nfs/dbraw/zinc/30/88/29/601308829.db2.gz KGNYLBXYQGTAPT-SOFGYWHQSA-N -1 0 315.822 3.564 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(C)cc1 ZINC000828770157 601318045 /nfs/dbraw/zinc/31/80/45/601318045.db2.gz DSLKPYGBXWYFJM-ZDUSSCGKSA-N -1 0 314.385 3.554 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828201094 601334443 /nfs/dbraw/zinc/33/44/43/601334443.db2.gz PAVKHXUCAQCCBS-TYNCELHUSA-N -1 0 317.389 3.961 20 0 DHADRM Cc1ccc(F)c(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832935929 601339172 /nfs/dbraw/zinc/33/91/72/601339172.db2.gz QBRCJCDMFSQTJX-UHFFFAOYSA-N -1 0 318.373 3.950 20 0 DHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827853799 601339590 /nfs/dbraw/zinc/33/95/90/601339590.db2.gz NLSRDSOZKINPCJ-SNVBAGLBSA-N -1 0 317.341 3.588 20 0 DHADRM C[C@@H](SCCCOc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000827908984 601345437 /nfs/dbraw/zinc/34/54/37/601345437.db2.gz PMQLCXYEBOCSOI-SECBINFHSA-N -1 0 308.321 3.681 20 0 DHADRM O=C([O-])c1ccc(OC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000833096904 601349580 /nfs/dbraw/zinc/34/95/80/601349580.db2.gz WNEVDJRDLSHKEH-OWOJBTEDSA-N -1 0 300.285 3.533 20 0 DHADRM CCc1cnc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000830290637 601356538 /nfs/dbraw/zinc/35/65/38/601356538.db2.gz VHQWJIRWARULJU-CQSZACIVSA-N -1 0 324.833 3.617 20 0 DHADRM O=C([O-])Nc1ccccc1OCc1ccccc1OC(F)F ZINC000833288060 601368132 /nfs/dbraw/zinc/36/81/32/601368132.db2.gz RLSVSENPWJNXMR-UHFFFAOYSA-N -1 0 309.268 3.957 20 0 DHADRM CCOc1ccc(OCC)c(NCc2cc(C(=O)[O-])oc2C)c1 ZINC000323043320 601389925 /nfs/dbraw/zinc/38/99/25/601389925.db2.gz ANARMMGXVUGDFT-UHFFFAOYSA-N -1 0 319.357 3.696 20 0 DHADRM COc1ccc(OC(C)C)c(NCc2cc(C(=O)[O-])oc2C)c1 ZINC000832425177 601391471 /nfs/dbraw/zinc/39/14/71/601391471.db2.gz QGWPMKNRPPFSAV-UHFFFAOYSA-N -1 0 319.357 3.694 20 0 DHADRM CCc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262538682 601392190 /nfs/dbraw/zinc/39/21/90/601392190.db2.gz UPKMLHMWAFKSTO-BXUZGUMPSA-N -1 0 317.410 3.502 20 0 DHADRM Cc1cnc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000832985894 601393243 /nfs/dbraw/zinc/39/32/43/601393243.db2.gz QRWJKBPVLATLAW-SKDRFNHKSA-N -1 0 310.806 3.581 20 0 DHADRM C/C(=C\C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000271299134 601402495 /nfs/dbraw/zinc/40/24/95/601402495.db2.gz UEOVOSXPKHQTEB-PKNBQFBNSA-N 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/nfs/dbraw/zinc/42/68/02/601426802.db2.gz WSULFIDJNKHHOY-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1c(F)cccc1Cl ZINC000827695767 601426888 /nfs/dbraw/zinc/42/68/88/601426888.db2.gz WSULFIDJNKHHOY-VIFPVBQESA-N -1 0 321.735 3.668 20 0 DHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827934283 601437661 /nfs/dbraw/zinc/43/76/61/601437661.db2.gz DGKORCNGUKSGSU-ISVAXAHUSA-N -1 0 306.164 3.553 20 0 DHADRM O=C([O-])c1cccc(OC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000833096361 601440552 /nfs/dbraw/zinc/44/05/52/601440552.db2.gz MUAMXMTWHYXYIU-DJWKRKHSSA-N -1 0 300.285 3.533 20 0 DHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000828763793 601440995 /nfs/dbraw/zinc/44/09/95/601440995.db2.gz CPTVMAUHMWSQCF-JTQLQIEISA-N -1 0 319.382 3.876 20 0 DHADRM Cc1cc(NC(=O)C/C=C\c2cccc(F)c2)sc1C(=O)[O-] ZINC000832893189 601442132 /nfs/dbraw/zinc/44/21/32/601442132.db2.gz KQHGJKTVZZXSMX-HYXAFXHYSA-N -1 0 319.357 3.936 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000828638532 601456331 /nfs/dbraw/zinc/45/63/31/601456331.db2.gz QKWIBHHBQHNWNX-FQEVSTJZSA-N -1 0 323.392 3.631 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccccc1Cl ZINC000830390452 601458854 /nfs/dbraw/zinc/45/88/54/601458854.db2.gz HPFXLAPPSPSSLS-UHFFFAOYSA-N -1 0 308.717 3.551 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1ccccc1F ZINC000830379430 601466058 /nfs/dbraw/zinc/46/60/58/601466058.db2.gz VVZMMKYLDSGNGU-JTQLQIEISA-N -1 0 320.316 3.526 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000761649008 601466710 /nfs/dbraw/zinc/46/67/10/601466710.db2.gz IMKYLEQIAFRKQJ-LJQANCHMSA-N -1 0 324.380 3.694 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc2ccccc2c1 ZINC000767055272 601467158 /nfs/dbraw/zinc/46/71/58/601467158.db2.gz FSKIADSTFAEFIJ-LJQANCHMSA-N -1 0 313.397 3.532 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C/C=C\c1ccc(F)cc1 ZINC000833026237 601470869 /nfs/dbraw/zinc/47/08/69/601470869.db2.gz 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601654085 /nfs/dbraw/zinc/65/40/85/601654085.db2.gz WFDRPPODODDWEI-QWHCGFSZSA-N -1 0 315.394 3.572 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1csc2c1CCCC2 ZINC000238104380 601662995 /nfs/dbraw/zinc/66/29/95/601662995.db2.gz WUAZPDBJHQXZKU-UHFFFAOYSA-N -1 0 315.394 3.506 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833285940 601668229 /nfs/dbraw/zinc/66/82/29/601668229.db2.gz MASOTLZLESWRGU-CJNGLKHVSA-N -1 0 310.353 3.594 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000828763785 601673194 /nfs/dbraw/zinc/67/31/94/601673194.db2.gz CEEGAWDXROPJBI-NHYWBVRUSA-N -1 0 317.410 3.817 20 0 DHADRM CC[C@H](C)CS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828753466 601677650 /nfs/dbraw/zinc/67/76/50/601677650.db2.gz OVTWNQRYLMMTPY-CMPLNLGQSA-N -1 0 309.431 3.800 20 0 DHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832871193 601692707 /nfs/dbraw/zinc/69/27/07/601692707.db2.gz QTFYGAWPGGAVNN-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)CC(C)(C)C ZINC000827227420 601743937 /nfs/dbraw/zinc/74/39/37/601743937.db2.gz ZGQUTTKYAHMREU-ABAIWWIYSA-N -1 0 309.381 3.530 20 0 DHADRM CCC1(CC)CCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000829056673 601790902 /nfs/dbraw/zinc/79/09/02/601790902.db2.gz YXOALZJPPJCYGU-UHFFFAOYSA-N -1 0 323.368 3.960 20 0 DHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C(C)(C)CC(C)C ZINC000831972625 601801405 /nfs/dbraw/zinc/80/14/05/601801405.db2.gz NNRFTWNTSRJMIK-CLFYSBASSA-N -1 0 320.385 3.771 20 0 DHADRM CCCCCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829304479 601801540 /nfs/dbraw/zinc/80/15/40/601801540.db2.gz GEBXEVSZXLNIFP-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CCC(CC)(NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000828820205 601804567 /nfs/dbraw/zinc/80/45/67/601804567.db2.gz DTOSNTREZUKSMZ-CYBMUJFWSA-N -1 0 313.397 3.703 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000828618651 601805443 /nfs/dbraw/zinc/80/54/43/601805443.db2.gz 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Cc1ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000832947922 601883619 /nfs/dbraw/zinc/88/36/19/601883619.db2.gz XTVMLOJXHSISKK-GJZGRUSLSA-N -1 0 304.390 3.540 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000828422903 601884814 /nfs/dbraw/zinc/88/48/14/601884814.db2.gz JOCMKUADLIPFBN-JRPNMDOOSA-N -1 0 321.398 3.562 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000832971460 601886026 /nfs/dbraw/zinc/88/60/26/601886026.db2.gz ZNGXPJMPSOMYFI-HUUCEWRRSA-N -1 0 304.390 3.540 20 0 DHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000538514376 601912975 /nfs/dbraw/zinc/91/29/75/601912975.db2.gz AMNWJMSEEGUWAC-IAGOWNOFSA-N -1 0 317.429 3.549 20 0 DHADRM CSc1ccccc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262667630 601915240 /nfs/dbraw/zinc/91/52/40/601915240.db2.gz PNLDALMMNWBPHL-JSGCOSHPSA-N -1 0 321.442 3.562 20 0 DHADRM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000561501479 601925255 /nfs/dbraw/zinc/92/52/55/601925255.db2.gz 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YUDSDFXIAWXNPZ-UHFFFAOYSA-N -1 0 324.340 3.580 20 0 DHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739223600 602607524 /nfs/dbraw/zinc/60/75/24/602607524.db2.gz IUIWFWAINBPBNG-VXGBXAGGSA-N -1 0 319.405 3.673 20 0 DHADRM COc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])c(Cl)c1 ZINC000739880316 602625636 /nfs/dbraw/zinc/62/56/36/602625636.db2.gz AVILSILQOHTKDD-UHFFFAOYSA-N -1 0 320.732 3.691 20 0 DHADRM Cc1ccccc1N(C(=O)CCC(C)(C)NC(=O)[O-])C(C)C ZINC000740186810 602804670 /nfs/dbraw/zinc/80/46/70/602804670.db2.gz SIFNXHKMIZPWKB-UHFFFAOYSA-N -1 0 306.406 3.563 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738744783 602807894 /nfs/dbraw/zinc/80/78/94/602807894.db2.gz QEPRUNDQKDWXQA-UHFFFAOYSA-N -1 0 322.405 3.629 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739235376 602810432 /nfs/dbraw/zinc/81/04/32/602810432.db2.gz JGBXEBRJCVJJHZ-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1ccc(C[C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738589549 602814288 /nfs/dbraw/zinc/81/42/88/602814288.db2.gz OXPWNBJOFSOKJH-JTQLQIEISA-N -1 0 318.398 3.507 20 0 DHADRM COc1cc(NC(=O)NC[C@@H](C)C(C)(C)C)ccc1NC(=O)[O-] ZINC000739872358 602822959 /nfs/dbraw/zinc/82/29/59/602822959.db2.gz UYUVMMTZENUBDC-SNVBAGLBSA-N -1 0 323.393 3.589 20 0 DHADRM C[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C(C)(C)C ZINC000738921424 602823874 /nfs/dbraw/zinc/82/38/74/602823874.db2.gz UOEMDSBNVIHITI-LLVKDONJSA-N -1 0 319.405 3.531 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000830252275 602825089 /nfs/dbraw/zinc/82/50/89/602825089.db2.gz WWXQNYFPHDAWOJ-SECBINFHSA-N -1 0 306.293 3.559 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000830062523 602825233 /nfs/dbraw/zinc/82/52/33/602825233.db2.gz VSYPHWAYHQNNBB-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM Cc1ccc(C(=O)N(C2CC2)C2CCCC2)cc1NC(=O)[O-] ZINC000830182315 602849961 /nfs/dbraw/zinc/84/99/61/602849961.db2.gz YJDVKKMEMWLTPH-UHFFFAOYSA-N -1 0 302.374 3.632 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000825677460 602857194 /nfs/dbraw/zinc/85/71/94/602857194.db2.gz GOZCLXBTWUFEAI-IBGZPJMESA-N -1 0 324.380 3.910 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)c2ccsc2)n1 ZINC000738816058 602930171 /nfs/dbraw/zinc/93/01/71/602930171.db2.gz IULVFYLCFKCVJM-KOLCDFICSA-N -1 0 309.391 3.638 20 0 DHADRM CCSc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cn1 ZINC000737229435 602957115 /nfs/dbraw/zinc/95/71/15/602957115.db2.gz LELLICUYFJNVHV-UHFFFAOYSA-N -1 0 318.354 3.503 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)Cc2cccc(Cl)c2)cc1 ZINC000738668680 602959583 /nfs/dbraw/zinc/95/95/83/602959583.db2.gz FLNHWRAAAICITP-UHFFFAOYSA-N -1 0 305.717 3.578 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000738669009 602964243 /nfs/dbraw/zinc/96/42/43/602964243.db2.gz HLUZVHNWYRTXEH-UHFFFAOYSA-N -1 0 305.717 3.578 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2ccccc2OC(F)F)cc1 ZINC000738668349 602967035 /nfs/dbraw/zinc/96/70/35/602967035.db2.gz GVCCYUQWBAQZGU-UHFFFAOYSA-N -1 0 323.251 3.597 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736940842 602996415 /nfs/dbraw/zinc/99/64/15/602996415.db2.gz STBYMXQGSDPYJU-GFCCVEGCSA-N -1 0 305.378 3.821 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3ccccc3o2)n1 ZINC000738815052 603001656 /nfs/dbraw/zinc/00/16/56/603001656.db2.gz FPCDJWJZEGDBIU-NSHDSACASA-N -1 0 315.329 3.838 20 0 DHADRM COc1cc(NC(=O)/C=C\C2CCCCC2)ccc1NC(=O)[O-] ZINC000739866546 603006580 /nfs/dbraw/zinc/00/65/80/603006580.db2.gz ONJBFBDIRKHZHF-YFHOEESVSA-N -1 0 318.373 3.860 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)/C=C\C2CCCCC2)c1 ZINC000740707674 603007289 /nfs/dbraw/zinc/00/72/89/603007289.db2.gz SNTGPFIEEDJKLD-TWGQIWQCSA-N -1 0 306.337 3.991 20 0 DHADRM O=C([O-])Nc1ccc(Cc2nc(CCc3ccccc3)no2)cc1 ZINC000740706606 603008044 /nfs/dbraw/zinc/00/80/44/603008044.db2.gz XCTZWXPIIFAKAN-UHFFFAOYSA-N -1 0 323.352 3.536 20 0 DHADRM CCSc1cccc(NC(=O)CCN(C(=O)[O-])C(C)C)c1 ZINC000739518015 603032179 /nfs/dbraw/zinc/03/21/79/603032179.db2.gz NRMPTQDKQGSWFZ-UHFFFAOYSA-N -1 0 310.419 3.516 20 0 DHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(SCC)c1 ZINC000739293537 603033144 /nfs/dbraw/zinc/03/31/44/603033144.db2.gz DMQZCHGHKAJBAQ-OAHLLOKOSA-N -1 0 310.419 3.564 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738800954 603040503 /nfs/dbraw/zinc/04/05/03/603040503.db2.gz MPSDCWHDQPQZRR-CYBMUJFWSA-N -1 0 309.341 3.568 20 0 DHADRM Cc1ccc(C)c(CC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000830268785 603050663 /nfs/dbraw/zinc/05/06/63/603050663.db2.gz WDOKNHNUNLVENP-UHFFFAOYSA-N -1 0 313.353 3.566 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)c2ccccc2)cc1 ZINC000827899233 603051758 /nfs/dbraw/zinc/05/17/58/603051758.db2.gz CZMLXQADNVMMJN-UHFFFAOYSA-N -1 0 313.353 3.684 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1CSc2ccccc21 ZINC000740713823 603054490 /nfs/dbraw/zinc/05/44/90/603054490.db2.gz ASFIKQHNHXINLF-NSHDSACASA-N -1 0 314.366 3.605 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736760835 603087303 /nfs/dbraw/zinc/08/73/03/603087303.db2.gz FYENVYVEZRSHON-XUJVJEKNSA-N -1 0 302.374 3.570 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000739920808 603094197 /nfs/dbraw/zinc/09/41/97/603094197.db2.gz JARPVZSHZALSHP-LLVKDONJSA-N -1 0 320.389 3.940 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000826645614 603096991 /nfs/dbraw/zinc/09/69/91/603096991.db2.gz SOQROPUDZDZVAM-MRXNPFEDSA-N -1 0 308.353 3.568 20 0 DHADRM C[C@@H]1CC(NC(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H](C)C1 ZINC000736749283 603138882 /nfs/dbraw/zinc/13/88/82/603138882.db2.gz JAEFJQLIJPJCCE-QWRGUYRKSA-N -1 0 305.378 3.723 20 0 DHADRM CC(C)c1ccccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738878011 603149408 /nfs/dbraw/zinc/14/94/08/603149408.db2.gz UEJBZMPCYIHANH-OLZOCXBDSA-N -1 0 304.390 3.575 20 0 DHADRM CCCc1nc(COc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000826953767 603157881 /nfs/dbraw/zinc/15/78/81/603157881.db2.gz LMYVYFKSRDQVFU-UHFFFAOYSA-N -1 0 306.387 3.789 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000825415197 603170744 /nfs/dbraw/zinc/17/07/44/603170744.db2.gz DONPOWKBXOECIG-CYBMUJFWSA-N -1 0 312.369 3.587 20 0 DHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000829966426 603172052 /nfs/dbraw/zinc/17/20/52/603172052.db2.gz ZFORLGJAXLIWOT-SNVBAGLBSA-N -1 0 318.398 3.946 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nn(C)c3ccccc23)cc1 ZINC000825448630 603178350 /nfs/dbraw/zinc/17/83/50/603178350.db2.gz GCCSPWJSTRAVLI-GFCCVEGCSA-N -1 0 324.384 3.514 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000825449450 603189508 /nfs/dbraw/zinc/18/95/08/603189508.db2.gz QNUPQRJPYWGOBT-SNVBAGLBSA-N -1 0 318.760 3.921 20 0 DHADRM Cc1cccc(CC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830494154 603192494 /nfs/dbraw/zinc/19/24/94/603192494.db2.gz YOLRQCAZCOGIRS-ZDUSSCGKSA-N -1 0 312.369 3.505 20 0 DHADRM Cc1nc(Oc2ccc(NC(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000830775394 603196617 /nfs/dbraw/zinc/19/66/17/603196617.db2.gz OIHLDZWVDHMGCX-UHFFFAOYSA-N -1 0 322.324 3.729 20 0 DHADRM COc1ccccc1OC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739978655 603199903 /nfs/dbraw/zinc/19/99/03/603199903.db2.gz OHLMXOGEEWAFTJ-UHFFFAOYSA-N -1 0 321.716 3.658 20 0 DHADRM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739096866 603201154 /nfs/dbraw/zinc/20/11/54/603201154.db2.gz FIGACYXRMQJKFJ-TVQRCGJNSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000825989776 603202083 /nfs/dbraw/zinc/20/20/83/603202083.db2.gz YPFMQCGRZOSGAV-SCLBCKFNSA-N -1 0 324.380 3.539 20 0 DHADRM Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)[O-] ZINC000830219665 603210297 /nfs/dbraw/zinc/21/02/97/603210297.db2.gz GQRNOZCNEUXHRM-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)[O-] ZINC000830230761 603213602 /nfs/dbraw/zinc/21/36/02/603213602.db2.gz PIZQPWCCSWURSQ-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM CCSCc1cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c1 ZINC000739519828 603217688 /nfs/dbraw/zinc/21/76/88/603217688.db2.gz YQLWGFDMSSGFDS-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM CC(C)N(CC1CC1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738837380 603218805 /nfs/dbraw/zinc/21/88/05/603218805.db2.gz QTPYEVWBGUTHMF-UHFFFAOYSA-N -1 0 310.781 3.691 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000826768599 603231500 /nfs/dbraw/zinc/23/15/00/603231500.db2.gz IIMGQWVMEMXMIC-KRWDZBQOSA-N -1 0 304.390 3.819 20 0 DHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Oc1ccccc1 ZINC000829193125 603253876 /nfs/dbraw/zinc/25/38/76/603253876.db2.gz XPJMQTVHYCVYIE-UHFFFAOYSA-N -1 0 321.716 3.658 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830203914 603272152 /nfs/dbraw/zinc/27/21/52/603272152.db2.gz BSWCKRINGFOVTL-KRWDZBQOSA-N -1 0 324.380 3.966 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)o1 ZINC000740113348 603277818 /nfs/dbraw/zinc/27/78/18/603277818.db2.gz MSEZMXWACRDYPS-SECBINFHSA-N -1 0 322.748 3.822 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)o1 ZINC000740113349 603277845 /nfs/dbraw/zinc/27/78/45/603277845.db2.gz MSEZMXWACRDYPS-VIFPVBQESA-N -1 0 322.748 3.822 20 0 DHADRM Cc1ccsc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740197565 603298390 /nfs/dbraw/zinc/29/83/90/603298390.db2.gz SDBXRPRBVCIDJB-UHFFFAOYSA-N -1 0 316.382 3.591 20 0 DHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825888916 603310752 /nfs/dbraw/zinc/31/07/52/603310752.db2.gz RLMZGHPRKDHOFD-NWDGAFQWSA-N -1 0 305.378 3.819 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000826645760 603310782 /nfs/dbraw/zinc/31/07/82/603310782.db2.gz TVJXJGGZUFJIIR-MRXNPFEDSA-N -1 0 305.378 3.821 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CC1 ZINC000824543493 603325280 /nfs/dbraw/zinc/32/52/80/603325280.db2.gz ITWHRQUDOIQLAC-VIFPVBQESA-N -1 0 321.352 3.710 20 0 DHADRM CCN(C(=O)Nc1ccccc1CN(C)C(=O)[O-])[C@H](C)C(C)C ZINC000739381712 603335557 /nfs/dbraw/zinc/33/55/57/603335557.db2.gz 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CCN(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)[C@@H](C)C(C)C ZINC000826979553 603380506 /nfs/dbraw/zinc/38/05/06/603380506.db2.gz ISEYVJMWRZWPKB-STQMWFEESA-N -1 0 321.421 3.914 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCC2(C)CCCC2)cc1 ZINC000825434305 603384595 /nfs/dbraw/zinc/38/45/95/603384595.db2.gz PWUNJANTPCHIMI-GFCCVEGCSA-N -1 0 319.405 3.717 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000826675615 603386666 /nfs/dbraw/zinc/38/66/66/603386666.db2.gz NUSCONWQDWGSEJ-QWHCGFSZSA-N -1 0 319.405 3.669 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826735416 603386736 /nfs/dbraw/zinc/38/67/36/603386736.db2.gz NKJIZOWGXBICSN-WCQYABFASA-N -1 0 307.394 3.715 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824231487 603387401 /nfs/dbraw/zinc/38/74/01/603387401.db2.gz JFAPBHRGVNVIRS-STQMWFEESA-N -1 0 321.421 3.961 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000738630146 603411168 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CCCC(=CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)CCC ZINC001589627675 949516419 /nfs/dbraw/zinc/51/64/19/949516419.db2.gz ZOUWUJOELQNYJI-KRWDZBQOSA-N -1 0 315.413 3.724 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001589631751 949552369 /nfs/dbraw/zinc/55/23/69/949552369.db2.gz WJFZVWBQNXUURE-IMJJTQAJSA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CCCC1 ZINC001589634410 949593902 /nfs/dbraw/zinc/59/39/02/949593902.db2.gz SHBUNRYXPYWZNW-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM CCCC[C@@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(C)C ZINC001589639213 949652915 /nfs/dbraw/zinc/65/29/15/949652915.db2.gz OMGSJUQPRQSZMI-VQIMIIECSA-N -1 0 319.445 3.608 20 0 DHADRM CCCCC[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC001589642280 949704346 /nfs/dbraw/zinc/70/43/46/949704346.db2.gz MCDYOARTIXNFAJ-CYBMUJFWSA-N -1 0 312.454 3.536 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589644822 949712748 /nfs/dbraw/zinc/71/27/48/949712748.db2.gz 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O=C([O-])/C=C/c1cc(C(=O)Nc2cccc(C(F)F)c2)co1 ZINC001594972821 950873588 /nfs/dbraw/zinc/87/35/88/950873588.db2.gz YOJKEVNHZMCHGA-SNAWJCMRSA-N -1 0 307.252 3.567 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1cc(Cl)ccc1Cl ZINC001602853476 971700641 /nfs/dbraw/zinc/70/06/41/971700641.db2.gz VSTBOUYBOIZPMK-SNVBAGLBSA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000322848839 951038797 /nfs/dbraw/zinc/03/87/97/951038797.db2.gz OHHCKZXIXRSVRY-UHFFFAOYSA-N -1 0 317.429 3.701 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC001595011967 951250813 /nfs/dbraw/zinc/25/08/13/951250813.db2.gz CNTHMGKLAHAEMQ-QGZVFWFLSA-N -1 0 313.397 3.506 20 0 DHADRM O=C([O-])c1ccccc1OCCOc1ccc(Cl)cc1F ZINC000385923026 951288220 /nfs/dbraw/zinc/28/82/20/951288220.db2.gz LHYAUSOWUAUUSR-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)C2(C(=O)[O-])CCCCC2)n1 ZINC001602868485 971736863 /nfs/dbraw/zinc/73/68/63/971736863.db2.gz LGEIGQFGVFSZCQ-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cn1 ZINC000392036879 951411691 /nfs/dbraw/zinc/41/16/91/951411691.db2.gz NJRJGTXCBIGFSR-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM O=C([O-])CCSCc1nc2cc(C(F)(F)F)ccc2o1 ZINC001595063813 951528244 /nfs/dbraw/zinc/52/82/44/951528244.db2.gz APVIWQJKRJQWSL-UHFFFAOYSA-N -1 0 305.277 3.555 20 0 DHADRM O=C([O-])CCSCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001595063894 951529833 /nfs/dbraw/zinc/52/98/33/951529833.db2.gz HXQCHZRNPXKSIZ-UHFFFAOYSA-N -1 0 315.394 3.500 20 0 DHADRM O=C([O-])CN(C(=O)c1cc2cccc(Cl)c2s1)C1CCC1 ZINC001595068234 951577329 /nfs/dbraw/zinc/57/73/29/951577329.db2.gz IHGFRBBBPKINLR-UHFFFAOYSA-N -1 0 323.801 3.634 20 0 DHADRM CC(C)(C)Oc1cccc(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001602921420 971878486 /nfs/dbraw/zinc/87/84/86/971878486.db2.gz ODOYCRNCLFNEDA-CQSZACIVSA-N -1 0 322.401 3.654 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001602923258 971886066 /nfs/dbraw/zinc/88/60/66/971886066.db2.gz QUSYCPQLUPEXEO-HNNXBMFYSA-N -1 0 319.401 3.519 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)C1(C(=O)[O-])CCC1 ZINC001593598721 953391658 /nfs/dbraw/zinc/39/16/58/953391658.db2.gz UOUZUSLZNOIIGA-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM CCSc1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001593598839 953394662 /nfs/dbraw/zinc/39/46/62/953394662.db2.gz YUYQGKDXUUVVPP-VOTSOKGWSA-N -1 0 317.366 3.742 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC001594751732 953447548 /nfs/dbraw/zinc/44/75/48/953447548.db2.gz XZYFQQLGVPVITR-HNNXBMFYSA-N -1 0 324.380 3.626 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001593610279 953466994 /nfs/dbraw/zinc/46/69/94/953466994.db2.gz IVXDPVUAHGVPNE-LATGLXBASA-N -1 0 309.450 3.621 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001593612982 953471433 /nfs/dbraw/zinc/47/14/33/953471433.db2.gz BDLFBUPMTOEIIY-WFASDCNBSA-N -1 0 305.418 3.603 20 0 DHADRM CC[C@H](NC(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC001593620476 953522892 /nfs/dbraw/zinc/52/28/92/953522892.db2.gz AMLBSXYNPRABEA-LBPRGKRZSA-N -1 0 322.430 3.706 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2ccccc2s1 ZINC001594771803 953565865 /nfs/dbraw/zinc/56/58/65/953565865.db2.gz AHWYPPFQCHVNBH-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM C[C@@H]1C[C@H](CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CC(C)(C)C1 ZINC001589285845 953570131 /nfs/dbraw/zinc/57/01/31/953570131.db2.gz HODFJFSNBDWNLE-HZSPNIEDSA-N -1 0 311.466 3.702 20 0 DHADRM CCc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1F ZINC001593632974 953588054 /nfs/dbraw/zinc/58/80/54/953588054.db2.gz ONDYBPBUBAOYBQ-AWEZNQCLSA-N -1 0 322.380 3.639 20 0 DHADRM CCc1ccc2c(c1)[C@H](OC(=O)C(CC)(CC)C(=O)[O-])CCO2 ZINC001593639980 953635827 /nfs/dbraw/zinc/63/58/27/953635827.db2.gz DQFDXTIMLYZYQQ-OAHLLOKOSA-N -1 0 320.385 3.507 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC001594785352 953664137 /nfs/dbraw/zinc/66/41/37/953664137.db2.gz 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O=C([O-])CCC1CCN(C(=O)NCCC2=CCCCCC2)CC1 ZINC000659401885 954326811 /nfs/dbraw/zinc/32/68/11/954326811.db2.gz SYZSHUFIKGCFCJ-UHFFFAOYSA-N -1 0 322.449 3.553 20 0 DHADRM C[C@@H]1N(C(=O)NCCCCCC(=O)[O-])c2ccccc2C1(C)C ZINC000659405841 954331723 /nfs/dbraw/zinc/33/17/23/954331723.db2.gz PNBLEZQDXSJEND-ZDUSSCGKSA-N -1 0 318.417 3.527 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(C3CC3)cc2)c2ccccc21 ZINC000663118905 954513355 /nfs/dbraw/zinc/51/33/55/954513355.db2.gz HQLOQQYASGNBLL-MSOLQXFVSA-N -1 0 321.376 3.607 20 0 DHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)C3CCCC3)sc2[C@@H](C)O1 ZINC001589411602 954518905 /nfs/dbraw/zinc/51/89/05/954518905.db2.gz QYXVSQILXQEOAF-RKDXNWHRSA-N -1 0 323.414 3.597 20 0 DHADRM O=C([O-])CCc1cccc(NC[C@H]2CCOc3ccccc32)c1 ZINC000666588615 954565582 /nfs/dbraw/zinc/56/55/82/954565582.db2.gz QMDWOTZRSVCIRX-OAHLLOKOSA-N -1 0 311.381 3.682 20 0 DHADRM CCCCOc1ccc(NC(=O)NCCCCC(=O)[O-])c(C)c1 ZINC000669496827 954577104 /nfs/dbraw/zinc/57/71/04/954577104.db2.gz 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CCC(CC)(CNC(=O)N(C)C1CCCCCCC1)C(=O)[O-] ZINC001589489279 955007751 /nfs/dbraw/zinc/00/77/51/955007751.db2.gz UQEOEFIWKAFYHP-UHFFFAOYSA-N -1 0 312.454 3.632 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589514807 955061295 /nfs/dbraw/zinc/06/12/95/955061295.db2.gz ONTJQOPMCKYJAF-NUEKZKHPSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)CC(F)(F)F ZINC001589516857 955067000 /nfs/dbraw/zinc/06/70/00/955067000.db2.gz ACBBDHQONGPZEO-NSHDSACASA-N -1 0 323.355 3.506 20 0 DHADRM Cc1c(NC(=O)c2cc(F)cc3cccnc32)cccc1C(=O)[O-] ZINC000683304327 1013132443 /nfs/dbraw/zinc/13/24/43/1013132443.db2.gz TWVVWTSUTILFOE-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CC[C@H](CNC(=O)Nc1ccc(CCC(C)C)cc1)C(=O)[O-] ZINC001589537185 955168376 /nfs/dbraw/zinc/16/83/76/955168376.db2.gz FOJQTKQPIGIRFB-CQSZACIVSA-N -1 0 306.406 3.508 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000761723946 955313097 /nfs/dbraw/zinc/31/30/97/955313097.db2.gz 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955670374 /nfs/dbraw/zinc/67/03/74/955670374.db2.gz POZAPMKIHDELEJ-CQSZACIVSA-N -1 0 318.417 3.567 20 0 DHADRM CC(C)Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC001603053950 972117133 /nfs/dbraw/zinc/11/71/33/972117133.db2.gz AASHOCDXUSKGOD-UHFFFAOYSA-N -1 0 319.382 3.603 20 0 DHADRM C[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001589063265 955731716 /nfs/dbraw/zinc/73/17/16/955731716.db2.gz HPWBGDUPFJYMIR-SECBINFHSA-N -1 0 323.801 3.519 20 0 DHADRM CC(C)c1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000852953405 955878761 /nfs/dbraw/zinc/87/87/61/955878761.db2.gz OPOGLNZZBQBHEQ-UHOFOFEASA-N -1 0 317.429 3.675 20 0 DHADRM CCc1ccc([C@H]2CCCCCN2C(=O)CCCC(=O)[O-])o1 ZINC000872938938 956064765 /nfs/dbraw/zinc/06/47/65/956064765.db2.gz VXAAIMGNABKYHS-CQSZACIVSA-N -1 0 307.390 3.541 20 0 DHADRM Cc1cccc(Cl)c1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000388143445 972156537 /nfs/dbraw/zinc/15/65/37/972156537.db2.gz PXVLCNYADCYMHG-UHFFFAOYSA-N -1 0 324.808 3.757 20 0 DHADRM CC(C)[C@@H]1C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC001603094796 972167066 /nfs/dbraw/zinc/16/70/66/972167066.db2.gz CVDIYVCYDHMIBK-HRCADAONSA-N -1 0 317.429 3.734 20 0 DHADRM CC(C)c1nc2ccccc2c(S[C@H](C(=O)[O-])C2CC2)n1 ZINC001603107064 972183054 /nfs/dbraw/zinc/18/30/54/972183054.db2.gz KAKOVCFUQMOHOK-ZDUSSCGKSA-N -1 0 302.399 3.709 20 0 DHADRM C[C@@H](SCCCc1ccccc1Br)C(=O)[O-] ZINC001589168897 956449088 /nfs/dbraw/zinc/44/90/88/956449088.db2.gz BDZZKYFKMIRAFP-SECBINFHSA-N -1 0 303.221 3.588 20 0 DHADRM C[C@H](SCCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001589169990 956467540 /nfs/dbraw/zinc/46/75/40/956467540.db2.gz VQIXXDUUELTUJY-ZETCQYMHSA-N -1 0 322.213 3.528 20 0 DHADRM CC1CCC(N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)CC1 ZINC000901828579 956492584 /nfs/dbraw/zinc/49/25/84/956492584.db2.gz QZDJZXQQRVENEQ-CMDGGOBGSA-N -1 0 317.385 3.561 20 0 DHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(C3CCCCC3)c2)C1 ZINC001589196438 956612511 /nfs/dbraw/zinc/61/25/11/956612511.db2.gz 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956883304 /nfs/dbraw/zinc/88/33/04/956883304.db2.gz DJWNHLIFYUYYNT-ZZXKWVIFSA-N -1 0 322.769 3.761 20 0 DHADRM COc1ccc(C(=O)[O-])c(OCCOc2ccccc2Cl)c1 ZINC000011897408 956898258 /nfs/dbraw/zinc/89/82/58/956898258.db2.gz AVRJRFRDJSJUCW-UHFFFAOYSA-N -1 0 322.744 3.505 20 0 DHADRM O=C([O-])[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000012248900 956903984 /nfs/dbraw/zinc/90/39/84/956903984.db2.gz QTHIFZOWCMMSPQ-LLVKDONJSA-N -1 0 318.379 3.716 20 0 DHADRM O=C([O-])c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000013094508 956945483 /nfs/dbraw/zinc/94/54/83/956945483.db2.gz NQXHGKUNWBUTQS-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000013166870 956948340 /nfs/dbraw/zinc/94/83/40/956948340.db2.gz TVBSQCROTPXWQD-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2C)cc1 ZINC000013178753 956961098 /nfs/dbraw/zinc/96/10/98/956961098.db2.gz PWSXSEOTRZFQRM-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)s2)cc1 ZINC000013179583 956962195 /nfs/dbraw/zinc/96/21/95/956962195.db2.gz UPACDLOXEUWXFR-LLVKDONJSA-N -1 0 323.801 3.656 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001594719942 956967186 /nfs/dbraw/zinc/96/71/86/956967186.db2.gz YRTHMMDCAGTDIZ-BBWFWOEESA-N -1 0 315.413 3.535 20 0 DHADRM Cc1ccccc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013192157 956978787 /nfs/dbraw/zinc/97/87/87/956978787.db2.gz ZVWBXPDIOFCARM-VQHVLOKHSA-N -1 0 312.325 3.613 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000907616946 956979282 /nfs/dbraw/zinc/97/92/82/956979282.db2.gz QCDMBWREFFDFSP-SFHVURJKSA-N -1 0 307.434 3.616 20 0 DHADRM Cc1cc(C)cc(C2CCN(C(=O)CCCCC(=O)[O-])CC2)c1 ZINC000908354168 956985111 /nfs/dbraw/zinc/98/51/11/956985111.db2.gz BJMOQWUWXXQAKL-UHFFFAOYSA-N -1 0 317.429 3.654 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccccc1F ZINC000013812919 957095135 /nfs/dbraw/zinc/09/51/35/957095135.db2.gz SCJLSUWPJSJQAY-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000389728532 972243279 /nfs/dbraw/zinc/24/32/79/972243279.db2.gz IHAXUZWNILMDMQ-SOUVJXGZSA-N -1 0 309.450 3.600 20 0 DHADRM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccncc1 ZINC000020334021 957137339 /nfs/dbraw/zinc/13/73/39/957137339.db2.gz PJDGCRZIHGFUAT-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(F)ccc1F ZINC000021804526 957152106 /nfs/dbraw/zinc/15/21/06/957152106.db2.gz CZAISWZJCHTNTJ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000033454925 957183448 /nfs/dbraw/zinc/18/34/48/957183448.db2.gz LMSHHWMWZANXCU-CXAGYDPISA-N -1 0 311.381 3.583 20 0 DHADRM CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000035185621 957200448 /nfs/dbraw/zinc/20/04/48/957200448.db2.gz URWUMTLPAKPYCG-UHFFFAOYSA-N -1 0 303.383 3.823 20 0 DHADRM CC(C)SCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000036974441 957252818 /nfs/dbraw/zinc/25/28/18/957252818.db2.gz GAHBZEOIKOYRFF-UHFFFAOYSA-N -1 0 303.383 3.618 20 0 DHADRM Cc1cc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc(C)c1O ZINC000037121112 957264309 /nfs/dbraw/zinc/26/43/09/957264309.db2.gz WYHPZKDTPZASPI-UHFFFAOYSA-N -1 0 305.761 3.973 20 0 DHADRM O=C([O-])c1cccnc1SCc1ccccc1OC(F)F ZINC000037429509 957283477 /nfs/dbraw/zinc/28/34/77/957283477.db2.gz JRYXAZVUJJDSSB-UHFFFAOYSA-N -1 0 311.309 3.674 20 0 DHADRM Cc1ccccc1[C@@H](Nc1cccc(Br)c1)C(=O)[O-] ZINC000037960746 957339030 /nfs/dbraw/zinc/33/90/30/957339030.db2.gz VMVHRCCRGGIANX-CQSZACIVSA-N -1 0 320.186 3.995 20 0 DHADRM O=C([O-])CCCCCCNC(=O)Nc1ccc(F)cc1Cl ZINC000040545012 957373733 /nfs/dbraw/zinc/37/37/33/957373733.db2.gz SESBIBHYCIHWCN-UHFFFAOYSA-N -1 0 316.760 3.636 20 0 DHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC000040535787 957374201 /nfs/dbraw/zinc/37/42/01/957374201.db2.gz AJEQDLVJLWYZHN-UHFFFAOYSA-N -1 0 319.188 3.760 20 0 DHADRM CN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000040575210 957377698 /nfs/dbraw/zinc/37/76/98/957377698.db2.gz BAGHUNILXXLPGU-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000058235992 957557245 /nfs/dbraw/zinc/55/72/45/957557245.db2.gz LSMPAOLLTRDJMH-LBPRGKRZSA-N -1 0 315.394 3.645 20 0 DHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000061835269 957589306 /nfs/dbraw/zinc/58/93/06/957589306.db2.gz IFIZDZGJIIDZCF-DTWKUNHWSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000061836562 957591261 /nfs/dbraw/zinc/59/12/61/957591261.db2.gz NTVLCYWHSXVRMR-FZMZJTMJSA-N -1 0 309.793 3.504 20 0 DHADRM O=C([O-])c1ccccc1OC(=O)COc1ccc2ccccc2c1 ZINC000066143765 957641689 /nfs/dbraw/zinc/64/16/89/957641689.db2.gz MHMLRLRTOVSIES-UHFFFAOYSA-N -1 0 322.316 3.522 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC001574770097 957751148 /nfs/dbraw/zinc/75/11/48/957751148.db2.gz DCQFAWVPLGXZCO-RNFRBKRXSA-N -1 0 323.559 3.663 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001574770909 957759207 /nfs/dbraw/zinc/75/92/07/957759207.db2.gz XVUJIVKHECGEIE-VXGBXAGGSA-N -1 0 322.430 3.630 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2cccc3cccnc32)c1 ZINC001594282795 957759953 /nfs/dbraw/zinc/75/99/53/957759953.db2.gz ZPTBVWLAEKAEJG-UHFFFAOYSA-N -1 0 320.348 3.518 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC001594288469 957797914 /nfs/dbraw/zinc/79/79/14/957797914.db2.gz REEYYKMBBKNGCA-CYBMUJFWSA-N -1 0 323.392 3.673 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000084148392 957861546 /nfs/dbraw/zinc/86/15/46/957861546.db2.gz WTGRWXHOTGBTCM-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM O=C([O-])c1ccccc1CNCc1c(F)ccc(F)c1Cl ZINC001574814859 957880745 /nfs/dbraw/zinc/88/07/45/957880745.db2.gz BHYNTOZMJRELNH-UHFFFAOYSA-N -1 0 311.715 3.606 20 0 DHADRM Cc1cc(Cl)c(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C ZINC001594307364 957980806 /nfs/dbraw/zinc/98/08/06/957980806.db2.gz MOFYLZNDMUBWRX-UHFFFAOYSA-N -1 0 319.744 3.613 20 0 DHADRM COc1cc(C)cc(C(=O)Nc2c(C)cccc2C(=O)[O-])c1C ZINC001594054387 958016061 /nfs/dbraw/zinc/01/60/61/958016061.db2.gz CUFGFFDQDXRWOR-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000088848189 958071652 /nfs/dbraw/zinc/07/16/52/958071652.db2.gz QPMRAGLVFUMJPT-CYBMUJFWSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1C(=O)[O-] ZINC001594316867 958073344 /nfs/dbraw/zinc/07/33/44/958073344.db2.gz SUALRZLBKIYGRS-UHFFFAOYSA-N -1 0 309.774 3.589 20 0 DHADRM Cc1cc(NC(=O)N2C[C@@H](C)CC(C)(C)C2)ccc1C(=O)[O-] ZINC001594317764 958088621 /nfs/dbraw/zinc/08/86/21/958088621.db2.gz BZQXKASDQIZTCW-NSHDSACASA-N -1 0 304.390 3.593 20 0 DHADRM Cc1cc(NC(=O)NCCCSCC(C)C)ccc1C(=O)[O-] ZINC001594318730 958103955 /nfs/dbraw/zinc/10/39/55/958103955.db2.gz XTDNXCNWUJLHJW-UHFFFAOYSA-N -1 0 324.446 3.594 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)ccc1C(=O)[O-] ZINC001594320177 958120547 /nfs/dbraw/zinc/12/05/47/958120547.db2.gz VNYBCNTVPVPMHR-VXGBXAGGSA-N -1 0 304.390 3.593 20 0 DHADRM Cc1cc(Nc2cnc3cc(F)c(F)cc3n2)ccc1C(=O)[O-] ZINC001594325178 958160327 /nfs/dbraw/zinc/16/03/27/958160327.db2.gz FCBJAKPESUOTRS-UHFFFAOYSA-N -1 0 315.279 3.658 20 0 DHADRM Cc1cc2occ(-c3nc(C4(C(=O)[O-])CCC4)no3)c2cc1C ZINC001594333080 958242957 /nfs/dbraw/zinc/24/29/57/958242957.db2.gz KBGHZJSRECVKHU-UHFFFAOYSA-N -1 0 312.325 3.606 20 0 DHADRM CC/C=C(/C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432309 958245167 /nfs/dbraw/zinc/24/51/67/958245167.db2.gz KKLFFAHLFMQZPN-YWEYNIOJSA-N -1 0 301.264 3.698 20 0 DHADRM Cc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC001594347476 958328436 /nfs/dbraw/zinc/32/84/36/958328436.db2.gz QAVNITAKOMNBES-AWEZNQCLSA-N -1 0 313.397 3.625 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001594347691 958330425 /nfs/dbraw/zinc/33/04/25/958330425.db2.gz NBBYSRFREIFZHU-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c2c1CCC2 ZINC001594349997 958341919 /nfs/dbraw/zinc/34/19/19/958341919.db2.gz ROWXMTLMHRDFCR-UHFFFAOYSA-N -1 0 310.349 3.539 20 0 DHADRM Cc1cc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)c(C)s1 ZINC000037500798 1013177081 /nfs/dbraw/zinc/17/70/81/1013177081.db2.gz NIIPRRGTXWKVAU-NSHDSACASA-N -1 0 309.431 3.577 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](C)c1cc(C)sc1C)C(=O)[O-] ZINC000037500795 1013177426 /nfs/dbraw/zinc/17/74/26/1013177426.db2.gz PSZRZOAOVDEILG-NSHDSACASA-N -1 0 311.447 3.823 20 0 DHADRM Cc1ccc(CN(CC(C)C)C(=O)CCCC(=O)[O-])c(C)c1 ZINC001594360208 958442745 /nfs/dbraw/zinc/44/27/45/958442745.db2.gz PXUTVGACFIAPOV-UHFFFAOYSA-N -1 0 305.418 3.543 20 0 DHADRM Cc1ccc(F)c(CN(C)C(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001594364417 958475064 /nfs/dbraw/zinc/47/50/64/958475064.db2.gz BVHSKKXPEAMZFY-UHFFFAOYSA-N -1 0 321.392 3.518 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594366570 958494512 /nfs/dbraw/zinc/49/45/12/958494512.db2.gz PXAHDQCKYOHWKG-ALCCZGGFSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1OCCC(C)C ZINC001594368715 958517157 /nfs/dbraw/zinc/51/71/57/958517157.db2.gz PJOQEWBTYFJAFE-MRXNPFEDSA-N -1 0 321.417 3.715 20 0 DHADRM C/C(=C/C(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001573340587 958538445 /nfs/dbraw/zinc/53/84/45/958538445.db2.gz TZMBOORHVNFYLZ-BENRWUELSA-N -1 0 321.804 3.647 20 0 DHADRM Cc1ccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594373268 958560832 /nfs/dbraw/zinc/56/08/32/958560832.db2.gz MCUCKEGBBVXVEI-CQSZACIVSA-N -1 0 314.385 3.501 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001588480318 958587384 /nfs/dbraw/zinc/58/73/84/958587384.db2.gz HJNOSQVPSQOIRN-OBHPCNEJSA-N -1 0 317.429 3.652 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1cccs1 ZINC001588480574 958590573 /nfs/dbraw/zinc/59/05/73/958590573.db2.gz RCBKQRBUODMVEI-IIANPFDCSA-N -1 0 309.431 3.547 20 0 DHADRM Cc1ccc([C@H](C)OC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001594378422 958610032 /nfs/dbraw/zinc/61/00/32/958610032.db2.gz ZAHBLORXVKWKNS-KRZKBDHCSA-N -1 0 300.310 3.604 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001594387252 958687117 /nfs/dbraw/zinc/68/71/17/958687117.db2.gz BBMOFAVWYTZMSD-UHFFFAOYSA-N -1 0 323.270 3.563 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC001573396294 958722449 /nfs/dbraw/zinc/72/24/49/958722449.db2.gz WZKDBHMMMOSWPH-ZBUUCQELSA-N -1 0 321.461 3.599 20 0 DHADRM Cc1cccc(C)c1CN(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594399297 958826110 /nfs/dbraw/zinc/82/61/10/958826110.db2.gz DVEGKBHUEHZFRI-UHFFFAOYSA-N -1 0 317.429 3.687 20 0 DHADRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)CCCC(=O)[O-])cc1 ZINC001573463058 958926604 /nfs/dbraw/zinc/92/66/04/958926604.db2.gz XHFABLKQEJHMPP-UHFFFAOYSA-N -1 0 319.445 3.633 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594411166 958949563 /nfs/dbraw/zinc/94/95/63/958949563.db2.gz KPOQWNGLYIOMAY-IJEWVQPXSA-N -1 0 317.429 3.591 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC12CCCCCC2 ZINC001573500630 959059279 /nfs/dbraw/zinc/05/92/79/959059279.db2.gz BENMJLMWWWJIKW-LIRRHRJNSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)C[C@H](C)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573509423 959080453 /nfs/dbraw/zinc/08/04/53/959080453.db2.gz HNYMPBQIVFXEMZ-LSDHHAIUSA-N -1 0 317.429 3.739 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573516854 959106099 /nfs/dbraw/zinc/10/60/99/959106099.db2.gz KUMHZETXZWNBPC-FTJFNGAWSA-N -1 0 319.401 3.712 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC001588562303 959107341 /nfs/dbraw/zinc/10/73/41/959107341.db2.gz HLYYNTOGQSCMRR-GFCCVEGCSA-N -1 0 317.772 3.594 20 0 DHADRM CC(C)CCOCCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573517666 959111195 /nfs/dbraw/zinc/11/11/95/959111195.db2.gz DFFMWLJSJHWBQJ-INIZCTEOSA-N -1 0 319.445 3.593 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594425504 959117394 /nfs/dbraw/zinc/11/73/94/959117394.db2.gz KQYWVKFQOMGLLQ-WDEREUQCSA-N -1 0 319.357 3.636 20 0 DHADRM CSc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)o1 ZINC001594189512 959159461 /nfs/dbraw/zinc/15/94/61/959159461.db2.gz KHQLZOYSIPIZRC-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CSc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001594193053 959173670 /nfs/dbraw/zinc/17/36/70/959173670.db2.gz LWPDDSJSEVBHGP-LBPRGKRZSA-N -1 0 321.442 3.621 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594194171 959184120 /nfs/dbraw/zinc/18/41/20/959184120.db2.gz SBMSOLDEGJVGPC-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM Cc1coc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc12 ZINC001594435547 959225252 /nfs/dbraw/zinc/22/52/52/959225252.db2.gz GSOJVORIPCCZHY-QPJJXVBHSA-N -1 0 311.293 3.684 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)OC(=O)CCCCC(=O)[O-])c1 ZINC001573552857 959239002 /nfs/dbraw/zinc/23/90/02/959239002.db2.gz GLEUFNDDWHGSMM-CYBMUJFWSA-N -1 0 308.374 3.723 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C1CCCCCC1 ZINC001594200152 959244417 /nfs/dbraw/zinc/24/44/17/959244417.db2.gz WJMJPYQOEFQNDK-GFCCVEGCSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001594200672 959247466 /nfs/dbraw/zinc/24/74/66/959247466.db2.gz IAHJUAKWNHWKJA-TTZKWOQHSA-N -1 0 319.744 3.522 20 0 DHADRM CCC(CC)(CNC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000165007145 959269325 /nfs/dbraw/zinc/26/93/25/959269325.db2.gz QEHQVYIGGDEHTQ-UHFFFAOYSA-N -1 0 318.200 3.614 20 0 DHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1F ZINC001594211356 959291112 /nfs/dbraw/zinc/29/11/12/959291112.db2.gz JHOVMBTWVDQDOP-ANRSDYALSA-N -1 0 314.740 3.584 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1c(Cl)oc2ccccc21 ZINC001594215268 959320095 /nfs/dbraw/zinc/32/00/95/959320095.db2.gz HXDHRTYEHVCHJD-MWLCHTKSSA-N -1 0 321.760 3.554 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H](c2ccccc2)C2CC2)c1 ZINC001605757699 972422562 /nfs/dbraw/zinc/42/25/62/972422562.db2.gz VVZDKBDSGAUJNX-KRWDZBQOSA-N -1 0 324.380 3.700 20 0 DHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190624892 959515007 /nfs/dbraw/zinc/51/50/07/959515007.db2.gz BNUUVJTYAUSSKK-CQSZACIVSA-N -1 0 319.445 3.750 20 0 DHADRM C[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(F)cc(F)c1 ZINC001573635743 959590019 /nfs/dbraw/zinc/59/00/19/959590019.db2.gz MVHHNDLLERORLI-LVCFMKKZSA-N -1 0 322.263 3.574 20 0 DHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594247712 959592270 /nfs/dbraw/zinc/59/22/70/959592270.db2.gz SAIYMNUXDLDBIC-FXAWDEMLSA-N -1 0 323.392 3.620 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000192919001 959596516 /nfs/dbraw/zinc/59/65/16/959596516.db2.gz KGKLJPJSYNPNLG-UONOGXRCSA-N -1 0 311.381 3.692 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC001588631504 959617600 /nfs/dbraw/zinc/61/76/00/959617600.db2.gz LPIYHEZNNZZBPE-LSDHHAIUSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(C2CCCCC2)cs1 ZINC001573646088 959641757 /nfs/dbraw/zinc/64/17/57/959641757.db2.gz OWDSPFNJZCQXLV-INIZCTEOSA-N -1 0 308.447 3.630 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC001588635626 959655850 /nfs/dbraw/zinc/65/58/50/959655850.db2.gz LLRUFVWYAYXWFP-GJZGRUSLSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000207340223 959663291 /nfs/dbraw/zinc/66/32/91/959663291.db2.gz LZDIZQXWMQJQMQ-YFHOEESVSA-N -1 0 301.729 3.690 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC001588640906 959691914 /nfs/dbraw/zinc/69/19/14/959691914.db2.gz QDHASYUTXPZRED-JTQLQIEISA-N -1 0 324.427 3.557 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001588642401 959702496 /nfs/dbraw/zinc/70/24/96/959702496.db2.gz BVOGRXRPNANNMP-GZBFAFLISA-N -1 0 315.413 3.664 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC001573667877 959711867 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Cc1c(F)c(F)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574304066 960729184 /nfs/dbraw/zinc/72/91/84/960729184.db2.gz KDRYTSUXWHFFAB-UHFFFAOYSA-N -1 0 320.295 3.544 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC001573785374 960734018 /nfs/dbraw/zinc/73/40/18/960734018.db2.gz RHENVOKTNCUOBV-UHFFFAOYSA-N -1 0 321.421 3.526 20 0 DHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236723674 960742506 /nfs/dbraw/zinc/74/25/06/960742506.db2.gz PXWBHMTZPIODMX-UHFFFAOYSA-N -1 0 317.772 3.955 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccs2)C1(C)C ZINC000236741580 960746658 /nfs/dbraw/zinc/74/66/58/960746658.db2.gz FXRZWTJVJYAUDM-XUJVJEKNSA-N -1 0 321.442 3.619 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236749435 960751273 /nfs/dbraw/zinc/75/12/73/960751273.db2.gz VVUYXKQHINLNPO-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2o1 ZINC000236751196 960751668 /nfs/dbraw/zinc/75/16/68/960751668.db2.gz 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Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237615873 960974084 /nfs/dbraw/zinc/97/40/84/960974084.db2.gz HYOCBCNZSZVVDG-LBPRGKRZSA-N -1 0 323.348 3.930 20 0 DHADRM Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c(Cl)c1Cl ZINC001574357073 961006937 /nfs/dbraw/zinc/00/69/37/961006937.db2.gz MHUSOGWOEBPRGK-SNVBAGLBSA-N -1 0 318.200 3.531 20 0 DHADRM CCC[C@@H](C(=O)N(CC)[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573832512 961040079 /nfs/dbraw/zinc/04/00/79/961040079.db2.gz WATXRWBSIXFBLJ-SMDDNHRTSA-N -1 0 311.809 3.545 20 0 DHADRM CCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001573840715 961069483 /nfs/dbraw/zinc/06/94/83/961069483.db2.gz HLOUQCVQQJUJOX-RKDXNWHRSA-N -1 0 311.403 3.597 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574374177 961078717 /nfs/dbraw/zinc/07/87/17/961078717.db2.gz MZUSFMWAGXOWNM-JQWIXIFHSA-N -1 0 324.808 3.531 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000238022280 961079036 /nfs/dbraw/zinc/07/90/36/961079036.db2.gz RALUEIFTYAGTSU-UHFFFAOYSA-N -1 0 317.344 3.889 20 0 DHADRM CCCCCCOc1ccc(C(=O)N(CC(=O)[O-])C(C)C)cc1 ZINC001573842726 961090628 /nfs/dbraw/zinc/09/06/28/961090628.db2.gz FKWINAKSDRKQNC-UHFFFAOYSA-N -1 0 321.417 3.581 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238124505 961111943 /nfs/dbraw/zinc/11/19/43/961111943.db2.gz NMAZESJDEQHGLO-GJZGRUSLSA-N -1 0 323.820 3.595 20 0 DHADRM CCCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1F ZINC001573849320 961124577 /nfs/dbraw/zinc/12/45/77/961124577.db2.gz AOVICMFIBNHIHT-BQYQJAHWSA-N -1 0 317.316 3.573 20 0 DHADRM O=C([O-])CCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC001327208580 961149247 /nfs/dbraw/zinc/14/92/47/961149247.db2.gz MFDWCPPVSYLOCT-UHFFFAOYSA-N -1 0 311.381 3.586 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001588739782 961160429 /nfs/dbraw/zinc/16/04/29/961160429.db2.gz UDBMYOLPGQNAMG-FLIBITNWSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)cc(Cl)c1 ZINC001574390591 961172439 /nfs/dbraw/zinc/17/24/39/961172439.db2.gz ZALZOXXZZZVZBF-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001588741961 961174963 /nfs/dbraw/zinc/17/49/63/961174963.db2.gz OUEPTGXHDWVBMS-GOSISDBHSA-N -1 0 302.370 3.701 20 0 DHADRM Cc1ccc2oc(C(=O)N[C@H](C(=O)[O-])c3cccc(C)c3)cc2c1 ZINC001574392118 961187810 /nfs/dbraw/zinc/18/78/10/961187810.db2.gz PBBMSOAXQVKFJE-KRWDZBQOSA-N -1 0 323.348 3.605 20 0 DHADRM CCCc1ccccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573866596 961193018 /nfs/dbraw/zinc/19/30/18/961193018.db2.gz BLRMIHMGWKLBIL-ZWKOTPCHSA-N -1 0 323.392 3.682 20 0 DHADRM Cc1oc(CN(C)C(=O)c2ccccc2C(C)C)cc1C(=O)[O-] ZINC001328340544 961201499 /nfs/dbraw/zinc/20/14/99/961201499.db2.gz VQGSHLQLCGJXHS-UHFFFAOYSA-N -1 0 315.369 3.682 20 0 DHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001573874787 961236461 /nfs/dbraw/zinc/23/64/61/961236461.db2.gz WLPYCLPTZUDFDF-FPLPWBNLSA-N -1 0 319.744 3.698 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001574401960 961238484 /nfs/dbraw/zinc/23/84/84/961238484.db2.gz QUPUSQYWKJBKBY-CVEARBPZSA-N -1 0 305.418 3.555 20 0 DHADRM Cc1ccsc1CCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001574411018 961284353 /nfs/dbraw/zinc/28/43/53/961284353.db2.gz IZDJGWWNKAWMEF-CQSZACIVSA-N -1 0 323.458 3.625 20 0 DHADRM CC(C)(CCNc1cc(-c2cccc(Cl)c2)ncn1)C(=O)[O-] ZINC001588778377 961289362 /nfs/dbraw/zinc/28/93/62/961289362.db2.gz RGUIMLGCMSNNGP-UHFFFAOYSA-N -1 0 319.792 3.710 20 0 DHADRM CC[C@H](c1ccccc1)N(C)c1nc[n-]c2nc(=S)sc1-2 ZINC001167127617 1013242820 /nfs/dbraw/zinc/24/28/20/1013242820.db2.gz HCPCYTXAWHCZFH-LLVKDONJSA-N -1 0 316.455 3.963 20 0 DHADRM O=C([O-])c1csc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000683328974 1013242858 /nfs/dbraw/zinc/24/28/58/1013242858.db2.gz KKSOCBDMYCOJQT-IUCAKERBSA-N -1 0 321.320 3.754 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1sccc1C(=O)[O-] ZINC001574417939 961336289 /nfs/dbraw/zinc/33/62/89/961336289.db2.gz YUPVLYBDIKHVKA-UHFFFAOYSA-N -1 0 310.400 3.587 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000262077479 961436939 /nfs/dbraw/zinc/43/69/39/961436939.db2.gz DDWFIAJPDKVOLH-ZIAGYGMSSA-N -1 0 315.394 3.805 20 0 DHADRM Cc1oc2ccccc2c1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001574444209 961442743 /nfs/dbraw/zinc/44/27/43/961442743.db2.gz XPMGOCNXHQXPOS-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC001588808334 961496340 /nfs/dbraw/zinc/49/63/40/961496340.db2.gz PIURYVFERDBYRB-JTQLQIEISA-N -1 0 305.708 3.573 20 0 DHADRM CCOc1ccccc1COC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573926044 961551762 /nfs/dbraw/zinc/55/17/62/961551762.db2.gz KFCWPAAWVNMCKJ-UHFFFAOYSA-N -1 0 320.385 3.554 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])c1ccccc1 ZINC001588815246 961563906 /nfs/dbraw/zinc/56/39/06/961563906.db2.gz IFARLGMHXPMTCN-UWWQBHOKSA-N -1 0 317.429 3.528 20 0 DHADRM Cc1cc([C@H](NCc2csc(C(C)C)n2)C(=O)[O-])ccc1F ZINC001332421962 961567144 /nfs/dbraw/zinc/56/71/44/961567144.db2.gz CLKQHLAGQQMAQY-AWEZNQCLSA-N -1 0 322.405 3.630 20 0 DHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])C1CCCCCCC1 ZINC000262234862 961577851 /nfs/dbraw/zinc/57/78/51/961577851.db2.gz SWOPSPWWGFUBQM-UHFFFAOYSA-N -1 0 317.429 3.889 20 0 DHADRM CCc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001573956342 961670346 /nfs/dbraw/zinc/67/03/46/961670346.db2.gz CEFLAMGJVNCZNI-UHFFFAOYSA-N -1 0 313.353 3.517 20 0 DHADRM CCS[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C(C)C ZINC000262423240 961711566 /nfs/dbraw/zinc/71/15/66/961711566.db2.gz AWPAPHUXWSJOCD-CQSZACIVSA-N -1 0 309.431 3.718 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC001588835195 961762054 /nfs/dbraw/zinc/76/20/54/961762054.db2.gz GLLRUIYEYZNUMY-GVDBMIGSSA-N -1 0 317.429 3.732 20 0 DHADRM CN(C(=O)[C@]1(C(=O)[O-])CC1(C)C)C1CCC(C(C)(C)C)CC1 ZINC001573980510 961771079 /nfs/dbraw/zinc/77/10/79/961771079.db2.gz 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962029375 /nfs/dbraw/zinc/02/93/75/962029375.db2.gz ZXPFZSSUDFJBAW-LUAWRHEFSA-N -1 0 307.390 3.714 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H]1CCCc2ccccc21 ZINC001574567243 962041462 /nfs/dbraw/zinc/04/14/62/962041462.db2.gz DMDAUMVJEYISFN-AWEZNQCLSA-N -1 0 324.380 3.626 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(C3CC3)cc2)cc1 ZINC001574574424 962073526 /nfs/dbraw/zinc/07/35/26/962073526.db2.gz SBRKOOHJLPIIJY-UHFFFAOYSA-N -1 0 310.353 3.584 20 0 DHADRM COc1ccc(Cl)c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000043318776 1013311792 /nfs/dbraw/zinc/31/17/92/1013311792.db2.gz AMXGGEQTHJAKPC-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC2CCCC2)cc1 ZINC001340564842 962103231 /nfs/dbraw/zinc/10/32/31/962103231.db2.gz VAKLGESBBSILLP-QGZVFWFLSA-N -1 0 317.429 3.988 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(F)cc2)c1Cl ZINC001574600012 962157324 /nfs/dbraw/zinc/15/73/24/962157324.db2.gz PACKTVANEWFPNE-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM 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CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)c(F)c1 ZINC001588938095 962513584 /nfs/dbraw/zinc/51/35/84/962513584.db2.gz LFAYSNLYHVNWQA-UHFFFAOYSA-N -1 0 323.364 3.587 20 0 DHADRM CCCN(CC(=O)[O-])Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000263376275 962533083 /nfs/dbraw/zinc/53/30/83/962533083.db2.gz APERCONKANATLP-UHFFFAOYSA-N -1 0 324.833 3.760 20 0 DHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CCC(F)(F)F ZINC000263387775 962546086 /nfs/dbraw/zinc/54/60/86/962546086.db2.gz FFTYRBFLCGATCH-GFCCVEGCSA-N -1 0 323.355 3.649 20 0 DHADRM CC(C)[C@@H]1C[C@@H](OC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c2ccccc21 ZINC001588953739 962579197 /nfs/dbraw/zinc/57/91/97/962579197.db2.gz AJSKIEBHDVTCAE-LVQVYYBASA-N -1 0 302.370 3.525 20 0 DHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)Cc1ccsc1 ZINC000263436688 962615403 /nfs/dbraw/zinc/61/54/03/962615403.db2.gz VOTDXLDWOOKJQT-HNNXBMFYSA-N -1 0 323.458 3.611 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000263466351 962653988 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ZINC000331107316 1013858457 /nfs/dbraw/zinc/85/84/57/1013858457.db2.gz RLOZKPSVXFCFHJ-CYBMUJFWSA-N -1 0 321.446 3.580 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC000852945665 969294546 /nfs/dbraw/zinc/29/45/46/969294546.db2.gz HJUCYYRBFMYKJH-LBPRGKRZSA-N -1 0 309.431 3.659 20 0 DHADRM CC(C)(C)N1CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572992 1013871120 /nfs/dbraw/zinc/87/11/20/1013871120.db2.gz SARBQXLRUZMXTK-LLVKDONJSA-N -1 0 317.216 3.510 20 0 DHADRM CCOc1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)cc(Cl)c1O ZINC000334071055 1013885169 /nfs/dbraw/zinc/88/51/69/1013885169.db2.gz XCZGZRCIYKQRQG-MNOVXSKESA-N -1 0 311.809 3.610 20 0 DHADRM CO[C@@H]1CCOc2c(NCc3ccc(C(=O)[O-])s3)cccc21 ZINC000903686794 969585746 /nfs/dbraw/zinc/58/57/46/969585746.db2.gz SYUDSWXETOOSKU-CYBMUJFWSA-N -1 0 319.382 3.528 20 0 DHADRM C[C@@H]1CCN(C(=O)c2c([O-])cccc2F)[C@@H](c2ccco2)C1 ZINC000127453616 1013901569 /nfs/dbraw/zinc/90/15/69/1013901569.db2.gz ZNCZBLCJUJFQAF-DGCLKSJQSA-N -1 0 303.333 3.738 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)c(F)c1 ZINC001594806476 970266200 /nfs/dbraw/zinc/26/62/00/970266200.db2.gz CPBGMORWPQMMLJ-UHFFFAOYSA-N -1 0 324.695 3.527 20 0 DHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000068175910 1013974150 /nfs/dbraw/zinc/97/41/50/1013974150.db2.gz ITPPCTHWMPFCRJ-UHFFFAOYSA-N -1 0 321.446 3.562 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000317209332 970338029 /nfs/dbraw/zinc/33/80/29/970338029.db2.gz GDHDDMKLOSITMX-CYBMUJFWSA-N -1 0 323.820 3.611 20 0 DHADRM C[C@H](C(=O)[O-])c1noc([C@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC001609744258 970511786 /nfs/dbraw/zinc/51/17/86/970511786.db2.gz SWZYNZQVGWQVNH-LKTVYLICSA-N -1 0 308.337 3.682 20 0 DHADRM CC(C)c1cccc(O[C@@H](C)c2nc([C@H](C)C(=O)[O-])no2)c1 ZINC001609849340 970551639 /nfs/dbraw/zinc/55/16/39/970551639.db2.gz YGPOBRXGIFKPKK-QWRGUYRKSA-N -1 0 304.346 3.521 20 0 DHADRM Cc1c(NC(=O)c2ccc3c(c2)CCCC3)cccc1C(=O)[O-] ZINC000321131641 970747104 /nfs/dbraw/zinc/74/71/04/970747104.db2.gz RTOFWDBIVGULOG-UHFFFAOYSA-N -1 0 309.365 3.824 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC001605863520 972620481 /nfs/dbraw/zinc/62/04/81/972620481.db2.gz VJCIPUQENHYIHA-KRWDZBQOSA-N -1 0 324.380 3.528 20 0 DHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1F ZINC001605053900 972671486 /nfs/dbraw/zinc/67/14/86/972671486.db2.gz JHOVMBTWVDQDOP-VXJOIVPMSA-N -1 0 314.740 3.584 20 0 DHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001603328845 972684349 /nfs/dbraw/zinc/68/43/49/972684349.db2.gz KFSMITPBNDPBTL-CVEARBPZSA-N -1 0 315.413 3.673 20 0 DHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001603328848 972684421 /nfs/dbraw/zinc/68/44/21/972684421.db2.gz KFSMITPBNDPBTL-JKSUJKDBSA-N -1 0 315.413 3.673 20 0 DHADRM O=C([O-])C1(C(=O)NCCCCCc2ccccc2)CCCCC1 ZINC001605925559 972839237 /nfs/dbraw/zinc/83/92/37/972839237.db2.gz PYGLRFLQWIQLJO-UHFFFAOYSA-N -1 0 317.429 3.551 20 0 DHADRM O=C(CN(Cc1ccccc1)c1ccccc1)[N-]OCC1CCC1 ZINC001167368873 1014063836 /nfs/dbraw/zinc/06/38/36/1014063836.db2.gz JDXAMFOQDCPCLH-UHFFFAOYSA-N -1 0 324.424 3.541 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001605173802 972886190 /nfs/dbraw/zinc/88/61/90/972886190.db2.gz UKQZVXKZQQIESF-VXGBXAGGSA-N -1 0 324.808 3.674 20 0 DHADRM Cc1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c(C)n1 ZINC001605273209 973057428 /nfs/dbraw/zinc/05/74/28/973057428.db2.gz OHYZKPQTTAVEBD-MRXNPFEDSA-N -1 0 324.424 3.742 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc[nH]c2C2CCC2)c2ccccc21 ZINC001606008179 973104776 /nfs/dbraw/zinc/10/47/76/973104776.db2.gz PJFQLZWTTVBAIR-AWEZNQCLSA-N -1 0 324.380 3.501 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1C ZINC001605345022 973235611 /nfs/dbraw/zinc/23/56/11/973235611.db2.gz NSUAAZUBPFQQMP-DOTOQJQBSA-N -1 0 324.380 3.738 20 0 DHADRM [S-]c1cccc(Nc2cnc(Br)c(Cl)n2)c1 ZINC001210945925 1014093680 /nfs/dbraw/zinc/09/36/80/1014093680.db2.gz ZAUQPDATXZHLIF-UHFFFAOYSA-N -1 0 316.611 3.925 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC001605351427 973258529 /nfs/dbraw/zinc/25/85/29/973258529.db2.gz MNSUJCPGJGDFSU-UHFFFAOYSA-N -1 0 323.392 3.599 20 0 DHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001605355749 973264961 /nfs/dbraw/zinc/26/49/61/973264961.db2.gz MRIVCYAUKDROIP-OAHLLOKOSA-N -1 0 324.380 3.715 20 0 DHADRM Nc1cc(F)c(C(F)(F)F)cc1Nc1ccccc1C(=O)[O-] ZINC001210969582 1014098926 /nfs/dbraw/zinc/09/89/26/1014098926.db2.gz UKEQRUYERCZUQB-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM Cc1cn(-c2ccccc2)nc1NCc1ccc(C(=O)[O-])s1 ZINC001605366992 973303824 /nfs/dbraw/zinc/30/38/24/973303824.db2.gz HRTKODHJEJWOFI-UHFFFAOYSA-N -1 0 313.382 3.553 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC000401418309 973363801 /nfs/dbraw/zinc/36/38/01/973363801.db2.gz DEOZHTBRJUGKCW-GFCCVEGCSA-N -1 0 305.399 3.521 20 0 DHADRM Cc1cc(C)cc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000683922106 1014109947 /nfs/dbraw/zinc/10/99/47/1014109947.db2.gz LSXVFNZYMZTSOJ-UHFFFAOYSA-N -1 0 304.390 3.555 20 0 DHADRM CCc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000683921993 1014110994 /nfs/dbraw/zinc/11/09/94/1014110994.db2.gz GOIACHCHPRUFAO-INIZCTEOSA-N -1 0 312.369 3.539 20 0 DHADRM O=C([O-])CCc1cccc(Nc2nc3ccc(F)cc3o2)c1 ZINC001606215875 973465718 /nfs/dbraw/zinc/46/57/18/973465718.db2.gz CWGDNNGZGQXDJW-UHFFFAOYSA-N -1 0 300.289 3.728 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001603504573 973479735 /nfs/dbraw/zinc/47/97/35/973479735.db2.gz CUNWMAQTANGFDI-SLTAFYQDSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(OCC(C)C)c1 ZINC001603526760 973567502 /nfs/dbraw/zinc/56/75/02/973567502.db2.gz BZNDADYZOFANRB-UHFFFAOYSA-N -1 0 307.390 3.551 20 0 DHADRM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3C)c2C(=O)[O-])C1 ZINC001603624552 973928929 /nfs/dbraw/zinc/92/89/29/973928929.db2.gz KGIFKWRZQXGHOG-NGZCFLSTSA-N -1 0 307.415 3.556 20 0 DHADRM CCC[C@](C)(CC)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603627903 973940420 /nfs/dbraw/zinc/94/04/20/973940420.db2.gz MCHXCZDYZWGAFM-MPGHIAIKSA-N -1 0 303.402 3.632 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)ccc1O ZINC001606466704 973944393 /nfs/dbraw/zinc/94/43/93/973944393.db2.gz ZUBDRVRJBISHIY-JOCQHMNTSA-N -1 0 317.385 3.635 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603628341 973945883 /nfs/dbraw/zinc/94/58/83/973945883.db2.gz HTBAXVARNVUHHM-QGZVFWFLSA-N -1 0 324.380 3.561 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2ncc(C(C)C)s2)C(=O)[O-])c1 ZINC000417566671 973962257 /nfs/dbraw/zinc/96/22/57/973962257.db2.gz RHYSNZSBDQGRHF-MRXNPFEDSA-N -1 0 318.442 3.799 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2ncc(C(C)C)s2)C(=O)[O-])c1 ZINC000417566670 973962295 /nfs/dbraw/zinc/96/22/95/973962295.db2.gz RHYSNZSBDQGRHF-INIZCTEOSA-N -1 0 318.442 3.799 20 0 DHADRM O=C([O-])c1ccc(CNc2cnc3cc(Cl)ccc3n2)cc1 ZINC001606495382 973980280 /nfs/dbraw/zinc/98/02/80/973980280.db2.gz VOIKUXPLWZRRJV-UHFFFAOYSA-N -1 0 313.744 3.594 20 0 DHADRM CCCCC1CCC(NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001603641084 973987626 /nfs/dbraw/zinc/98/76/26/973987626.db2.gz KCFNTBNUOHFXSF-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM CCCc1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)ccc1Cl ZINC001603691836 974080628 /nfs/dbraw/zinc/08/06/28/974080628.db2.gz NPORFVMVPJSTCN-UHFFFAOYSA-N -1 0 318.760 3.638 20 0 DHADRM CCCc1ccccc1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603692657 974088794 /nfs/dbraw/zinc/08/87/94/974088794.db2.gz GEJFGFJJDZSAGS-HJWRWDBZSA-N -1 0 300.310 3.549 20 0 DHADRM C[C@](CC(=O)[O-])(NC(=O)CC1=CCCCC1)c1cccc(F)c1 ZINC000449001283 974139381 /nfs/dbraw/zinc/13/93/81/974139381.db2.gz ZQRJBNYDFCWLKP-GOSISDBHSA-N -1 0 319.376 3.522 20 0 DHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000656233306 1014171123 /nfs/dbraw/zinc/17/11/23/1014171123.db2.gz IZTPUSMAZPMQGC-WBVHZDCISA-N -1 0 317.429 3.940 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)c2ccccc2)c(F)c1 ZINC000478857551 974213099 /nfs/dbraw/zinc/21/30/99/974213099.db2.gz PKHIASVAQQLGRB-UHFFFAOYSA-N -1 0 313.328 3.581 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478860317 974213242 /nfs/dbraw/zinc/21/32/42/974213242.db2.gz YSJDSEXBUKSKJG-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\c2ccsc2)cc1)C(=O)[O-] ZINC000493835972 974260275 /nfs/dbraw/zinc/26/02/75/974260275.db2.gz KZAXRXQVLKHKSH-KMSCOEIWSA-N -1 0 315.394 3.663 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC000521441079 974344482 /nfs/dbraw/zinc/34/44/82/974344482.db2.gz AQJVVAZJFNHQDL-SNVBAGLBSA-N -1 0 323.801 3.634 20 0 DHADRM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000189454479 1014186428 /nfs/dbraw/zinc/18/64/28/1014186428.db2.gz UFIQKRLNVGKPQF-BDAKNGLRSA-N -1 0 301.308 3.508 20 0 DHADRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 ZINC000530173340 974362658 /nfs/dbraw/zinc/36/26/58/974362658.db2.gz UZAAOYXMZXLGIJ-NSHDSACASA-N -1 0 324.154 3.850 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc2[nH]ccc21 ZINC000530354484 974366076 /nfs/dbraw/zinc/36/60/76/974366076.db2.gz ICKORROUTOVXDZ-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CC[C@H](CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)C(C)C ZINC000538587549 974393867 /nfs/dbraw/zinc/39/38/67/974393867.db2.gz KZLRBBXTFAVVMY-QGZVFWFLSA-N -1 0 319.445 3.952 20 0 DHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc3ccccc32)c1 ZINC000540774047 974407598 /nfs/dbraw/zinc/40/75/98/974407598.db2.gz CPNHSUJYEKDBMH-UHFFFAOYSA-N -1 0 305.333 3.719 20 0 DHADRM CCSc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541574299 974411898 /nfs/dbraw/zinc/41/18/98/974411898.db2.gz AIJPUFGCRWYGQQ-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CCc1ccccc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001603976541 974474449 /nfs/dbraw/zinc/47/44/49/974474449.db2.gz LYVFGKNNQHMNBI-AWEZNQCLSA-N -1 0 306.406 3.650 20 0 DHADRM CCc1ccccc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001603976543 974474960 /nfs/dbraw/zinc/47/49/60/974474960.db2.gz LYVFGKNNQHMNBI-CQSZACIVSA-N -1 0 306.406 3.650 20 0 DHADRM C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563279178 974525129 /nfs/dbraw/zinc/52/51/29/974525129.db2.gz POGZNGHNWZGPFG-GFCCVEGCSA-N -1 0 316.426 3.883 20 0 DHADRM CCN(CC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000931265600 1032085786 /nfs/dbraw/zinc/08/57/86/1032085786.db2.gz DZKXRTFYDNKVIM-UHFFFAOYSA-N -1 0 316.106 3.723 20 0 DHADRM CC(C)[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1Cl ZINC000565225514 974575565 /nfs/dbraw/zinc/57/55/65/974575565.db2.gz RCHPUWCRGIUTPB-BDJLRTHQSA-N -1 0 311.809 3.654 20 0 DHADRM O=C([O-])c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000565780313 974588790 /nfs/dbraw/zinc/58/87/90/974588790.db2.gz QQLJCIZAEXEARE-UHFFFAOYSA-N -1 0 319.298 3.688 20 0 DHADRM Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2oncc2C(=O)[O-])cc1 ZINC000567359503 974633110 /nfs/dbraw/zinc/63/31/10/974633110.db2.gz XGYSHTQKCWTJKR-GUYCJALGSA-N -1 0 314.385 3.654 20 0 DHADRM O=C([O-])C[C@H]1CCCN1c1ccnc2cc(C(F)(F)F)ccc21 ZINC000567984594 974652298 /nfs/dbraw/zinc/65/22/98/974652298.db2.gz UODJCYSGFJEHDD-LLVKDONJSA-N -1 0 324.302 3.697 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000568246421 974663110 /nfs/dbraw/zinc/66/31/10/974663110.db2.gz NFCAFRDZIJJNEO-NSHDSACASA-N -1 0 303.383 3.855 20 0 DHADRM CN(Cc1ccco1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000568281274 974663934 /nfs/dbraw/zinc/66/39/34/974663934.db2.gz FKRASXQOJIQKFC-CYBMUJFWSA-N -1 0 313.275 3.556 20 0 DHADRM CCOc1ccccc1CN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000569700905 974697072 /nfs/dbraw/zinc/69/70/72/974697072.db2.gz MFEFOEZUHDLTCW-ZDUSSCGKSA-N -1 0 317.385 3.878 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C)Cc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000570436055 974711757 /nfs/dbraw/zinc/71/17/57/974711757.db2.gz YWBNDWYDMHHXKI-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1CCC(F)(F)F ZINC000573578443 974767924 /nfs/dbraw/zinc/76/79/24/974767924.db2.gz PCIYVEGVOROFLS-JTQLQIEISA-N -1 0 317.307 3.621 20 0 DHADRM 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CSLVJSOQRDLRNT-UHFFFAOYSA-N -1 0 313.401 3.809 20 0 DHADRM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(C2CC2)cc1 ZINC000580762825 1014339103 /nfs/dbraw/zinc/33/91/03/1014339103.db2.gz IKAHPHDXARJHEV-QMMMGPOBSA-N -1 0 322.817 3.871 20 0 DHADRM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(C2CC2)cc1 ZINC000580762822 1014339379 /nfs/dbraw/zinc/33/93/79/1014339379.db2.gz IKAHPHDXARJHEV-MRVPVSSYSA-N -1 0 322.817 3.871 20 0 DHADRM CC(C)c1ccccc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591995015 976638882 /nfs/dbraw/zinc/63/88/82/976638882.db2.gz RDWFMIPCZNHHKV-UHFFFAOYSA-N -1 0 323.352 3.637 20 0 DHADRM CC(C)c1csc(CNCc2cc(C(=O)[O-])c(C(C)C)[nH]2)n1 ZINC001592008387 976676283 /nfs/dbraw/zinc/67/62/83/976676283.db2.gz KRGBYCHLAVBTEJ-UHFFFAOYSA-N -1 0 321.446 3.706 20 0 DHADRM CC(C)c1nc(NC(=O)C23CCC(CC2)CC3)sc1C(=O)[O-] ZINC001592022235 976719390 /nfs/dbraw/zinc/71/93/90/976719390.db2.gz MYHJXNVOMKJWLC-UHFFFAOYSA-N -1 0 322.430 3.874 20 0 DHADRM CC(C)c1nc(NC[C@H](CC(=O)[O-])C2CC2)cc(C(C)(C)C)n1 ZINC001592030265 976734053 /nfs/dbraw/zinc/73/40/53/976734053.db2.gz HQCQLABWJJCQAD-ZDUSSCGKSA-N -1 0 319.449 3.810 20 0 DHADRM CC(C)c1nc(NC[C@H](CC2CC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030289 976735346 /nfs/dbraw/zinc/73/53/46/976735346.db2.gz JFSCYNHPYKMEDF-ZDUSSCGKSA-N -1 0 319.449 3.810 20 0 DHADRM CC(C)c1ocnc1C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592102800 976875062 /nfs/dbraw/zinc/87/50/62/976875062.db2.gz UWSISEQKLVLJTC-UHFFFAOYSA-N -1 0 323.732 3.507 20 0 DHADRM CC(C)c1nocc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592105789 976880850 /nfs/dbraw/zinc/88/08/50/976880850.db2.gz KFVLUFNAQMIHCF-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592181354 977103020 /nfs/dbraw/zinc/10/30/20/977103020.db2.gz KURXAMMMMZMTMJ-AWEZNQCLSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@H](C1CC1)n1nccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001592181825 977112719 /nfs/dbraw/zinc/11/27/19/977112719.db2.gz SBVHQCJIXQSAIU-SNVBAGLBSA-N -1 0 319.792 3.818 20 0 DHADRM C[C@@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)CC(C)(C)C ZINC001592236194 977443472 /nfs/dbraw/zinc/44/34/72/977443472.db2.gz LYCJGCZLQYVGHS-LBPRGKRZSA-N -1 0 318.417 3.521 20 0 DHADRM C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)CC(C)(C)C ZINC001592254371 977489412 /nfs/dbraw/zinc/48/94/12/977489412.db2.gz HAQJHKKNYVYHIS-WFASDCNBSA-N -1 0 323.408 3.573 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)NC(C1CCCCC1)C1CCCCC1 ZINC001592344418 977798908 /nfs/dbraw/zinc/79/89/08/977798908.db2.gz CPJWSLIPJZCDFM-CYBMUJFWSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001592367065 977870509 /nfs/dbraw/zinc/87/05/09/977870509.db2.gz IKABXVYSBILYIT-WRWORJQWSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC001592370450 977884124 /nfs/dbraw/zinc/88/41/24/977884124.db2.gz JMFLNTGKXJOIJY-UKRRQHHQSA-N -1 0 317.429 3.739 20 0 DHADRM CC(C)c1cccc2c1N(C(=O)C[C@@H](C)CC(=O)[O-])CCC2 ZINC001592374605 977902001 /nfs/dbraw/zinc/90/20/01/977902001.db2.gz CGEYEJHUOUFWLO-CYBMUJFWSA-N -1 0 303.402 3.590 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001592375645 977912071 /nfs/dbraw/zinc/91/20/71/977912071.db2.gz OWFXSFHNTXQKDG-GOEBONIOSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001592381213 977918140 /nfs/dbraw/zinc/91/81/40/977918140.db2.gz DCLBGKBPBYSPSD-RHSMWYFYSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001592382152 977923940 /nfs/dbraw/zinc/92/39/40/977923940.db2.gz ZDMOYCVGYVCCIV-LNSITVRQSA-N -1 0 323.820 3.593 20 0 DHADRM CCCC[C@H](CC)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000684109582 1014445402 /nfs/dbraw/zinc/44/54/02/1014445402.db2.gz GPCDYAINSYCRBI-INIZCTEOSA-N -1 0 305.418 3.706 20 0 DHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC001592423816 978041816 /nfs/dbraw/zinc/04/18/16/978041816.db2.gz HRQXEDUMZGIIAG-BMIGLBTASA-N -1 0 322.744 3.796 20 0 DHADRM C[C@H](OC(=O)C[C@H](C)c1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001592429611 978056465 /nfs/dbraw/zinc/05/64/65/978056465.db2.gz OCAVYCRRLQNXCP-QWRGUYRKSA-N -1 0 320.316 3.915 20 0 DHADRM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001592439912 978093614 /nfs/dbraw/zinc/09/36/14/978093614.db2.gz PVUXOQDRTITPNP-FZMZJTMJSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@@H](CC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001592439914 978093766 /nfs/dbraw/zinc/09/37/66/978093766.db2.gz PVUXOQDRTITPNP-SMDDNHRTSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592445300 978111794 /nfs/dbraw/zinc/11/17/94/978111794.db2.gz ZTEAZXTYSOZMDK-CHWSQXEVSA-N -1 0 320.433 3.896 20 0 DHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592454414 978164324 /nfs/dbraw/zinc/16/43/24/978164324.db2.gz OQJSWNHKLWAPDG-LURJTMIESA-N -1 0 309.671 3.565 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)C1(Cc2cccs2)CCCCC1 ZINC000909449114 1014463728 /nfs/dbraw/zinc/46/37/28/1014463728.db2.gz LUNODLGYTJOUKN-ZDUSSCGKSA-N -1 0 323.458 3.611 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001592465294 978205727 /nfs/dbraw/zinc/20/57/27/978205727.db2.gz CXYBEGBHDKIGBR-MNOVXSKESA-N -1 0 309.362 3.584 20 0 DHADRM CCC[C@@H](C(=O)[O-])[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000580936899 1014466401 /nfs/dbraw/zinc/46/64/01/1014466401.db2.gz YCPRIBXELYGVML-KSFYIVLOSA-N -1 0 316.422 3.778 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592477033 978240120 /nfs/dbraw/zinc/24/01/20/978240120.db2.gz CXSLVCVOVGKFLV-LBPRGKRZSA-N -1 0 303.402 3.689 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001592477429 978242550 /nfs/dbraw/zinc/24/25/50/978242550.db2.gz ITUVGWKGWDVFPA-GFCCVEGCSA-N -1 0 321.417 3.810 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001592477678 978246324 /nfs/dbraw/zinc/24/63/24/978246324.db2.gz MQKJLFMUBBOYCY-KBXIAJHMSA-N -1 0 309.450 3.551 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C(=O)[O-] ZINC000389365597 1014472299 /nfs/dbraw/zinc/47/22/99/1014472299.db2.gz VVYXJHWKXFOGCS-ZLKJLUDKSA-N -1 0 303.402 3.556 20 0 DHADRM C[C@@H](CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)CC(C)(C)C ZINC001592512805 978338783 /nfs/dbraw/zinc/33/87/83/978338783.db2.gz GBSYPQLUTLZGJA-YCMKEVRSSA-N -1 0 323.477 3.990 20 0 DHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736919308 978366610 /nfs/dbraw/zinc/36/66/10/978366610.db2.gz HWESZKGPZZGVEX-GFCCVEGCSA-N -1 0 320.439 3.884 20 0 DHADRM CCc1ccc(-c2noc(CNc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000737255478 978392410 /nfs/dbraw/zinc/39/24/10/978392410.db2.gz DKQSDJCHMVYGOT-UHFFFAOYSA-N -1 0 323.352 3.609 20 0 DHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])o1 ZINC001592537096 978409818 /nfs/dbraw/zinc/40/98/18/978409818.db2.gz DAKLGJHKUJDPFC-NSHDSACASA-N -1 0 320.366 3.706 20 0 DHADRM C[C@H](CCc1ccc(O)cc1)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592538762 978415949 /nfs/dbraw/zinc/41/59/49/978415949.db2.gz ASNCQYUBXDFHCH-CQSZACIVSA-N -1 0 313.397 3.843 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1=CCCCCC1)C(=O)[O-] ZINC001592602048 978538251 /nfs/dbraw/zinc/53/82/51/978538251.db2.gz ILXJEEZILQJTRP-OAHLLOKOSA-N -1 0 315.413 3.626 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1CCCC1(C)C)C(=O)[O-] ZINC001592602728 978541802 /nfs/dbraw/zinc/54/18/02/978541802.db2.gz YEMZHVHQLRYYGF-GOEBONIOSA-N -1 0 317.429 3.562 20 0 DHADRM C[C@H](CN(Cc1scnc1Cl)Cc1ccccc1)C(=O)[O-] ZINC001592604655 978545043 /nfs/dbraw/zinc/54/50/43/978545043.db2.gz KKGOMYXXCCQBIR-LLVKDONJSA-N -1 0 324.833 3.519 20 0 DHADRM Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738637442 978578771 /nfs/dbraw/zinc/57/87/71/978578771.db2.gz DGVBKRGHBQYELU-UONOGXRCSA-N -1 0 314.312 3.541 20 0 DHADRM O=C([O-])c1ccc2nc(S[C@@H]3CCCCCC3=O)oc2c1 ZINC000740203419 978672324 /nfs/dbraw/zinc/67/23/24/978672324.db2.gz PVUFVTSRQKZRSJ-CYBMUJFWSA-N -1 0 305.355 3.520 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)NCCCCCC(=O)[O-])cc1 ZINC000746337657 978682164 /nfs/dbraw/zinc/68/21/64/978682164.db2.gz IJXRZTRDBHKKDE-RAXLEYEMSA-N -1 0 317.429 3.759 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000761647651 978712916 /nfs/dbraw/zinc/71/29/16/978712916.db2.gz ALEOOMUXLJUQMH-KXKDPZRNSA-N -1 0 309.793 3.503 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000761729219 978714650 /nfs/dbraw/zinc/71/46/50/978714650.db2.gz KCBAPXHMENBVQI-BENRWUELSA-N -1 0 321.804 3.505 20 0 DHADRM Cc1ccc([C@@H](CNC(=O)CCCCCC(C)C)C(=O)[O-])cc1 ZINC000767169488 978736035 /nfs/dbraw/zinc/73/60/35/978736035.db2.gz CEAMAYBQZKADGB-QGZVFWFLSA-N -1 0 319.445 3.886 20 0 DHADRM CCCCC[C@H](NC(=O)/C=C\c1ccc(Cl)s1)C(=O)[O-] ZINC000776662033 978767166 /nfs/dbraw/zinc/76/71/66/978767166.db2.gz ULPXEJCDNITHBW-DVBBHNHCSA-N -1 0 315.822 3.564 20 0 DHADRM Cc1ccccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427744661 1014522752 /nfs/dbraw/zinc/52/27/52/1014522752.db2.gz AYRCDFAMFRUYKN-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1cccc(Cl)c1 ZINC000776674012 978768766 /nfs/dbraw/zinc/76/87/66/978768766.db2.gz XUMMSAHAYWEZRT-UONOGXRCSA-N -1 0 321.804 3.552 20 0 DHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1csc2ccccc21 ZINC000808508021 978851966 /nfs/dbraw/zinc/85/19/66/978851966.db2.gz ORSOWAMMYWIXLR-LLVKDONJSA-N -1 0 305.399 3.724 20 0 DHADRM CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811811732 978856078 /nfs/dbraw/zinc/85/60/78/978856078.db2.gz FKPAFLKVAIJKSO-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814091 978856963 /nfs/dbraw/zinc/85/69/63/978856963.db2.gz CSKWAUJLGKKKTO-NXEZZACHSA-N -1 0 309.793 3.593 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\C2CCCCC2)cc1F ZINC000817868517 978904284 /nfs/dbraw/zinc/90/42/84/978904284.db2.gz VGQIPZQETUOGCR-TWGQIWQCSA-N -1 0 305.349 3.528 20 0 DHADRM CC(C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])=C1CCCC1 ZINC000825978139 978943301 /nfs/dbraw/zinc/94/33/01/978943301.db2.gz YGEFIDCNSILQEI-AWEZNQCLSA-N -1 0 315.413 3.626 20 0 DHADRM Cc1ccc(CCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)o1 ZINC000832930867 979056914 /nfs/dbraw/zinc/05/69/14/979056914.db2.gz RVWFYXUDJBSVBK-LBPRGKRZSA-N -1 0 302.326 3.523 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000833152692 979097544 /nfs/dbraw/zinc/09/75/44/979097544.db2.gz YBASEIHCWQVXOE-GMXVVIOVSA-N -1 0 320.364 3.614 20 0 DHADRM CC[C@H](C)n1ncc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001595027603 979145325 /nfs/dbraw/zinc/14/53/25/979145325.db2.gz ZEZXTFOSWQBCOV-ZUZCIYMTSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@@H](CC(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccccc1 ZINC001595029773 979160519 /nfs/dbraw/zinc/16/05/19/979160519.db2.gz GAGWQIQENGCYTH-AWEZNQCLSA-N -1 0 315.413 3.569 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001595033017 979172093 /nfs/dbraw/zinc/17/20/93/979172093.db2.gz AFYNCQMSKVPNJG-UXLLHSPISA-N -1 0 317.429 3.590 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000833386358 979176328 /nfs/dbraw/zinc/17/63/28/979176328.db2.gz OJRWBTHRMINMJW-VURMDHGXSA-N -1 0 322.773 3.537 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595035234 979181941 /nfs/dbraw/zinc/18/19/41/979181941.db2.gz AWMRPVWVKHSRNX-IUCKJTJTSA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595036034 979190756 /nfs/dbraw/zinc/19/07/56/979190756.db2.gz NGQUQZOIBRPCKO-SJORKVTESA-N -1 0 319.445 3.651 20 0 DHADRM CC[C@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001595036604 979198021 /nfs/dbraw/zinc/19/80/21/979198021.db2.gz HFVPXPZPDKNGRC-IUDNXUCKSA-N -1 0 304.386 3.757 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595038069 979206718 /nfs/dbraw/zinc/20/67/18/979206718.db2.gz CFXYTZCWVYLJJP-NSHDSACASA-N -1 0 323.355 3.649 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001595039277 979213714 /nfs/dbraw/zinc/21/37/14/979213714.db2.gz PZKCEWGRNPHETB-SFYZADRCSA-N -1 0 308.252 3.561 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595039889 979218176 /nfs/dbraw/zinc/21/81/76/979218176.db2.gz WUWRACNNCZCGIG-VIFPVBQESA-N -1 0 303.280 3.610 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001595041714 979227466 /nfs/dbraw/zinc/22/74/66/979227466.db2.gz CSAWZSAGNZBRMN-SSDOTTSWSA-N -1 0 317.357 3.555 20 0 DHADRM C[C@](CNc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC001592728164 979235661 /nfs/dbraw/zinc/23/56/61/979235661.db2.gz BHTZBBUANTUUFT-QGZVFWFLSA-N -1 0 312.394 3.751 20 0 DHADRM O=C([O-])c1cc(NC(=O)Cc2cccc(F)c2)cc2ccccc21 ZINC000840701576 979273435 /nfs/dbraw/zinc/27/34/35/979273435.db2.gz GWZHKBUZEFUNPB-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM COc1cc(NCc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000840995042 979294980 /nfs/dbraw/zinc/29/49/80/979294980.db2.gz LJAQVBPBILMELX-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM CCC(CC)(CNC(=O)Nc1ccccc1C(F)F)C(=O)[O-] ZINC001595071883 979343908 /nfs/dbraw/zinc/34/39/08/979343908.db2.gz QFRVDBJHOKIFAE-UHFFFAOYSA-N -1 0 314.332 3.637 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)Cc1coc2ccccc12 ZINC000909466731 1014571159 /nfs/dbraw/zinc/57/11/59/1014571159.db2.gz IFUFURHHNLRBKD-UHFFFAOYSA-N -1 0 317.385 3.517 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CCCC(=O)[O-])c1ccc(F)cc1 ZINC000844245648 979390697 /nfs/dbraw/zinc/39/06/97/979390697.db2.gz PBIYCYSAJKRJQH-AWEZNQCLSA-N -1 0 309.381 3.674 20 0 DHADRM C[C@@](COC(=O)c1ccsc1Cl)(C(=O)[O-])c1ccccc1 ZINC001592772341 979391047 /nfs/dbraw/zinc/39/10/47/979391047.db2.gz NSWKFCBIFYNXAQ-HNNXBMFYSA-N -1 0 324.785 3.601 20 0 DHADRM Cc1c2ccccc2oc1[C@H](NC(=O)CCCC(=O)[O-])C(C)C ZINC000844246828 979391467 /nfs/dbraw/zinc/39/14/67/979391467.db2.gz WNYIAMBBKPIYLS-QGZVFWFLSA-N -1 0 317.385 3.809 20 0 DHADRM O=C(/C=C\C1CCCCCC1)NCc1ccc(C(=O)[O-])s1 ZINC000846123644 979408949 /nfs/dbraw/zinc/40/89/49/979408949.db2.gz SJJRBFXHHYJQQQ-YFHOEESVSA-N -1 0 307.415 3.589 20 0 DHADRM CCC(CC)(NCc1nc(C2CCCCC2)cs1)C(=O)[O-] ZINC001595101659 979410528 /nfs/dbraw/zinc/41/05/28/979410528.db2.gz VYZBRQBDIBSMKE-UHFFFAOYSA-N -1 0 310.463 3.924 20 0 DHADRM C/C(=C/CN1CCc2c(Cl)cc(Cl)cc2[C@@H]1C)C(=O)[O-] ZINC000846258425 979429302 /nfs/dbraw/zinc/42/93/02/979429302.db2.gz YLOQUXDBLJKHGD-BNFOFFDWSA-N -1 0 314.212 3.943 20 0 DHADRM CCC(CC)[C@H](C)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595106642 979434962 /nfs/dbraw/zinc/43/49/62/979434962.db2.gz VLHYJHYWHHFLEI-VIFPVBQESA-N -1 0 314.328 3.779 20 0 DHADRM Cc1nc(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])sc1C ZINC000849349090 979499800 /nfs/dbraw/zinc/49/98/00/979499800.db2.gz PSKUTKMSBMGJME-ZDUSSCGKSA-N -1 0 307.440 3.856 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1Cl ZINC000851593180 979502755 /nfs/dbraw/zinc/50/27/55/979502755.db2.gz OKTLZKKSLILFAN-SNVBAGLBSA-N -1 0 307.777 3.947 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)n1 ZINC001595122279 979503402 /nfs/dbraw/zinc/50/34/02/979503402.db2.gz ZVIMPKFUGCZBCA-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594076 979504657 /nfs/dbraw/zinc/50/46/57/979504657.db2.gz FWFZIQUFRFUGOO-LUAWRHEFSA-N -1 0 319.401 3.810 20 0 DHADRM C[C@H](CSCc1cc(F)c(C(F)(F)F)cc1F)C(=O)[O-] ZINC001592825055 979539725 /nfs/dbraw/zinc/53/97/25/979539725.db2.gz BFXMRQLLGRADLR-ZCFIWIBFSA-N -1 0 314.275 3.938 20 0 DHADRM C[C@H](CSCc1coc(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001592830107 979552482 /nfs/dbraw/zinc/55/24/82/979552482.db2.gz HXCUAZGIMDQEDN-MRVPVSSYSA-N -1 0 313.325 3.574 20 0 DHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC001592831746 979558532 /nfs/dbraw/zinc/55/85/32/979558532.db2.gz DSTZCKUAYBUUCV-ZDUSSCGKSA-N -1 0 323.458 3.517 20 0 DHADRM CCCCCC(C)(C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852956198 979589379 /nfs/dbraw/zinc/58/93/79/979589379.db2.gz GZKJFGNMFABQJD-INIZCTEOSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000856993984 979621426 /nfs/dbraw/zinc/62/14/26/979621426.db2.gz ROYOZCQKKRLVNL-QWRGUYRKSA-N -1 0 312.435 3.625 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001592858098 979668634 /nfs/dbraw/zinc/66/86/34/979668634.db2.gz OGZQJFNYECETDM-TTZDDIAXSA-N -1 0 317.429 3.961 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CC2(C)CCCC2)cc1)C(=O)[O-] ZINC001592859388 979682631 /nfs/dbraw/zinc/68/26/31/979682631.db2.gz RZYVZCBWQHETCY-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1C(=O)[O-] ZINC000864102100 979685931 /nfs/dbraw/zinc/68/59/31/979685931.db2.gz DWXUQUASJPTQME-UHFFFAOYSA-N -1 0 315.394 3.560 20 0 DHADRM Cc1ccc(C(=O)N(Cc2cccs2)C(C)C)cc1C(=O)[O-] ZINC000864103046 979688063 /nfs/dbraw/zinc/68/80/63/979688063.db2.gz FQTNRMBOEQXWQJ-UHFFFAOYSA-N -1 0 317.410 3.806 20 0 DHADRM CC1CCC(N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC000864104448 979691029 /nfs/dbraw/zinc/69/10/29/979691029.db2.gz KLDHJSFLVYHWHB-CMDGGOBGSA-N -1 0 317.385 3.561 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N2[C@H](C)CCC2(C)C)cc1)C(=O)[O-] ZINC001592860996 979694730 /nfs/dbraw/zinc/69/47/30/979694730.db2.gz NLXMKRMBICYFRW-QWHCGFSZSA-N -1 0 318.417 3.745 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592861534 979698909 /nfs/dbraw/zinc/69/89/09/979698909.db2.gz SXKQWLXILAZCOR-CJNGLKHVSA-N -1 0 318.417 3.602 20 0 DHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC000864110182 979700452 /nfs/dbraw/zinc/70/04/52/979700452.db2.gz MDJHTJQSFXMVMH-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000864110322 979700563 /nfs/dbraw/zinc/70/05/63/979700563.db2.gz ALSNOOJRJFSBHX-IBGZPJMESA-N -1 0 313.397 3.656 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC3(CCCCC3)C2)o1 ZINC000864110641 979701473 /nfs/dbraw/zinc/70/14/73/979701473.db2.gz UQFUQMCHCUMAGW-VURMDHGXSA-N -1 0 317.385 3.564 20 0 DHADRM C[C@@H](Cc1ccc(Nc2cc(C(C)(C)C)ncn2)cc1)C(=O)[O-] ZINC001592883306 979759719 /nfs/dbraw/zinc/75/97/19/979759719.db2.gz PQHYYTPXQQVVFS-LBPRGKRZSA-N -1 0 313.401 3.781 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC3(CCCC3)CC2)c1 ZINC000864155905 979767667 /nfs/dbraw/zinc/76/76/67/979767667.db2.gz LOMGVLLFXOTNII-PLNGDYQASA-N -1 0 317.385 3.564 20 0 DHADRM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592885500 979770288 /nfs/dbraw/zinc/77/02/88/979770288.db2.gz OYIUPHADVCZOIQ-SNVBAGLBSA-N -1 0 322.357 3.507 20 0 DHADRM C[C@H](Cc1ccccc1Cl)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001592891221 979782714 /nfs/dbraw/zinc/78/27/14/979782714.db2.gz OHRMOBOCXOBOAH-LKSINWNRSA-N -1 0 324.804 3.705 20 0 DHADRM CCc1ccc(N(CC(C)C)C(=O)CCCCC(=O)[O-])cc1 ZINC000864178125 979823415 /nfs/dbraw/zinc/82/34/15/979823415.db2.gz WXYGFSJZSCMBKD-UHFFFAOYSA-N -1 0 305.418 3.883 20 0 DHADRM Cc1ccc(C(=O)N2CCCC23CCCCC3)cc1C(=O)[O-] ZINC000864178170 979823913 /nfs/dbraw/zinc/82/39/13/979823913.db2.gz XWYDBCIHMZQTPR-UHFFFAOYSA-N -1 0 301.386 3.632 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)F)c2)C1 ZINC000864202167 979881115 /nfs/dbraw/zinc/88/11/15/979881115.db2.gz OIQYGIFSAJIEER-IUCAKERBSA-N -1 0 315.291 3.593 20 0 DHADRM Cc1ccc2c(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)csc2c1 ZINC000864203803 979884683 /nfs/dbraw/zinc/88/46/83/979884683.db2.gz JSUVQIKNSGMRHP-QGZVFWFLSA-N -1 0 317.410 3.583 20 0 DHADRM CC(C)OCc1cccc(-c2cc(F)ccc2OCC(=O)[O-])c1 ZINC000581201560 1014610514 /nfs/dbraw/zinc/61/05/14/1014610514.db2.gz CTOWKIWSYFXVCO-UHFFFAOYSA-N -1 0 318.344 3.881 20 0 DHADRM CCCCO[C@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225998 979911658 /nfs/dbraw/zinc/91/16/58/979911658.db2.gz XXPPAQQAWVZGSW-GFCCVEGCSA-N -1 0 315.369 3.682 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595210705 979985092 /nfs/dbraw/zinc/98/50/92/979985092.db2.gz JMYOJUHINONCCL-OAHLLOKOSA-N -1 0 312.365 3.868 20 0 DHADRM CC[C@@H](Cc1ccccc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595212452 980000071 /nfs/dbraw/zinc/00/00/71/980000071.db2.gz DVIGDGZPWOVQJH-INIZCTEOSA-N -1 0 323.396 3.554 20 0 DHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595219985 980044805 /nfs/dbraw/zinc/04/48/05/980044805.db2.gz VDBUPKJYXPVKLD-CYBMUJFWSA-N -1 0 314.385 3.537 20 0 DHADRM CC[C@](NC(=O)C1C[C@@H](C)C[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595236881 980140696 /nfs/dbraw/zinc/14/06/96/980140696.db2.gz RFWPDOVOTLIVAO-CKFHNAJUSA-N -1 0 317.429 3.565 20 0 DHADRM CC[C@@](NC(=O)[C@@H]1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237818 980150613 /nfs/dbraw/zinc/15/06/13/980150613.db2.gz WFJWYERCWMZHOA-GUYCJALGSA-N -1 0 323.820 3.582 20 0 DHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1csc(C)c1 ZINC001595243171 980172996 /nfs/dbraw/zinc/17/29/96/980172996.db2.gz UQEMDFMFLZDDQL-HNNXBMFYSA-N -1 0 317.410 3.565 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C1CCCCC1 ZINC001595253115 980227570 /nfs/dbraw/zinc/22/75/70/980227570.db2.gz UMMNIYRUWNCMBV-GFCCVEGCSA-N -1 0 310.419 3.927 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccc([C@H]3CCC(=O)N3)cc2)s1 ZINC000901088092 980259689 /nfs/dbraw/zinc/25/96/89/980259689.db2.gz ZGKROEQQZXAKPD-GXFFZTMASA-N -1 0 315.394 3.554 20 0 DHADRM CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1cc(C)ccc1C ZINC001595264702 980271866 /nfs/dbraw/zinc/27/18/66/980271866.db2.gz CRRCNYYCNMXVOX-AWEZNQCLSA-N -1 0 315.369 3.784 20 0 DHADRM CC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001595275017 980297425 /nfs/dbraw/zinc/29/74/25/980297425.db2.gz ZGJJQUMFMNSRFD-LBPRGKRZSA-N -1 0 323.801 3.662 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2scnc2C2CC2)C(=O)[O-])c1 ZINC000901538607 980366443 /nfs/dbraw/zinc/36/64/43/980366443.db2.gz ZDFBHODUIRHJBD-INIZCTEOSA-N -1 0 316.426 3.553 20 0 DHADRM CC[C@](NC/C(Cl)=C\Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595289280 980377696 /nfs/dbraw/zinc/37/76/96/980377696.db2.gz IECWYHATPJEZLE-SVTZGKHISA-N -1 0 322.619 3.939 20 0 DHADRM CC[C@@](NCc1scnc1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000901645834 980422990 /nfs/dbraw/zinc/42/29/90/980422990.db2.gz DDIDNNQEZPIVKP-KRWDZBQOSA-N -1 0 316.426 3.500 20 0 DHADRM CC[C@](NCc1cc(C)co1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299293 980425821 /nfs/dbraw/zinc/42/58/21/980425821.db2.gz OPWQNMGYIAVGIA-MRXNPFEDSA-N -1 0 307.777 3.721 20 0 DHADRM CCCCC[C@@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000901723173 980465238 /nfs/dbraw/zinc/46/52/38/980465238.db2.gz TUKMQFGKLXMRIL-CQSZACIVSA-N -1 0 318.442 3.933 20 0 DHADRM CCn1c(CNc2cccc([C@@H](C)C(=O)[O-])c2)nc2ccccc21 ZINC000901815733 980536509 /nfs/dbraw/zinc/53/65/09/980536509.db2.gz KMBHMICUGHOFRI-CYBMUJFWSA-N -1 0 323.396 3.856 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000901816083 980536525 /nfs/dbraw/zinc/53/65/25/980536525.db2.gz SRGMEZURPIDMQG-ZFVVBOAOSA-N -1 0 315.413 3.634 20 0 DHADRM CC[C@@H](OC(=O)C1(C(F)(F)F)CCCCC1)[C@H](C)C(=O)[O-] ZINC001595334996 980586432 /nfs/dbraw/zinc/58/64/32/980586432.db2.gz HJKNUYRMNOGFLX-VHSXEESVSA-N -1 0 310.312 3.542 20 0 DHADRM CC[C@@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC001595336938 980597386 /nfs/dbraw/zinc/59/73/86/980597386.db2.gz MIAAIUTUZCHNCY-HLRDLLSLSA-N -1 0 314.337 3.994 20 0 DHADRM CC[C@@H](OC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595336996 980597996 /nfs/dbraw/zinc/59/79/96/980597996.db2.gz OZFXAEZIGNNNDZ-OIBJUYFYSA-N -1 0 305.157 3.503 20 0 DHADRM CC[C@H](OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595338115 980604262 /nfs/dbraw/zinc/60/42/62/980604262.db2.gz SWBJFFQINLKBRQ-SKDRFNHKSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018043 980695253 /nfs/dbraw/zinc/69/52/53/980695253.db2.gz SFDHQCBARNUKII-BBRMVZONSA-N -1 0 315.369 3.757 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595356010 980707982 /nfs/dbraw/zinc/70/79/82/980707982.db2.gz WCDQROFCRASPBD-DGCLKSJQSA-N -1 0 324.373 3.628 20 0 DHADRM C[C@H](Nc1cccc(C2SCCS2)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902080597 980722983 /nfs/dbraw/zinc/72/29/83/980722983.db2.gz SHSZMLAUIGWDHL-ZWKOPEQDSA-N -1 0 309.456 3.686 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1 ZINC000902089336 980728428 /nfs/dbraw/zinc/72/84/28/980728428.db2.gz VFWLDFDJYURYNH-LBPRGKRZSA-N -1 0 318.417 3.727 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902101066 980734525 /nfs/dbraw/zinc/73/45/25/980734525.db2.gz ILDNPBBFUUFYCS-DVOMOZLQSA-N -1 0 318.417 3.582 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC001595359036 980737660 /nfs/dbraw/zinc/73/76/60/980737660.db2.gz OMLKCQCXGMUALE-CQSZACIVSA-N -1 0 320.366 3.592 20 0 DHADRM CCc1oc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000902108080 980737773 /nfs/dbraw/zinc/73/77/73/980737773.db2.gz JMJVOWHTAPUFFN-ZWNOBZJWSA-N -1 0 303.358 3.546 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595359241 980739628 /nfs/dbraw/zinc/73/96/28/980739628.db2.gz UOEGJXLWOZRMQL-CYBMUJFWSA-N -1 0 318.398 3.531 20 0 DHADRM CC[C@@H](Sc1nccn1-c1ccccc1C(C)C)C(=O)[O-] ZINC001595359328 980740394 /nfs/dbraw/zinc/74/03/94/980740394.db2.gz XHWUQKCAJJAQTL-CQSZACIVSA-N -1 0 304.415 3.951 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(CN3CCCC(F)(F)C3)o2)cc1 ZINC000902126298 980747330 /nfs/dbraw/zinc/74/73/30/980747330.db2.gz UNTVSWGXJFCYIL-UHFFFAOYSA-N -1 0 321.323 3.876 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1sccc1F ZINC001595360270 980750845 /nfs/dbraw/zinc/75/08/45/980750845.db2.gz FMVGPXSOYQENPC-ZDUSSCGKSA-N -1 0 321.373 3.565 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001595361614 980763638 /nfs/dbraw/zinc/76/36/38/980763638.db2.gz KSQHPFLRWIOZIU-CQSZACIVSA-N -1 0 317.429 3.733 20 0 DHADRM CCC1(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCCCC1 ZINC001595365674 980807711 /nfs/dbraw/zinc/80/77/11/980807711.db2.gz CVIZDBRZAVTWOD-OAHLLOKOSA-N -1 0 309.450 3.887 20 0 DHADRM CC[C@]1(C)CCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001595370674 980843403 /nfs/dbraw/zinc/84/34/03/980843403.db2.gz BYXWKXVIAOLGLS-OAHLLOKOSA-N -1 0 310.419 3.717 20 0 DHADRM CCC1(C)CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001595370941 980845650 /nfs/dbraw/zinc/84/56/50/980845650.db2.gz KEMVWSPROQWYGY-UHFFFAOYSA-N -1 0 309.793 3.691 20 0 DHADRM C[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)CC1(c2ccccc2)CC1 ZINC000902359942 980852217 /nfs/dbraw/zinc/85/22/17/980852217.db2.gz QGIHUKFUEGLCMC-KTKRTIGZSA-N -1 0 311.381 3.541 20 0 DHADRM Cc1cc(CNC2(c3ccc(Cl)cc3)CC2)oc1C(=O)[O-] ZINC000902365191 980855238 /nfs/dbraw/zinc/85/52/38/980855238.db2.gz VVUBUPURQHUFNK-UHFFFAOYSA-N -1 0 305.761 3.719 20 0 DHADRM COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccoc1C(=O)[O-] ZINC000902388186 980867106 /nfs/dbraw/zinc/86/71/06/980867106.db2.gz VCPYIKDXEMCERL-OAHLLOKOSA-N -1 0 317.385 3.863 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cccc2c1OCCCO2 ZINC000902417308 980877318 /nfs/dbraw/zinc/87/73/18/980877318.db2.gz BPISZONNCONFIO-LBPRGKRZSA-N -1 0 307.390 3.539 20 0 DHADRM CC(C)(NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1F ZINC000902441420 980887946 /nfs/dbraw/zinc/88/79/46/980887946.db2.gz RFZZRVKXOHYQAI-UHFFFAOYSA-N -1 0 311.740 3.795 20 0 DHADRM CCC1(CC)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595375081 980890926 /nfs/dbraw/zinc/89/09/26/980890926.db2.gz PJJHGOSMPXTPPL-UHFFFAOYSA-N -1 0 304.390 3.880 20 0 DHADRM CCC1(CC)CN(C(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC001595375755 980899075 /nfs/dbraw/zinc/89/90/75/980899075.db2.gz VCYNDLJYZVIRAD-UHFFFAOYSA-N -1 0 317.429 3.982 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(CN(CC(F)F)C3CC3)o2)cc1 ZINC000902517319 980917392 /nfs/dbraw/zinc/91/73/92/980917392.db2.gz RQEAIXXYSDVZEC-UHFFFAOYSA-N -1 0 321.323 3.874 20 0 DHADRM CSc1ccc(NC[C@H]2CC2(Cl)Cl)cc1C(=O)[O-] ZINC000902570876 980939005 /nfs/dbraw/zinc/93/90/05/980939005.db2.gz WPGKNNJZZQSDTQ-SSDOTTSWSA-N -1 0 306.214 3.712 20 0 DHADRM CCC1=C(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCCO1 ZINC001595399871 980974070 /nfs/dbraw/zinc/97/40/70/980974070.db2.gz ZZOMPMFQHLDTME-UHFFFAOYSA-N -1 0 321.398 3.520 20 0 DHADRM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595415479 981028377 /nfs/dbraw/zinc/02/83/77/981028377.db2.gz CZSOTLYTXZBCEJ-HEHGZKQESA-N -1 0 318.417 3.745 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595435104 981062683 /nfs/dbraw/zinc/06/26/83/981062683.db2.gz GIOFTDJSEZWHRY-APPDUMDISA-N -1 0 307.365 3.987 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001595435566 981065472 /nfs/dbraw/zinc/06/54/72/981065472.db2.gz LHPBIMHTFFHNDX-LPMFXHHGSA-N -1 0 315.413 3.808 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595435730 981066105 /nfs/dbraw/zinc/06/61/05/981066105.db2.gz MBILROUCWNRDJN-CMPLNLGQSA-N -1 0 300.358 3.631 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCC[C@H]1CC)c1ccccc1 ZINC001595436158 981068113 /nfs/dbraw/zinc/06/81/13/981068113.db2.gz PIMFSLQHAAQVSB-KBMXLJTQSA-N -1 0 303.402 3.709 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595439256 981074286 /nfs/dbraw/zinc/07/42/86/981074286.db2.gz CUMPTEANPRJYTG-CZUORRHYSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595439088 981074293 /nfs/dbraw/zinc/07/42/93/981074293.db2.gz BUGGJVJRXWSAAT-WCQYABFASA-N -1 0 323.820 3.984 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595439282 981074717 /nfs/dbraw/zinc/07/47/17/981074717.db2.gz DFEALZGDDXXFBV-GJZGRUSLSA-N -1 0 318.417 3.652 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595440406 981077031 /nfs/dbraw/zinc/07/70/31/981077031.db2.gz JMEKCGCMYOOZEE-GHMZBOCLSA-N -1 0 310.419 3.784 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595440817 981077932 /nfs/dbraw/zinc/07/79/32/981077932.db2.gz LKOQSBSVYVEARB-ONGXEEELSA-N -1 0 310.781 3.588 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595441940 981081221 /nfs/dbraw/zinc/08/12/21/981081221.db2.gz WCDBMKVAWJTKSF-ONGXEEELSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595444252 981087054 /nfs/dbraw/zinc/08/70/54/981087054.db2.gz LSQVTAXIFXNXHN-ABAIWWIYSA-N -1 0 322.380 3.543 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595445153 981092132 /nfs/dbraw/zinc/09/21/32/981092132.db2.gz WTQOMOKEFZFUKY-CABCVRRESA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595445152 981092229 /nfs/dbraw/zinc/09/22/29/981092229.db2.gz WRYYHJSQLMVSID-TZMCWYRMSA-N -1 0 319.405 3.521 20 0 DHADRM C[C@@H]1CC2(CC(Nc3cc4ccccc4c(C(=O)[O-])c3)C2)CO1 ZINC000905714978 981120572 /nfs/dbraw/zinc/12/05/72/981120572.db2.gz UBOUDOFMXNTZJA-CMQUCMFRSA-N -1 0 311.381 3.908 20 0 DHADRM CC[C@H]1CN(CC2(CC(=O)[O-])CC2)c2cccc(Cl)c2O1 ZINC001595489403 981238796 /nfs/dbraw/zinc/23/87/96/981238796.db2.gz UWQIQANUFUDMDQ-NSHDSACASA-N -1 0 309.793 3.572 20 0 DHADRM CCC(CC)(CC(=O)Nc1cccc(F)c1SC)C(=O)[O-] ZINC000656485539 1014718739 /nfs/dbraw/zinc/71/87/39/1014718739.db2.gz CDBZMHZZRKGWCE-UHFFFAOYSA-N -1 0 313.394 3.767 20 0 DHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595504594 981279181 /nfs/dbraw/zinc/27/91/81/981279181.db2.gz NZOLWWBYKLCWKD-SFHVURJKSA-N -1 0 323.392 3.843 20 0 DHADRM CC/C=C(\F)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001595507317 981288758 /nfs/dbraw/zinc/28/87/58/981288758.db2.gz DCZKDLCDOFOWAG-ACAGNQJTSA-N -1 0 317.316 3.505 20 0 DHADRM CC/C=C(\C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595508844 981298102 /nfs/dbraw/zinc/29/81/02/981298102.db2.gz YOIAXFVPELXUFA-QPJJXVBHSA-N -1 0 302.157 3.986 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc2ccccc21)C1CCC1 ZINC000581347520 1014724224 /nfs/dbraw/zinc/72/42/24/1014724224.db2.gz BWGYINZGLFGWQW-LBPRGKRZSA-N -1 0 312.369 3.699 20 0 DHADRM CCCC(=CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)CCC ZINC001595522028 981343734 /nfs/dbraw/zinc/34/37/34/981343734.db2.gz JIAGUVRVWGUBMP-MRXNPFEDSA-N -1 0 321.392 3.637 20 0 DHADRM O=C([O-])C12CC(C(=O)Nc3cccc(Nc4ccccc4)c3)(C1)C2 ZINC000908725320 981348593 /nfs/dbraw/zinc/34/85/93/981348593.db2.gz SMUUTJZMMPXABL-UHFFFAOYSA-N -1 0 322.364 3.624 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(C(F)F)c3)(CC1)CC2 ZINC000908771859 981359339 /nfs/dbraw/zinc/35/93/39/981359339.db2.gz VKPGZHYJTJYQML-UHFFFAOYSA-N -1 0 323.339 3.988 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000908802857 981366067 /nfs/dbraw/zinc/36/60/67/981366067.db2.gz JSQFEYLKOIZQLV-ZNMIVQPWSA-N -1 0 319.401 3.614 20 0 DHADRM CCC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001595532167 981370977 /nfs/dbraw/zinc/37/09/77/981370977.db2.gz FYANPRAQDXNYRV-KRWDZBQOSA-N -1 0 323.392 3.858 20 0 DHADRM CCC[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001595538426 981391605 /nfs/dbraw/zinc/39/16/05/981391605.db2.gz KUQQHICGAPKHCQ-CQSZACIVSA-N -1 0 302.326 3.605 20 0 DHADRM CCCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001595539260 981398083 /nfs/dbraw/zinc/39/80/83/981398083.db2.gz ZLZUKRJTJVGTNE-UHFFFAOYSA-N -1 0 301.745 3.942 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCSC(C)(C)C ZINC000909082428 981414853 /nfs/dbraw/zinc/41/48/53/981414853.db2.gz AVJHLNJGXSAMJV-UHFFFAOYSA-N -1 0 309.431 3.944 20 0 DHADRM CC/C(C)=C/C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224966 981437257 /nfs/dbraw/zinc/43/72/57/981437257.db2.gz XGADTNLUWZWXSC-FMIVXFBMSA-N -1 0 307.415 3.689 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595571588 981480690 /nfs/dbraw/zinc/48/06/90/981480690.db2.gz KVKJYUJXARJBCA-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595573070 981486475 /nfs/dbraw/zinc/48/64/75/981486475.db2.gz QQGRNLGWOGOGRY-LSDHHAIUSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595573064 981486579 /nfs/dbraw/zinc/48/65/79/981486579.db2.gz QQGRNLGWOGOGRY-CABCVRRESA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC000909415480 981489388 /nfs/dbraw/zinc/48/93/88/981489388.db2.gz WCLNVYWVVXEEET-UHFFFAOYSA-N -1 0 319.382 3.660 20 0 DHADRM CCC[C@@H](C)CCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595573999 981489966 /nfs/dbraw/zinc/48/99/66/981489966.db2.gz NNKAUWZMGVTBKE-LLVKDONJSA-N -1 0 317.389 3.814 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595575169 981495233 /nfs/dbraw/zinc/49/52/33/981495233.db2.gz YNWHDVSBBLMYCE-PBHICJAKSA-N -1 0 317.429 3.745 20 0 DHADRM CCC[C@@H](C)CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595575299 981495990 /nfs/dbraw/zinc/49/59/90/981495990.db2.gz YHWPMPOJERTGMX-SECBINFHSA-N -1 0 314.332 3.611 20 0 DHADRM Cc1sccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000909476997 981504853 /nfs/dbraw/zinc/50/48/53/981504853.db2.gz WONHZTKHOJWJDE-UHFFFAOYSA-N -1 0 317.410 3.564 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595579069 981504977 /nfs/dbraw/zinc/50/49/77/981504977.db2.gz PGQJPAPLIYTOLS-TUKIKUTGSA-N -1 0 304.390 3.527 20 0 DHADRM CCC[C@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512989 981519635 /nfs/dbraw/zinc/51/96/35/981519635.db2.gz LAUKQFGCNINRDG-KGLIPLIRSA-N -1 0 319.401 3.535 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595585683 981525185 /nfs/dbraw/zinc/52/51/85/981525185.db2.gz ACOVAQIDXOMFQK-FZMZJTMJSA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595585939 981527943 /nfs/dbraw/zinc/52/79/43/981527943.db2.gz JKYDNVKANILNPN-QMMMGPOBSA-N -1 0 301.745 3.942 20 0 DHADRM CCC[C@@H](CC)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595586031 981528493 /nfs/dbraw/zinc/52/84/93/981528493.db2.gz MPYZPTGLHCLYHE-CYBMUJFWSA-N -1 0 303.402 3.799 20 0 DHADRM CCC[C@H](CC)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595586032 981528638 /nfs/dbraw/zinc/52/86/38/981528638.db2.gz MPYZPTGLHCLYHE-ZDUSSCGKSA-N -1 0 303.402 3.799 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595586196 981529805 /nfs/dbraw/zinc/52/98/05/981529805.db2.gz RMOOMBPTAOXGEX-CKFHNAJUSA-N -1 0 317.429 3.806 20 0 DHADRM CC1(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCCCCC1 ZINC000909553619 981539353 /nfs/dbraw/zinc/53/93/53/981539353.db2.gz QJODLZDEKFUMAF-UHFFFAOYSA-N -1 0 321.461 3.888 20 0 DHADRM CCC[C@@H](CC)SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001595587350 981541063 /nfs/dbraw/zinc/54/10/63/981541063.db2.gz JRININBXRBPGMS-LLVKDONJSA-N -1 0 320.414 3.846 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595587595 981542909 /nfs/dbraw/zinc/54/29/09/981542909.db2.gz RQNXKJOJAWOSCK-GFCCVEGCSA-N -1 0 322.405 3.872 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001595587669 981543620 /nfs/dbraw/zinc/54/36/20/981543620.db2.gz USVLXHAYLXFTOK-CRAIPNDOSA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001595587846 981544313 /nfs/dbraw/zinc/54/43/13/981544313.db2.gz XWSZFVOIJFMZBR-HOTGVXAUSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595587880 981544856 /nfs/dbraw/zinc/54/48/56/981544856.db2.gz YZGHVOFIQGEQEI-NNXHMXCWSA-N -1 0 321.461 3.599 20 0 DHADRM CCC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCCC1 ZINC001595599061 981570664 /nfs/dbraw/zinc/57/06/64/981570664.db2.gz SIPPWKHMLOWXTL-QGZVFWFLSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])C(C)(C)C ZINC001595600407 981579514 /nfs/dbraw/zinc/57/95/14/981579514.db2.gz KMNHEKQNULWFLC-HNNXBMFYSA-N -1 0 305.418 3.648 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)C(C)(C)C ZINC001595600873 981584258 /nfs/dbraw/zinc/58/42/58/981584258.db2.gz YMKXFJKROHSUMR-AWEZNQCLSA-N -1 0 322.405 3.730 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)C(C)(C)C ZINC001595600874 981584503 /nfs/dbraw/zinc/58/45/03/981584503.db2.gz YMKXFJKROHSUMR-CQSZACIVSA-N -1 0 322.405 3.730 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001594746706 981634613 /nfs/dbraw/zinc/63/46/13/981634613.db2.gz AGMUNYOCQIUXPZ-HZPDHXFCSA-N -1 0 319.445 3.908 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001594747569 981638958 /nfs/dbraw/zinc/63/89/58/981638958.db2.gz LIAIGJFIQGNVRY-IRXDYDNUSA-N -1 0 317.429 3.925 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909830931 981648922 /nfs/dbraw/zinc/64/89/22/981648922.db2.gz ATIFPHQVTXABEP-GFCCVEGCSA-N -1 0 300.358 3.509 20 0 DHADRM CC1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000581378342 1014753282 /nfs/dbraw/zinc/75/32/82/1014753282.db2.gz HDJZBRFGWXGHQJ-UHFFFAOYSA-N -1 0 301.308 3.673 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595620015 981684326 /nfs/dbraw/zinc/68/43/26/981684326.db2.gz UHJCVQJWPDGCPM-ABAIWWIYSA-N -1 0 319.405 3.521 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1F ZINC000442856236 1014756610 /nfs/dbraw/zinc/75/66/10/1014756610.db2.gz YNCLGBGQXXWYQV-UHFFFAOYSA-N -1 0 305.330 3.681 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595620491 981690060 /nfs/dbraw/zinc/69/00/60/981690060.db2.gz JXFKSGOFFRAWFF-OIISXLGYSA-N -1 0 317.429 3.705 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC001594762648 981699251 /nfs/dbraw/zinc/69/92/51/981699251.db2.gz YMOPXSZIEOWIJV-OAHLLOKOSA-N -1 0 315.394 3.887 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001595622163 981707214 /nfs/dbraw/zinc/70/72/14/981707214.db2.gz RSBQQPKPCNCLQI-PMPSAXMXSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595622212 981708316 /nfs/dbraw/zinc/70/83/16/981708316.db2.gz SJJKREGIWMVNKT-OIISXLGYSA-N -1 0 317.429 3.843 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)CC1(C)CCCC1)c1ccccc1 ZINC001594767884 981726823 /nfs/dbraw/zinc/72/68/23/981726823.db2.gz KJFLQFOBVISXGU-HNNXBMFYSA-N -1 0 303.402 3.853 20 0 DHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001594775464 981759212 /nfs/dbraw/zinc/75/92/12/981759212.db2.gz RXQGBGIAXCLWCT-KBPBESRZSA-N -1 0 322.357 3.750 20 0 DHADRM CCCC[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)C(C)C ZINC001595627801 981776848 /nfs/dbraw/zinc/77/68/48/981776848.db2.gz VCHSLEKDQCFPDV-OAHLLOKOSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1sccc1Cl ZINC001594785000 981801624 /nfs/dbraw/zinc/80/16/24/981801624.db2.gz JMBJEDOGXGDXEV-CQSZACIVSA-N -1 0 315.822 3.507 20 0 DHADRM CCCC[C@H](C)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595631097 981833033 /nfs/dbraw/zinc/83/30/33/981833033.db2.gz BBMJYQUWLCSMSD-VBNZEHGJSA-N -1 0 318.417 3.917 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595632262 981852087 /nfs/dbraw/zinc/85/20/87/981852087.db2.gz UTLDICWOVVBQSU-ZDUSSCGKSA-N -1 0 318.417 3.666 20 0 DHADRM CCCC[C@@H](CC)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595632347 981853473 /nfs/dbraw/zinc/85/34/73/981853473.db2.gz WNLSDUSJNBSAED-CYBMUJFWSA-N -1 0 307.390 3.564 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595632672 981858985 /nfs/dbraw/zinc/85/89/85/981858985.db2.gz MKXUAWYJPQDKOM-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595632843 981861165 /nfs/dbraw/zinc/86/11/65/981861165.db2.gz SWIQRJWYBPLTSA-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595632846 981861239 /nfs/dbraw/zinc/86/12/39/981861239.db2.gz SYVZWFRJQIPFGH-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594794777 981873914 /nfs/dbraw/zinc/87/39/14/981873914.db2.gz UGYGPBFSPUXDGQ-ZDUSSCGKSA-N -1 0 312.454 3.536 20 0 DHADRM CCCC[C@H](CCC)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595633556 981874021 /nfs/dbraw/zinc/87/40/21/981874021.db2.gz OIAVVJMMKOGNBD-NNGSBXSVSA-N -1 0 309.450 3.887 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594796837 981881988 /nfs/dbraw/zinc/88/19/88/981881988.db2.gz NSQKJRWVBPUDRH-CVSAEHQPSA-N -1 0 309.450 3.599 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594801030 981893985 /nfs/dbraw/zinc/89/39/85/981893985.db2.gz XKKCMGYWTASGIB-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM CCC(C)(C)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594809206 981925137 /nfs/dbraw/zinc/92/51/37/981925137.db2.gz GOTBRVCGRYYYGY-UHFFFAOYSA-N -1 0 300.811 3.513 20 0 DHADRM CCCC[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001595637211 981928352 /nfs/dbraw/zinc/92/83/52/981928352.db2.gz YFCCKTCGCJTWSV-INIZCTEOSA-N -1 0 303.402 3.717 20 0 DHADRM CCC(C)(C)NC(=S)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594809981 981931859 /nfs/dbraw/zinc/93/18/59/981931859.db2.gz QZSHTHYJMXAFGM-UHFFFAOYSA-N -1 0 318.801 3.652 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001594815521 981942447 /nfs/dbraw/zinc/94/24/47/981942447.db2.gz CFFPWRXBABIDFO-UHFFFAOYSA-N -1 0 318.417 3.749 20 0 DHADRM CCCC[C@H](OC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC001595645727 981992265 /nfs/dbraw/zinc/99/22/65/981992265.db2.gz KPKYUSNPUHEWGN-BDAKNGLRSA-N -1 0 304.795 3.692 20 0 DHADRM CCCC[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001595646205 981997706 /nfs/dbraw/zinc/99/77/06/981997706.db2.gz ZVESQDXIPLHEAS-JTQLQIEISA-N -1 0 305.157 3.794 20 0 DHADRM CCCC[C@@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(OC)cc1 ZINC001595647168 982004307 /nfs/dbraw/zinc/00/43/07/982004307.db2.gz XWXZCAJFQRPOGH-CQSZACIVSA-N -1 0 315.373 3.527 20 0 DHADRM CC[C@H](C)n1nc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC000910649682 982041406 /nfs/dbraw/zinc/04/14/06/982041406.db2.gz JINZDCNQNBJHLG-LBPRGKRZSA-N -1 0 321.421 3.526 20 0 DHADRM CCCC[C@@H](SCC(=O)Nc1c(C)cccc1C)C(=O)[O-] ZINC001595655295 982044295 /nfs/dbraw/zinc/04/42/95/982044295.db2.gz JYFMIEDBLKNSNX-CYBMUJFWSA-N -1 0 309.431 3.619 20 0 DHADRM CCCC[C@@H](SCC(=O)Nc1ccc(CC)cc1)C(=O)[O-] ZINC001595656123 982050461 /nfs/dbraw/zinc/05/04/61/982050461.db2.gz UONJRJYZQSSLEN-CQSZACIVSA-N -1 0 309.431 3.564 20 0 DHADRM CCCCC1(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC001595657231 982061181 /nfs/dbraw/zinc/06/11/81/982061181.db2.gz ORVGXQJMZCFHSJ-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CCCC[C@@H](SCc1ccn(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001595657653 982064535 /nfs/dbraw/zinc/06/45/35/982064535.db2.gz POWOBWHRTYMJBU-OAHLLOKOSA-N -1 0 322.405 3.888 20 0 DHADRM Cc1cc(F)ccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910695758 982067117 /nfs/dbraw/zinc/06/71/17/982067117.db2.gz BMSSVCXXFKATGZ-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910698378 982068704 /nfs/dbraw/zinc/06/87/04/982068704.db2.gz CNEVADSWHNJPEA-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM CCCC[C@H](Sc1nc2ccccc2c(NCC)n1)C(=O)[O-] ZINC001595658038 982068844 /nfs/dbraw/zinc/06/88/44/982068844.db2.gz ZZBGJXZTADQTQZ-ZDUSSCGKSA-N -1 0 319.430 3.797 20 0 DHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595660921 982074380 /nfs/dbraw/zinc/07/43/80/982074380.db2.gz OSZWMNVRVFLOPU-CZUORRHYSA-N -1 0 303.402 3.782 20 0 DHADRM CCCCC1CCC(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001595661458 982075812 /nfs/dbraw/zinc/07/58/12/982075812.db2.gz UKGWZPAIPYOLJH-BCLQGDPASA-N -1 0 309.450 3.600 20 0 DHADRM CCCCCC(C)(C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595663318 982082755 /nfs/dbraw/zinc/08/27/55/982082755.db2.gz UMYXYKVFWVEBHW-UHFFFAOYSA-N -1 0 317.429 3.876 20 0 DHADRM O=C(C=C1CCCCC1)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730581 982093541 /nfs/dbraw/zinc/09/35/41/982093541.db2.gz CGJKBGWFBTZTNJ-UHFFFAOYSA-N -1 0 306.387 3.548 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910734906 982097914 /nfs/dbraw/zinc/09/79/14/982097914.db2.gz XLFCQQKZTZXGOU-JQWIXIFHSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595666354 982101281 /nfs/dbraw/zinc/10/12/81/982101281.db2.gz JMUHBKFZMIDEOY-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001595666635 982104607 /nfs/dbraw/zinc/10/46/07/982104607.db2.gz PUSCSRVNUPXLQD-PBHICJAKSA-N -1 0 309.450 3.696 20 0 DHADRM CCCc1occc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743732 982105917 /nfs/dbraw/zinc/10/59/17/982105917.db2.gz QJYRNNVMTYTVIQ-UHFFFAOYSA-N -1 0 320.370 3.517 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595670108 982117127 /nfs/dbraw/zinc/11/71/27/982117127.db2.gz NJDJBOKDPPVPMS-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595670670 982120128 /nfs/dbraw/zinc/12/01/28/982120128.db2.gz STAMRIIFFIVJGZ-GOEBONIOSA-N -1 0 317.429 3.883 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595670921 982121053 /nfs/dbraw/zinc/12/10/53/982121053.db2.gz VPAQHWGFNZHNKB-CYBMUJFWSA-N -1 0 320.433 3.996 20 0 DHADRM CCCCC[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001595671678 982123442 /nfs/dbraw/zinc/12/34/42/982123442.db2.gz AGYDLFMMKUWGPP-PREGVCBESA-N -1 0 317.429 3.720 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001595671700 982124338 /nfs/dbraw/zinc/12/43/38/982124338.db2.gz AUTGMNJGRNAXFR-HIFRSBDPSA-N -1 0 323.820 3.520 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001595672164 982130397 /nfs/dbraw/zinc/13/03/97/982130397.db2.gz MFDVDDOBMRHOHR-SJORKVTESA-N -1 0 319.445 3.966 20 0 DHADRM CCCCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC001595672933 982138253 /nfs/dbraw/zinc/13/82/53/982138253.db2.gz RYLPKWKUJWBMKO-CYBMUJFWSA-N -1 0 321.421 3.896 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2ccc(F)cc2s1)C(=O)[O-] ZINC001595676483 982147149 /nfs/dbraw/zinc/14/71/49/982147149.db2.gz KPCWKVLADVDVFZ-GFCCVEGCSA-N -1 0 323.389 3.804 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001595681335 982161559 /nfs/dbraw/zinc/16/15/59/982161559.db2.gz ONDLMIGSIGFRHY-MRXNPFEDSA-N -1 0 305.418 3.648 20 0 DHADRM CCCCSCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910949344 982173756 /nfs/dbraw/zinc/17/37/56/982173756.db2.gz JUAIGAVEYDQCAW-UHFFFAOYSA-N -1 0 313.444 3.579 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595690251 982193601 /nfs/dbraw/zinc/19/36/01/982193601.db2.gz LCAPYEOITAGUCB-INIZCTEOSA-N -1 0 303.402 3.878 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001594873847 982196747 /nfs/dbraw/zinc/19/67/47/982196747.db2.gz QHSCKDLFVUJTQQ-OLZOCXBDSA-N -1 0 303.402 3.736 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595694434 982211520 /nfs/dbraw/zinc/21/15/20/982211520.db2.gz AGCXIKJTDJLGIQ-CYBMUJFWSA-N -1 0 303.402 3.880 20 0 DHADRM CCCCCC[C@@](C)(CCC)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001595694920 982215468 /nfs/dbraw/zinc/21/54/68/982215468.db2.gz KYRLHMABJZQTCN-SJORKVTESA-N -1 0 315.429 3.788 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595695529 982218699 /nfs/dbraw/zinc/21/86/99/982218699.db2.gz WBSKQSGXXHVWFF-LBPRGKRZSA-N -1 0 309.381 3.998 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001595699160 982255862 /nfs/dbraw/zinc/25/58/62/982255862.db2.gz WXZUWMMSMMYHSM-CYBMUJFWSA-N -1 0 308.422 3.782 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O ZINC001595699136 982256071 /nfs/dbraw/zinc/25/60/71/982256071.db2.gz WEFGFCMEIUAZFT-GFCCVEGCSA-N -1 0 322.405 3.851 20 0 DHADRM CCCCCC[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595699236 982257222 /nfs/dbraw/zinc/25/72/22/982257222.db2.gz YNNSJASGZDSMST-LBPRGKRZSA-N -1 0 324.396 3.933 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594887763 982275584 /nfs/dbraw/zinc/27/55/84/982275584.db2.gz UPPYUKTWHIRLQH-PFJPFISGSA-N -1 0 317.429 3.829 20 0 DHADRM CCCCCCN(CC(=O)[O-])c1ccc(Br)cc1 ZINC001595709307 982292769 /nfs/dbraw/zinc/29/27/69/982292769.db2.gz ZCVNBSNGULQORM-UHFFFAOYSA-N -1 0 314.223 3.920 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595710105 982293248 /nfs/dbraw/zinc/29/32/48/982293248.db2.gz CKWLWDPQCVSQLJ-LLVKDONJSA-N -1 0 313.419 3.679 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001595710880 982296746 /nfs/dbraw/zinc/29/67/46/982296746.db2.gz MYHDEHCBZNJOLT-ZIAGYGMSSA-N -1 0 321.417 3.799 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001595711166 982297384 /nfs/dbraw/zinc/29/73/84/982297384.db2.gz QNUPYLKLIAKGRG-CYBMUJFWSA-N -1 0 321.417 3.871 20 0 DHADRM CCCCN(C(=O)CCc1ccccc1C(=O)[O-])[C@H](C)CC ZINC001595731753 982364248 /nfs/dbraw/zinc/36/42/48/982364248.db2.gz HIFMORSZDYYSIA-CQSZACIVSA-N -1 0 305.418 3.745 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594913307 982429557 /nfs/dbraw/zinc/42/95/57/982429557.db2.gz ZAILMDJURJWMNP-CXAGYDPISA-N -1 0 317.429 3.963 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911452482 982438076 /nfs/dbraw/zinc/43/80/76/982438076.db2.gz NSYWNOVVBZUZAS-FZMZJTMJSA-N -1 0 309.793 3.504 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001594929284 982546927 /nfs/dbraw/zinc/54/69/27/982546927.db2.gz RNSFIOSTIXXNIU-QPUJVOFHSA-N -1 0 312.822 3.818 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001594940152 982612711 /nfs/dbraw/zinc/61/27/11/982612711.db2.gz XXKKGHCTKYWOOA-QRTARXTBSA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594943126 982622487 /nfs/dbraw/zinc/62/24/87/982622487.db2.gz UZPZVXRKZSVQMC-CZUORRHYSA-N -1 0 319.445 3.532 20 0 DHADRM O=C([O-])CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911744395 982626518 /nfs/dbraw/zinc/62/65/18/982626518.db2.gz WLMNNGGPFCTCJB-BJWYYQGGSA-N -1 0 315.413 3.569 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001594944915 982629295 /nfs/dbraw/zinc/62/92/95/982629295.db2.gz KWQMVLZPEOGXMA-MWLCHTKSSA-N -1 0 323.776 3.705 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001594946372 982641209 /nfs/dbraw/zinc/64/12/09/982641209.db2.gz OGVOBHUPJCSVIZ-WDEREUQCSA-N -1 0 311.447 3.665 20 0 DHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595816069 982670164 /nfs/dbraw/zinc/67/01/64/982670164.db2.gz GFLDAWOMRLROSM-OLZOCXBDSA-N -1 0 323.820 3.974 20 0 DHADRM CCCN(C(=O)/C=C(/CC)c1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC001595817023 982677399 /nfs/dbraw/zinc/67/73/99/982677399.db2.gz OFTSUHTWEOKTEV-NPRUJURCSA-N -1 0 323.820 3.845 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001594958597 982699331 /nfs/dbraw/zinc/69/93/31/982699331.db2.gz DKOCMJBQHBXWNJ-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001594959527 982707794 /nfs/dbraw/zinc/70/77/94/982707794.db2.gz XIEUBTJBKOWFQE-LLVKDONJSA-N -1 0 317.389 3.806 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCOc1ccccc1 ZINC000923088871 982715782 /nfs/dbraw/zinc/71/57/82/982715782.db2.gz TYAFPWUIELRAPZ-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CC(C)(C)CC(F)F ZINC000923092068 982717112 /nfs/dbraw/zinc/71/71/12/982717112.db2.gz HYWAFJYDLYKWHE-UHFFFAOYSA-N -1 0 305.346 3.765 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1csc(CC(C)C)n1 ZINC000923096975 982720889 /nfs/dbraw/zinc/72/08/89/982720889.db2.gz SGHIRERPZIRSPW-UHFFFAOYSA-N -1 0 324.427 3.662 20 0 DHADRM CCCN(C)c1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001595839177 982749788 /nfs/dbraw/zinc/74/97/88/982749788.db2.gz ATIBVIKIFWYFLS-UHFFFAOYSA-N -1 0 318.398 3.545 20 0 DHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000008690402 1014871462 /nfs/dbraw/zinc/87/14/62/1014871462.db2.gz WWPJGGDQNUGRGK-UHFFFAOYSA-N -1 0 304.415 3.570 20 0 DHADRM O=C([O-])CC1(NC(=O)c2ccc3c(c2)CCC=C3)CCCCC1 ZINC001594982946 982784498 /nfs/dbraw/zinc/78/44/98/982784498.db2.gz NLNDSQPCUUBXDX-UHFFFAOYSA-N -1 0 313.397 3.553 20 0 DHADRM CCCc1occc1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC000923212152 982842079 /nfs/dbraw/zinc/84/20/79/982842079.db2.gz KLVLJGCWJOJESF-UHFFFAOYSA-N -1 0 307.390 3.530 20 0 DHADRM CC[C@@H](C)NC(=O)CSc1cc2ccccc2cc1C(=O)[O-] ZINC001594992378 982862408 /nfs/dbraw/zinc/86/24/08/982862408.db2.gz UXFUTDXEPYJFRM-LLVKDONJSA-N -1 0 317.410 3.545 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595873618 982863761 /nfs/dbraw/zinc/86/37/61/982863761.db2.gz UKHRHSLDJWAQMZ-LSDHHAIUSA-N -1 0 304.390 3.529 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C=C2CCC(C)CC2)cc1 ZINC001116297035 982925174 /nfs/dbraw/zinc/92/51/74/982925174.db2.gz GAXSMZQHZVAKMG-LRHAYUFXSA-N -1 0 315.413 3.764 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])n2C)c1 ZINC001595007496 982925619 /nfs/dbraw/zinc/92/56/19/982925619.db2.gz DDLRWCHIOUMOJH-LBPRGKRZSA-N -1 0 302.374 3.513 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001595010086 982938508 /nfs/dbraw/zinc/93/85/08/982938508.db2.gz MZDMQXHADYTIKK-DVOMOZLQSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001595010212 982939322 /nfs/dbraw/zinc/93/93/22/982939322.db2.gz ONGHOKVYPRIJBG-NHYWBVRUSA-N -1 0 317.410 3.817 20 0 DHADRM O=C(CCC1CCCCC1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689050 1014900617 /nfs/dbraw/zinc/90/06/17/1014900617.db2.gz UZZHMDFNEZYEPM-UHFFFAOYSA-N -1 0 315.442 3.926 20 0 DHADRM CCCOc1ccc(Nc2nccnc2C(=O)[O-])cc1C(C)C ZINC001595966124 983171244 /nfs/dbraw/zinc/17/12/44/983171244.db2.gz DIDFXYDFALIFJP-UHFFFAOYSA-N -1 0 315.373 3.831 20 0 DHADRM CCCOc1ccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001595966843 983174609 /nfs/dbraw/zinc/17/46/09/983174609.db2.gz SYGJKAKUWZMMMZ-KRWDZBQOSA-N -1 0 317.360 3.722 20 0 DHADRM CCC[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001596020310 983283435 /nfs/dbraw/zinc/28/34/35/983283435.db2.gz VDKCVYSZKBJOSK-JTQLQIEISA-N -1 0 311.790 3.538 20 0 DHADRM CCCc1cc(C(=O)N(CC)C(C)(C)C(=O)[O-])ccc1Cl ZINC001596052454 983352302 /nfs/dbraw/zinc/35/23/02/983352302.db2.gz AVLDCNSTEDDRFT-UHFFFAOYSA-N -1 0 311.809 3.618 20 0 DHADRM CCCc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC001596052907 983353750 /nfs/dbraw/zinc/35/37/50/983353750.db2.gz KMBDNSPVCQSWET-NSHDSACASA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)ccc1Cl ZINC001596053805 983356075 /nfs/dbraw/zinc/35/60/75/983356075.db2.gz YZNHKFGCYOSUSB-UHFFFAOYSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596060588 983369520 /nfs/dbraw/zinc/36/95/20/983369520.db2.gz MDCBWOIMKGHSAI-QGZVFWFLSA-N -1 0 317.429 3.650 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001596060854 983370613 /nfs/dbraw/zinc/37/06/13/983370613.db2.gz XFWKRGCSGNSTMB-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM CCCc1ccc(C(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001596063143 983374331 /nfs/dbraw/zinc/37/43/31/983374331.db2.gz RQPPXTVNJFYMQS-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM CCCc1ccccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001596070535 983385600 /nfs/dbraw/zinc/38/56/00/983385600.db2.gz JZJOLRCSCDOFIT-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM CCCc1nnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001596094926 983415907 /nfs/dbraw/zinc/41/59/07/983415907.db2.gz AJGWMNCQOOVSCE-NSHDSACASA-N -1 0 312.778 3.594 20 0 DHADRM CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H](C)C(C)C ZINC001596150075 983509123 /nfs/dbraw/zinc/50/91/23/983509123.db2.gz BEEXEYFDVTVSDY-NSHDSACASA-N -1 0 317.389 3.764 20 0 DHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001596150750 983511064 /nfs/dbraw/zinc/51/10/64/983511064.db2.gz MYOHITXFMKPGKN-UHFFFAOYSA-N -1 0 300.358 3.800 20 0 DHADRM CCN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])[C@H](C)C(C)C ZINC001596158066 983520204 /nfs/dbraw/zinc/52/02/04/983520204.db2.gz JQPDONLJRPIDRW-SNVBAGLBSA-N -1 0 312.797 3.937 20 0 DHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccc(C)cc1C ZINC001596175306 983543281 /nfs/dbraw/zinc/54/32/81/983543281.db2.gz ZBRXSPCHOGVYBG-UHFFFAOYSA-N -1 0 301.342 3.570 20 0 DHADRM CCn1c(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc2ccccc21 ZINC000537546355 1032106405 /nfs/dbraw/zinc/10/64/05/1032106405.db2.gz QCMHRRIWCSIJSM-UHFFFAOYSA-N -1 0 322.364 3.822 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262184780 1014967159 /nfs/dbraw/zinc/96/71/59/1014967159.db2.gz MTOSKCLQZRWLLY-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)c1ccc2ccccc2c1 ZINC001596293053 983714005 /nfs/dbraw/zinc/71/40/05/983714005.db2.gz VMBWGZMFHKIALA-KRWDZBQOSA-N -1 0 311.381 3.814 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])cc1F)c1ccccc1OC ZINC001596357347 983827651 /nfs/dbraw/zinc/82/76/51/983827651.db2.gz AFBOVZBQLUJFMF-UHFFFAOYSA-N -1 0 303.333 3.559 20 0 DHADRM C=C/C(C)=C\CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588684287 983857698 /nfs/dbraw/zinc/85/76/98/983857698.db2.gz OKNHRCNSKZXFGL-PIJNTSGSSA-N -1 0 323.392 3.994 20 0 DHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001596371731 983872412 /nfs/dbraw/zinc/87/24/12/983872412.db2.gz JAJZVDMVNULHOR-UHFFFAOYSA-N -1 0 322.361 3.639 20 0 DHADRM CCN(Cc1ccccn1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596373332 983876756 /nfs/dbraw/zinc/87/67/56/983876756.db2.gz GGTKQWHGPNRSBF-OAHLLOKOSA-N -1 0 322.767 3.522 20 0 DHADRM C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000581566791 1015002379 /nfs/dbraw/zinc/00/23/79/1015002379.db2.gz IFPVQBPRYJFNBX-QMMMGPOBSA-N -1 0 313.781 3.607 20 0 DHADRM CCOC(=O)C(C)(C)CCC[C@H](C)Nc1cccc(C(=O)[O-])c1 ZINC001596512578 984286924 /nfs/dbraw/zinc/28/69/24/984286924.db2.gz SLUMFTSHEHQIOV-ZDUSSCGKSA-N -1 0 321.417 3.945 20 0 DHADRM CCOC(=O)[C@H](CC)S[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596528560 984350408 /nfs/dbraw/zinc/35/04/08/984350408.db2.gz WBHYMFSABJLXMO-RYUDHWBXSA-N -1 0 316.806 3.541 20 0 DHADRM CCOC(=O)C[C@H](C)S[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596592048 984526852 /nfs/dbraw/zinc/52/68/52/984526852.db2.gz AHFZCMCHTRKDFW-ZANVPECISA-N -1 0 316.806 3.541 20 0 DHADRM C=Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC001588919374 984571724 /nfs/dbraw/zinc/57/17/24/984571724.db2.gz JITGELNMCCFAJA-UHFFFAOYSA-N -1 0 323.392 3.837 20 0 DHADRM C=Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588919811 984574652 /nfs/dbraw/zinc/57/46/52/984574652.db2.gz PKRMIXPLDVKSGM-INIZCTEOSA-N -1 0 307.349 3.548 20 0 DHADRM C=Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588921681 984579887 /nfs/dbraw/zinc/57/98/87/984579887.db2.gz IWEXVSHWTUIFQQ-WBVHZDCISA-N -1 0 322.364 3.764 20 0 DHADRM C/C(=C\C(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccs1 ZINC001588939564 984629636 /nfs/dbraw/zinc/62/96/36/984629636.db2.gz XWGVTRDHBVEWKU-JLHYYAGUSA-N -1 0 321.442 3.693 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C)cc1C(=O)[O-])c1cccc(F)c1 ZINC001588943999 984643410 /nfs/dbraw/zinc/64/34/10/984643410.db2.gz LOHCBNOEVVZFMY-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001588944176 984645204 /nfs/dbraw/zinc/64/52/04/984645204.db2.gz RGKATPLQDPLKDZ-WQLSENKSSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC001588944301 984646667 /nfs/dbraw/zinc/64/66/67/984646667.db2.gz VRFDDYVSOUVAIJ-FPLPWBNLSA-N -1 0 323.320 3.767 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccco1 ZINC001588944493 984648392 /nfs/dbraw/zinc/64/83/92/984648392.db2.gz YFSLLDMBTQZSRP-VQHVLOKHSA-N -1 0 305.717 3.673 20 0 DHADRM CCc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1C ZINC000389101223 1015054263 /nfs/dbraw/zinc/05/42/63/1015054263.db2.gz IZAYBJWEWVTJTA-UHFFFAOYSA-N -1 0 303.402 3.921 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588956177 984701399 /nfs/dbraw/zinc/70/13/99/984701399.db2.gz ICNQXFKXHHXWBR-QINSGFPZSA-N -1 0 315.413 3.877 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001588956214 984702433 /nfs/dbraw/zinc/70/24/33/984702433.db2.gz IZHMPMYGFDKWEK-KKDZALCLSA-N -1 0 307.434 3.615 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588956439 984704351 /nfs/dbraw/zinc/70/43/51/984704351.db2.gz OXVFBGGJYVYLDL-WIDZWVOGSA-N -1 0 317.429 3.947 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000909517214 1015072267 /nfs/dbraw/zinc/07/22/67/1015072267.db2.gz RSSNPYGBHWBNOS-UHFFFAOYSA-N -1 0 317.410 3.861 20 0 DHADRM C[C@H](NCc1oncc1C(=O)[O-])c1cc(Cl)ccc1Cl ZINC001599901923 984850385 /nfs/dbraw/zinc/85/03/85/984850385.db2.gz WPRDFYYEMOCRNA-ZETCQYMHSA-N -1 0 315.156 3.530 20 0 DHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1cc2ccccc2o1 ZINC001599902494 984865448 /nfs/dbraw/zinc/86/54/48/984865448.db2.gz AYKLYNXAOQFEKI-VIFPVBQESA-N -1 0 315.350 3.684 20 0 DHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC001599902908 984873835 /nfs/dbraw/zinc/87/38/35/984873835.db2.gz SZLGRVVJIOLGFL-ZETCQYMHSA-N -1 0 312.703 3.885 20 0 DHADRM C/C(=C/CSc1nccn1-c1cccc(Cl)c1C)C(=O)[O-] ZINC001588990696 984911584 /nfs/dbraw/zinc/91/15/84/984911584.db2.gz FRRMLPOQGHULMK-POHAHGRESA-N -1 0 322.817 3.957 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588995185 984922054 /nfs/dbraw/zinc/92/20/54/984922054.db2.gz GBPJGOCCJJBIDO-QINSGFPZSA-N -1 0 309.365 3.516 20 0 DHADRM C[C@H](OC(=O)c1coc(C(C)(C)C)n1)c1ccc(C(=O)[O-])cc1 ZINC001599906494 984929427 /nfs/dbraw/zinc/92/94/27/984929427.db2.gz JVHKUAYQRLUYDY-JTQLQIEISA-N -1 0 317.341 3.588 20 0 DHADRM CC(/C=C(/C(=O)[O-])c1ncccn1)=C/c1ccc(Cl)cc1 ZINC001588998117 984933976 /nfs/dbraw/zinc/93/39/76/984933976.db2.gz INJCQQKKQVCPNI-JIYPUEFQSA-N -1 0 300.745 3.702 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001588999438 984937808 /nfs/dbraw/zinc/93/78/08/984937808.db2.gz VFZDARRSUKKAPO-FSBNRTBOSA-N -1 0 314.337 3.994 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Oc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001599907774 984945800 /nfs/dbraw/zinc/94/58/00/984945800.db2.gz FTBFVVIICZKOAX-SGTLLEGYSA-N -1 0 304.386 3.682 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001589003488 984953347 /nfs/dbraw/zinc/95/33/47/984953347.db2.gz BILSPJRWFOGQBX-RUMSDORHSA-N -1 0 321.804 3.599 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001589011035 984985511 /nfs/dbraw/zinc/98/55/11/984985511.db2.gz TUWMTBMVQKYPEG-CLFYSBASSA-N -1 0 306.701 3.640 20 0 DHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(F)c1[O-] ZINC000933343891 1015102278 /nfs/dbraw/zinc/10/22/78/1015102278.db2.gz JEFJPWOZWBETMN-OAHLLOKOSA-N -1 0 302.349 3.540 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c(C)s1 ZINC000129694533 1015102373 /nfs/dbraw/zinc/10/23/73/1015102373.db2.gz NUITWMPRSLGQKH-UHFFFAOYSA-N -1 0 322.411 3.615 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000191557561 1015102811 /nfs/dbraw/zinc/10/28/11/1015102811.db2.gz OSFLYYHNOVQBSB-UHFFFAOYSA-N -1 0 322.320 3.974 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C1CC1 ZINC000656738368 1015105966 /nfs/dbraw/zinc/10/59/66/1015105966.db2.gz JCHSGSCAJSOXPM-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM C[Si](C)(C)c1ccc(CSc2nc(C(=O)[O-])cs2)cc1 ZINC001599940305 985446688 /nfs/dbraw/zinc/44/66/88/985446688.db2.gz ZLIILQUSJQMUFM-UHFFFAOYSA-N -1 0 323.515 3.679 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1)C(=O)[O-] ZINC001594478771 985507844 /nfs/dbraw/zinc/50/78/44/985507844.db2.gz FEXBAWZFHLFSSU-OLZOCXBDSA-N -1 0 318.417 3.602 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001594479214 985513011 /nfs/dbraw/zinc/51/30/11/985513011.db2.gz HYAMSOXNUZJEQR-UGSOOPFHSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001594479211 985513106 /nfs/dbraw/zinc/51/31/06/985513106.db2.gz HYAMSOXNUZJEQR-ACJLOTCBSA-N -1 0 324.380 3.539 20 0 DHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccsc2)ccc1Cl ZINC001589180979 985557508 /nfs/dbraw/zinc/55/75/08/985557508.db2.gz XYQQJQOUDSMNCF-CYBMUJFWSA-N -1 0 324.789 3.598 20 0 DHADRM Cc1[nH]c(C(=O)N(C)C[C@H](C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001599949635 985586530 /nfs/dbraw/zinc/58/65/30/985586530.db2.gz MDWTZCYVZMUUGY-NSHDSACASA-N -1 0 320.433 3.618 20 0 DHADRM CC(=O)c1ccc(NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)nc1 ZINC000656783433 1015148310 /nfs/dbraw/zinc/14/83/10/1015148310.db2.gz PMRBJDOPERDRIJ-MRXNPFEDSA-N -1 0 324.380 3.514 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS[C@@H](C)c1ccc(F)cc1 ZINC001599960382 985769654 /nfs/dbraw/zinc/76/96/54/985769654.db2.gz HGKXLIXBCMTSIG-JTQLQIEISA-N -1 0 321.373 3.838 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS[C@H](C)c1ccccc1F ZINC001599960900 985779157 /nfs/dbraw/zinc/77/91/57/985779157.db2.gz LKYJKUQMHYVNBH-SNVBAGLBSA-N -1 0 321.373 3.838 20 0 DHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000608473831 1015166234 /nfs/dbraw/zinc/16/62/34/1015166234.db2.gz AWWAXFXCQHTXQP-GFCCVEGCSA-N -1 0 319.351 3.648 20 0 DHADRM CCOCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001596907725 985894431 /nfs/dbraw/zinc/89/44/31/985894431.db2.gz XQZQLZIABKTADC-UHFFFAOYSA-N -1 0 313.781 3.574 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)ccc1C ZINC001589258399 985909453 /nfs/dbraw/zinc/90/94/53/985909453.db2.gz YITPYDLRSBIJIZ-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1ccc(OC[C@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001589291021 986034212 /nfs/dbraw/zinc/03/42/12/986034212.db2.gz MAPVWKDPBZIRTM-RISCZKNCSA-N -1 0 310.777 3.812 20 0 DHADRM CCON(CC1CCCCC1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001596964473 986169075 /nfs/dbraw/zinc/16/90/75/986169075.db2.gz VZXXRDPWALNDJZ-UHFFFAOYSA-N -1 0 319.401 3.667 20 0 DHADRM CCOCc1ccc(CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001596966780 986177344 /nfs/dbraw/zinc/17/73/44/986177344.db2.gz XQQYPFUXHJAHGT-UHFFFAOYSA-N -1 0 320.776 3.582 20 0 DHADRM CCOc1c(Cl)cc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC001596993222 986281780 /nfs/dbraw/zinc/28/17/80/986281780.db2.gz ZDSQKVKPCBGPHE-QNSHHTMESA-N -1 0 318.200 3.913 20 0 DHADRM C[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589364277 986383356 /nfs/dbraw/zinc/38/33/56/986383356.db2.gz DJBMZWZQTRUNHF-NEPJUHHUSA-N -1 0 303.402 3.592 20 0 DHADRM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589368737 986402636 /nfs/dbraw/zinc/40/26/36/986402636.db2.gz KQCFKIZCMDHKMR-XEZPLFJOSA-N -1 0 317.429 3.515 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1cscc1C ZINC001597022116 986419084 /nfs/dbraw/zinc/41/90/84/986419084.db2.gz LMWPHVFASYTCIF-UHFFFAOYSA-N -1 0 320.370 3.797 20 0 DHADRM CCOc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC001597061810 986550561 /nfs/dbraw/zinc/55/05/61/986550561.db2.gz JZHOYGLJMFQBIM-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM C[C@H]1CSc2ccccc2N1Cc1ccccc1CC(=O)[O-] ZINC001594612903 986614655 /nfs/dbraw/zinc/61/46/55/986614655.db2.gz XQJHPWFXCODUIX-ZDUSSCGKSA-N -1 0 313.422 3.815 20 0 DHADRM C[C@@H]1Cc2cc(CNc3ccc4c(C(=O)[O-])c[nH]c4c3)ccc2O1 ZINC001594614848 986628763 /nfs/dbraw/zinc/62/87/63/986628763.db2.gz HXLXFZRLAFMTSQ-LLVKDONJSA-N -1 0 322.364 3.802 20 0 DHADRM C[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccsc1 ZINC001589428746 986704013 /nfs/dbraw/zinc/70/40/13/986704013.db2.gz INMPVUQLWGWPRK-SECBINFHSA-N -1 0 314.366 3.670 20 0 DHADRM C[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccsc1 ZINC001589428749 986704169 /nfs/dbraw/zinc/70/41/69/986704169.db2.gz INMPVUQLWGWPRK-VIFPVBQESA-N -1 0 314.366 3.670 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccco1 ZINC001589431911 986736091 /nfs/dbraw/zinc/73/60/91/986736091.db2.gz SBITURYAOHNJSI-NSHDSACASA-N -1 0 309.321 3.873 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589436257 986750801 /nfs/dbraw/zinc/75/08/01/986750801.db2.gz ROGOXENJHBDNQY-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 ZINC001589454455 986878951 /nfs/dbraw/zinc/87/89/51/986878951.db2.gz NYCKOEKCCLXCND-MFNGEMCRSA-N -1 0 317.429 3.637 20 0 DHADRM CCOc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001597143096 986897093 /nfs/dbraw/zinc/89/70/93/986897093.db2.gz SWGSVSFISDIPDP-LBPRGKRZSA-N -1 0 314.337 3.702 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC001589467869 986926460 /nfs/dbraw/zinc/92/64/60/986926460.db2.gz AEVQJYUVGACZFB-BXKDBHETSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1Cc1nc(C(=O)[O-])cs1 ZINC001594665673 986959881 /nfs/dbraw/zinc/95/98/81/986959881.db2.gz INNCFGANNGWOFX-ZJUUUORDSA-N -1 0 320.439 3.731 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(Cl)ccc2o1)C1CCC1 ZINC001589477128 986980877 /nfs/dbraw/zinc/98/08/77/986980877.db2.gz LLRZPTPCISEALD-VIFPVBQESA-N -1 0 321.760 3.554 20 0 DHADRM C/C=C(/CC)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594676933 987009881 /nfs/dbraw/zinc/00/98/81/987009881.db2.gz ULZKKCRAKUPVEN-QNYYUSOESA-N -1 0 309.793 3.502 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594685874 987059200 /nfs/dbraw/zinc/05/92/00/987059200.db2.gz HZOILLMVLGJSTM-DLGQBQFBSA-N -1 0 321.804 3.857 20 0 DHADRM CC/C(=C/C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001594690886 987084774 /nfs/dbraw/zinc/08/47/74/987084774.db2.gz LEWIXQLFNIGLDR-SYCZXOQXSA-N -1 0 317.429 3.794 20 0 DHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581728592 1015275683 /nfs/dbraw/zinc/27/56/83/1015275683.db2.gz OKGDBJDVAIBPQO-SSHXOBKSSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C/C=C(Cl)Cl)cc1 ZINC001589502347 987104429 /nfs/dbraw/zinc/10/44/29/987104429.db2.gz FMEXNDFDFRHVSJ-HDMKULJXSA-N -1 0 314.168 3.688 20 0 DHADRM CC/C(=C\C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001594694225 987106894 /nfs/dbraw/zinc/10/68/94/987106894.db2.gz RGYPGTUZUANYAN-NTEUORMPSA-N -1 0 324.380 3.829 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 ZINC001589505277 987118650 /nfs/dbraw/zinc/11/86/50/987118650.db2.gz SNWJXELFORDZHU-SECBINFHSA-N -1 0 323.801 3.771 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC001589507630 987124112 /nfs/dbraw/zinc/12/41/12/987124112.db2.gz BQPOQFYQDWJMGI-RYUDHWBXSA-N -1 0 304.390 3.670 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCCC2CCC2)cc1 ZINC001589511824 987143480 /nfs/dbraw/zinc/14/34/80/987143480.db2.gz DLPPKCGPZLCTIE-LBPRGKRZSA-N -1 0 304.390 3.577 20 0 DHADRM CCC(=O)Nc1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001594710825 987172170 /nfs/dbraw/zinc/17/21/70/987172170.db2.gz VPNJIFZNZDEIOE-JTQLQIEISA-N -1 0 318.398 3.968 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001589522594 987179635 /nfs/dbraw/zinc/17/96/35/987179635.db2.gz LRCMOGKERYIGIF-DSIZOQBWSA-N -1 0 323.392 3.863 20 0 DHADRM CCC(=O)c1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001594717172 987192104 /nfs/dbraw/zinc/19/21/04/987192104.db2.gz QFGVRIDNLPQSQT-UHFFFAOYSA-N -1 0 311.337 3.538 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCCOc2ccc(F)cc2)c1 ZINC001589531480 987203479 /nfs/dbraw/zinc/20/34/79/987203479.db2.gz FSIKBMOGUDROML-LBPRGKRZSA-N -1 0 303.333 3.505 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(F)ccc2Cl)c1 ZINC001589531833 987207437 /nfs/dbraw/zinc/20/74/37/987207437.db2.gz LITYADJIQUITPL-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC001589532893 987220047 /nfs/dbraw/zinc/22/00/47/987220047.db2.gz VJUOQMOXORNOES-SNVBAGLBSA-N -1 0 303.745 3.780 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC001589533716 987228492 /nfs/dbraw/zinc/22/84/92/987228492.db2.gz RMWSWJJORRKYIW-GFCCVEGCSA-N -1 0 322.364 3.537 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc(Cl)c2)c1 ZINC001589534670 987231960 /nfs/dbraw/zinc/23/19/60/987231960.db2.gz ZWXRRQMZEIXTEH-LLVKDONJSA-N -1 0 317.772 3.709 20 0 DHADRM CC[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729057 987239287 /nfs/dbraw/zinc/23/92/87/987239287.db2.gz DCAJFXSXAAMDRE-MNAZLIDISA-N -1 0 323.477 3.942 20 0 DHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C1CCC(C)CC1 ZINC001594729238 987240842 /nfs/dbraw/zinc/24/08/42/987240842.db2.gz PDCGQRYIFTYPOT-WUCCLRPBSA-N -1 0 311.466 3.845 20 0 DHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)C1CCC(C)CC1 ZINC001594729509 987243018 /nfs/dbraw/zinc/24/30/18/987243018.db2.gz STECFFXPCMALMV-NSOJWWLLSA-N -1 0 323.458 3.843 20 0 DHADRM CC[C@H](C(=O)N1CCCCC[C@H]1C(=O)[O-])C1CCC(C)CC1 ZINC001594729703 987245256 /nfs/dbraw/zinc/24/52/56/987245256.db2.gz LDISOSVKIQAHAD-CKUJCDMFSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC001589540927 987249520 /nfs/dbraw/zinc/24/95/20/987249520.db2.gz UOXKILHWJCDZTI-KRTXAFLBSA-N -1 0 317.168 3.708 20 0 DHADRM CC[C@@H](C(=O)NC1(CC(=O)[O-])CCCC1)C1CCC(C)CC1 ZINC001594734137 987258997 /nfs/dbraw/zinc/25/89/97/987258997.db2.gz NTYNPKMIGPEMGQ-YMAMQOFZSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001594734704 987263252 /nfs/dbraw/zinc/26/32/52/987263252.db2.gz ACEFTOODDZXKKD-HNNXBMFYSA-N -1 0 315.344 3.585 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001594735577 987269200 /nfs/dbraw/zinc/26/92/00/987269200.db2.gz NBGWBPFRFRTWNI-GFCCVEGCSA-N -1 0 318.760 3.566 20 0 DHADRM CCSCc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001597265064 987294153 /nfs/dbraw/zinc/29/41/53/987294153.db2.gz FSMVKWCUKPSOBL-UHFFFAOYSA-N -1 0 315.394 3.890 20 0 DHADRM CCSCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001597265301 987295786 /nfs/dbraw/zinc/29/57/86/987295786.db2.gz NWILXXJYRXCHMH-LSDHHAIUSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001597265416 987296545 /nfs/dbraw/zinc/29/65/45/987296545.db2.gz UNDQNGJACKWXFZ-UHFFFAOYSA-N -1 0 315.394 3.890 20 0 DHADRM CCSCc1ccnc(NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001597266828 987298346 /nfs/dbraw/zinc/29/83/46/987298346.db2.gz BHFMSEIIZMIKLZ-AATRIKPKSA-N -1 0 318.398 3.638 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1cc2ccccc2o1 ZINC001589554143 987298820 /nfs/dbraw/zinc/29/88/20/987298820.db2.gz XSLPXXGFKZBSCX-GFCCVEGCSA-N -1 0 324.332 3.769 20 0 DHADRM CCSCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597267556 987304207 /nfs/dbraw/zinc/30/42/07/987304207.db2.gz MFMSLHOOORNQNJ-UHFFFAOYSA-N -1 0 315.394 3.890 20 0 DHADRM CCSCc1ccnc(NC2CCC(CC(=O)[O-])CC2)c1 ZINC001597267751 987305246 /nfs/dbraw/zinc/30/52/46/987305246.db2.gz OQEVTAAIPSMYDY-UHFFFAOYSA-N -1 0 308.447 3.780 20 0 DHADRM CCSc1cccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC001597272726 987323259 /nfs/dbraw/zinc/32/32/59/987323259.db2.gz KDBOQEPKKYFEMT-UHFFFAOYSA-N -1 0 321.442 3.516 20 0 DHADRM CCSc1cccc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001597277246 987334051 /nfs/dbraw/zinc/33/40/51/987334051.db2.gz KSMOCLVXECVARD-ZDUSSCGKSA-N -1 0 317.414 3.640 20 0 DHADRM CCSc1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001597277250 987334279 /nfs/dbraw/zinc/33/42/79/987334279.db2.gz KUHRDCIILOGOEN-VQHVLOKHSA-N -1 0 317.366 3.742 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597286327 987368131 /nfs/dbraw/zinc/36/81/31/987368131.db2.gz WPJKLXBJNOAQJB-OAHLLOKOSA-N -1 0 316.332 3.797 20 0 DHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000008105487 1015307553 /nfs/dbraw/zinc/30/75/53/1015307553.db2.gz HSIYBRFTKBIAMH-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM CCc1[nH]c(C(=O)N([C@H](C)CC)[C@H](C)CC)c(C)c1C(=O)[O-] ZINC001597354964 987499917 /nfs/dbraw/zinc/49/99/17/987499917.db2.gz UKNMMGTVAVCPDP-GHMZBOCLSA-N -1 0 308.422 3.623 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCC[C@H](O)c2ccccc2)cc1 ZINC001589640760 987562884 /nfs/dbraw/zinc/56/28/84/987562884.db2.gz FGIACHAQQBMQPS-KRWDZBQOSA-N -1 0 313.397 3.584 20 0 DHADRM CCc1[nH]c(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384247 987586765 /nfs/dbraw/zinc/58/67/65/987586765.db2.gz ISJTWARUWNPWBE-MLGOLLRUSA-N -1 0 316.401 3.842 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CC2=CCCCC2)c1 ZINC001589651053 987601094 /nfs/dbraw/zinc/60/10/94/987601094.db2.gz UUHWOCKWMBEWOY-UHFFFAOYSA-N -1 0 302.370 3.845 20 0 DHADRM CCc1[nH]c(CN[C@H](c2ccco2)c2ccccc2)cc1C(=O)[O-] ZINC001597391677 987621608 /nfs/dbraw/zinc/62/16/08/987621608.db2.gz LTXKQTVBXNSCOU-SFHVURJKSA-N -1 0 324.380 3.748 20 0 DHADRM CCc1[nH]c(CNc2cccc3c2OC(C)(C)C3)cc1C(=O)[O-] ZINC001597398388 987651022 /nfs/dbraw/zinc/65/10/22/987651022.db2.gz KHLMRHYDTYHCDH-UHFFFAOYSA-N -1 0 314.385 3.601 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(c2ccccc2C)CC1 ZINC001597449419 987832376 /nfs/dbraw/zinc/83/23/76/987832376.db2.gz CIIADAXCUZWHAU-UHFFFAOYSA-N -1 0 323.392 3.926 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(C2CCC2)CCC1 ZINC001597450355 987840676 /nfs/dbraw/zinc/84/06/76/987840676.db2.gz XBXUIBBWCUQGDP-UHFFFAOYSA-N -1 0 301.386 3.856 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCO[C@H](C)CC(C)C ZINC001597451740 987842658 /nfs/dbraw/zinc/84/26/58/987842658.db2.gz FXWFHTVNYRMMOO-CYBMUJFWSA-N -1 0 321.417 3.727 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@](C)(CC)C1 ZINC001597453850 987857499 /nfs/dbraw/zinc/85/74/99/987857499.db2.gz UDUXWNSIQTWQTM-SFHVURJKSA-N -1 0 318.417 3.991 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC001597464055 987896370 /nfs/dbraw/zinc/89/63/70/987896370.db2.gz MDEQEMBMIZFFAW-UHFFFAOYSA-N -1 0 309.321 3.946 20 0 DHADRM CC(C)(C)C1CC(NC(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001589726829 987914681 /nfs/dbraw/zinc/91/46/81/987914681.db2.gz RALLUQJEAVMJBS-UHFFFAOYSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001589728460 987933204 /nfs/dbraw/zinc/93/32/04/987933204.db2.gz LYHBTJKKSGHISR-KBPBESRZSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589728896 987938691 /nfs/dbraw/zinc/93/86/91/987938691.db2.gz QKYXUTRMRRRFSE-QWHCGFSZSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589729182 987940751 /nfs/dbraw/zinc/94/07/51/987940751.db2.gz VMYIRYNPOPCKNS-AAEUAGOBSA-N -1 0 322.380 3.860 20 0 DHADRM CS[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1C)C(C)(C)C ZINC001599787325 987944794 /nfs/dbraw/zinc/94/47/94/987944794.db2.gz PNFLWPCRYUWXQY-ZDUSSCGKSA-N -1 0 324.446 3.592 20 0 DHADRM CS[C@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C(C)(C)C ZINC001599787280 987944801 /nfs/dbraw/zinc/94/48/01/987944801.db2.gz OJYBRTZMYIPQOC-CYBMUJFWSA-N -1 0 324.446 3.592 20 0 DHADRM CCc1cc2c(nc(C)nc2N[C@@H]2CCC[C@H]2CC(=O)[O-])s1 ZINC001597489369 988009636 /nfs/dbraw/zinc/00/96/36/988009636.db2.gz HCBIIMDEORHOOS-GXFFZTMASA-N -1 0 319.430 3.617 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001589751896 988058167 /nfs/dbraw/zinc/05/81/67/988058167.db2.gz UNGWQCMMUKQEQK-INIZCTEOSA-N -1 0 317.429 3.963 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@@H](CC)CC(F)F)c1 ZINC001597502827 988068258 /nfs/dbraw/zinc/06/82/58/988068258.db2.gz GUDLZKJKEHOJGM-JTQLQIEISA-N -1 0 300.301 3.534 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001597502913 988070020 /nfs/dbraw/zinc/07/00/20/988070020.db2.gz MAJHXHVXELFHPL-UHFFFAOYSA-N -1 0 321.735 3.992 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)CC(C)(C)C(F)(F)F)c1 ZINC001597507390 988082279 /nfs/dbraw/zinc/08/22/79/988082279.db2.gz XNHWWCZDQRAVQX-UHFFFAOYSA-N -1 0 318.291 3.831 20 0 DHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444766 1015362844 /nfs/dbraw/zinc/36/28/44/1015362844.db2.gz IVSSFXKZFXIGNH-TVQRCGJNSA-N -1 0 315.772 3.719 20 0 DHADRM CC(C)(C)CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001589771979 988127766 /nfs/dbraw/zinc/12/77/66/988127766.db2.gz RQBSXECHJARDLJ-OAHLLOKOSA-N -1 0 305.418 3.578 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC001589793636 988186301 /nfs/dbraw/zinc/18/63/01/988186301.db2.gz WXTLXIRTWOZAIV-UHFFFAOYSA-N -1 0 318.398 3.682 20 0 DHADRM CSCCc1ccc(N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599801938 988191518 /nfs/dbraw/zinc/19/15/18/988191518.db2.gz MHCACRJGCYEAKP-CQSZACIVSA-N -1 0 307.440 3.891 20 0 DHADRM CCc1ccc(N(Cc2cccc(C(=O)[O-])n2)CC2CC2)cc1 ZINC001597531892 988191659 /nfs/dbraw/zinc/19/16/59/988191659.db2.gz CAFPIWUVJRJZGL-UHFFFAOYSA-N -1 0 310.397 3.759 20 0 DHADRM CCc1ccc(N(Cc2ccc(C)s2)C(=O)CC(=O)[O-])cc1 ZINC001597534540 988200391 /nfs/dbraw/zinc/20/03/91/988200391.db2.gz ZCYNDAWLAVDHAU-UHFFFAOYSA-N -1 0 317.410 3.627 20 0 DHADRM CSCc1ccc(CNc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC001599802591 988200973 /nfs/dbraw/zinc/20/09/73/988200973.db2.gz NTQKFKCRWIUTTJ-UHFFFAOYSA-N -1 0 302.399 3.563 20 0 DHADRM CCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC001597542743 988233804 /nfs/dbraw/zinc/23/38/04/988233804.db2.gz JJZHBVBPYOMUIB-UHFFFAOYSA-N -1 0 321.804 3.876 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC001597547262 988258253 /nfs/dbraw/zinc/25/82/53/988258253.db2.gz UGNNOEHHHCLDEZ-QWHCGFSZSA-N -1 0 309.793 3.732 20 0 DHADRM CSc1c(F)cccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599806184 988259261 /nfs/dbraw/zinc/25/92/61/988259261.db2.gz PFOAEJJRTRZGAQ-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CSc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c(C)o1 ZINC001599807416 988278307 /nfs/dbraw/zinc/27/83/07/988278307.db2.gz HJKMDFQDRLKKHA-UHFFFAOYSA-N -1 0 316.338 3.725 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])sc2C)o1 ZINC001599808386 988293106 /nfs/dbraw/zinc/29/31/06/988293106.db2.gz FQGVLMPFNUDTBR-UHFFFAOYSA-N -1 0 311.384 3.630 20 0 DHADRM CSc1cc(F)ccc1NCc1ccc(C(=O)[O-])cc1F ZINC001599808864 988300694 /nfs/dbraw/zinc/30/06/94/988300694.db2.gz OHQPUOUGNLDPBB-UHFFFAOYSA-N -1 0 309.337 3.997 20 0 DHADRM CSc1ccc(C)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001599812064 988354150 /nfs/dbraw/zinc/35/41/50/988354150.db2.gz GUEFTKBQDQTXAP-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CSc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001599813330 988376838 /nfs/dbraw/zinc/37/68/38/988376838.db2.gz YISVGIWUUVWNHJ-CQSZACIVSA-N -1 0 307.440 3.728 20 0 DHADRM CSc1ccc(CSCC2(C(=O)[O-])CCOCC2)cc1 ZINC001599814695 988401233 /nfs/dbraw/zinc/40/12/33/988401233.db2.gz 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/nfs/dbraw/zinc/49/51/29/988495129.db2.gz LQUPOQPJNXASNR-UHFFFAOYSA-N -1 0 322.769 3.979 20 0 DHADRM CSc1ccccc1CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001599823853 988562562 /nfs/dbraw/zinc/56/25/62/988562562.db2.gz HYWGUIOHYBSUCI-JTQLQIEISA-N -1 0 320.366 3.547 20 0 DHADRM CCc1ccsc1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001597626692 988579066 /nfs/dbraw/zinc/57/90/66/988579066.db2.gz ZNNBYQFNCONKAO-UHFFFAOYSA-N -1 0 308.330 3.675 20 0 DHADRM CSc1ccccc1OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599825259 988588387 /nfs/dbraw/zinc/58/83/87/988588387.db2.gz ONPPHEMEIBCLMR-UHFFFAOYSA-N -1 0 316.378 3.645 20 0 DHADRM CCc1csc([C@@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC001597639279 988631697 /nfs/dbraw/zinc/63/16/97/988631697.db2.gz HWTHFPMCEJIGSE-RXMQYKEDSA-N -1 0 317.823 3.687 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001599830825 988671196 /nfs/dbraw/zinc/67/11/96/988671196.db2.gz HPSWLLVMQQTMGB-LLVKDONJSA-N -1 0 308.337 3.608 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001599834186 988717610 /nfs/dbraw/zinc/71/76/10/988717610.db2.gz OVMMNDRPKPMQBC-LBPRGKRZSA-N -1 0 317.429 3.629 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599834858 988726762 /nfs/dbraw/zinc/72/67/62/988726762.db2.gz OWDHGQJDZICCDP-AWEZNQCLSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC001599835617 988737977 /nfs/dbraw/zinc/73/79/77/988737977.db2.gz WIHUKCHIFPSJPU-VIFPVBQESA-N -1 0 308.717 3.620 20 0 DHADRM CCc1nc(NC(=O)C[C@H](CC)C(C)(C)C)sc1C(=O)[O-] ZINC001597678387 988797318 /nfs/dbraw/zinc/79/73/18/988797318.db2.gz ONZMRYVLALHTLR-VIFPVBQESA-N -1 0 312.435 3.805 20 0 DHADRM CCc1nc2ccc(NCc3ccc(C(=O)[O-])o3)cc2s1 ZINC001597690757 988873973 /nfs/dbraw/zinc/87/39/73/988873973.db2.gz IAUQNPPGRUYVFZ-UHFFFAOYSA-N -1 0 302.355 3.762 20 0 DHADRM CCc1nnc(SCc2c(Cl)cccc2C(=O)[O-])s1 ZINC001597735787 989079825 /nfs/dbraw/zinc/07/98/25/989079825.db2.gz GWYQXNUUQUXEAG-UHFFFAOYSA-N -1 0 314.819 3.744 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSCc1ccc2c(c1)OCO2 ZINC001597772161 989234962 /nfs/dbraw/zinc/23/49/62/989234962.db2.gz LMGHWBYCXMXCHB-UHFFFAOYSA-N -1 0 320.366 3.702 20 0 DHADRM CCc1sc(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)cc1C ZINC001597818560 989454181 /nfs/dbraw/zinc/45/41/81/989454181.db2.gz VOSSPHCORUAJLC-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCc1sc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1C ZINC001597820101 989459116 /nfs/dbraw/zinc/45/91/16/989459116.db2.gz LKIXQDIFUGVBHP-UHFFFAOYSA-N -1 0 308.355 3.576 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 ZINC000054297332 1015490172 /nfs/dbraw/zinc/49/01/72/1015490172.db2.gz SSCOJFKHUMHNSO-LBPRGKRZSA-N -1 0 302.399 3.501 20 0 DHADRM CCn1c(SCCC(CC)(CC)C(=O)[O-])nnc1C1CC1 ZINC001597864555 989648753 /nfs/dbraw/zinc/64/87/53/989648753.db2.gz KULSMSGRLJFEQX-UHFFFAOYSA-N -1 0 311.451 3.549 20 0 DHADRM CCn1cc(N(Cc2cc(C(=O)[O-])sc2C)CC(C)C)cn1 ZINC001597895743 989758935 /nfs/dbraw/zinc/75/89/35/989758935.db2.gz 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990100853 /nfs/dbraw/zinc/10/08/53/990100853.db2.gz SBUQNSAUYDCRHN-NEPJUHHUSA-N -1 0 319.401 3.519 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001590494574 990102577 /nfs/dbraw/zinc/10/25/77/990102577.db2.gz XKTWILFHSDQMPY-UHFFFAOYSA-N -1 0 316.357 3.597 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598003598 990143753 /nfs/dbraw/zinc/14/37/53/990143753.db2.gz ITRGFNFNQXDKDG-CBBWQLFWSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)(C)c1nc(NC(=O)[C@@]23C[C@@H]2CCCC3)sc1C(=O)[O-] ZINC001590541826 990167212 /nfs/dbraw/zinc/16/72/12/990167212.db2.gz IYCKMSIJTQTTCE-FVMDXXJSSA-N -1 0 322.430 3.658 20 0 DHADRM CN(C(=O)Cc1cccc(C(F)F)c1)c1ccccc1C(=O)[O-] ZINC001598037312 990266081 /nfs/dbraw/zinc/26/60/81/990266081.db2.gz YJOXAAOSPYCLGD-UHFFFAOYSA-N -1 0 319.307 3.528 20 0 DHADRM CC(C)(CC(=O)Nc1sccc1C(=O)[O-])c1ccccc1 ZINC001590625444 990308660 /nfs/dbraw/zinc/30/86/60/990308660.db2.gz KRJGXPXQMYQGIN-UHFFFAOYSA-N -1 0 303.383 3.753 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC001598056663 990318071 /nfs/dbraw/zinc/31/80/71/990318071.db2.gz AMXMPAMTSJPDNF-NSHDSACASA-N -1 0 308.353 3.566 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc2cc[nH]c2c1 ZINC001598057054 990321692 /nfs/dbraw/zinc/32/16/92/990321692.db2.gz LMUYLOQQKUEEFU-UHFFFAOYSA-N -1 0 315.354 3.596 20 0 DHADRM CC(C)(CC(=O)Oc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC001590649237 990337110 /nfs/dbraw/zinc/33/71/10/990337110.db2.gz VBTAAQNPLODVNQ-UHFFFAOYSA-N -1 0 304.264 3.659 20 0 DHADRM CN(C(=O)c1cc2c(ccc3ccccc23)o1)C(C)(C)C(=O)[O-] ZINC001598079314 990393008 /nfs/dbraw/zinc/39/30/08/990393008.db2.gz WWIJHIJBKWMROY-UHFFFAOYSA-N -1 0 311.337 3.521 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598082895 990404096 /nfs/dbraw/zinc/40/40/96/990404096.db2.gz DXSHIKJZOCZJEP-LSDHHAIUSA-N -1 0 303.402 3.672 20 0 DHADRM CC(C)(CCNc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC001590693656 990409746 /nfs/dbraw/zinc/40/97/46/990409746.db2.gz VOMYANHZJRQUPY-UHFFFAOYSA-N -1 0 301.386 3.928 20 0 DHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598083413 990410552 /nfs/dbraw/zinc/41/05/52/990410552.db2.gz XCMSANPJETXOLM-LLVNNSLESA-N -1 0 319.401 3.664 20 0 DHADRM CN(C(=O)c1cccc(C2CCC2)c1)C1(C(=O)[O-])CCCCC1 ZINC001598089769 990432017 /nfs/dbraw/zinc/43/20/17/990432017.db2.gz ZAGZSZBYACQLLP-UHFFFAOYSA-N -1 0 315.413 3.814 20 0 DHADRM CN(C(=O)c1csc(C(=O)[O-])n1)C1CC(C)(C)CC(C)(C)C1 ZINC001598103536 990473130 /nfs/dbraw/zinc/47/31/30/990473130.db2.gz UKUXWNIAEPCISP-UHFFFAOYSA-N -1 0 324.446 3.518 20 0 DHADRM CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])C1CCCCC1 ZINC001590726610 990519574 /nfs/dbraw/zinc/51/95/74/990519574.db2.gz PCOPNZIEHJCFJG-DZGCQCFKSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1(C)C ZINC001590914198 990895857 /nfs/dbraw/zinc/89/58/57/990895857.db2.gz BUZLIGZTKBYPDQ-GJZGRUSLSA-N -1 0 323.477 3.820 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1(C)C ZINC001590915644 990905205 /nfs/dbraw/zinc/90/52/05/990905205.db2.gz ZKRKZWHZWWOYOD-LSDHHAIUSA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)NC2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001590915635 990905308 /nfs/dbraw/zinc/90/53/08/990905308.db2.gz ZJFNZHFTMMLYLH-UONOGXRCSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)=CCC[C@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001590921980 990916021 /nfs/dbraw/zinc/91/60/21/990916021.db2.gz PNNLFCCYSAVSEU-ZDUSSCGKSA-N -1 0 321.392 3.913 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001590922194 990918426 /nfs/dbraw/zinc/91/84/26/990918426.db2.gz TWZPYCFRIDBVFW-CYBMUJFWSA-N -1 0 304.390 3.570 20 0 DHADRM CCc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1C ZINC000581971425 1015600540 /nfs/dbraw/zinc/60/05/40/1015600540.db2.gz VCLIUTVSCDCLBO-UHFFFAOYSA-N -1 0 309.287 3.933 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001590948559 990995887 /nfs/dbraw/zinc/99/58/87/990995887.db2.gz FXZPVXPNXUFMJH-NSHDSACASA-N -1 0 316.357 3.745 20 0 DHADRM CC(C)C(C)(C)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001590961670 991060341 /nfs/dbraw/zinc/06/03/41/991060341.db2.gz VOOXHDOASVCAOF-HNNXBMFYSA-N -1 0 317.429 3.603 20 0 DHADRM CC(C)[C@@H](C)N(C(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC001590970071 991100550 /nfs/dbraw/zinc/10/05/50/991100550.db2.gz MQMRMHDHLBUIBR-CYBMUJFWSA-N -1 0 315.369 3.598 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001590970192 991100724 /nfs/dbraw/zinc/10/07/24/991100724.db2.gz PJOPIKMSIPTURQ-ZETCQYMHSA-N -1 0 304.173 3.922 20 0 DHADRM CC(C)[C@H](CC(=O)N(CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590975386 991117656 /nfs/dbraw/zinc/11/76/56/991117656.db2.gz BEYVXHACGMNSSD-KRWDZBQOSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001591013876 991287532 /nfs/dbraw/zinc/28/75/32/991287532.db2.gz YGBPQCKGBPHWGB-QGZVFWFLSA-N -1 0 320.433 3.718 20 0 DHADRM COc1ccccc1CCCNc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599709076 991339600 /nfs/dbraw/zinc/33/96/00/991339600.db2.gz VLCPNCGCQMCMJE-UHFFFAOYSA-N -1 0 321.323 3.716 20 0 DHADRM CC(C)[C@H](Nc1nccc(C(=O)[O-])n1)c1ccccc1Cl ZINC001591036858 991367319 /nfs/dbraw/zinc/36/73/19/991367319.db2.gz ZEZSKYFYIWBQPD-ZDUSSCGKSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591061372 991500462 /nfs/dbraw/zinc/50/04/62/991500462.db2.gz HZVHXFHKCSUQCF-YOEHRIQHSA-N -1 0 321.442 3.625 20 0 DHADRM O=C([O-])[C@H](CC1CC1)NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000326516744 1015647777 /nfs/dbraw/zinc/64/77/77/1015647777.db2.gz LIADEHKZGNVJHG-KRWDZBQOSA-N -1 0 324.380 3.728 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001591080137 991580025 /nfs/dbraw/zinc/58/00/25/991580025.db2.gz OTCPBDUGPODTSX-HZPDHXFCSA-N -1 0 312.365 3.664 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081682 991593214 /nfs/dbraw/zinc/59/32/14/991593214.db2.gz KHXOATHYTKYLLI-RDJZCZTQSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)C1CCC(CNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001591081870 991594497 /nfs/dbraw/zinc/59/44/97/991594497.db2.gz MEBXQYUEAHMYTR-UHFFFAOYSA-N -1 0 303.402 3.577 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC001591092858 991650113 /nfs/dbraw/zinc/65/01/13/991650113.db2.gz FVEUOZGSXOMXNU-GXFFZTMASA-N -1 0 310.419 3.591 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2ccsc2C(=O)[O-])CC12CCCCC2 ZINC001591098500 991701338 /nfs/dbraw/zinc/70/13/38/991701338.db2.gz BJWKDQFQVJLRAT-CQSZACIVSA-N -1 0 321.442 3.877 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC12CCC2 ZINC001591100470 991725273 /nfs/dbraw/zinc/72/52/73/991725273.db2.gz ZJNLSXKWIISKBU-AWEZNQCLSA-N -1 0 321.804 3.689 20 0 DHADRM COc1nccc2c(NCc3csc(C(=O)[O-])c3)cccc12 ZINC001599736572 991783744 /nfs/dbraw/zinc/78/37/44/991783744.db2.gz BDBWJDORVJDXNR-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM CC(C)C[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591131750 991830090 /nfs/dbraw/zinc/83/00/90/991830090.db2.gz YMTVONJDVFZILE-ZDUSSCGKSA-N -1 0 318.417 3.606 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001591133156 991831965 /nfs/dbraw/zinc/83/19/65/991831965.db2.gz GGLPGUOVUQLAOZ-SNVBAGLBSA-N -1 0 314.328 3.779 20 0 DHADRM CC(C)C[C@H](C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591138101 991852446 /nfs/dbraw/zinc/85/24/46/991852446.db2.gz PRBCSQKVAHYOGM-ZFWWWQNUSA-N -1 0 321.417 3.999 20 0 DHADRM CC(C)C[C@H](CNC(=O)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001591147063 991886613 /nfs/dbraw/zinc/88/66/13/991886613.db2.gz YXCVKCZRPZXSCQ-CYBMUJFWSA-N -1 0 311.466 3.702 20 0 DHADRM CN(C[C@@H]1CC1(C)C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598447724 991891644 /nfs/dbraw/zinc/89/16/44/991891644.db2.gz HFFGMAGZAWVFBV-VIFPVBQESA-N -1 0 310.781 3.548 20 0 DHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591193367 992010448 /nfs/dbraw/zinc/01/04/48/992010448.db2.gz YFTNQUBIHFHPCU-QGZVFWFLSA-N -1 0 307.365 3.565 20 0 DHADRM CN(CCC1CCCCC1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001598472391 992048466 /nfs/dbraw/zinc/04/84/66/992048466.db2.gz MOJWLJPNGFSIBO-UHFFFAOYSA-N -1 0 322.380 3.958 20 0 DHADRM CC(C)CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001591222344 992092728 /nfs/dbraw/zinc/09/27/28/992092728.db2.gz SCCFWWGQUNJMFQ-HNNXBMFYSA-N -1 0 305.418 3.966 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591223134 992095598 /nfs/dbraw/zinc/09/55/98/992095598.db2.gz XMZYQSRTICCDRH-SGMXSJEJSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001591227143 992097811 /nfs/dbraw/zinc/09/78/11/992097811.db2.gz CQLPSLFUFHJEOF-INIZCTEOSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001591229064 992108835 /nfs/dbraw/zinc/10/88/35/992108835.db2.gz MLFDUBCXYJFNPE-HRCADAONSA-N -1 0 311.466 3.797 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591229332 992111311 /nfs/dbraw/zinc/11/13/11/992111311.db2.gz XMPXNQHDZAYBBV-JSGCOSHPSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CCCCCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591237008 992121006 /nfs/dbraw/zinc/12/10/06/992121006.db2.gz RZYWIYOPWPYTHB-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CC(C)CCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001591238825 992127373 /nfs/dbraw/zinc/12/73/73/992127373.db2.gz YKYZMFGMXZHVDN-UHFFFAOYSA-N -1 0 316.760 3.735 20 0 DHADRM CC(C)CN(C(=O)C[C@@H](C)C1CCCCC1)C(C)(C)C(=O)[O-] ZINC001591281570 992216411 /nfs/dbraw/zinc/21/64/11/992216411.db2.gz SUXKIGRHNJDEEB-CQSZACIVSA-N -1 0 311.466 3.941 20 0 DHADRM CC(C)CN(C(=O)c1ccc2ccccc2c1)C(C)(C)C(=O)[O-] ZINC001591284640 992219589 /nfs/dbraw/zinc/21/95/89/992219589.db2.gz CAVPZRYYJWLJHK-UHFFFAOYSA-N -1 0 313.397 3.801 20 0 DHADRM CC(C)CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC001591285159 992222681 /nfs/dbraw/zinc/22/26/81/992222681.db2.gz NAOFYGRAWFOXQT-PKNBQFBNSA-N -1 0 313.353 3.680 20 0 DHADRM CN(Cc1cc(C(=O)[O-])n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC001598507539 992525538 /nfs/dbraw/zinc/52/55/38/992525538.db2.gz VMVVJECFQZZKRE-UHFFFAOYSA-N -1 0 300.402 3.657 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591441902 992539746 /nfs/dbraw/zinc/53/97/46/992539746.db2.gz XOZNVJKUGHFMHM-IXDOHACOSA-N -1 0 323.477 3.989 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC001591476976 992595521 /nfs/dbraw/zinc/59/55/21/992595521.db2.gz CICLFJQTIVGSKN-ZDUSSCGKSA-N -1 0 311.447 3.566 20 0 DHADRM CC(C)Cc1ccc(CNC(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001591483433 992602936 /nfs/dbraw/zinc/60/29/36/992602936.db2.gz GBGKQSPEBXNBBN-UHFFFAOYSA-N -1 0 316.401 3.596 20 0 DHADRM CC(C)Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591484128 992607202 /nfs/dbraw/zinc/60/72/02/992607202.db2.gz RFDOELDTUYXAOQ-HNNXBMFYSA-N -1 0 320.433 3.896 20 0 DHADRM CC(C)Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001591488197 992614906 /nfs/dbraw/zinc/61/49/06/992614906.db2.gz AQEKCWHQMIGFEE-UHFFFAOYSA-N -1 0 315.344 3.975 20 0 DHADRM CC(C)Cc1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001591488266 992615923 /nfs/dbraw/zinc/61/59/23/992615923.db2.gz DZQNHWQXQWOCGP-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001591489443 992620713 /nfs/dbraw/zinc/62/07/13/992620713.db2.gz SKKFLNFBSNKSEB-CQSZACIVSA-N -1 0 319.445 3.606 20 0 DHADRM CC(C)Cn1cc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cn1 ZINC001591523757 992698434 /nfs/dbraw/zinc/69/84/34/992698434.db2.gz QQFSTCJAYCZPOY-CABCVRRESA-N -1 0 307.438 3.765 20 0 DHADRM CN(OCc1ccccc1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598540037 992888441 /nfs/dbraw/zinc/88/84/41/992888441.db2.gz KLUVACZUPZUSLK-OAHLLOKOSA-N -1 0 305.761 3.529 20 0 DHADRM CN(Cc1occc1C(=O)[O-])Cc1c(Cl)cccc1Cl ZINC001598541148 992902952 /nfs/dbraw/zinc/90/29/52/992902952.db2.gz JILVFKPLXCZRQW-UHFFFAOYSA-N -1 0 314.168 3.917 20 0 DHADRM CC[C@@H](C(=O)[N-]OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000759349080 1015746506 /nfs/dbraw/zinc/74/65/06/1015746506.db2.gz HIWMSQQWLJVQRV-SNVBAGLBSA-N -1 0 311.250 3.512 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1cccc(F)c1)C1CCCCC1 ZINC000522621197 1015784901 /nfs/dbraw/zinc/78/49/01/1015784901.db2.gz OEEQQQIWNCMUMB-SFHVURJKSA-N -1 0 321.392 3.503 20 0 DHADRM COc1ccc(NC(=O)[C@@H](C)CCC(C)(C)C)c(C(=O)[O-])c1 ZINC001599589788 993664373 /nfs/dbraw/zinc/66/43/73/993664373.db2.gz FMQUFYRGWBSGEP-NSHDSACASA-N -1 0 307.390 3.794 20 0 DHADRM COc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1SC ZINC001599597039 993761384 /nfs/dbraw/zinc/76/13/84/993761384.db2.gz FIYRRRSARUTBPO-GMXVVIOVSA-N -1 0 309.431 3.718 20 0 DHADRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc2ccccc21 ZINC001593183771 994082778 /nfs/dbraw/zinc/08/27/78/994082778.db2.gz OHRMAMCWWZTABK-GFCCVEGCSA-N -1 0 323.348 3.551 20 0 DHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593184105 994086270 /nfs/dbraw/zinc/08/62/70/994086270.db2.gz YDDYTQLRBFQXEP-JTQLQIEISA-N -1 0 315.394 3.815 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1nc2ccccc2s1 ZINC001593196118 994153363 /nfs/dbraw/zinc/15/33/63/994153363.db2.gz UNKVUMGLFJKSOV-NOZJJQNGSA-N -1 0 318.423 3.834 20 0 DHADRM COc1ccc2cc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)ccc2c1 ZINC001599635110 994275812 /nfs/dbraw/zinc/27/58/12/994275812.db2.gz ZGWDDTCKEYIGFX-IHETXDGRSA-N -1 0 311.381 3.760 20 0 DHADRM COc1ccc2nc(N(C)Cc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC001599635285 994278077 /nfs/dbraw/zinc/27/80/77/994278077.db2.gz SSYQDBFQCRSXNS-UHFFFAOYSA-N -1 0 322.364 3.578 20 0 DHADRM C[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ncc(C(=O)[O-])s1 ZINC001593233424 994392472 /nfs/dbraw/zinc/39/24/72/994392472.db2.gz RPQOXWGUVGOKAL-PRHODGIISA-N -1 0 322.817 3.833 20 0 DHADRM C[C@H](N[C@H]1CCc2c1cccc2Cl)c1ncc(C(=O)[O-])s1 ZINC001593233428 994392570 /nfs/dbraw/zinc/39/25/70/994392570.db2.gz RPQOXWGUVGOKAL-UFBFGSQYSA-N -1 0 322.817 3.833 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CCC(C)(C)C ZINC001599643894 994396788 /nfs/dbraw/zinc/39/67/88/994396788.db2.gz HEVMXJLERAWOBX-NSHDSACASA-N -1 0 308.374 3.761 20 0 DHADRM C[C@H](N[C@H]1CCc2cccc3cccc1c32)c1nc(C(=O)[O-])co1 ZINC001593234105 994397478 /nfs/dbraw/zinc/39/74/78/994397478.db2.gz VLJPASLRXSSTPL-NHYWBVRUSA-N -1 0 322.364 3.864 20 0 DHADRM COc1cccc([C@@H](C(=O)[O-])N2CC(C)(C)c3ccccc32)c1 ZINC001599649341 994472361 /nfs/dbraw/zinc/47/23/61/994472361.db2.gz DOIXARBCWJNBIX-KRWDZBQOSA-N -1 0 311.381 3.619 20 0 DHADRM O=C(c1[n-]cnc1-c1nc(C2CCCCC2)no1)c1ccccc1 ZINC000684610429 1015880114 /nfs/dbraw/zinc/88/01/14/1015880114.db2.gz VXVNTNAUNTVFIG-UHFFFAOYSA-N -1 0 322.368 3.738 20 0 DHADRM C[C@@H](NCc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593292846 994679628 /nfs/dbraw/zinc/67/96/28/994679628.db2.gz PYBUXQIXWDVOJM-SSDOTTSWSA-N -1 0 315.703 3.760 20 0 DHADRM C[C@H](NCc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593292847 994680069 /nfs/dbraw/zinc/68/00/69/994680069.db2.gz PYBUXQIXWDVOJM-ZETCQYMHSA-N -1 0 315.703 3.760 20 0 DHADRM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(C(F)F)o1 ZINC000634790916 1015880830 /nfs/dbraw/zinc/88/08/30/1015880830.db2.gz CUJXPBDGANACTF-UHFFFAOYSA-N -1 0 313.325 3.895 20 0 DHADRM C[C@H](NCc1oncc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001593318881 994841353 /nfs/dbraw/zinc/84/13/53/994841353.db2.gz MECHFPOYHWKGFZ-ZETCQYMHSA-N -1 0 315.156 3.530 20 0 DHADRM COc1cccc(CNc2ccc3c(c2)[nH]cc3C(=O)[O-])c1F ZINC001599675260 994886945 /nfs/dbraw/zinc/88/69/45/994886945.db2.gz BVYIJWXAWVRHIE-UHFFFAOYSA-N -1 0 314.316 3.626 20 0 DHADRM COc1cccc(F)c1[C@@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001599676151 994900264 /nfs/dbraw/zinc/90/02/64/994900264.db2.gz CAWILXKPNAJSAB-SNVBAGLBSA-N -1 0 321.323 3.522 20 0 DHADRM C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1nc(C(=O)[O-])co1 ZINC001593354582 994994330 /nfs/dbraw/zinc/99/43/30/994994330.db2.gz UFMSSDDOAQAVNI-HTQZYQBOSA-N -1 0 312.728 3.577 20 0 DHADRM C[C@@H](Nc1ccc(OCC(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593365929 995047002 /nfs/dbraw/zinc/04/70/02/995047002.db2.gz PBDMTJPRANNRTM-SNVBAGLBSA-N -1 0 322.311 3.597 20 0 DHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC001593367915 995060444 /nfs/dbraw/zinc/06/04/44/995060444.db2.gz SCHMVQAHPDZRSW-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)C1CCC(F)CC1 ZINC001593373953 995070142 /nfs/dbraw/zinc/07/01/42/995070142.db2.gz LPJNNJYMDZHFJR-FKTRJACZSA-N -1 0 300.761 3.762 20 0 DHADRM C[C@@](O)(c1cccc(-c2ccccc2CC(=O)[O-])c1)C(F)(F)F ZINC001593428166 995242723 /nfs/dbraw/zinc/24/27/23/995242723.db2.gz VMPAFNLKVKCKSX-MRXNPFEDSA-N -1 0 324.298 3.751 20 0 DHADRM COC(=O)[C@@H](Sc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001598710787 995346106 /nfs/dbraw/zinc/34/61/06/995346106.db2.gz HJTNQVNWGFYQRT-AWEZNQCLSA-N -1 0 320.341 3.530 20 0 DHADRM COC(=O)[C@H](Sc1ccccc1C)c1cccc(C(=O)[O-])c1 ZINC001598711602 995355469 /nfs/dbraw/zinc/35/54/69/995355469.db2.gz KLRYQHXYPCZGHM-OAHLLOKOSA-N -1 0 316.378 3.700 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1csc(C2CC2)n1 ZINC001593503160 995512671 /nfs/dbraw/zinc/51/26/71/995512671.db2.gz SVVSUIBPGMMJKK-MVWJERBFSA-N -1 0 323.414 3.516 20 0 DHADRM 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CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000613161969 1020836507 /nfs/dbraw/zinc/83/65/07/1020836507.db2.gz YGCWKQDJGHBIMN-LDYMZIIASA-N -1 0 318.200 3.841 20 0 DHADRM CCOC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000613181774 1020842679 /nfs/dbraw/zinc/84/26/79/1020842679.db2.gz BPUXFCSHHAUXRH-UHFFFAOYSA-N -1 0 304.173 3.597 20 0 DHADRM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2O)[C@H]2CCCC[C@@H]12 ZINC000613398831 1020934509 /nfs/dbraw/zinc/93/45/09/1020934509.db2.gz MBEJAKQZCZSORW-INWMFGNUSA-N -1 0 310.397 3.591 20 0 DHADRM Cc1ccc(C)c(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000319559887 1020934962 /nfs/dbraw/zinc/93/49/62/1020934962.db2.gz OZWCOAJCJXORIX-UHFFFAOYSA-N -1 0 304.390 3.555 20 0 DHADRM O=C([N-][C@H](COCc1ccccc1)c1ccccc1)C(F)(F)F ZINC000740846007 1020953154 /nfs/dbraw/zinc/95/31/54/1020953154.db2.gz XNSVQWSRDDCPHU-OAHLLOKOSA-N -1 0 323.314 3.623 20 0 DHADRM O=C(c1ccc(Cl)cc1O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175500286 1021049891 /nfs/dbraw/zinc/04/98/91/1021049891.db2.gz 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IMQCDJMEZKFINS-UHFFFAOYSA-N -1 0 314.838 3.689 20 0 DHADRM CC(C)c1ccc(CCC(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000659235924 1021277430 /nfs/dbraw/zinc/27/74/30/1021277430.db2.gz QRMHFIVQQGCWOB-QFBILLFUSA-N -1 0 317.429 3.502 20 0 DHADRM CCC(CC)(C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1ccccc1 ZINC000659239844 1021282848 /nfs/dbraw/zinc/28/28/48/1021282848.db2.gz WMAGMDOGGNBHCU-MAUKXSAKSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282396 1021284655 /nfs/dbraw/zinc/28/46/55/1021284655.db2.gz KAEXYQQOTXFAAN-TZMCWYRMSA-N -1 0 313.401 3.937 20 0 DHADRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)o2)c(C)c1 ZINC000538013065 1032974695 /nfs/dbraw/zinc/97/46/95/1032974695.db2.gz YPJDIYWOBHIYKU-UHFFFAOYSA-N -1 0 323.414 3.876 20 0 DHADRM O=C(Nc1ccc(C(F)(F)F)cc1)c1s[n-]c(=O)c1Cl ZINC000670454479 1021497962 /nfs/dbraw/zinc/49/79/62/1021497962.db2.gz JJUBILIBKRDIBU-UHFFFAOYSA-N -1 0 322.695 3.773 20 0 DHADRM Cc1cc(Br)ccc1C(=O)Nc1cccc(O)c1F ZINC000129518222 1021503458 /nfs/dbraw/zinc/50/34/58/1021503458.db2.gz UVPKSMHZHTZRGJ-UHFFFAOYSA-N -1 0 324.149 3.855 20 0 DHADRM C[C@H]1CCC(=O)[C@H](Sc2n[n-]c(=Nc3ccccc3)s2)C1 ZINC000450680432 1021508815 /nfs/dbraw/zinc/50/88/15/1021508815.db2.gz KSOLDZDJPRCDET-GXFFZTMASA-N -1 0 319.455 3.553 20 0 DHADRM Cc1cc(Nc2cccc(Br)n2)ccc1C(=O)[O-] ZINC001211648006 1021515921 /nfs/dbraw/zinc/51/59/21/1021515921.db2.gz QCKKYPJADHTSAF-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1nc(SCc2nc(C(C)C)ns2)[nH]c(=O)c1C1CC1 ZINC000918462135 1021524571 /nfs/dbraw/zinc/52/45/71/1021524571.db2.gz AYBMSURXMYENDE-UHFFFAOYSA-N -1 0 322.459 3.635 20 0 DHADRM CCN(CCOc1ccccc1C)[C@H](C(=O)[O-])c1ccsc1 ZINC000659796247 1021537075 /nfs/dbraw/zinc/53/70/75/1021537075.db2.gz HFNTWBXZGIYHRL-INIZCTEOSA-N -1 0 319.426 3.583 20 0 DHADRM Cc1cc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)oc1C(=O)[O-] ZINC000659801542 1021539856 /nfs/dbraw/zinc/53/98/56/1021539856.db2.gz GKLOAPMDRYHWLG-DZGCQCFKSA-N -1 0 315.369 3.501 20 0 DHADRM CCC1(CC)CN(C(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000262801532 1021686320 /nfs/dbraw/zinc/68/63/20/1021686320.db2.gz OGSXZKRTZVGKJB-UHFFFAOYSA-N -1 0 313.353 3.696 20 0 DHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000320056244 1021690771 /nfs/dbraw/zinc/69/07/71/1021690771.db2.gz QNNCZZWEIZAHMQ-HRCADAONSA-N -1 0 315.413 3.557 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCC3(CC3)C2)ccc1Cl ZINC000659129962 1021705594 /nfs/dbraw/zinc/70/55/94/1021705594.db2.gz FTEIVNNLVVAQNP-SNVBAGLBSA-N -1 0 307.777 3.947 20 0 DHADRM CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000314282969 1021742118 /nfs/dbraw/zinc/74/21/18/1021742118.db2.gz QKBWSWCSIBVFNW-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM O=C([O-])CCCCCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000756282967 1021750610 /nfs/dbraw/zinc/75/06/10/1021750610.db2.gz VHDHBTHFWIMXBM-UHFFFAOYSA-N -1 0 324.471 3.996 20 0 DHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211650168 1021759333 /nfs/dbraw/zinc/75/93/33/1021759333.db2.gz 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/nfs/dbraw/zinc/10/78/85/1033107885.db2.gz NUNKVSMBTNSLKL-JKSUJKDBSA-N -1 0 317.429 3.648 20 0 DHADRM O=C([O-])C1(CC(=O)N2CCC[C@H]2c2ccccc2)CCCCC1 ZINC000390642266 1023155253 /nfs/dbraw/zinc/15/52/53/1023155253.db2.gz SOSUYZOFFJAPCL-INIZCTEOSA-N -1 0 315.413 3.775 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909328165 1023167538 /nfs/dbraw/zinc/16/75/38/1023167538.db2.gz YFONHEYNZZMSNX-RUMSDORHSA-N -1 0 321.442 3.787 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1cc(C)sc1C)C(=O)[O-] ZINC000236699040 1023168575 /nfs/dbraw/zinc/16/85/75/1023168575.db2.gz FECYTOJIZISZIW-MRXNPFEDSA-N -1 0 311.447 3.908 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000319541761 1023175249 /nfs/dbraw/zinc/17/52/49/1023175249.db2.gz MKEBLCXIIWDQNW-UHFFFAOYSA-N -1 0 324.808 3.900 20 0 DHADRM CCCCc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000322894332 1023188356 /nfs/dbraw/zinc/18/83/56/1023188356.db2.gz BKGLWEOWMXUZDI-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM CCN(C(=O)c1c([O-])cccc1Cl)c1cccc(OC)c1 ZINC000769683801 1023191267 /nfs/dbraw/zinc/19/12/67/1023191267.db2.gz IBMWIBRJOKIGNT-UHFFFAOYSA-N -1 0 305.761 3.721 20 0 DHADRM Cc1cc(N(C)C)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000769702184 1023197225 /nfs/dbraw/zinc/19/72/25/1023197225.db2.gz TXVYKNMQCSNHCA-UHFFFAOYSA-N -1 0 304.777 3.672 20 0 DHADRM COc1ccc(Cl)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769725894 1023201132 /nfs/dbraw/zinc/20/11/32/1023201132.db2.gz FBVNYAVIKAVVQB-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(C3CCC3)c2)c1 ZINC000909331489 1023203139 /nfs/dbraw/zinc/20/31/39/1023203139.db2.gz JQCCXWWPNQXMLG-UHFFFAOYSA-N -1 0 309.365 3.834 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])C1([C@H]2CCCCO2)CCC1 ZINC000867013613 1023243147 /nfs/dbraw/zinc/24/31/47/1023243147.db2.gz TXTZRPGPBFDBHI-CYBMUJFWSA-N -1 0 309.793 3.724 20 0 DHADRM Cc1cc(Nc2ccc3c(C)cc(=O)[nH]c3c2)ccc1C(=O)[O-] ZINC001211658442 1023258749 /nfs/dbraw/zinc/25/87/49/1023258749.db2.gz OBYGQQDPQGAPQW-UHFFFAOYSA-N -1 0 308.337 3.999 20 0 DHADRM COc1c(F)cc(F)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769994867 1023259658 /nfs/dbraw/zinc/25/96/58/1023259658.db2.gz XVWJGTPNSZSZLO-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM O=C(Nc1c[nH]nc1-c1ccccc1)c1c([O-])cccc1Cl ZINC000770065928 1023268809 /nfs/dbraw/zinc/26/88/09/1023268809.db2.gz DPNUKYLVADXXAL-UHFFFAOYSA-N -1 0 313.744 3.688 20 0 DHADRM CC(C)(C)Oc1ccncc1NC(=O)c1c([O-])cccc1Cl ZINC000770090980 1023273631 /nfs/dbraw/zinc/27/36/31/1023273631.db2.gz ZYOZUGUKPFWISB-UHFFFAOYSA-N -1 0 320.776 3.870 20 0 DHADRM O=C(OCc1ccc2ncccc2c1)c1ccc([O-])c(Cl)c1 ZINC000770308482 1023294151 /nfs/dbraw/zinc/29/41/51/1023294151.db2.gz PGCMKBLQNKFICB-UHFFFAOYSA-N -1 0 313.740 3.951 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659167370 1023331604 /nfs/dbraw/zinc/33/16/04/1023331604.db2.gz NOZLSNFRDMPILU-BDAKNGLRSA-N -1 0 313.806 3.501 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccccc1SC)C(=O)[O-] ZINC000337661598 1033124954 /nfs/dbraw/zinc/12/49/54/1033124954.db2.gz LWIQTEXCVQVICX-LBPRGKRZSA-N -1 0 323.458 3.867 20 0 DHADRM Cc1nc(Cl)ccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771503283 1023444874 /nfs/dbraw/zinc/44/48/74/1023444874.db2.gz GQSHHHDZNNWSNU-UHFFFAOYSA-N -1 0 315.131 3.794 20 0 DHADRM O=C(/C=C/c1ccc(O)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771503814 1023447451 /nfs/dbraw/zinc/44/74/51/1023447451.db2.gz INDHYKJWEZFILY-ZZXKWVIFSA-N -1 0 307.708 3.542 20 0 DHADRM CCCCN(CC)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236726293 1023628219 /nfs/dbraw/zinc/62/82/19/1023628219.db2.gz UOZUKXGGCDARMF-GFCCVEGCSA-N -1 0 309.431 3.514 20 0 DHADRM O=C([O-])C[C@H]1CCCN(c2ccnc3c(F)cc(Cl)cc23)C1 ZINC000662879537 1023636460 /nfs/dbraw/zinc/63/64/60/1023636460.db2.gz NGHZCDWJMXIFPG-SNVBAGLBSA-N -1 0 322.767 3.718 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(Cl)c1Cl ZINC000236745659 1023704752 /nfs/dbraw/zinc/70/47/52/1023704752.db2.gz LDMMFALYGNIDSJ-UHFFFAOYSA-N -1 0 318.200 3.566 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cc2ccccc2s1 ZINC000663053680 1023802978 /nfs/dbraw/zinc/80/29/78/1023802978.db2.gz YUNXQBAPPMYFLK-YGRLFVJLSA-N -1 0 319.426 3.825 20 0 DHADRM COCCCCc1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001211679253 1023831099 /nfs/dbraw/zinc/83/10/99/1023831099.db2.gz IEBOBYZYGOOTKL-UHFFFAOYSA-N -1 0 321.427 3.604 20 0 DHADRM Cc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1Cl ZINC000314067730 1023848467 /nfs/dbraw/zinc/84/84/67/1023848467.db2.gz WBTFDCWLEOYRNH-GFCCVEGCSA-N -1 0 310.781 3.510 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000663119284 1023855919 /nfs/dbraw/zinc/85/59/19/1023855919.db2.gz KPBNYSQMQCYYQQ-QZTJIDSGSA-N -1 0 323.392 3.853 20 0 DHADRM CCCCCC[C@](C)(NC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000788315588 1023873501 /nfs/dbraw/zinc/87/35/01/1023873501.db2.gz WRRIGDPHCDFADO-INIZCTEOSA-N -1 0 310.369 3.761 20 0 DHADRM CCCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-] ZINC000788319074 1023873745 /nfs/dbraw/zinc/87/37/45/1023873745.db2.gz UFKMXVUSWNROQQ-GFCCVEGCSA-N -1 0 312.797 3.803 20 0 DHADRM O=C([O-])CN(Cc1cc(-c2cccs2)on1)C1CCCCC1 ZINC000652482817 1023889801 /nfs/dbraw/zinc/88/98/01/1023889801.db2.gz WNRCQHYWCLGXSG-UHFFFAOYSA-N -1 0 320.414 3.622 20 0 DHADRM O=C(NCC(C1CCC1)C1CCC1)c1cc(F)c([O-])c(F)c1 ZINC001167787093 1023893742 /nfs/dbraw/zinc/89/37/42/1023893742.db2.gz CVWOJQPFUVCTTQ-UHFFFAOYSA-N -1 0 309.356 3.617 20 0 DHADRM CC(C)c1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000663260141 1023980520 /nfs/dbraw/zinc/98/05/20/1023980520.db2.gz ODTPLDFUCXEOML-QGZVFWFLSA-N -1 0 301.361 3.865 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN(CC(=O)[O-])CC(C)(C)C ZINC000662225638 1023996151 /nfs/dbraw/zinc/99/61/51/1023996151.db2.gz LZJMJSPHMKVBGQ-UHFFFAOYSA-N -1 0 322.430 3.644 20 0 DHADRM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc([O-])c(Cl)c1 ZINC000051419418 1024037982 /nfs/dbraw/zinc/03/79/82/1024037982.db2.gz LUJBWCCXUJBPNS-UHFFFAOYSA-N -1 0 319.763 3.994 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC3(CCCCO3)CC2)c(O)c1 ZINC000882432169 1024039015 /nfs/dbraw/zinc/03/90/15/1024039015.db2.gz DCBVLYPUJQIOAL-UHFFFAOYSA-N -1 0 317.429 3.691 20 0 DHADRM CCOc1cccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000255849856 1024039319 /nfs/dbraw/zinc/03/93/19/1024039319.db2.gz YNUJPSSXUHXOOU-HJWRWDBZSA-N -1 0 312.369 3.867 20 0 DHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000025366321 1024079778 /nfs/dbraw/zinc/07/97/78/1024079778.db2.gz IXXWZTOFTFMHBI-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC000882771439 1024129434 /nfs/dbraw/zinc/12/94/34/1024129434.db2.gz CBSISGWHCGKVDL-UHFFFAOYSA-N -1 0 322.455 3.945 20 0 DHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882771310 1024129791 /nfs/dbraw/zinc/12/97/91/1024129791.db2.gz XFXXGSLPMUITLP-CMDGGOBGSA-N -1 0 320.439 3.742 20 0 DHADRM Cc1cc(C)c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000663341677 1024165641 /nfs/dbraw/zinc/16/56/41/1024165641.db2.gz QMKKAXURWNLIAP-GFCCVEGCSA-N -1 0 324.808 3.579 20 0 DHADRM COc1cc(C(=O)[O-])cc(NC/C=C/c2ccccc2)c1OC ZINC000789903165 1024189183 /nfs/dbraw/zinc/18/91/83/1024189183.db2.gz VNUNAABCWRGRAT-RMKNXTFCSA-N -1 0 313.353 3.527 20 0 DHADRM O=C([O-])c1ccc(-c2nc(F)ccc2F)cc1C(F)(F)F ZINC001243155814 1024261370 /nfs/dbraw/zinc/26/13/70/1024261370.db2.gz AHIVIEMUBIREDC-UHFFFAOYSA-N -1 0 303.186 3.744 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000647736511 1024359965 /nfs/dbraw/zinc/35/99/65/1024359965.db2.gz IVFJQRDCCASZGL-MRXNPFEDSA-N -1 0 318.417 3.727 20 0 DHADRM Cc1ccc2c(c1)CCN(C(=O)c1ccc3[n-]c(=S)oc3c1)C2 ZINC000790989483 1024411252 /nfs/dbraw/zinc/41/12/52/1024411252.db2.gz FPLCKSFRWPUYQC-UHFFFAOYSA-N -1 0 324.405 3.623 20 0 DHADRM CC(C)c1nc(CCNC(=O)c2ccc([O-])c(Cl)c2)cs1 ZINC000102482873 1024534128 /nfs/dbraw/zinc/53/41/28/1024534128.db2.gz IQPQNRUAZZLBJH-UHFFFAOYSA-N -1 0 324.833 3.598 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2c(F)cccc2Cl)s[n-]1 ZINC000337887505 1033219028 /nfs/dbraw/zinc/21/90/28/1033219028.db2.gz YYEDTPSDUZUQJT-SFYZADRCSA-N -1 0 315.801 3.633 20 0 DHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CC2CCCCCC2)c2ccccc21 ZINC000653333984 1024556844 /nfs/dbraw/zinc/55/68/44/1024556844.db2.gz WHOJOEGCTSRKMK-IRXDYDNUSA-N -1 0 315.413 3.776 20 0 DHADRM CCC(CC)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC000315851569 1024563751 /nfs/dbraw/zinc/56/37/51/1024563751.db2.gz HBLNIWNGVGTVOL-INIZCTEOSA-N -1 0 305.418 3.781 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cccc2ccccc21 ZINC000322005498 1024569274 /nfs/dbraw/zinc/56/92/74/1024569274.db2.gz ODGSPOGAMPNMPZ-MRXNPFEDSA-N -1 0 312.369 3.701 20 0 DHADRM O=C1N[C@@H](c2cc(Cl)c([O-])cc2Cl)Nc2ccccc21 ZINC000133287971 1024602326 /nfs/dbraw/zinc/60/23/26/1024602326.db2.gz XOEVTRRVZLKVBN-ZDUSSCGKSA-N -1 0 309.152 3.553 20 0 DHADRM Cc1ccc(-c2n[nH]cc2CNc2cccc(C(=O)[O-])c2C)o1 ZINC000319764506 1024619800 /nfs/dbraw/zinc/61/98/00/1024619800.db2.gz WJILWZAIWSNUQH-UHFFFAOYSA-N -1 0 311.341 3.597 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000317874409 1024636269 /nfs/dbraw/zinc/63/62/69/1024636269.db2.gz NDPSJFBQBNJNKI-IUODEOHRSA-N -1 0 304.390 3.527 20 0 DHADRM CCC(CC)(CNc1ccc(C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319170221 1024666048 /nfs/dbraw/zinc/66/60/48/1024666048.db2.gz MWYNMYGNSPUJJF-UHFFFAOYSA-N -1 0 316.304 3.835 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000146917901 1024667051 /nfs/dbraw/zinc/66/70/51/1024667051.db2.gz YONXGTHQVLQUQF-KRWDZBQOSA-N -1 0 321.442 3.521 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1C ZINC000666107664 1024700455 /nfs/dbraw/zinc/70/04/55/1024700455.db2.gz TWKNEFDKEDHVQN-VXGBXAGGSA-N -1 0 307.777 3.562 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2ccc(Cl)c([O-])c2)cc1C ZINC001299362287 1024707351 /nfs/dbraw/zinc/70/73/51/1024707351.db2.gz QANSVQADORTBGI-UHFFFAOYSA-N -1 0 303.789 3.935 20 0 DHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000324555621 1024721765 /nfs/dbraw/zinc/72/17/65/1024721765.db2.gz NRCMDDAVUCBMDT-UHFFFAOYSA-N -1 0 324.380 3.585 20 0 DHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000326115825 1024750004 /nfs/dbraw/zinc/75/00/04/1024750004.db2.gz BXOGSRRMFCEFNQ-LXZKKBNFSA-N -1 0 324.380 3.557 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(COC)cc(C(=O)[O-])c1)C(C)C ZINC000263123736 1024779946 /nfs/dbraw/zinc/77/99/46/1024779946.db2.gz RRBNUESYDOOMFU-ZDUSSCGKSA-N -1 0 307.390 3.542 20 0 DHADRM CC(C)c1nc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cs1 ZINC000236833385 1024802884 /nfs/dbraw/zinc/80/28/84/1024802884.db2.gz QUAKUNJBEKFNAQ-VMPITWQZSA-N -1 0 316.382 3.617 20 0 DHADRM CCC[C@@H](CNC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000263197411 1024828508 /nfs/dbraw/zinc/82/85/08/1024828508.db2.gz NFWNYONTPXVITA-JTQLQIEISA-N -1 0 323.389 3.580 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263206270 1024834647 /nfs/dbraw/zinc/83/46/47/1024834647.db2.gz KRUKPQAMPUEOBR-YCPHGPKFSA-N -1 0 317.429 3.699 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(SC)cc2)s[n-]1 ZINC000337942345 1033240044 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CC(=O)c1cc(F)c([N-]C(=O)c2cc(C(C)C)no2)c(F)c1 ZINC000271941090 1027186015 /nfs/dbraw/zinc/18/60/15/1027186015.db2.gz ADJGTHBUNVARFC-UHFFFAOYSA-N -1 0 308.284 3.531 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1 ZINC000272087421 1027219789 /nfs/dbraw/zinc/21/97/89/1027219789.db2.gz CHFIEBYIJLKOSR-SNVBAGLBSA-N -1 0 308.403 3.606 20 0 DHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]OC/C=C\Cl ZINC000812400683 1027261244 /nfs/dbraw/zinc/26/12/44/1027261244.db2.gz BLMPBYAWXOYQJK-JKEYDSJLSA-N -1 0 311.809 3.768 20 0 DHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OC/C=C\Cl ZINC000812402529 1027262642 /nfs/dbraw/zinc/26/26/42/1027262642.db2.gz FUVQITJYWQYVEG-JSJZCHLLSA-N -1 0 311.809 3.552 20 0 DHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OC/C=C/Cl ZINC000812402527 1027262811 /nfs/dbraw/zinc/26/28/11/1027262811.db2.gz FUVQITJYWQYVEG-DJTWPOEFSA-N -1 0 311.809 3.552 20 0 DHADRM CSc1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000573163130 1027268703 /nfs/dbraw/zinc/26/87/03/1027268703.db2.gz 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CS(=O)(=O)c1cccc(Nc2cc(Cl)ccc2[S-])c1 ZINC001174026949 1034082651 /nfs/dbraw/zinc/08/26/51/1034082651.db2.gz FNAWMGDNKUPWKS-UHFFFAOYSA-N -1 0 313.831 3.776 20 0 DHADRM CCCC[C@H](CCC)NC(=O)CSc1n[n-]c(=S)s1 ZINC000177285175 1034150532 /nfs/dbraw/zinc/15/05/32/1034150532.db2.gz HZYNRKHQYLUZKO-VIFPVBQESA-N -1 0 319.521 3.768 20 0 DHADRM CC1(C)CC[C@@H](CC(=O)Nc2cc(Cl)c([O-])cc2F)OC1 ZINC000879979618 1034171609 /nfs/dbraw/zinc/17/16/09/1034171609.db2.gz CCWHLGXUGOKCFH-VIFPVBQESA-N -1 0 315.772 3.719 20 0 DHADRM CCCCNC(=O)c1cccc(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001174192389 1034210917 /nfs/dbraw/zinc/21/09/17/1034210917.db2.gz OIKBEJGLPZPXHN-UHFFFAOYSA-N -1 0 312.369 3.658 20 0 DHADRM CCSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)c1 ZINC000554605251 1034232836 /nfs/dbraw/zinc/23/28/36/1034232836.db2.gz KDXVJWNESKUAOA-BXUZGUMPSA-N -1 0 324.446 3.561 20 0 DHADRM CCCCN(C(=O)N(C)C1CCCC1)c1ccccc1C(=O)[O-] ZINC000554703573 1034279885 /nfs/dbraw/zinc/27/98/85/1034279885.db2.gz IDHOFRXULJGRND-UHFFFAOYSA-N 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/nfs/dbraw/zinc/29/48/91/1034294891.db2.gz CENXXXVJSCGPQX-UHFFFAOYSA-N -1 0 309.365 3.676 20 0 DHADRM CSCCCCCCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000864119047 1034295267 /nfs/dbraw/zinc/29/52/67/1034295267.db2.gz UHJQQAFPQSYWIO-UHFFFAOYSA-N -1 0 315.479 3.594 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 ZINC000864147093 1034296891 /nfs/dbraw/zinc/29/68/91/1034296891.db2.gz GITFJBMMCXEGBB-CQDKDKBSSA-N -1 0 323.820 3.545 20 0 DHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000864136496 1034297222 /nfs/dbraw/zinc/29/72/22/1034297222.db2.gz ZMBPRWICUGTGLB-SNVBAGLBSA-N -1 0 321.373 3.793 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193433 1034300967 /nfs/dbraw/zinc/30/09/67/1034300967.db2.gz PRXICZAQZZFYTK-CYBMUJFWSA-N -1 0 307.390 3.591 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864200519 1034300996 /nfs/dbraw/zinc/30/09/96/1034300996.db2.gz ZZMGWDHKFPSXJY-BFUOFWGJSA-N -1 0 317.429 3.502 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864188189 1034301866 /nfs/dbraw/zinc/30/18/66/1034301866.db2.gz DEXLDIPMKAEJPO-DOPJRALCSA-N -1 0 323.392 3.692 20 0 DHADRM Cc1ccccc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000554734621 1034301946 /nfs/dbraw/zinc/30/19/46/1034301946.db2.gz QWABFJFOASKBDA-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)cc1 ZINC000554733447 1034303960 /nfs/dbraw/zinc/30/39/60/1034303960.db2.gz IHHKDDKAHMLBDO-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM Cc1c(Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cnn1C ZINC001174393102 1034316207 /nfs/dbraw/zinc/31/62/07/1034316207.db2.gz WLXZLNHSSXYQFU-HNNXBMFYSA-N -1 0 301.390 3.686 20 0 DHADRM O=c1cc(Nc2ccc(C(F)(F)F)cc2F)nc(Cl)[n-]1 ZINC001174400432 1034329812 /nfs/dbraw/zinc/32/98/12/1034329812.db2.gz WZRPIEMWQQSOJW-UHFFFAOYSA-N -1 0 307.634 3.737 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000777367228 1034345333 /nfs/dbraw/zinc/34/53/33/1034345333.db2.gz CETODUHALPQPLN-PBHICJAKSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC000777371786 1034345571 /nfs/dbraw/zinc/34/55/71/1034345571.db2.gz CTTOKJIWVYCQCY-MRXNPFEDSA-N -1 0 324.446 3.564 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000777367231 1034345594 /nfs/dbraw/zinc/34/55/94/1034345594.db2.gz CETODUHALPQPLN-YOEHRIQHSA-N -1 0 317.429 3.804 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc3ncnn3c2)cc1 ZINC001174375593 1034349106 /nfs/dbraw/zinc/34/91/06/1034349106.db2.gz GXCSHWORDAPWDR-INIZCTEOSA-N -1 0 324.384 3.687 20 0 DHADRM CC(C)(C)c1csc(CN[C@@H](CC(=O)[O-])c2ccsc2)n1 ZINC000864504485 1034367966 /nfs/dbraw/zinc/36/79/66/1034367966.db2.gz UUVBDDZXWIGSRF-NSHDSACASA-N -1 0 324.471 3.808 20 0 DHADRM CC(C)(C)OC(=O)N1CC=C(Nc2ccc([S-])cc2)CC1 ZINC001174440960 1034384240 /nfs/dbraw/zinc/38/42/40/1034384240.db2.gz FHTIHLPPVZVNPE-UHFFFAOYSA-N -1 0 306.431 3.912 20 0 DHADRM Cc1cc(=O)n(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cn2)[n-]1 ZINC000864544582 1034385551 /nfs/dbraw/zinc/38/55/51/1034385551.db2.gz VACNTKKEDLWWQE-UHFFFAOYSA-N -1 0 321.380 3.531 20 0 DHADRM CCCC[C@H](NC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000864584693 1034391507 /nfs/dbraw/zinc/39/15/07/1034391507.db2.gz IQGQGTGGWPGWSE-NSHDSACASA-N -1 0 318.295 3.528 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000864585287 1034392511 /nfs/dbraw/zinc/39/25/11/1034392511.db2.gz VYTUNTFZKGRYRV-CQSZACIVSA-N -1 0 318.295 3.528 20 0 DHADRM O=C([O-])[C@@H]1[C@@H]2Cc3ccc(-c4cncc(C(F)F)c4)cc3[C@@H]21 ZINC000864609590 1034395240 /nfs/dbraw/zinc/39/52/40/1034395240.db2.gz ZORFVISKMPWAMW-QLFBSQMISA-N -1 0 301.292 3.657 20 0 DHADRM C/C(=C\c1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)o1)C(=O)[O-] ZINC000864609527 1034395655 /nfs/dbraw/zinc/39/56/55/1034395655.db2.gz XYOYOEXLRBVEDC-YBHKSSGVSA-N -1 0 314.337 3.602 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cc(-c3cccnc3)ccn2)c1 ZINC001174494771 1034411183 /nfs/dbraw/zinc/41/11/83/1034411183.db2.gz GPNNBSPMZXQDDQ-VOTSOKGWSA-N -1 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/nfs/dbraw/zinc/41/33/72/1034413372.db2.gz IZDFDXJACWWLMQ-BQYQJAHWSA-N -1 0 306.321 3.782 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccccc2-n2ccnc2)c1 ZINC001174496565 1034413466 /nfs/dbraw/zinc/41/34/66/1034413466.db2.gz NADKDCNUPBLXHG-CMDGGOBGSA-N -1 0 305.337 3.714 20 0 DHADRM O=C([O-])C=Cc1cccc(Nc2ccc3[nH]c(=O)sc3c2)c1 ZINC001174496753 1034415607 /nfs/dbraw/zinc/41/56/07/1034415607.db2.gz UGMZHVWASDQGQP-QPJJXVBHSA-N -1 0 312.350 3.843 20 0 DHADRM CC1(c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2)COC1 ZINC001174499053 1034418402 /nfs/dbraw/zinc/41/84/02/1034418402.db2.gz LAAIBPBNKJFWEB-BJMVGYQFSA-N -1 0 309.365 3.816 20 0 DHADRM Fc1cccc([C@H]2CC[C@H](N=c3nc(C4CC4)[n-]s3)C2)c1 ZINC000480784772 1034445196 /nfs/dbraw/zinc/44/51/96/1034445196.db2.gz IATNOIPCEOPLMV-JSGCOSHPSA-N -1 0 303.406 3.725 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(CO)c(Cl)c2)c1 ZINC001174500466 1034457905 /nfs/dbraw/zinc/45/79/05/1034457905.db2.gz RYKXBGBUKSTOGF-QPJJXVBHSA-N -1 0 303.745 3.674 20 0 DHADRM CCn1cc(Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001174574964 1034485750 /nfs/dbraw/zinc/48/57/50/1034485750.db2.gz RPJMYQWOYMKFHE-HNNXBMFYSA-N -1 0 301.390 3.861 20 0 DHADRM CCCN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000899238054 1034535731 /nfs/dbraw/zinc/53/57/31/1034535731.db2.gz LRWBRZBKFDGGKJ-MRVPVSSYSA-N -1 0 319.188 3.710 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(Cl)cnc1Cl ZINC001174670316 1034541137 /nfs/dbraw/zinc/54/11/37/1034541137.db2.gz JHQCAZCGCCQOOQ-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cncc(-c2ccccn2)c1 ZINC001174676750 1034542199 /nfs/dbraw/zinc/54/21/99/1034542199.db2.gz GTYTVNZFNRCIKX-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM CCc1ccc(OC)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174675691 1034542836 /nfs/dbraw/zinc/54/28/36/1034542836.db2.gz RHZYQHQAJSUBIY-UHFFFAOYSA-N -1 0 301.342 3.708 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(F)c2cnccc12 ZINC001174675628 1034543280 /nfs/dbraw/zinc/54/32/80/1034543280.db2.gz QAAAYFWQFMHWBI-UHFFFAOYSA-N 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337620964 /nfs/dbraw/zinc/62/09/64/337620964.db2.gz DTIJSEUOZUVWNZ-VZSQWMKGSA-N -1 0 315.413 3.537 20 0 DHADRM CC(C)[C@@H](CC(=O)NC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000262851331 337621954 /nfs/dbraw/zinc/62/19/54/337621954.db2.gz HUZMBVLUQCXQEC-MRXNPFEDSA-N -1 0 317.429 3.720 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000262885526 337622176 /nfs/dbraw/zinc/62/21/76/337622176.db2.gz CNCKBIYIYFSVPH-AATRIKPKSA-N -1 0 317.429 3.830 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000262913908 337622389 /nfs/dbraw/zinc/62/23/89/337622389.db2.gz IXSXHZOKCBPUQV-IMJJTQAJSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262931456 337622455 /nfs/dbraw/zinc/62/24/55/337622455.db2.gz BICQGYFGPUPXQP-LBPRGKRZSA-N -1 0 315.369 3.678 20 0 DHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000263007716 337623040 /nfs/dbraw/zinc/62/30/40/337623040.db2.gz WEBYBTGWXXJCAS-LBPRGKRZSA-N -1 0 323.820 3.595 20 0 DHADRM 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320.732 3.691 20 0 DHADRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1Cl ZINC000736658078 599895896 /nfs/dbraw/zinc/89/58/96/599895896.db2.gz AQKPHXRYSGJUNM-SNVBAGLBSA-N -1 0 318.760 3.921 20 0 DHADRM CC(C)CCc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000736436733 599896352 /nfs/dbraw/zinc/89/63/52/599896352.db2.gz XLFLKVMRAWLWTG-HNNXBMFYSA-N -1 0 306.406 3.506 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000738546503 599897965 /nfs/dbraw/zinc/89/79/65/599897965.db2.gz GQOVYLXLHWCDNC-UHFFFAOYSA-N -1 0 303.383 3.671 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000738547731 599900852 /nfs/dbraw/zinc/90/08/52/599900852.db2.gz WACQPCVEHBMSKN-UHFFFAOYSA-N -1 0 323.392 3.560 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000740027384 599901682 /nfs/dbraw/zinc/90/16/82/599901682.db2.gz RESRQTVGYVNHHQ-UHFFFAOYSA-N -1 0 324.380 3.796 20 0 DHADRM Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c2cccnc12 ZINC000738628293 599901705 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CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736973423 599913358 /nfs/dbraw/zinc/91/33/58/599913358.db2.gz KDCQJLLJKWCDAY-DOMZBBRYSA-N -1 0 304.390 3.865 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccccc1F ZINC000736548694 599913479 /nfs/dbraw/zinc/91/34/79/599913479.db2.gz NXSHNKSSNAJCNU-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000236972725 599914316 /nfs/dbraw/zinc/91/43/16/599914316.db2.gz FISNYVYNLXNYGX-ZDUSSCGKSA-N -1 0 311.381 3.998 20 0 DHADRM Cc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738417326 599914318 /nfs/dbraw/zinc/91/43/18/599914318.db2.gz JGJXDDUBKKRCKK-UHFFFAOYSA-N -1 0 323.270 3.563 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000123484242 599914635 /nfs/dbraw/zinc/91/46/35/599914635.db2.gz GLSHFDJAJXIJLZ-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237810486 599916782 /nfs/dbraw/zinc/91/67/82/599916782.db2.gz DWZGMLWUALRBMU-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000237739037 599917509 /nfs/dbraw/zinc/91/75/09/599917509.db2.gz NNPDBPLHQIAQKM-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736393846 599923265 /nfs/dbraw/zinc/92/32/65/599923265.db2.gz CRKUIXVTVRZAFP-LSDHHAIUSA-N -1 0 304.390 3.721 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000037588358 599936540 /nfs/dbraw/zinc/93/65/40/599936540.db2.gz YAMXYACXJKGVFC-LLVKDONJSA-N -1 0 323.801 3.737 20 0 DHADRM O=C([O-])c1ccc2oc(C(=O)c3ccc(F)cc3F)cc2c1 ZINC000740212871 599942027 /nfs/dbraw/zinc/94/20/27/599942027.db2.gz UPAVKDFRBRHKSL-UHFFFAOYSA-N -1 0 302.232 3.640 20 0 DHADRM Cc1cc(NC(=O)c2csc3c2CCCC3)ccc1C(=O)[O-] ZINC000237843154 599949668 /nfs/dbraw/zinc/94/96/68/599949668.db2.gz BPZFINXMFZXSFG-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000736391034 599952800 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CSc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738214322 600001011 /nfs/dbraw/zinc/00/10/11/600001011.db2.gz XWTJTAOJMQRJRH-UHFFFAOYSA-N -1 0 317.366 3.855 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000739563706 600007291 /nfs/dbraw/zinc/00/72/91/600007291.db2.gz AWEBPONTSFOUGE-UHFFFAOYSA-N -1 0 322.714 3.809 20 0 DHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000322456705 600007469 /nfs/dbraw/zinc/00/74/69/600007469.db2.gz GETRCPGMNNBELT-GXTWGEPZSA-N -1 0 322.380 3.860 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)CC2 ZINC000738670477 600011655 /nfs/dbraw/zinc/01/16/55/600011655.db2.gz JZUDJHIBIUUXOW-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@H]2C2CCCC2)ccc1C(=O)[O-] ZINC000321441802 600012150 /nfs/dbraw/zinc/01/21/50/600012150.db2.gz MVUDNLIQPJUUOY-INIZCTEOSA-N -1 0 316.401 3.880 20 0 DHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000013171159 600015295 /nfs/dbraw/zinc/01/52/95/600015295.db2.gz 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ZINC000738393942 600076146 /nfs/dbraw/zinc/07/61/46/600076146.db2.gz AZMGHHHGHZOVLO-UHFFFAOYSA-N -1 0 315.350 3.989 20 0 DHADRM CC[C@](C)(NC(=O)CCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000736861001 600079600 /nfs/dbraw/zinc/07/96/00/600079600.db2.gz GWSMCWDJRFFPFG-IBGZPJMESA-N -1 0 319.445 3.676 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N[C@@H](C(=O)[O-])c2cccs2)CC(C)(C)C1 ZINC000736754627 600080648 /nfs/dbraw/zinc/08/06/48/600080648.db2.gz CSLIEWQBBGLEPB-LALPHHSUSA-N -1 0 323.458 3.843 20 0 DHADRM Cc1[nH]c(-c2csc(-c3ccccc3O)n2)c(C)c1C(=O)[O-] ZINC000738148740 600084793 /nfs/dbraw/zinc/08/47/93/600084793.db2.gz GVNKJZZDBXKKDT-UHFFFAOYSA-N -1 0 314.366 3.826 20 0 DHADRM O=C([O-])c1ccc(CCC(=O)O[C@@H]2CCCc3ccccc32)cc1 ZINC000739259908 600101039 /nfs/dbraw/zinc/10/10/39/600101039.db2.gz JIEFEZAYDJQSHO-GOSISDBHSA-N -1 0 324.376 3.938 20 0 DHADRM O=C([O-])c1ccc(-c2nc(-c3cccc4ccccc43)no2)nc1 ZINC000740099025 600109971 /nfs/dbraw/zinc/10/99/71/600109971.db2.gz SBDCUMXHTHWYPM-UHFFFAOYSA-N -1 0 317.304 3.650 20 0 DHADRM O=C([O-])[C@H]1C[C@@H]1c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000739561134 600110870 /nfs/dbraw/zinc/11/08/70/600110870.db2.gz XBBQFKCXBMFCKR-GJZGRUSLSA-N -1 0 306.321 3.592 20 0 DHADRM CCc1ccccc1OCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000737274916 600112717 /nfs/dbraw/zinc/11/27/17/600112717.db2.gz OEKFIBKOKUVEKE-UHFFFAOYSA-N -1 0 324.336 3.576 20 0 DHADRM C[C@H]1C[C@@H](CC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC000262415811 600113403 /nfs/dbraw/zinc/11/34/03/600113403.db2.gz KAELIJJVGCGRKO-ZFWWWQNUSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)CC2 ZINC000738671275 600115086 /nfs/dbraw/zinc/11/50/86/600115086.db2.gz VZGNSIAPUKKIOD-QGZVFWFLSA-N -1 0 324.380 3.811 20 0 DHADRM CCC(CC)(C(=O)OCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736893327 600117416 /nfs/dbraw/zinc/11/74/16/600117416.db2.gz IJFBXNRGQQCMCE-UHFFFAOYSA-N -1 0 319.184 3.679 20 0 DHADRM Cc1c(NC(=O)N(Cc2ccco2)C(C)C)cccc1C(=O)[O-] ZINC000738303751 600121238 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ZINC000316452707 600167563 /nfs/dbraw/zinc/16/75/63/600167563.db2.gz SYIUGAPRZKRACW-UHFFFAOYSA-N -1 0 319.357 3.645 20 0 DHADRM Cc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000390964950 600167916 /nfs/dbraw/zinc/16/79/16/600167916.db2.gz VGJZVCMMHXGJTG-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM CCc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000737269448 600173647 /nfs/dbraw/zinc/17/36/47/600173647.db2.gz FRHGZZIAIVBZSK-UHFFFAOYSA-N -1 0 300.383 3.756 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000738487638 600174896 /nfs/dbraw/zinc/17/48/96/600174896.db2.gz DCQDFHGCLDGOSV-GFCCVEGCSA-N -1 0 316.328 3.739 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736925516 600185036 /nfs/dbraw/zinc/18/50/36/600185036.db2.gz AAKSLJIYRAYHGY-CQSZACIVSA-N -1 0 319.744 3.741 20 0 DHADRM CC(C)c1ccc(CSCc2noc(CCC(=O)[O-])n2)cc1 ZINC000736513755 600187338 /nfs/dbraw/zinc/18/73/38/600187338.db2.gz HCCRDXQFAHDTDI-UHFFFAOYSA-N -1 0 320.414 3.644 20 0 DHADRM 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C[C@@H](CSCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000086109538 600602571 /nfs/dbraw/zinc/60/25/71/600602571.db2.gz VAXVBRJUJQUKQH-VIFPVBQESA-N -1 0 311.790 3.949 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000739223895 600609385 /nfs/dbraw/zinc/60/93/85/600609385.db2.gz WUTQAPWFIXQLMJ-GFCCVEGCSA-N -1 0 313.328 3.583 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000737336737 600617611 /nfs/dbraw/zinc/61/76/11/600617611.db2.gz RBTCXEAALATDTO-UHFFFAOYSA-N -1 0 310.309 3.799 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000736359222 600618510 /nfs/dbraw/zinc/61/85/10/600618510.db2.gz WSSQCPGRWLLTEI-OAHLLOKOSA-N -1 0 316.353 3.536 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736628126 600621211 /nfs/dbraw/zinc/62/12/11/600621211.db2.gz VTYWRKIEMXFJEP-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000178253897 600621758 /nfs/dbraw/zinc/62/17/58/600621758.db2.gz 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CCc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000737260343 600825353 /nfs/dbraw/zinc/82/53/53/600825353.db2.gz IWYGJADYOBCHED-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM COc1ccc(-c2cnc(CNc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000832124672 600825826 /nfs/dbraw/zinc/82/58/26/600825826.db2.gz XBTPWCGPLDEGHC-UHFFFAOYSA-N -1 0 324.336 3.661 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000262215500 600829377 /nfs/dbraw/zinc/82/93/77/600829377.db2.gz SNNVFQQDMYGQIK-OLZOCXBDSA-N -1 0 305.349 3.679 20 0 DHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cccc1C(=O)[O-] ZINC000675966609 600830552 /nfs/dbraw/zinc/83/05/52/600830552.db2.gz SEQDXBWPTOFOJT-LSDHHAIUSA-N -1 0 301.386 3.848 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(F)cc1F ZINC000740080041 600831186 /nfs/dbraw/zinc/83/11/86/600831186.db2.gz AEOSQBVWOAAEIE-GHMZBOCLSA-N -1 0 323.339 3.818 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCCCCCC1 ZINC000316155116 600832499 /nfs/dbraw/zinc/83/24/99/600832499.db2.gz 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600843393 /nfs/dbraw/zinc/84/33/93/600843393.db2.gz WYXRZBIAKQFJGN-GXTWGEPZSA-N -1 0 304.390 3.561 20 0 DHADRM Cc1sc(NC(=O)CS[C@H](C)C(C)C)c(C(=O)[O-])c1C ZINC000833035963 600844960 /nfs/dbraw/zinc/84/49/60/600844960.db2.gz FTVUGPMYFMARKM-SECBINFHSA-N -1 0 315.460 3.779 20 0 DHADRM CCCC[C@H](Sc1nnc(CCc2ccccc2)o1)C(=O)[O-] ZINC000829295427 600845873 /nfs/dbraw/zinc/84/58/73/600845873.db2.gz DSMVVHXPZWMDJN-ZDUSSCGKSA-N -1 0 320.414 3.590 20 0 DHADRM Cc1ccc(C)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000321414313 600853669 /nfs/dbraw/zinc/85/36/69/600853669.db2.gz JYNJRIOJEHGXGL-CQSZACIVSA-N -1 0 309.365 3.522 20 0 DHADRM Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1 ZINC000321777919 600856191 /nfs/dbraw/zinc/85/61/91/600856191.db2.gz QVYDNXKDFOQHJY-CQSZACIVSA-N -1 0 309.365 3.522 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)CCC2CCCC2)c2ccccc21 ZINC000316620519 600856487 /nfs/dbraw/zinc/85/64/87/600856487.db2.gz XMMVBMFXMNNHIY-CQSZACIVSA-N -1 0 301.386 3.562 20 0 DHADRM 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CCCCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000316297590 601125568 /nfs/dbraw/zinc/12/55/68/601125568.db2.gz LHQQRRSHMMFUSU-LSDHHAIUSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])c1sccc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000833119636 601127122 /nfs/dbraw/zinc/12/71/22/601127122.db2.gz ADBCDZPABSEEFX-UHFFFAOYSA-N -1 0 319.313 3.513 20 0 DHADRM CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C1CCCC1 ZINC000829602452 601127770 /nfs/dbraw/zinc/12/77/70/601127770.db2.gz NVCKBTKESQNMFE-UHFFFAOYSA-N -1 0 309.341 3.712 20 0 DHADRM CCN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000390886822 601131928 /nfs/dbraw/zinc/13/19/28/601131928.db2.gz WWJIBWPTWABWIA-UHFFFAOYSA-N -1 0 318.417 3.845 20 0 DHADRM Cc1ccc(NC(=O)N2CCc3c(C)cccc3C2)cc1C(=O)[O-] ZINC000832945166 601143288 /nfs/dbraw/zinc/14/32/88/601143288.db2.gz DLDQVKGENMXCQZ-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM Cc1nc(-c2ccccc2)oc1C(=O)Oc1ccccc1C(=O)[O-] ZINC000832992407 601145830 /nfs/dbraw/zinc/14/58/30/601145830.db2.gz IVOJVFWAILDYCH-UHFFFAOYSA-N 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CN(C(=O)[O-])c1ccc(NC(=O)c2cccc3[nH]ccc32)cc1 ZINC000830513932 601197994 /nfs/dbraw/zinc/19/79/94/601197994.db2.gz KIPZIEZRHAXSTH-UHFFFAOYSA-N -1 0 309.325 3.534 20 0 DHADRM CO[C@@H](C)c1nc(CNc2cccc(NC(=O)[O-])c2)cs1 ZINC000831501332 601223268 /nfs/dbraw/zinc/22/32/68/601223268.db2.gz QCOWIGOVIODRTB-VIFPVBQESA-N -1 0 307.375 3.553 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCC(C)(C)C)c1ccccc1 ZINC000237603834 601244159 /nfs/dbraw/zinc/24/41/59/601244159.db2.gz OFVALPOTJYPSBX-BBRMVZONSA-N -1 0 305.418 3.781 20 0 DHADRM CN(c1nc(Cl)c(C(=O)[O-])s1)[C@H]1CCc2ccccc21 ZINC000830894117 601247576 /nfs/dbraw/zinc/24/75/76/601247576.db2.gz GQLJCUVHWVPJGW-JTQLQIEISA-N -1 0 308.790 3.618 20 0 DHADRM CN(c1nc(Cl)c(C(=O)[O-])s1)[C@@H]1CCc2ccccc21 ZINC000830894118 601247725 /nfs/dbraw/zinc/24/77/25/601247725.db2.gz GQLJCUVHWVPJGW-SNVBAGLBSA-N -1 0 308.790 3.618 20 0 DHADRM Cc1cccc(OCCNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000832974684 601249769 /nfs/dbraw/zinc/24/97/69/601249769.db2.gz 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ZINC000832310866 601381283 /nfs/dbraw/zinc/38/12/83/601381283.db2.gz JOWMCXPSCCVJNO-MRXNPFEDSA-N -1 0 319.788 3.606 20 0 DHADRM Cc1ccc(-c2nc(/C=C/c3ccc(C(=O)[O-])cn3)co2)cc1 ZINC000832907035 601393661 /nfs/dbraw/zinc/39/36/61/601393661.db2.gz FIKZXAZYKJPABI-CMDGGOBGSA-N -1 0 306.321 3.914 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC1CCCCCC1 ZINC000237271476 601394483 /nfs/dbraw/zinc/39/44/83/601394483.db2.gz PSUNCEVOMMABOU-UHFFFAOYSA-N -1 0 303.402 3.704 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000825798237 601441824 /nfs/dbraw/zinc/44/18/24/601441824.db2.gz DPHXXFXCHWQDSC-YFHOEESVSA-N -1 0 318.300 3.572 20 0 DHADRM CN(C(=O)C/C=C/c1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000830471693 601445877 /nfs/dbraw/zinc/44/58/77/601445877.db2.gz IMCRIZNTUXQJRD-FNORWQNLSA-N -1 0 313.328 3.590 20 0 DHADRM C[C@H](OC(=O)C1(c2ccccc2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827819172 601459048 /nfs/dbraw/zinc/45/90/48/601459048.db2.gz YAHJOTDMWWCGDJ-LBPRGKRZSA-N -1 0 314.337 3.704 20 0 DHADRM O=C([O-])c1ccc(CN(CC2CCC2)CC(F)(F)F)cc1 ZINC000263572410 601461077 /nfs/dbraw/zinc/46/10/77/601461077.db2.gz KYCVKSBOMFGDIS-UHFFFAOYSA-N -1 0 301.308 3.549 20 0 DHADRM Cc1cccc(C2(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832965280 601463726 /nfs/dbraw/zinc/46/37/26/601463726.db2.gz HSWNUFRHSIDVBA-LBPRGKRZSA-N -1 0 314.337 3.622 20 0 DHADRM Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000832982426 601465283 /nfs/dbraw/zinc/46/52/83/601465283.db2.gz RYNAHDOQPLXMMV-LBPRGKRZSA-N -1 0 314.337 3.622 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1cccc(Cl)c1C ZINC000828652195 601472440 /nfs/dbraw/zinc/47/24/40/601472440.db2.gz GJDKJVHHVLDHQH-AWEZNQCLSA-N -1 0 314.838 3.578 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000825798583 601472744 /nfs/dbraw/zinc/47/27/44/601472744.db2.gz PGIHDFWUPXELDS-DWOQACPDSA-N -1 0 318.300 3.825 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000316989464 601476469 /nfs/dbraw/zinc/47/64/69/601476469.db2.gz 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601504585 /nfs/dbraw/zinc/50/45/85/601504585.db2.gz HQTPKWSSLRPONG-YSAQHLAJSA-N -1 0 321.804 3.718 20 0 DHADRM Cc1oc(COC(=O)C/C=C/c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832927942 601505159 /nfs/dbraw/zinc/50/51/59/601505159.db2.gz DKXTWQANNSVSHL-ONEGZZNKSA-N -1 0 314.337 3.741 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000767074276 601533963 /nfs/dbraw/zinc/53/39/63/601533963.db2.gz OYPRGZQJIZTSKE-CXAGYDPISA-N -1 0 317.429 3.673 20 0 DHADRM O=C([O-])c1ccoc1CN(Cc1cccs1)CC(F)(F)F ZINC000833333000 601549001 /nfs/dbraw/zinc/54/90/01/601549001.db2.gz BDBCAQYGIQDUOM-UHFFFAOYSA-N -1 0 319.304 3.604 20 0 DHADRM CC(C)C(=O)Nc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000826657912 601557455 /nfs/dbraw/zinc/55/74/55/601557455.db2.gz AEQCZFUONQTRMJ-UHFFFAOYSA-N -1 0 313.353 3.558 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)/C=C\SCc2ccco2)c1 ZINC000833288381 601559170 /nfs/dbraw/zinc/55/91/70/601559170.db2.gz LFTZIORIVDFODU-VURMDHGXSA-N -1 0 318.354 3.755 20 0 DHADRM CC1CC(C(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828156029 601568019 /nfs/dbraw/zinc/56/80/19/601568019.db2.gz AJRWVOGSQIDTBL-UHFFFAOYSA-N -1 0 304.367 3.689 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C/C=C\c1ccc(C)cc1 ZINC000832929859 601568461 /nfs/dbraw/zinc/56/84/61/601568461.db2.gz SBWWRDMKNBWQEQ-ARJAWSKDSA-N -1 0 314.337 3.741 20 0 DHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000776650547 601584613 /nfs/dbraw/zinc/58/46/13/601584613.db2.gz KSYXVZDRVBUPKG-ZDUSSCGKSA-N -1 0 323.801 3.520 20 0 DHADRM O=C([O-])c1ccc(/C=C(/Cl)c2nc3cc(F)ccc3o2)o1 ZINC000833312701 601613396 /nfs/dbraw/zinc/61/33/96/601613396.db2.gz UCKNKAPHXCTCLG-RMKNXTFCSA-N -1 0 307.664 3.995 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2ccccc2s1 ZINC000238095828 601615523 /nfs/dbraw/zinc/61/55/23/601615523.db2.gz GOPNZTOAAIJQJX-UHFFFAOYSA-N -1 0 311.362 3.781 20 0 DHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000315896359 601618011 /nfs/dbraw/zinc/61/80/11/601618011.db2.gz MSEBYMBGWGOIBF-YGRLFVJLSA-N -1 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GKNNNUVPRXHCMY-INIZCTEOSA-N -1 0 304.317 3.546 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000236668674 601643529 /nfs/dbraw/zinc/64/35/29/601643529.db2.gz OFVKVRKMPZFCFK-LBPRGKRZSA-N -1 0 318.200 3.757 20 0 DHADRM O=C(C=C1CCC1)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833092334 601645024 /nfs/dbraw/zinc/64/50/24/601645024.db2.gz CTHODXQBVPELGG-UHFFFAOYSA-N -1 0 314.366 3.557 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000191085896 601646164 /nfs/dbraw/zinc/64/61/64/601646164.db2.gz OTPBANVYRNZZST-VHSXEESVSA-N -1 0 317.838 3.655 20 0 DHADRM O=C([O-])CCCCCNC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000769497348 601658861 /nfs/dbraw/zinc/65/88/61/601658861.db2.gz ZVIWBTSWLZBSAS-UHFFFAOYSA-N -1 0 323.392 3.633 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000830508770 601671216 /nfs/dbraw/zinc/67/12/16/601671216.db2.gz YQFLIHMNEGQEGL-RHSMWYFYSA-N -1 0 324.380 3.618 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000752814312 601679279 /nfs/dbraw/zinc/67/92/79/601679279.db2.gz ALMVDWIGKJTPQJ-CQSZACIVSA-N -1 0 311.381 3.932 20 0 DHADRM CC(C)CC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1 ZINC000317192040 601689237 /nfs/dbraw/zinc/68/92/37/601689237.db2.gz YXAWMYFTMUKZOH-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828603143 601703119 /nfs/dbraw/zinc/70/31/19/601703119.db2.gz CXKAWMOAKLETNV-CQSZACIVSA-N -1 0 316.328 3.761 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C/c1ccsc1 ZINC000833032275 601711187 /nfs/dbraw/zinc/71/11/87/601711187.db2.gz XKXVWRHPIYTOKD-NSCUHMNNSA-N -1 0 308.380 3.573 20 0 DHADRM CCCC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC000829284664 601718260 /nfs/dbraw/zinc/71/82/60/601718260.db2.gz DNLKLHCUHJGGHJ-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM Cc1cccc([C@H](C)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832966246 601731060 /nfs/dbraw/zinc/73/10/60/601731060.db2.gz KPONWLJSAPQJJB-LBPRGKRZSA-N -1 0 316.328 3.679 20 0 DHADRM 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318.417 3.746 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736576129 601989462 /nfs/dbraw/zinc/98/94/62/601989462.db2.gz UZBMPOJLFQNWRP-ZDUSSCGKSA-N -1 0 312.369 3.652 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc(Cl)s2)cn1 ZINC000740708762 601994658 /nfs/dbraw/zinc/99/46/58/601994658.db2.gz WDKTXVLIMIYLMF-ZZXKWVIFSA-N -1 0 323.761 3.538 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000739286378 601997503 /nfs/dbraw/zinc/99/75/03/601997503.db2.gz ZSKFWTPWARZEMG-AWEZNQCLSA-N -1 0 313.357 3.694 20 0 DHADRM O=C([O-])c1ccc(COC(=O)CCc2ccc(Cl)cc2)s1 ZINC000833103025 602001609 /nfs/dbraw/zinc/00/16/09/602001609.db2.gz ZIFFQYLZDDIKSG-UHFFFAOYSA-N -1 0 324.785 3.776 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000827042787 602035570 /nfs/dbraw/zinc/03/55/70/602035570.db2.gz XIRWKGWAAKJCQD-VXGBXAGGSA-N -1 0 320.389 3.577 20 0 DHADRM C[C@@H]1CCC[C@H](N(C)C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000402946824 602092742 /nfs/dbraw/zinc/09/27/42/602092742.db2.gz CFBHDXBATMAMTH-CABCVRRESA-N -1 0 312.454 3.632 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000403100825 602094220 /nfs/dbraw/zinc/09/42/20/602094220.db2.gz OVFVRXUTUAQTHG-MRXNPFEDSA-N -1 0 324.465 3.776 20 0 DHADRM C[C@@H]1Cc2ccccc2N1C(=O)NCCCCCCCC(=O)[O-] ZINC000403208633 602094825 /nfs/dbraw/zinc/09/48/25/602094825.db2.gz PHNHZAWFFIKQBI-CQSZACIVSA-N -1 0 318.417 3.572 20 0 DHADRM CC[C@@H]1CCCCCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000403034670 602095985 /nfs/dbraw/zinc/09/59/85/602095985.db2.gz BGERAKXAPZCJMT-OAHLLOKOSA-N -1 0 312.454 3.776 20 0 DHADRM C[C@@H]1c2ccccc2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828528667 602096657 /nfs/dbraw/zinc/09/66/57/602096657.db2.gz YCRFLDQTSALGBA-CQSZACIVSA-N -1 0 318.417 3.698 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nccn1C(C)C ZINC000827048573 602100776 /nfs/dbraw/zinc/10/07/76/602100776.db2.gz QZOKMCLKNRDGQZ-UHFFFAOYSA-N -1 0 317.389 3.562 20 0 DHADRM CCC(=O)c1ccc(C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC000828573982 602120289 /nfs/dbraw/zinc/12/02/89/602120289.db2.gz GSVRRGSRHGFXBT-UHFFFAOYSA-N -1 0 312.321 3.505 20 0 DHADRM Cc1ccccc1-c1nc(CNc2ccc(C(=O)[O-])c(C)c2)no1 ZINC000832898444 602128830 /nfs/dbraw/zinc/12/88/30/602128830.db2.gz KBERWAWVCOYPLS-UHFFFAOYSA-N -1 0 323.352 3.664 20 0 DHADRM O=C([O-])[C@H](NC(=O)c1ccc2sccc2c1)c1cccs1 ZINC000386139758 602130845 /nfs/dbraw/zinc/13/08/45/602130845.db2.gz GTLFJSJMIBQDMU-CYBMUJFWSA-N -1 0 317.391 3.519 20 0 DHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827072923 602148571 /nfs/dbraw/zinc/14/85/71/602148571.db2.gz LWQJKZCDYZOXGJ-VIFPVBQESA-N -1 0 315.822 3.890 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])C(C)C ZINC000832853845 602158907 /nfs/dbraw/zinc/15/89/07/602158907.db2.gz VWXIENKMQBGANC-ZBEGNZNMSA-N -1 0 317.385 3.665 20 0 DHADRM CCS[C@@H](C)c1noc(COc2ccccc2NC(=O)[O-])n1 ZINC000830148935 602158980 /nfs/dbraw/zinc/15/89/80/602158980.db2.gz BEMKMJSRCAUJJC-VIFPVBQESA-N -1 0 323.374 3.553 20 0 DHADRM 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ZINC000740348466 602509682 /nfs/dbraw/zinc/50/96/82/602509682.db2.gz LVZZDWSWITTXQW-UHFFFAOYSA-N -1 0 300.358 3.556 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N(C)[C@H](C)C(C)C)C(=O)[O-] ZINC000739441701 602566464 /nfs/dbraw/zinc/56/64/64/602566464.db2.gz AIGMGVSTPNXCOK-CYBMUJFWSA-N -1 0 321.421 3.695 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)NCCN(C)C(=O)[O-] ZINC000738876151 602579896 /nfs/dbraw/zinc/57/98/96/602579896.db2.gz LLKMCOWYFUFQKO-UHFFFAOYSA-N -1 0 321.421 3.665 20 0 DHADRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738754809 602599980 /nfs/dbraw/zinc/59/99/80/602599980.db2.gz UYNKJZPNPIMPDR-UHFFFAOYSA-N -1 0 313.357 3.833 20 0 DHADRM CC(C)CN(CC(C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738823206 602600716 /nfs/dbraw/zinc/60/07/16/602600716.db2.gz ZNAGRWNHQPJZFR-UHFFFAOYSA-N -1 0 307.394 3.922 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000739144828 602601296 /nfs/dbraw/zinc/60/12/96/602601296.db2.gz HHDLDLWLNZDPHE-LLVKDONJSA-N -1 0 311.341 3.932 20 0 DHADRM CC1CCC(N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000739084141 602602740 /nfs/dbraw/zinc/60/27/40/602602740.db2.gz HRZFLJYTYSEHOX-UHFFFAOYSA-N -1 0 305.378 3.819 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000740710596 602604929 /nfs/dbraw/zinc/60/49/29/602604929.db2.gz UIXFFVVPQWHYBN-OAHLLOKOSA-N -1 0 317.389 3.963 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)c2cccc(C(F)F)c2)c1 ZINC000740679412 602651079 /nfs/dbraw/zinc/65/10/79/602651079.db2.gz CSVZAZPLLJKIBQ-UHFFFAOYSA-N -1 0 320.295 3.644 20 0 DHADRM COc1cc([C@H](C)NC(=O)[O-])ccc1OCc1ccccc1 ZINC000739850159 602667875 /nfs/dbraw/zinc/66/78/75/602667875.db2.gz HRNIFEYVGDLYIW-LBPRGKRZSA-N -1 0 301.342 3.603 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)CC2 ZINC000738296945 602726909 /nfs/dbraw/zinc/72/69/09/602726909.db2.gz CLJQBIVOMKICRV-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM CC(C)(CCC(=O)Nc1cc(Cl)ccc1Cl)NC(=O)[O-] ZINC000738742049 602782153 /nfs/dbraw/zinc/78/21/53/602782153.db2.gz XYBWQKKOWOTBRV-UHFFFAOYSA-N -1 0 319.188 3.758 20 0 DHADRM CC(C)(CCC(=O)Nc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000738744025 602782337 /nfs/dbraw/zinc/78/23/37/602782337.db2.gz MLAQYPBBNOGDBX-UHFFFAOYSA-N -1 0 319.188 3.758 20 0 DHADRM CC(C)(CCC(=O)Oc1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000738748048 602783616 /nfs/dbraw/zinc/78/36/16/602783616.db2.gz UPGVEPIKRAFHHW-UHFFFAOYSA-N -1 0 320.172 3.725 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740159564 602784205 /nfs/dbraw/zinc/78/42/05/602784205.db2.gz QSSNUOTVDKOKHI-UHFFFAOYSA-N -1 0 306.406 3.883 20 0 DHADRM CC(C)CN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)C(C)C ZINC000824250836 602786009 /nfs/dbraw/zinc/78/60/09/602786009.db2.gz BZXDHRQSZHZJAN-HOCLYGCPSA-N -1 0 320.433 3.524 20 0 DHADRM COc1ccc(NC(=O)[C@H](C)c2cccs2)cc1NC(=O)[O-] ZINC000739915858 602790828 /nfs/dbraw/zinc/79/08/28/602790828.db2.gz JVOQRLLMRGWOOL-SECBINFHSA-N -1 0 320.370 3.589 20 0 DHADRM CN(Cc1nc(-c2cccc(OC(F)F)c2)cs1)C(=O)[O-] ZINC000739715166 602810193 /nfs/dbraw/zinc/81/01/93/602810193.db2.gz BTMBCYNAEMVZDR-UHFFFAOYSA-N -1 0 314.313 3.521 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739235378 602810328 /nfs/dbraw/zinc/81/03/28/602810328.db2.gz JGBXEBRJCVJJHZ-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1[nH]c2ccccc2c1-c1csc(CN(C)C(=O)[O-])n1 ZINC000740035459 602810790 /nfs/dbraw/zinc/81/07/90/602810790.db2.gz TWJGKFPCWHBCFD-UHFFFAOYSA-N -1 0 301.371 3.710 20 0 DHADRM CC(C)c1cnc(NC(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000736522279 602813055 /nfs/dbraw/zinc/81/30/55/602813055.db2.gz BSLPFDUMCYQTIA-UHFFFAOYSA-N -1 0 305.359 3.609 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)[O-])C(C)C ZINC000740158460 602819686 /nfs/dbraw/zinc/81/96/86/602819686.db2.gz MIJXTGBXGPCQMB-CQSZACIVSA-N -1 0 321.421 3.532 20 0 DHADRM CCOc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1C ZINC000737186799 602841338 /nfs/dbraw/zinc/84/13/38/602841338.db2.gz ZOVDMRZIRDSTRK-UHFFFAOYSA-N -1 0 314.341 3.736 20 0 DHADRM Cc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1NC(=O)[O-] ZINC000830175723 602850194 /nfs/dbraw/zinc/85/01/94/602850194.db2.gz GHALSTZLZOWBFQ-UHFFFAOYSA-N -1 0 304.390 3.878 20 0 DHADRM CCN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCC1 ZINC000739382539 602900514 /nfs/dbraw/zinc/90/05/14/602900514.db2.gz QPUGWNLSEMACFW-UHFFFAOYSA-N -1 0 317.389 3.524 20 0 DHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)OCc1cccnc1 ZINC000740694791 602927422 /nfs/dbraw/zinc/92/74/22/602927422.db2.gz JLWLHYCULIYIJQ-UHFFFAOYSA-N -1 0 322.320 3.682 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1NC(=O)[O-] ZINC000830192577 602951062 /nfs/dbraw/zinc/95/10/62/602951062.db2.gz NWGGFMXSDYCKPM-CQSZACIVSA-N -1 0 314.341 3.655 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)[C@H](C)C1 ZINC000736767577 602951783 /nfs/dbraw/zinc/95/17/83/602951783.db2.gz DIONJQMTRZALTH-GYSYKLTISA-N -1 0 305.378 3.723 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)CCc2cccc(F)c2F)cc1 ZINC000738671162 602964293 /nfs/dbraw/zinc/96/42/93/602964293.db2.gz ZYZXAVOZMQZIMZ-UHFFFAOYSA-N -1 0 321.279 3.593 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000738667219 602969334 /nfs/dbraw/zinc/96/93/34/602969334.db2.gz MBDJZNCGCNCATF-UHFFFAOYSA-N -1 0 315.300 3.553 20 0 DHADRM CC[C@@H]1CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739273582 602980552 /nfs/dbraw/zinc/98/05/52/602980552.db2.gz TZWIVVPRHCFIRV-LLVKDONJSA-N -1 0 308.353 3.568 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C)C2CCCCC2)cc1NC(=O)[O-] ZINC000830204202 602990227 /nfs/dbraw/zinc/99/02/27/602990227.db2.gz DQPGQRXDFSNTGR-GFCCVEGCSA-N -1 0 304.390 3.784 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCCc2cccs2)n1 ZINC000738818945 603001129 /nfs/dbraw/zinc/00/11/29/603001129.db2.gz ZRNZCVFPWRMWLR-LBPRGKRZSA-N -1 0 323.418 3.661 20 0 DHADRM Cc1c2ccccc2oc1-c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000740029502 603014210 /nfs/dbraw/zinc/01/42/10/603014210.db2.gz DMMUTHKQVHTKLT-VIFPVBQESA-N -1 0 315.329 3.505 20 0 DHADRM CCCCCC[C@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739328636 603014540 /nfs/dbraw/zinc/01/45/40/603014540.db2.gz DWUBKCDCQOWWCV-HNSVSWJLSA-N -1 0 324.465 3.773 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C\c2ccccc2F)cc1 ZINC000827909086 603042994 /nfs/dbraw/zinc/04/29/94/603042994.db2.gz WUDBTFKMKGEDAG-WDZFZDKYSA-N -1 0 315.300 3.559 20 0 DHADRM Cc1oc(C)c(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000830942327 603047140 /nfs/dbraw/zinc/04/71/40/603047140.db2.gz IXRVTWNTXFDXKX-UHFFFAOYSA-N -1 0 303.314 3.538 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739258210 603075243 /nfs/dbraw/zinc/07/52/43/603075243.db2.gz PARMHDMGDPWLAM-QQFBHYJXSA-N -1 0 324.465 3.678 20 0 DHADRM CCCCC1CCC(C(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000739327556 603076555 /nfs/dbraw/zinc/07/65/55/603076555.db2.gz AKMDZDSYZKPIBO-UHFFFAOYSA-N -1 0 324.465 3.678 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738893416 603095350 /nfs/dbraw/zinc/09/53/50/603095350.db2.gz CFEZKRWCHJGJMQ-CYBMUJFWSA-N -1 0 318.417 3.951 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000832829487 603101626 /nfs/dbraw/zinc/10/16/26/603101626.db2.gz SHTLHGKKIGFWJF-OAHLLOKOSA-N -1 0 314.316 3.503 20 0 DHADRM C[C@H]1CC(NC(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)C1 ZINC000736749281 603138026 /nfs/dbraw/zinc/13/80/26/603138026.db2.gz JAEFJQLIJPJCCE-GHMZBOCLSA-N -1 0 305.378 3.723 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738818027 603139762 /nfs/dbraw/zinc/13/97/62/603139762.db2.gz BNVOGLAOPRLTFB-ZDUSSCGKSA-N -1 0 321.421 3.743 20 0 DHADRM CCOc1ccccc1OCCOc1ccc(NC(=O)[O-])cc1 ZINC000827465831 603157785 /nfs/dbraw/zinc/15/77/85/603157785.db2.gz RXSGSLAIQGCHDD-UHFFFAOYSA-N -1 0 317.341 3.633 20 0 DHADRM COc1cc(NC(=O)N2CCCCC[C@H]2C)ccc1NC(=O)[O-] ZINC000739867578 603164381 /nfs/dbraw/zinc/16/43/81/603164381.db2.gz SKDBNPTVNPWABU-LLVKDONJSA-N -1 0 321.377 3.582 20 0 DHADRM Cc1cc(Oc2ccc(NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000830129226 603196536 /nfs/dbraw/zinc/19/65/36/603196536.db2.gz OQBUMDZBTSCZMW-UHFFFAOYSA-N -1 0 322.324 3.729 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740169773 603199838 /nfs/dbraw/zinc/19/98/38/603199838.db2.gz GEOGAZOOHMFEFH-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1NC(=O)[O-] ZINC000830188780 603201884 /nfs/dbraw/zinc/20/18/84/603201884.db2.gz ZYIQCDBKEDAFME-SUMWQHHRSA-N -1 0 324.380 3.918 20 0 DHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000827495221 603208221 /nfs/dbraw/zinc/20/82/21/603208221.db2.gz HPKDCJFLMSLSQO-KBPBESRZSA-N -1 0 322.430 3.523 20 0 DHADRM Cc1ccccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830581793 603212360 /nfs/dbraw/zinc/21/23/60/603212360.db2.gz QUGYQSJPHIVCBS-BBRMVZONSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1cccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830511011 603212503 /nfs/dbraw/zinc/21/25/03/603212503.db2.gz CMLFCQHSNBGEHC-BBRMVZONSA-N -1 0 312.369 3.579 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)NCCC2CCCC2)c(Cl)c1 ZINC000740697449 603214642 /nfs/dbraw/zinc/21/46/42/603214642.db2.gz GAZHAZUHDMCJJC-UHFFFAOYSA-N -1 0 310.781 3.740 20 0 DHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739088888 603215115 /nfs/dbraw/zinc/21/51/15/603215115.db2.gz BJWNDDMBIYRDGG-MSRIBSCDSA-N -1 0 324.808 3.984 20 0 DHADRM CC(C)CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C)C ZINC000738820693 603217356 /nfs/dbraw/zinc/21/73/56/603217356.db2.gz NCFVAVXFRNDIFV-UHFFFAOYSA-N -1 0 312.797 3.937 20 0 DHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739089819 603220551 /nfs/dbraw/zinc/22/05/51/603220551.db2.gz FQEKTEDQAMMFDB-GHMZBOCLSA-N -1 0 308.353 3.566 20 0 DHADRM C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739101103 603233192 /nfs/dbraw/zinc/23/31/92/603233192.db2.gz CCQLUSZMIJIXDP-SNVBAGLBSA-N -1 0 310.781 3.692 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000825442920 603247161 /nfs/dbraw/zinc/24/71/61/603247161.db2.gz SVXMNDCNRSYAOI-SNVBAGLBSA-N -1 0 317.320 3.798 20 0 DHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000831339552 603256754 /nfs/dbraw/zinc/25/67/54/603256754.db2.gz IPLCBQGALFXJNH-OAHLLOKOSA-N -1 0 324.380 3.825 20 0 DHADRM CC1(C)CCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739072468 603297506 /nfs/dbraw/zinc/29/75/06/603297506.db2.gz QOIIZNWMQTVXLV-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000829888988 603312400 /nfs/dbraw/zinc/31/24/00/603312400.db2.gz LVRQULFCRLTNGR-CYBMUJFWSA-N -1 0 312.369 3.647 20 0 DHADRM C[C@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])C(C)(C)C ZINC000738920848 603337040 /nfs/dbraw/zinc/33/70/40/603337040.db2.gz QDZDOTZAZAYUJT-GFCCVEGCSA-N -1 0 321.421 3.600 20 0 DHADRM CN(C(=O)[O-])C1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000737938411 603341151 /nfs/dbraw/zinc/34/11/51/603341151.db2.gz XZKGEYNFQDRKQJ-UHFFFAOYSA-N -1 0 317.216 3.568 20 0 DHADRM CCN(Cc1cccc(NC(=O)N2CCCC[C@@H]2C)c1)C(=O)[O-] ZINC000739442486 603346430 /nfs/dbraw/zinc/34/64/30/603346430.db2.gz MREQHBAZNUDFTF-ZDUSSCGKSA-N -1 0 319.405 3.593 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N1CCCC1(C)C)C(=O)[O-] ZINC000739444447 603353190 /nfs/dbraw/zinc/35/31/90/603353190.db2.gz ABEZDUSWJDZQTJ-UHFFFAOYSA-N -1 0 319.405 3.593 20 0 DHADRM CC(C)C(C)(C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825426422 603385968 /nfs/dbraw/zinc/38/59/68/603385968.db2.gz DNLHRDNKRXMGTC-LLVKDONJSA-N -1 0 307.394 3.571 20 0 DHADRM CCC[C@H](CC)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826735414 603386655 /nfs/dbraw/zinc/38/66/55/603386655.db2.gz NKJIZOWGXBICSN-AAEUAGOBSA-N -1 0 307.394 3.715 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCCCCC2)cc1 ZINC000825427325 603388151 /nfs/dbraw/zinc/38/81/51/603388151.db2.gz TVOAZZPFSHDXPA-ZDUSSCGKSA-N -1 0 319.405 3.813 20 0 DHADRM Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1NC(=O)[O-] ZINC000830155395 603407230 /nfs/dbraw/zinc/40/72/30/603407230.db2.gz NZTZNPJHPDFVJY-UHFFFAOYSA-N -1 0 313.288 3.941 20 0 DHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000832288428 603431137 /nfs/dbraw/zinc/43/11/37/603431137.db2.gz UCZLJVLNJNZALO-NVXWUHKLSA-N -1 0 324.380 3.728 20 0 DHADRM CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[O-])c1 ZINC000823618623 603443729 /nfs/dbraw/zinc/44/37/29/603443729.db2.gz YNTYRNRFRPURDU-ZDUSSCGKSA-N -1 0 312.369 3.886 20 0 DHADRM CCSc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)cn1 ZINC000737894547 603478808 /nfs/dbraw/zinc/47/88/08/603478808.db2.gz YMMSDPJSQICWMM-UHFFFAOYSA-N -1 0 318.354 3.503 20 0 DHADRM Cc1ccc(SCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000830428049 603482741 /nfs/dbraw/zinc/48/27/41/603482741.db2.gz QTJHMKZDWAQZQT-UHFFFAOYSA-N -1 0 317.366 3.783 20 0 DHADRM Cc1ccccc1SCC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830590472 603482751 /nfs/dbraw/zinc/48/27/51/603482751.db2.gz FAHRBYZTYYBLTE-UHFFFAOYSA-N -1 0 317.366 3.783 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3[nH]ccc32)cc1 ZINC000825449714 603498874 /nfs/dbraw/zinc/49/88/74/603498874.db2.gz XCDUKGQOCZZFNC-NSHDSACASA-N -1 0 323.352 3.749 20 0 DHADRM C[C@H](NCC1(NC(=O)[O-])CCCCC1)c1ncc(C(C)(C)C)o1 ZINC000825485922 603617935 /nfs/dbraw/zinc/61/79/35/603617935.db2.gz SMLMLPPKGJJBJS-LBPRGKRZSA-N -1 0 323.437 3.593 20 0 DHADRM Cc1cccc(NC(=O)C2(NC(=O)[O-])CCCCC2)c1Cl ZINC000830512260 603770404 /nfs/dbraw/zinc/77/04/04/603770404.db2.gz WIBOJQZMEMXIMQ-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM Cc1nc(CCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000830741221 603928946 /nfs/dbraw/zinc/92/89/46/603928946.db2.gz BCLCDXLAGVDIKB-UHFFFAOYSA-N -1 0 319.386 3.503 20 0 DHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000825871751 603988675 /nfs/dbraw/zinc/98/86/75/603988675.db2.gz HCMYBYCSHGHSMG-TXEJJXNPSA-N -1 0 317.389 3.522 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000826775713 603988849 /nfs/dbraw/zinc/98/88/49/603988849.db2.gz SXBBNAWSHFMCGK-LBPRGKRZSA-N -1 0 305.378 3.821 20 0 DHADRM CCN(Cc1cccc(NC(=O)N2[C@H](C)CC[C@@H]2C)c1)C(=O)[O-] ZINC000827168198 603993725 /nfs/dbraw/zinc/99/37/25/603993725.db2.gz VZLXGBLQSKKCCN-BETUJISGSA-N -1 0 319.405 3.591 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1 ZINC000826014641 604015210 /nfs/dbraw/zinc/01/52/10/604015210.db2.gz LLZVPLJMCBQEPP-NWDGAFQWSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000825864969 604022308 /nfs/dbraw/zinc/02/23/08/604022308.db2.gz CKLLIMKNOZKBOF-NXEZZACHSA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NCc1cccc2[nH]ccc21 ZINC000832079778 604022723 /nfs/dbraw/zinc/02/27/23/604022723.db2.gz MRYMPHOFOKEIBF-UHFFFAOYSA-N -1 0 307.353 3.821 20 0 DHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1cccc(Cl)c1 ZINC000825603232 604240130 /nfs/dbraw/zinc/24/01/30/604240130.db2.gz PPXPJAXHSUMXPD-VIFPVBQESA-N -1 0 323.732 3.619 20 0 DHADRM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000825772574 604244973 /nfs/dbraw/zinc/24/49/73/604244973.db2.gz MTRSRSNPURXCPT-IBGZPJMESA-N -1 0 324.380 3.580 20 0 DHADRM Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1-c1ncco1 ZINC000821093650 604273039 /nfs/dbraw/zinc/27/30/39/604273039.db2.gz YXELVWSDBLDJQC-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc2ccccc21 ZINC000830528187 604291541 /nfs/dbraw/zinc/29/15/41/604291541.db2.gz INHHWTQNSDBPOL-UHFFFAOYSA-N -1 0 323.323 3.954 20 0 DHADRM CCN(C(=O)c1ccc(F)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC000829601936 604316950 /nfs/dbraw/zinc/31/69/50/604316950.db2.gz FNYPZRHVYUYJDI-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM O=C([O-])c1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)o1 ZINC000833313937 604331113 /nfs/dbraw/zinc/33/11/13/604331113.db2.gz AUNHNJPTDJCIIY-ZDUSSCGKSA-N -1 0 321.760 3.635 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1 ZINC000826090360 604377927 /nfs/dbraw/zinc/37/79/27/604377927.db2.gz RABYOMZSTCSVQO-KRWDZBQOSA-N -1 0 315.413 3.845 20 0 DHADRM CCC(C)(C)CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828608531 604378628 /nfs/dbraw/zinc/37/86/28/604378628.db2.gz AONAKYKWJVXKLV-OAHLLOKOSA-N -1 0 305.418 3.781 20 0 DHADRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)oc1CC ZINC000830213826 604380066 /nfs/dbraw/zinc/38/00/66/604380066.db2.gz JFMMMHXZSWNURO-UHFFFAOYSA-N -1 0 323.295 3.633 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC000826080616 604384918 /nfs/dbraw/zinc/38/49/18/604384918.db2.gz BIKNUHGVZMJWPG-CABCVRRESA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])c1sc(-c2ccccc2)cc1OC[C@H]1CCCOC1 ZINC000833346744 604406624 /nfs/dbraw/zinc/40/66/24/604406624.db2.gz QQXYQMVAXPEZFK-LBPRGKRZSA-N -1 0 318.394 3.919 20 0 DHADRM C/C(=C\C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823526838 604443513 /nfs/dbraw/zinc/44/35/13/604443513.db2.gz DRAQQZDOUPGFKU-RSKUSDAESA-N -1 0 318.417 3.624 20 0 DHADRM CC(C)CCc1nc(CN(C)C2(C(=O)[O-])CCCC2)cs1 ZINC000826861427 604461231 /nfs/dbraw/zinc/46/12/31/604461231.db2.gz SYDDRUYKBUWZJP-UHFFFAOYSA-N -1 0 310.463 3.561 20 0 DHADRM CC(C)(CCC(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC000833456878 604469189 /nfs/dbraw/zinc/46/91/89/604469189.db2.gz HESOWVKUQIZNHD-UHFFFAOYSA-N -1 0 316.353 3.779 20 0 DHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828515438 604485014 /nfs/dbraw/zinc/48/50/14/604485014.db2.gz CHNRVLWDJNTMDM-OTYXRUKQSA-N -1 0 316.382 3.501 20 0 DHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828515440 604485030 /nfs/dbraw/zinc/48/50/30/604485030.db2.gz CHNRVLWDJNTMDM-XPTSAGLGSA-N -1 0 316.382 3.501 20 0 DHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833532584 604494822 /nfs/dbraw/zinc/49/48/22/604494822.db2.gz RPWAIWWWXSGCCM-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1F ZINC000832920892 604495332 /nfs/dbraw/zinc/49/53/32/604495332.db2.gz JRFBIYUFSSZZKF-VIFPVBQESA-N -1 0 322.361 3.777 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)CC2 ZINC000832962318 604498056 /nfs/dbraw/zinc/49/80/56/604498056.db2.gz UGIFXDCLXNXNJG-CYBMUJFWSA-N -1 0 316.382 3.564 20 0 DHADRM CCCOCc1ccccc1CNc1ccc(C(=O)[O-])c(C)n1 ZINC000833652604 604499640 /nfs/dbraw/zinc/49/96/40/604499640.db2.gz VADJVZGMMMYGJH-UHFFFAOYSA-N -1 0 314.385 3.627 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829245865 604502523 /nfs/dbraw/zinc/50/25/23/604502523.db2.gz PHMPDBVLHPPHJP-CMPLNLGQSA-N -1 0 310.419 3.879 20 0 DHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827664573 604525441 /nfs/dbraw/zinc/52/54/41/604525441.db2.gz HBTNPPJJGWAHPS-QWRGUYRKSA-N -1 0 318.398 3.760 20 0 DHADRM CC(C)(C)Oc1cccc(CNc2cccc(F)c2C(=O)[O-])n1 ZINC000833447294 604536802 /nfs/dbraw/zinc/53/68/02/604536802.db2.gz QKTUQIJHEXXRHM-UHFFFAOYSA-N -1 0 318.348 3.708 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000827117399 604543363 /nfs/dbraw/zinc/54/33/63/604543363.db2.gz CTRBEAJZCHNPHO-UHFFFAOYSA-N -1 0 317.320 3.686 20 0 DHADRM CC1(C)CCC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2cccs2)C1 ZINC000833560415 604546318 /nfs/dbraw/zinc/54/63/18/604546318.db2.gz DTNBABUYQNOHNX-SMDDNHRTSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C/c2ccccc2)oc1C(=O)[O-] ZINC000832878218 604547210 /nfs/dbraw/zinc/54/72/10/604547210.db2.gz WKPNBWJUBYXBFG-BCPZQOPPSA-N -1 0 300.310 3.604 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C\c2ccsc2)oc1C(=O)[O-] ZINC000832877536 604550972 /nfs/dbraw/zinc/55/09/72/604550972.db2.gz UJILYHFUXPFCSL-XOULXFPDSA-N -1 0 306.339 3.665 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833385672 604553942 /nfs/dbraw/zinc/55/39/42/604553942.db2.gz INURBDHZMHNIHT-VQHVLOKHSA-N -1 0 318.760 3.717 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)Cc2ccccc2Cl)oc1C(=O)[O-] ZINC000832872546 604560968 /nfs/dbraw/zinc/56/09/68/604560968.db2.gz QENBTRBENZMUEW-SNVBAGLBSA-N -1 0 322.744 3.787 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000826682389 604574484 /nfs/dbraw/zinc/57/44/84/604574484.db2.gz ZQNQMAXNKWHSJT-CVEARBPZSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2csc(C3CC3)n2)oc1C(=O)[O-] ZINC000832872896 604577442 /nfs/dbraw/zinc/57/74/42/604577442.db2.gz DAKLSSDBFMTEML-MRVPVSSYSA-N -1 0 321.354 3.538 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2csc(C(C)C)n2)oc1C(=O)[O-] ZINC000832873345 604580029 /nfs/dbraw/zinc/58/00/29/604580029.db2.gz INPMPAQPOQUMKI-SECBINFHSA-N -1 0 323.370 3.784 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)Cc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000832925807 604582137 /nfs/dbraw/zinc/58/21/37/604582137.db2.gz DHGMNOCMKVQBIS-CYBMUJFWSA-N -1 0 316.353 3.750 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)c2ccccc2F)oc1C(=O)[O-] ZINC000832875985 604584159 /nfs/dbraw/zinc/58/41/59/604584159.db2.gz PTABGTXAWQVSBU-QWRGUYRKSA-N -1 0 320.316 3.833 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Cc2ccccc2)oc1C(=O)[O-] ZINC000832875203 604586395 /nfs/dbraw/zinc/58/63/95/604586395.db2.gz NKGLWNLXKRCXMX-STQMWFEESA-N -1 0 316.353 3.769 20 0 DHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000321343200 604588451 /nfs/dbraw/zinc/58/84/51/604588451.db2.gz WHNNLGWPMZWXFO-OLZOCXBDSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)c2cccs2)oc1C(=O)[O-] ZINC000832873842 604589862 /nfs/dbraw/zinc/58/98/62/604589862.db2.gz INEXTNREEQYPSF-VHSXEESVSA-N -1 0 308.355 3.756 20 0 DHADRM CC(C)[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc(F)cc1 ZINC000833465550 604593942 /nfs/dbraw/zinc/59/39/42/604593942.db2.gz MEGKHZQXJNUFSZ-CQSZACIVSA-N -1 0 320.316 3.600 20 0 DHADRM Cc1ccc([C@H](C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)o1 ZINC000832923358 604594954 /nfs/dbraw/zinc/59/49/54/604594954.db2.gz HQIABESRJCBQDJ-QWRGUYRKSA-N -1 0 306.314 3.596 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC000833642702 604598408 /nfs/dbraw/zinc/59/84/08/604598408.db2.gz HAKPMWVZYHKHEZ-CQSZACIVSA-N -1 0 324.446 3.810 20 0 DHADRM CCCN(CCC)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833651293 604600708 /nfs/dbraw/zinc/60/07/08/604600708.db2.gz UNESCGGKTONERY-UHFFFAOYSA-N -1 0 324.446 3.907 20 0 DHADRM O=C(/C=C\SCc1ccco1)OCc1ccc(C(=O)[O-])s1 ZINC000833092880 604601134 /nfs/dbraw/zinc/60/11/34/604601134.db2.gz OTXMDAIIPKYBEZ-ALCCZGGFSA-N -1 0 324.379 3.530 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000761977839 604613957 /nfs/dbraw/zinc/61/39/57/604613957.db2.gz JUHXHKAUJFRJNX-HCYCVZQXSA-N -1 0 321.804 3.599 20 0 DHADRM CS/C=C/C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832748206 604616996 /nfs/dbraw/zinc/61/69/96/604616996.db2.gz YFJQHBBVPJWXHG-ZWNMCFTASA-N -1 0 321.181 3.539 20 0 DHADRM CS/C=C/C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000832753771 604617909 /nfs/dbraw/zinc/61/79/09/604617909.db2.gz SCZLZDMVIUEUMQ-VOTSOKGWSA-N -1 0 308.380 3.519 20 0 DHADRM CS/C=C\C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000832753770 604618198 /nfs/dbraw/zinc/61/81/98/604618198.db2.gz SCZLZDMVIUEUMQ-SREVYHEPSA-N -1 0 308.380 3.519 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1Br ZINC000833525030 604625587 /nfs/dbraw/zinc/62/55/87/604625587.db2.gz MFIZFBUXQFWLEM-VIFPVBQESA-N -1 0 321.174 3.715 20 0 DHADRM CN(C(=O)[O-])c1ccc(NCc2cnc3ccccc3c2)cc1 ZINC000830518374 604643623 /nfs/dbraw/zinc/64/36/23/604643623.db2.gz ATKKXFCYYUMEIS-UHFFFAOYSA-N -1 0 307.353 3.961 20 0 DHADRM O=C([O-])c1cc(CNc2ccccc2OC2CCCC2)c[nH]1 ZINC000833298266 604655304 /nfs/dbraw/zinc/65/53/04/604655304.db2.gz WPXJGUWCOVVDJE-UHFFFAOYSA-N -1 0 300.358 3.646 20 0 DHADRM CCc1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)oc1CC ZINC000830213796 604668619 /nfs/dbraw/zinc/66/86/19/604668619.db2.gz HIBGMPOCNBIMJV-UHFFFAOYSA-N -1 0 302.330 3.747 20 0 DHADRM CCc1ccccc1NC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827604402 604673911 /nfs/dbraw/zinc/67/39/11/604673911.db2.gz NEHRIDYIVOEYBR-ZDUSSCGKSA-N -1 0 318.417 3.604 20 0 DHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)oc1C ZINC000832868576 604696098 /nfs/dbraw/zinc/69/60/98/604696098.db2.gz PHMCQMCJJHQJTC-ZDUSSCGKSA-N -1 0 308.717 3.533 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000829348952 604717774 /nfs/dbraw/zinc/71/77/74/604717774.db2.gz UFMJZVNCOGMOGM-KRWDZBQOSA-N -1 0 317.429 3.889 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833386324 604724084 /nfs/dbraw/zinc/72/40/84/604724084.db2.gz 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O=C([O-])Nc1cccc(CNC2(c3nccs3)CCCC2)c1 ZINC000834269800 605607782 /nfs/dbraw/zinc/60/77/82/605607782.db2.gz RKBABISCVSLHTP-UHFFFAOYSA-N -1 0 317.414 3.792 20 0 DHADRM O=C([O-])Nc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000834259676 605614830 /nfs/dbraw/zinc/61/48/30/605614830.db2.gz DQAGDUYDGRJAEQ-CQSZACIVSA-N -1 0 317.776 3.772 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000761898837 605619221 /nfs/dbraw/zinc/61/92/21/605619221.db2.gz RSWYMZDGUKRTPV-WDMOLILDSA-N -1 0 311.809 3.654 20 0 DHADRM Cc1cc(C(=O)NCc2cc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829957147 605619814 /nfs/dbraw/zinc/61/98/14/605619814.db2.gz XZCSMQUQDSOGNK-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM O=C([O-])N1CCC(CNc2ccc(-c3nccs3)cc2)CC1 ZINC000834078441 605638213 /nfs/dbraw/zinc/63/82/13/605638213.db2.gz PWKNEAKJRRWNGH-UHFFFAOYSA-N -1 0 317.414 3.612 20 0 DHADRM Cc1cc(C(=O)N(C)c2cc(F)ccc2F)ccc1NC(=O)[O-] ZINC000829914370 605661027 /nfs/dbraw/zinc/66/10/27/605661027.db2.gz 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605757832 /nfs/dbraw/zinc/75/78/32/605757832.db2.gz JEOMGHXSNHZFII-UHFFFAOYSA-N -1 0 304.733 3.611 20 0 DHADRM O=C([O-])N1CCCN(C[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000834109492 605765897 /nfs/dbraw/zinc/76/58/97/605765897.db2.gz IZMAHWGNYQUVTL-JTQLQIEISA-N -1 0 315.200 3.575 20 0 DHADRM Cc1cccc(Oc2ccccc2NC(=O)CCCC(=O)[O-])c1 ZINC000319627776 605775777 /nfs/dbraw/zinc/77/57/77/605775777.db2.gz OYTKCTVBUYZOAR-UHFFFAOYSA-N -1 0 313.353 3.981 20 0 DHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccc(C3CC3)cc2)cc1 ZINC000834254351 605803527 /nfs/dbraw/zinc/80/35/27/605803527.db2.gz AVIQSDYOJAKYMZ-UHFFFAOYSA-N -1 0 310.353 3.835 20 0 DHADRM CCCCCC[C@H](CC)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000826819235 605836884 /nfs/dbraw/zinc/83/68/84/605836884.db2.gz BZVDKTLBKVPARP-QLFBSQMISA-N -1 0 312.454 3.630 20 0 DHADRM Cc1scc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1C ZINC000833938519 605856311 /nfs/dbraw/zinc/85/63/11/605856311.db2.gz OFTRVLLBUJNAAI-LLVKDONJSA-N -1 0 309.391 3.770 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CN(c1cccc(C(=O)[O-])n1)CC2 ZINC000833450011 605861799 /nfs/dbraw/zinc/86/17/99/605861799.db2.gz VIJOYDZVRACVET-UHFFFAOYSA-N -1 0 310.397 3.640 20 0 DHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1-c1cccs1 ZINC000834234974 605916919 /nfs/dbraw/zinc/91/69/19/605916919.db2.gz LRFYXPAYFXGEQF-UHFFFAOYSA-N -1 0 318.398 3.792 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000834261718 606039554 /nfs/dbraw/zinc/03/95/54/606039554.db2.gz DFPLGTPKNZHETF-MRXNPFEDSA-N -1 0 310.353 3.909 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc3[nH]ccc3c2)cc1 ZINC000834261846 606039584 /nfs/dbraw/zinc/03/95/84/606039584.db2.gz GFIFTVAESPRVRW-WAPJZHGLSA-N -1 0 321.336 3.910 20 0 DHADRM O=C([O-])N1CCC[C@@H](Nc2ccccc2CC(F)(F)F)CC1 ZINC000834102335 606049949 /nfs/dbraw/zinc/04/99/49/606049949.db2.gz DEFMIUDXJGEMHR-GFCCVEGCSA-N -1 0 316.323 3.736 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cc(F)cc(Cl)c1 ZINC000834273829 606084247 /nfs/dbraw/zinc/08/42/47/606084247.db2.gz PBIKJGOXOLLFAK-UHFFFAOYSA-N -1 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CCC[C@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000630145456 939812527 /nfs/dbraw/zinc/81/25/27/939812527.db2.gz TVZSZAXWZYNPJV-YOEHRIQHSA-N -1 0 323.820 3.593 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000630188496 939814845 /nfs/dbraw/zinc/81/48/45/939814845.db2.gz GNGNCFHBDPJMSS-AWEZNQCLSA-N -1 0 317.410 3.537 20 0 DHADRM CSc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000630247196 939820003 /nfs/dbraw/zinc/82/00/03/939820003.db2.gz FJSMBRVVILATEO-KRWDZBQOSA-N -1 0 321.442 3.562 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(=O)[O-])c1C ZINC000659156314 939848066 /nfs/dbraw/zinc/84/80/66/939848066.db2.gz JRHVEMVRCCHTCP-HOCLYGCPSA-N -1 0 315.413 3.516 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000663052550 939851661 /nfs/dbraw/zinc/85/16/61/939851661.db2.gz NGDIFUXJNRGDNY-CYBMUJFWSA-N -1 0 311.328 3.628 20 0 DHADRM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000683921664 939871294 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Cc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC001600541573 970824848 /nfs/dbraw/zinc/82/48/48/970824848.db2.gz NSUAAZUBPFQQMP-WBVHZDCISA-N -1 0 324.380 3.738 20 0 DHADRM O=C([O-])c1cccc2c1CCN(C(=O)C1CCCCCCC1)C2 ZINC000322368534 970878618 /nfs/dbraw/zinc/87/86/18/970878618.db2.gz ITXKNMAFIJOBMP-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)c1 ZINC001602432772 971193714 /nfs/dbraw/zinc/19/37/14/971193714.db2.gz HXSCLBDLTHWGGO-UHFFFAOYSA-N -1 0 323.348 3.546 20 0 DHADRM O=C([O-])CCc1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000034797593 948803469 /nfs/dbraw/zinc/80/34/69/948803469.db2.gz CGVFOCVZSWFELK-UHFFFAOYSA-N -1 0 310.309 3.546 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cccc(C(F)F)c2)CCCC1 ZINC000337726191 971516773 /nfs/dbraw/zinc/51/67/73/971516773.db2.gz ZZYUEZQQAZRPAW-UHFFFAOYSA-N -1 0 311.328 3.988 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358611128 971532769 /nfs/dbraw/zinc/53/27/69/971532769.db2.gz 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ZINC001589622294 949429353 /nfs/dbraw/zinc/42/93/53/949429353.db2.gz ZMJQRLVXLIXDSW-CJNGLKHVSA-N -1 0 319.401 3.617 20 0 DHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589622295 949429766 /nfs/dbraw/zinc/42/97/66/949429766.db2.gz ZMJQRLVXLIXDSW-CZUORRHYSA-N -1 0 319.401 3.617 20 0 DHADRM CCC[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCC1 ZINC001589633757 949582830 /nfs/dbraw/zinc/58/28/30/949582830.db2.gz HFYFHROFIZSRFG-GDBMZVCRSA-N -1 0 324.465 3.632 20 0 DHADRM CCC[C@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC001589634666 949598355 /nfs/dbraw/zinc/59/83/55/949598355.db2.gz UZIBYRVRLYFWNT-HOTGVXAUSA-N -1 0 320.433 3.574 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N1CCc2cc(Cl)ccc21 ZINC001595255555 949601958 /nfs/dbraw/zinc/60/19/58/949601958.db2.gz AIYKAALOGMBWDD-UHFFFAOYSA-N -1 0 316.744 3.633 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589637288 949623472 /nfs/dbraw/zinc/62/34/72/949623472.db2.gz BRZHMXRGRLMHQX-QWHCGFSZSA-N -1 0 319.405 3.508 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589638047 949638909 /nfs/dbraw/zinc/63/89/09/949638909.db2.gz WIHJBGFYZQZBGY-XHSDSOJGSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC1CCC(N(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C(C)C)CC1 ZINC001589638107 949641630 /nfs/dbraw/zinc/64/16/30/949641630.db2.gz YRGSJLXCENNCJL-QDIHITRGSA-N -1 0 309.450 3.693 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589642453 949708491 /nfs/dbraw/zinc/70/84/91/949708491.db2.gz VNYKACNTKVSIOI-DAYGRLMNSA-N -1 0 309.450 3.552 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589644861 949712663 /nfs/dbraw/zinc/71/26/63/949712663.db2.gz CPBJEVYXSAXTJH-SWLSCSKDSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589644821 949713032 /nfs/dbraw/zinc/71/30/32/949713032.db2.gz AVXSQZKOQARBSS-KDOFPFPSSA-N -1 0 305.418 3.709 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C1CCc2ccccc2CC1 ZINC001595265096 949736173 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IDZLBFATHAHNKA-UHFFFAOYSA-N -1 0 316.184 3.528 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC001592863301 951376186 /nfs/dbraw/zinc/37/61/86/951376186.db2.gz UZAWOMXBJGURTG-KBXCAEBGSA-N -1 0 320.385 3.581 20 0 DHADRM CCOc1cccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001592863383 951377830 /nfs/dbraw/zinc/37/78/30/951377830.db2.gz ZEFVFDVMPAIBMR-QGZVFWFLSA-N -1 0 311.381 3.664 20 0 DHADRM O=C([O-])c1c(NC(=O)C2(F)CCCC2)sc2c1CCCC2 ZINC001595206416 952329315 /nfs/dbraw/zinc/32/93/15/952329315.db2.gz KQGNWHGDJJXPAX-UHFFFAOYSA-N -1 0 311.378 3.546 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001602933610 971899003 /nfs/dbraw/zinc/89/90/03/971899003.db2.gz BVWRDTGPNNVMJY-QWRGUYRKSA-N -1 0 323.355 3.505 20 0 DHADRM Cc1cc2occ(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2cc1C ZINC000424256870 953438803 /nfs/dbraw/zinc/43/88/03/953438803.db2.gz VZDAYOBMYFITIE-ZDUSSCGKSA-N -1 0 317.385 3.526 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NCC[C@@H]1CCc2ccccc21 ZINC001594753892 953457254 /nfs/dbraw/zinc/45/72/54/953457254.db2.gz AYEAOXGNAMTHJJ-AWEZNQCLSA-N -1 0 324.380 3.626 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424398637 953462848 /nfs/dbraw/zinc/46/28/48/953462848.db2.gz ASVMCIFVEGZYIA-HNNXBMFYSA-N -1 0 320.433 3.670 20 0 DHADRM CC[C@H](NC(=O)Nc1ccccc1-c1ccc(C)s1)C(=O)[O-] ZINC001593619216 953520426 /nfs/dbraw/zinc/52/04/26/953520426.db2.gz LKXROJRPRHFHTR-LBPRGKRZSA-N -1 0 318.398 3.708 20 0 DHADRM C[C@H]1CC(C)(C)N(C(=O)c2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001589284258 953543209 /nfs/dbraw/zinc/54/32/09/953543209.db2.gz DANUQDVWPIDBLE-LBPRGKRZSA-N -1 0 324.380 3.712 20 0 DHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)C3(C(=O)[O-])CCC3)c21 ZINC001589285604 953566212 /nfs/dbraw/zinc/56/62/12/953566212.db2.gz ZYORERQJSSWWFW-NSHDSACASA-N -1 0 301.386 3.665 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC001589286038 953572596 /nfs/dbraw/zinc/57/25/96/953572596.db2.gz LUYKKXBNVKRIIH-HLPPOEQASA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](CCC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000565756264 953617012 /nfs/dbraw/zinc/61/70/12/953617012.db2.gz OVTSQMRWNDJMRI-HNNXBMFYSA-N -1 0 317.429 3.674 20 0 DHADRM CCc1ccc(CN(CC(C)C)C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001593637916 953622480 /nfs/dbraw/zinc/62/24/80/953622480.db2.gz STEOGHYTTVCBDI-QGZVFWFLSA-N -1 0 319.445 3.590 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C1CC1 ZINC000567361953 953631218 /nfs/dbraw/zinc/63/12/18/953631218.db2.gz BQHKQUWHUXBDKT-CYBMUJFWSA-N -1 0 316.401 3.591 20 0 DHADRM CCc1ccc2occ(C(=O)NCc3ccccc3C(=O)[O-])c2c1 ZINC001593640061 953637027 /nfs/dbraw/zinc/63/70/27/953637027.db2.gz KXXQIHUSQKZXDJ-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC001602960723 971947348 /nfs/dbraw/zinc/94/73/48/971947348.db2.gz IWIODXQOGNDGOO-KRWDZBQOSA-N -1 0 311.381 3.673 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000578326987 953701196 /nfs/dbraw/zinc/70/11/96/953701196.db2.gz MUWQSYLCLINAPM-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM CCc1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2s1 ZINC001593651709 953711401 /nfs/dbraw/zinc/71/14/01/953711401.db2.gz YOGBPHNODQPCQI-ZDUSSCGKSA-N -1 0 320.414 3.544 20 0 DHADRM Cc1oc2ccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)cc2c1C ZINC000581770493 953719717 /nfs/dbraw/zinc/71/97/17/953719717.db2.gz DZMKEENKEXDDRY-JTQLQIEISA-N -1 0 316.357 3.519 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000592360261 953745056 /nfs/dbraw/zinc/74/50/56/953745056.db2.gz CNFSPNAIOBXGHB-NSHDSACASA-N -1 0 307.415 3.522 20 0 DHADRM CCc1sc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001593657548 953759992 /nfs/dbraw/zinc/75/99/92/953759992.db2.gz HGAUNKNYHZLRCJ-LLVKDONJSA-N -1 0 311.447 3.628 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000597025648 953783122 /nfs/dbraw/zinc/78/31/22/953783122.db2.gz DMLQXIFYUJMHJV-RQJHMYQMSA-N -1 0 322.213 3.527 20 0 DHADRM CCn1c(C(=O)Nc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001593659760 953785418 /nfs/dbraw/zinc/78/54/18/953785418.db2.gz GCSYYHWYLMAAFX-UHFFFAOYSA-N -1 0 308.337 3.612 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000618020523 953787765 /nfs/dbraw/zinc/78/77/65/953787765.db2.gz DBLNGIKFICZSTH-RQJHMYQMSA-N -1 0 322.213 3.527 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001589310573 953788334 /nfs/dbraw/zinc/78/83/34/953788334.db2.gz SCSJSFRTZOAQJA-KBUPBQIOSA-N -1 0 311.466 3.558 20 0 DHADRM CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc(C)ccc1C ZINC000626769196 953816193 /nfs/dbraw/zinc/81/61/93/953816193.db2.gz UUSPAZOHTVYFQJ-OAHLLOKOSA-N -1 0 320.433 3.555 20 0 DHADRM CC[C@H](NC(=O)NCCCCCC(=O)[O-])c1cc(C)ccc1C ZINC000626766972 953816503 /nfs/dbraw/zinc/81/65/03/953816503.db2.gz VDMKQQQFIHAORC-INIZCTEOSA-N -1 0 320.433 3.699 20 0 DHADRM Cc1cc(NC(=O)C2(c3cccnc3)CCCC2)ccc1C(=O)[O-] ZINC000630138171 953840011 /nfs/dbraw/zinc/84/00/11/953840011.db2.gz DQEZUMNISXQVNH-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589319022 953840416 /nfs/dbraw/zinc/84/04/16/953840416.db2.gz DPVFXQUSUHDVKC-HIFRSBDPSA-N -1 0 318.417 3.652 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)C1(C)C ZINC001589324269 953886431 /nfs/dbraw/zinc/88/64/31/953886431.db2.gz QTJFMOKJHWZKFL-WZSOIAESSA-N -1 0 307.434 3.519 20 0 DHADRM O=C([O-])c1c(NC(=O)C(F)=C2CCC2)sc2c1CCCC2 ZINC001594821888 953906091 /nfs/dbraw/zinc/90/60/91/953906091.db2.gz NOJZOCPREAWMSR-UHFFFAOYSA-N -1 0 309.362 3.671 20 0 DHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC001593676792 953936295 /nfs/dbraw/zinc/93/62/95/953936295.db2.gz VFGPMUCQCRXRIG-AWEZNQCLSA-N -1 0 305.418 3.694 20 0 DHADRM CN(C(=O)Nc1cccc(C(=O)[O-])c1)c1cccc2cc[nH]c21 ZINC001593681195 953954575 /nfs/dbraw/zinc/95/45/75/953954575.db2.gz XXIKWRPKOVKIAX-UHFFFAOYSA-N -1 0 309.325 3.534 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000647742085 953972321 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CC[C@H](C)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001589463427 954872852 /nfs/dbraw/zinc/87/28/52/954872852.db2.gz AKMONEVLIVPHRG-ZENOOKHLSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001589463643 954876974 /nfs/dbraw/zinc/87/69/74/954876974.db2.gz GXGKWSYNZNJPKR-XJKSGUPXSA-N -1 0 305.418 3.677 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])s2)n1 ZINC001589465147 954897396 /nfs/dbraw/zinc/89/73/96/954897396.db2.gz XOGGVHDEDNSBDJ-SNVBAGLBSA-N -1 0 306.387 3.631 20 0 DHADRM CC[C@@H](C)n1ncc(NC(=O)C(CC)(CC)C(=O)[O-])c1C1CC1 ZINC001589465657 954905759 /nfs/dbraw/zinc/90/57/59/954905759.db2.gz ZSNWNINYSJRVRU-LLVKDONJSA-N -1 0 321.421 3.561 20 0 DHADRM CCC(CC)(CNC(=O)NCC[C@@H](C)CC(C)(C)C)C(=O)[O-] ZINC001589493328 955012656 /nfs/dbraw/zinc/01/26/56/955012656.db2.gz AMTSJMXVVMNMSN-CYBMUJFWSA-N -1 0 314.470 3.639 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000761723950 955313385 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C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCCC(=O)[O-] ZINC000852956633 955884192 /nfs/dbraw/zinc/88/41/92/955884192.db2.gz UTBXTUQWBTUKCY-QGZVFWFLSA-N -1 0 323.820 3.519 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(F)cc1C(C)(F)F ZINC001589084837 955894014 /nfs/dbraw/zinc/89/40/14/955894014.db2.gz JIEOFGNMOSASAJ-NSHDSACASA-N -1 0 317.307 3.623 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000864592293 955997869 /nfs/dbraw/zinc/99/78/69/955997869.db2.gz ZMWMICLYHFTDHZ-KLPPZKSPSA-N -1 0 322.430 3.562 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000387898629 972147084 /nfs/dbraw/zinc/14/70/84/972147084.db2.gz RPOJCDDOWVGEAC-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM CC(C)Sc1ccc(COC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001603088180 972162542 /nfs/dbraw/zinc/16/25/42/972162542.db2.gz RLQQCWSTNNDAHR-UHFFFAOYSA-N -1 0 320.410 3.651 20 0 DHADRM CSc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000388376974 972168215 /nfs/dbraw/zinc/16/82/15/972168215.db2.gz 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956707506 /nfs/dbraw/zinc/70/75/06/956707506.db2.gz JEWOPHFESZOLRO-UHFFFAOYSA-N -1 0 324.380 3.619 20 0 DHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC001589213622 956717755 /nfs/dbraw/zinc/71/77/55/956717755.db2.gz STWGUSTUXTUTEE-HXUWFJFHSA-N -1 0 321.376 3.701 20 0 DHADRM CC1(C)CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001589226336 956801348 /nfs/dbraw/zinc/80/13/48/956801348.db2.gz MYXYSIVHIJLQHG-LJQANCHMSA-N -1 0 313.397 3.512 20 0 DHADRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000006432707 956876328 /nfs/dbraw/zinc/87/63/28/956876328.db2.gz VKLDNHAVDKZCSM-JXMROGBWSA-N -1 0 316.740 3.700 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1C(F)F ZINC001594710242 956876529 /nfs/dbraw/zinc/87/65/29/956876529.db2.gz OCTAFFXLMVOLNO-UHFFFAOYSA-N -1 0 305.280 3.504 20 0 DHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccccc1F ZINC000006624957 956877851 /nfs/dbraw/zinc/87/78/51/956877851.db2.gz UOYUFPKPEBPZSG-CLFYSBASSA-N -1 0 302.301 3.511 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)Oc1cccc2ccccc21 ZINC001594710477 956879360 /nfs/dbraw/zinc/87/93/60/956879360.db2.gz WGTKHVBIEDEYNI-UHFFFAOYSA-N -1 0 306.317 3.686 20 0 DHADRM O=C([O-])c1cccc(CSc2ncnc3sccc32)c1 ZINC000013061872 956922754 /nfs/dbraw/zinc/92/27/54/956922754.db2.gz IGGOMBGRCQZWPN-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1cccs1 ZINC000013170149 956955052 /nfs/dbraw/zinc/95/50/52/956955052.db2.gz DEBVFTOUAHNCME-UHFFFAOYSA-N -1 0 321.423 3.627 20 0 DHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013179082 956961908 /nfs/dbraw/zinc/96/19/08/956961908.db2.gz CVHGFZUHXQJCNV-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013188131 956972742 /nfs/dbraw/zinc/97/27/42/956972742.db2.gz GMSIUOGWXFZLLC-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1cc(C)cc(OCCCSc2ncccc2C(=O)[O-])c1 ZINC000013189084 956975112 /nfs/dbraw/zinc/97/51/12/956975112.db2.gz JXKAEJQTOWOHKK-UHFFFAOYSA-N -1 0 317.410 3.958 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001603142202 972232794 /nfs/dbraw/zinc/23/27/94/972232794.db2.gz MBRPCAVLZHAECA-ZDUSSCGKSA-N -1 0 312.454 3.536 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013253095 956993228 /nfs/dbraw/zinc/99/32/28/956993228.db2.gz CUZHWHXIHVVZGE-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM CC1=C(C)C[C@](C)(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001589256822 957004159 /nfs/dbraw/zinc/00/41/59/957004159.db2.gz XPAZKSLIAKTRDG-GOSISDBHSA-N -1 0 301.386 3.528 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1C ZINC000909480984 957020791 /nfs/dbraw/zinc/02/07/91/957020791.db2.gz DYIOOOIIXCCULK-ZDUSSCGKSA-N -1 0 323.820 3.674 20 0 DHADRM C[C@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000013390058 957042191 /nfs/dbraw/zinc/04/21/91/957042191.db2.gz IQIKGFGNPBWAAF-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM C[C@@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000013390057 957042330 /nfs/dbraw/zinc/04/23/30/957042330.db2.gz 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Cc1cc(C(=O)[O-])c(NC(=O)[C@H]2CSc3ccccc32)s1 ZINC000092237779 958162503 /nfs/dbraw/zinc/16/25/03/958162503.db2.gz WYAFKYBLTLRLKP-NSHDSACASA-N -1 0 319.407 3.583 20 0 DHADRM Cc1cc(Oc2cc(C(=O)[O-])ccc2F)nc(C2CCC2)n1 ZINC001594328037 958189663 /nfs/dbraw/zinc/18/96/63/958189663.db2.gz GOBBBNSXYKFBIF-UHFFFAOYSA-N -1 0 302.305 3.682 20 0 DHADRM Cc1cc2c(ncnc2N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001594331385 958225187 /nfs/dbraw/zinc/22/51/87/958225187.db2.gz CRDIKOZBSKRERL-LLVKDONJSA-N -1 0 307.419 3.691 20 0 DHADRM Cc1ccc(-c2ncccc2NC(=O)CCCCC(=O)[O-])s1 ZINC001594337191 958272779 /nfs/dbraw/zinc/27/27/79/958272779.db2.gz AVLJGHDWWIPBDW-UHFFFAOYSA-N -1 0 318.398 3.702 20 0 DHADRM O=C([O-])CSc1nc(-c2cccs2)nc2ccccc21 ZINC000096196148 958336120 /nfs/dbraw/zinc/33/61/20/958336120.db2.gz XARPGVCXJSSFJO-UHFFFAOYSA-N -1 0 302.380 3.535 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001594355089 958407971 /nfs/dbraw/zinc/40/79/71/958407971.db2.gz MZIROJAZBKSKGV-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)N(C)CCC(=O)[O-])o2)c1 ZINC000683313128 1013176868 /nfs/dbraw/zinc/17/68/68/1013176868.db2.gz KNEHHOUDJLXGFF-UHFFFAOYSA-N -1 0 315.369 3.617 20 0 DHADRM Cc1ccc(OC(=O)c2cccc(C(=O)[O-])c2)c2c1[C@@H](C)CC2=O ZINC001594374528 958577431 /nfs/dbraw/zinc/57/74/31/958577431.db2.gz PRFFCDNZXSIILI-NSHDSACASA-N -1 0 324.332 3.602 20 0 DHADRM Cc1ccc([C@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001594378387 958610407 /nfs/dbraw/zinc/61/04/07/958610407.db2.gz XXLZJZYKLILKHB-CUZBXDDWSA-N -1 0 300.310 3.604 20 0 DHADRM Cc1ccc2c(C(=O)Nc3ccnc(C(=O)[O-])c3)csc2c1 ZINC001594381603 958631593 /nfs/dbraw/zinc/63/15/93/958631593.db2.gz QBLDQGXPBOTZQT-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588488415 958634770 /nfs/dbraw/zinc/63/47/70/958634770.db2.gz NEHHRHQCSRQBPM-BENRWUELSA-N -1 0 314.312 3.671 20 0 DHADRM CCC[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128157535 958638302 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CC(C)(C)c1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])o1 ZINC001573463043 958924360 /nfs/dbraw/zinc/92/43/60/958924360.db2.gz WOIWJGOCQFJBGT-UHFFFAOYSA-N -1 0 316.357 3.597 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC001573485204 958993127 /nfs/dbraw/zinc/99/31/27/958993127.db2.gz XUVKLQLOWCOPSW-GDBMZVCRSA-N -1 0 317.429 3.595 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573489482 958998976 /nfs/dbraw/zinc/99/89/76/958998976.db2.gz FQPQYBDZZNJEBN-OAGGEKHMSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594418700 959040425 /nfs/dbraw/zinc/04/04/25/959040425.db2.gz HCKLZANNTVCCBM-YGNAEDSMSA-N -1 0 313.353 3.519 20 0 DHADRM CC(C)C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001573501637 959068158 /nfs/dbraw/zinc/06/81/58/959068158.db2.gz HTWCGRZKCTWWEC-OAHLLOKOSA-N -1 0 312.369 3.548 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573516644 959100920 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Cc1nc(C(C)C)ccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594449918 959359557 /nfs/dbraw/zinc/35/95/57/959359557.db2.gz RHPKVYQVLHYBME-UHFFFAOYSA-N -1 0 313.353 3.569 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC001594227303 959432838 /nfs/dbraw/zinc/43/28/38/959432838.db2.gz BCJZZAHKMVPMCA-KQDJYFMNSA-N -1 0 322.575 3.696 20 0 DHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000180015984 959437521 /nfs/dbraw/zinc/43/75/21/959437521.db2.gz LAYIMICCZSEQJA-RYUDHWBXSA-N -1 0 323.820 3.582 20 0 DHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573608804 959470788 /nfs/dbraw/zinc/47/07/88/959470788.db2.gz ZOICTOMPYRQING-XJKSGUPXSA-N -1 0 319.445 3.604 20 0 DHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573608800 959471408 /nfs/dbraw/zinc/47/14/08/959471408.db2.gz ZOICTOMPYRQING-BBRMVZONSA-N -1 0 319.445 3.604 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000190600721 959514888 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CC(C)(C)/C=C\C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588642900 959708293 /nfs/dbraw/zinc/70/82/93/959708293.db2.gz QSWUUYKEGKNNQM-IWMPZKFUSA-N -1 0 315.413 3.659 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)[O-] ZINC001588646369 959738291 /nfs/dbraw/zinc/73/82/91/959738291.db2.gz VTYBWVPZCQRZNO-HNNXBMFYSA-N -1 0 317.429 3.504 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)[O-] ZINC001588646371 959738646 /nfs/dbraw/zinc/73/86/46/959738646.db2.gz VTYBWVPZCQRZNO-OAHLLOKOSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@@H]1[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001573691557 959784627 /nfs/dbraw/zinc/78/46/27/959784627.db2.gz VQJOTRHECFERDR-MJXNMMHHSA-N -1 0 323.392 3.692 20 0 DHADRM C[C@@H]1CC(CNC(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H](C)C1 ZINC001573698058 959797345 /nfs/dbraw/zinc/79/73/45/959797345.db2.gz FCLWWTXZIUXGRS-RYUDHWBXSA-N -1 0 304.390 3.579 20 0 DHADRM C[C@@H]1CC(CNC(=O)C2(C(=O)[O-])CCCCCC2)C[C@@H](C)C1 ZINC001573698899 959809531 /nfs/dbraw/zinc/80/95/31/959809531.db2.gz QBTKSBNSKCMHTM-KBPBESRZSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001573711301 959851100 /nfs/dbraw/zinc/85/11/00/959851100.db2.gz LEWSLWOBJQNIQQ-XCGBKTJRSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC001588654099 960406832 /nfs/dbraw/zinc/40/68/32/960406832.db2.gz UZIUEISRBVNLED-UHFFFAOYSA-N -1 0 305.418 3.557 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001588654003 960407209 /nfs/dbraw/zinc/40/72/09/960407209.db2.gz PMWBUDOFBDRXOI-SHTZXODSSA-N -1 0 309.450 3.552 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001574258145 960555193 /nfs/dbraw/zinc/55/51/93/960555193.db2.gz WNHKLXGQXKVCMX-UHFFFAOYSA-N -1 0 313.806 3.645 20 0 DHADRM CC[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001573757771 960571576 /nfs/dbraw/zinc/57/15/76/960571576.db2.gz DUHTXCGIULFVHO-ZDUSSCGKSA-N -1 0 301.317 3.656 20 0 DHADRM CC/C(=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC001573757901 960575889 /nfs/dbraw/zinc/57/58/89/960575889.db2.gz DCUIUTYRPWQJHG-HKBKRHGFSA-N -1 0 317.429 3.652 20 0 DHADRM CC[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCC(C)CC1 ZINC001573758180 960580812 /nfs/dbraw/zinc/58/08/12/960580812.db2.gz GOSSCBQECCPMPY-CKUJCDMFSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)C1CCC(C)CC1 ZINC001573758991 960591273 /nfs/dbraw/zinc/59/12/73/960591273.db2.gz MVLKXYCZLRAZOB-MXPGSBBYSA-N -1 0 309.450 3.551 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3cc(Cl)ccc3C2)cc1 ZINC001204155328 960602617 /nfs/dbraw/zinc/60/26/17/960602617.db2.gz IMDYRYKEIVHQOP-UHFFFAOYSA-N -1 0 301.773 3.597 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001573767997 960636099 /nfs/dbraw/zinc/63/60/99/960636099.db2.gz JOYMLGFYZYMNRF-NRXISQOPSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)COCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236612405 960714866 /nfs/dbraw/zinc/71/48/66/960714866.db2.gz BSLKJFFFIMJYPK-UHFFFAOYSA-N -1 0 321.398 3.601 20 0 DHADRM CC(C)[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236642356 960722025 /nfs/dbraw/zinc/72/20/25/960722025.db2.gz JNJIEZZDHYRZRU-CRAIPNDOSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)(CNC(=O)N[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001573783870 960722883 /nfs/dbraw/zinc/72/28/83/960722883.db2.gz KQPKZLRSOIQAMY-HNNXBMFYSA-N -1 0 320.433 3.574 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-] ZINC000236649118 960722746 /nfs/dbraw/zinc/72/27/46/960722746.db2.gz SGOGBMZHXPWNCR-HOCLYGCPSA-N -1 0 305.418 3.638 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000236671643 960729275 /nfs/dbraw/zinc/72/92/75/960729275.db2.gz UOJGSZUHNQCQNL-WQLSENKSSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000236671599 960729431 /nfs/dbraw/zinc/72/94/31/960729431.db2.gz QCAUHPHPLNKZNO-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1c(C(=O)N(CC(=O)[O-])CC(C)C)sc2cccc(F)c12 ZINC000236701881 960736487 /nfs/dbraw/zinc/73/64/87/960736487.db2.gz OLZBUVJKPOQHLT-UHFFFAOYSA-N -1 0 323.389 3.532 20 0 DHADRM CCC(CC)(CNC(=O)c1cccc2c1CCCCC2)C(=O)[O-] ZINC001573790333 960747427 /nfs/dbraw/zinc/74/74/27/960747427.db2.gz LSHASDQKLJJEIM-UHFFFAOYSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236748414 960748413 /nfs/dbraw/zinc/74/84/13/960748413.db2.gz AGRRQSXYEOXHIL-XYPHTWIQSA-N -1 0 317.429 3.673 20 0 DHADRM CCCCC[C@@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000236810090 960762675 /nfs/dbraw/zinc/76/26/75/960762675.db2.gz XWBGWJPWXCGXCZ-OAHLLOKOSA-N -1 0 305.418 3.504 20 0 DHADRM CCCCC[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000236821605 960765801 /nfs/dbraw/zinc/76/58/01/960765801.db2.gz BYHCALUOQVICHZ-QGZVFWFLSA-N -1 0 313.397 3.532 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](C)CCc1ccccc1F)C(=O)[O-] ZINC000236828601 960767717 /nfs/dbraw/zinc/76/77/17/960767717.db2.gz FEGKEHVDMACMQC-CZUORRHYSA-N -1 0 323.408 3.544 20 0 DHADRM O=C([O-])c1cc(NC(=O)CC2CC(F)(F)C2)cc2ccccc21 ZINC001261843430 960767732 /nfs/dbraw/zinc/76/77/32/960767732.db2.gz HFAJVVNENYQVOK-UHFFFAOYSA-N -1 0 319.307 3.912 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000236843996 960772246 /nfs/dbraw/zinc/77/22/46/960772246.db2.gz GCZYIZIPGCIMRJ-GFCCVEGCSA-N -1 0 322.792 3.585 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3cc(Cl)ccc32)c1 ZINC001574315289 960780311 /nfs/dbraw/zinc/78/03/11/960780311.db2.gz KRFDOBRZWWICJN-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1oc2ccc(Cl)cc2c1C ZINC000236947537 960808689 /nfs/dbraw/zinc/80/86/89/960808689.db2.gz BVVJDXJGCJGJIK-VIFPVBQESA-N -1 0 323.776 3.720 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000155089264 1013201008 /nfs/dbraw/zinc/20/10/08/1013201008.db2.gz URGGXUBYTAEFJT-NSHDSACASA-N -1 0 307.337 3.558 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N[C@](C)(CC)CC(=O)[O-])cc1 ZINC000236990715 960827018 /nfs/dbraw/zinc/82/70/18/960827018.db2.gz IEXQCNYEIFBYQR-SCLBCKFNSA-N -1 0 305.418 3.502 20 0 DHADRM CCCn1nc(C)c(-c2ccc(CC(=O)[O-])cc2Cl)c1C ZINC001262383001 960843416 /nfs/dbraw/zinc/84/34/16/960843416.db2.gz LKYUCBOFJMQGGU-UHFFFAOYSA-N -1 0 306.793 3.857 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000237038448 960849487 /nfs/dbraw/zinc/84/94/87/960849487.db2.gz XKJFGLZQEWUCMR-CABCVRRESA-N -1 0 305.418 3.590 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000237050099 960854160 /nfs/dbraw/zinc/85/41/60/960854160.db2.gz XJPNHNSTBROOAO-NSHDSACASA-N -1 0 307.733 3.512 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574330746 960884049 /nfs/dbraw/zinc/88/40/49/960884049.db2.gz MDABPGQMBGCZHA-DAXSKMNVSA-N -1 0 305.717 3.592 20 0 DHADRM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC000237322291 960909751 /nfs/dbraw/zinc/90/97/51/960909751.db2.gz XAGLEHGDYBUXSL-GJZGRUSLSA-N -1 0 309.450 3.696 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1C)c1cccc(F)c1 ZINC001319329099 960942075 /nfs/dbraw/zinc/94/20/75/960942075.db2.gz WEHJOPZDFQQLAD-PKNBQFBNSA-N -1 0 313.328 3.874 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001319418026 960950129 /nfs/dbraw/zinc/95/01/29/960950129.db2.gz XBAMEFZUHBSGSX-ZDUSSCGKSA-N -1 0 311.381 3.998 20 0 DHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000237563742 960963040 /nfs/dbraw/zinc/96/30/40/960963040.db2.gz GJIOCQMTTPLQQI-LBPRGKRZSA-N -1 0 315.394 3.813 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC001319929026 960965785 /nfs/dbraw/zinc/96/57/85/960965785.db2.gz PICASMCFXDIVMH-CQSZACIVSA-N -1 0 309.365 3.752 20 0 DHADRM Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1C(=O)[O-] ZINC000237587180 960967289 /nfs/dbraw/zinc/96/72/89/960967289.db2.gz BDFHCSCNAOBBHT-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc(-c2cccc(CNC(=O)C3(C(=O)[O-])CCC3)c2)cc1 ZINC001574347203 960969256 /nfs/dbraw/zinc/96/92/56/960969256.db2.gz DTAQUAYVRCMCEQ-UHFFFAOYSA-N -1 0 323.392 3.533 20 0 DHADRM CCC1(CC)CCC(NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001573822296 960971081 /nfs/dbraw/zinc/97/10/81/960971081.db2.gz IPCZGNYANLHWNM-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM Cc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000237611267 960971762 /nfs/dbraw/zinc/97/17/62/960971762.db2.gz ITNLTTXYVKRGCG-UHFFFAOYSA-N -1 0 323.801 3.979 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCC1CCCC1)c1ccccc1 ZINC000237603870 960971994 /nfs/dbraw/zinc/97/19/94/960971994.db2.gz MGLHJWCPNDTUFO-KSSFIOAISA-N -1 0 317.429 3.925 20 0 DHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(C(=O)[O-])c(C)c2)o1 ZINC001574347942 960973515 /nfs/dbraw/zinc/97/35/15/960973515.db2.gz NGZKDYFGBIEICB-UHFFFAOYSA-N -1 0 311.341 3.597 20 0 DHADRM CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000013467923 1013217564 /nfs/dbraw/zinc/21/75/64/1013217564.db2.gz BNMAYZJSYULUFO-IKGGRYGDSA-N -1 0 315.413 3.557 20 0 DHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237796014 961025296 /nfs/dbraw/zinc/02/52/96/961025296.db2.gz NJAQNPGGAQFTKW-QWRGUYRKSA-N -1 0 319.357 3.636 20 0 DHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237810650 961027572 /nfs/dbraw/zinc/02/75/72/961027572.db2.gz ALHKYCAQVNPIKH-ZDUSSCGKSA-N -1 0 321.417 3.609 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001324965996 961048504 /nfs/dbraw/zinc/04/85/04/961048504.db2.gz BDHLFRFQKLTYCF-GOEBONIOSA-N -1 0 323.477 3.942 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573840692 961069825 /nfs/dbraw/zinc/06/98/25/961069825.db2.gz HCAWDGDSYHMZAJ-BBRMVZONSA-N -1 0 318.417 3.543 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1 ZINC000238016416 961077359 /nfs/dbraw/zinc/07/73/59/961077359.db2.gz XBMAVOOLPHYXTB-UHFFFAOYSA-N -1 0 319.360 3.511 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001573841253 961079687 /nfs/dbraw/zinc/07/96/87/961079687.db2.gz RXOFLSVGELQOKN-KRWDZBQOSA-N -1 0 323.437 3.638 20 0 DHADRM Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c2c1[C@H](C)CC2=O ZINC001326310264 961080116 /nfs/dbraw/zinc/08/01/16/961080116.db2.gz APDUFHNPPKKWOZ-GFCCVEGCSA-N -1 0 310.349 3.962 20 0 DHADRM O=C([O-])c1ccc(CCNC(=O)CCCC2CCCCC2)cc1 ZINC000238075804 961090811 /nfs/dbraw/zinc/09/08/11/961090811.db2.gz CDQBSVHZSCGULU-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)CC2 ZINC001574382143 961110591 /nfs/dbraw/zinc/11/05/91/961110591.db2.gz NJSKZHWHTWSSOU-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])cc2c1 ZINC001574384515 961128637 /nfs/dbraw/zinc/12/86/37/961128637.db2.gz NSGLKMDKQNABTH-ABAIWWIYSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)CCCC(=O)[O-])c1 ZINC001588739162 961144520 /nfs/dbraw/zinc/14/45/20/961144520.db2.gz CALYRJMZEZWIMO-UHFFFAOYSA-N -1 0 314.385 3.726 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NCc2ccccc2C(=O)[O-])s1 ZINC001588739539 961154646 /nfs/dbraw/zinc/15/46/46/961154646.db2.gz ICSFAVJOMDKLGJ-UHFFFAOYSA-N -1 0 317.410 3.674 20 0 DHADRM CCCc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573866593 961192958 /nfs/dbraw/zinc/19/29/58/961192958.db2.gz BLRMIHMGWKLBIL-MSOLQXFVSA-N -1 0 323.392 3.682 20 0 DHADRM Cc1cccc(Nc2nnc(SCCCC(=O)[O-])s2)c1 ZINC001574396914 961211965 /nfs/dbraw/zinc/21/19/65/961211965.db2.gz CLMYBMAPMGHIBU-UHFFFAOYSA-N -1 0 309.416 3.547 20 0 DHADRM CC(C)(CC(=O)N1CCC[C@H](CC(=O)[O-])C1)C1CCCCC1 ZINC001588754586 961215455 /nfs/dbraw/zinc/21/54/55/961215455.db2.gz DBTBJMGANSEIMP-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cccc(Cl)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574398388 961223800 /nfs/dbraw/zinc/22/38/00/961223800.db2.gz MCJOKLILSYHAKH-LBPRGKRZSA-N -1 0 311.809 3.658 20 0 DHADRM CC(C)(CC(=O)Nc1ccnc(C(=O)[O-])c1)C1CCCCC1 ZINC001588756383 961223989 /nfs/dbraw/zinc/22/39/89/961223989.db2.gz QIQIAOSBVFRYDY-UHFFFAOYSA-N -1 0 304.390 3.715 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cccnc1C(=O)[O-] ZINC001574402436 961243073 /nfs/dbraw/zinc/24/30/73/961243073.db2.gz 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ZINC001573956694 961674477 /nfs/dbraw/zinc/67/44/77/961674477.db2.gz MQGFPMKKCIODPB-ZYHUDNBSSA-N -1 0 324.808 3.619 20 0 DHADRM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC000262435471 961719741 /nfs/dbraw/zinc/71/97/41/961719741.db2.gz TVHHYALTNDSBAW-NSHDSACASA-N -1 0 303.383 3.508 20 0 DHADRM C[C@@H](Cc1ccc(NC2CCC3(CCCO3)CC2)cc1)C(=O)[O-] ZINC001334017838 961746848 /nfs/dbraw/zinc/74/68/48/961746848.db2.gz WZIPFGSDRYLGFZ-STJZUHDESA-N -1 0 317.429 3.854 20 0 DHADRM CC(C)[C@H](OC(=O)CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001588835165 961760681 /nfs/dbraw/zinc/76/06/81/961760681.db2.gz FWSAZHKMKFDZBU-SFHVURJKSA-N -1 0 304.386 3.671 20 0 DHADRM Cc1c2cc(F)ccc2oc1C(=O)NCCCCCCC(=O)[O-] ZINC000262579604 961778198 /nfs/dbraw/zinc/77/81/98/961778198.db2.gz YSOZGKUSEXVQGE-UHFFFAOYSA-N -1 0 321.348 3.645 20 0 DHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262654845 961796749 /nfs/dbraw/zinc/79/67/49/961796749.db2.gz LGLVATJIZVBNCS-BBWFWOEESA-N -1 0 315.413 3.550 20 0 DHADRM 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/nfs/dbraw/zinc/05/06/30/1014050630.db2.gz BBRGWAPNNKZRJU-NSHDSACASA-N -1 0 305.761 3.699 20 0 DHADRM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)cc1 ZINC000394646113 972728725 /nfs/dbraw/zinc/72/87/25/972728725.db2.gz IXSGGCVQRKUVOO-UHFFFAOYSA-N -1 0 319.788 3.679 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(-c3ccccc3)co2)c1 ZINC001605141019 972815874 /nfs/dbraw/zinc/81/58/74/972815874.db2.gz PWVSIEAXEZQLGH-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM O=C([O-])C1(C(=O)OCc2ccc(-c3ccccc3)cc2)CCC1 ZINC001605952434 972921105 /nfs/dbraw/zinc/92/11/05/972921105.db2.gz WHIIIBUKEIPSBN-UHFFFAOYSA-N -1 0 310.349 3.652 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001603375597 972924199 /nfs/dbraw/zinc/92/41/99/972924199.db2.gz BVSBJZCQBZQMKX-LJISPDSOSA-N -1 0 309.450 3.693 20 0 DHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001603382858 972974646 /nfs/dbraw/zinc/97/46/46/972974646.db2.gz MAZDEBSFBJVNEP-KLHWPWHYSA-N -1 0 319.426 3.556 20 0 DHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)C1 ZINC001603397434 973038828 /nfs/dbraw/zinc/03/88/28/973038828.db2.gz MVLFMWAANZKFFT-CABCVRRESA-N -1 0 321.461 3.696 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605277807 973072273 /nfs/dbraw/zinc/07/22/73/973072273.db2.gz SGQIOLAFJLINMI-SNAWJCMRSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(F)cc1[C@@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001605284828 973084366 /nfs/dbraw/zinc/08/43/66/973084366.db2.gz RYPLHTPOKICEPR-PXAZEXFGSA-N -1 0 306.333 3.549 20 0 DHADRM C[C@H]1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001603417117 973125964 /nfs/dbraw/zinc/12/59/64/973125964.db2.gz MTUXQLCRKZRXFB-VFDRBLODSA-N -1 0 321.461 3.718 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC001605321591 973160064 /nfs/dbraw/zinc/16/00/64/973160064.db2.gz LYPIGKXRNICQSU-VXGBXAGGSA-N -1 0 309.431 3.652 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H](F)CC2CCCCC2)C(=O)[O-])c1 ZINC001605328353 973181416 /nfs/dbraw/zinc/18/14/16/973181416.db2.gz NRERKACJPFQCDF-CVEARBPZSA-N -1 0 321.392 3.545 20 0 DHADRM NC(=O)c1cc(F)cc(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210928668 1014090459 /nfs/dbraw/zinc/09/04/59/1014090459.db2.gz FMOHWLFWKTXSJO-UHFFFAOYSA-N -1 0 315.131 3.681 20 0 DHADRM Nc1cc2c(cc1Nc1cc(Cl)c([O-])c(Cl)c1)OCO2 ZINC001210929352 1014090526 /nfs/dbraw/zinc/09/05/26/1014090526.db2.gz YRPBPDRHHRJOKA-UHFFFAOYSA-N -1 0 313.140 3.754 20 0 DHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccccc3C(=O)[O-])cc21 ZINC001210967757 1014098242 /nfs/dbraw/zinc/09/82/42/1014098242.db2.gz WEULCIYWAZPJME-UHFFFAOYSA-N -1 0 322.364 3.527 20 0 DHADRM OC1CCN(c2ccc(Nc3cccc([S-])c3)cc2)CC1 ZINC001210947561 1014094272 /nfs/dbraw/zinc/09/42/72/1014094272.db2.gz SIVSVDQFDYVIRG-UHFFFAOYSA-N -1 0 300.427 3.680 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(C(=O)c2ccncc2)cc1 ZINC001210969837 1014098676 /nfs/dbraw/zinc/09/86/76/1014098676.db2.gz XAPPNHKCGMGQJE-UHFFFAOYSA-N -1 0 318.332 3.754 20 0 DHADRM CO[C@@H](CN1CC[C@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001604471454 973345569 /nfs/dbraw/zinc/34/55/69/973345569.db2.gz SVZAXRKIRJSSDZ-WMZOPIPTSA-N -1 0 317.429 3.660 20 0 DHADRM CC[C@@H](SCc1ccc(SC(=O)N(C)C)cc1)C(=O)[O-] ZINC001603593811 973811080 /nfs/dbraw/zinc/81/10/80/973811080.db2.gz PLZRUWYTCBLXBA-GFCCVEGCSA-N -1 0 313.444 3.557 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)C2CCCCCC2)C1 ZINC001603600523 973839761 /nfs/dbraw/zinc/83/97/61/973839761.db2.gz LWSPWSZKQSDPDF-KBXCAEBGSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cscc2Cl)C1 ZINC001603600535 973840023 /nfs/dbraw/zinc/84/00/23/973840023.db2.gz MKVKPCQLBADURM-CYBMUJFWSA-N -1 0 316.810 3.510 20 0 DHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)ccc1O ZINC001606464911 973922449 /nfs/dbraw/zinc/92/24/49/973922449.db2.gz JYPGQYQPNMQPTK-MRVWCRGKSA-N -1 0 317.385 3.635 20 0 DHADRM CC[C@H]1CN(Cc2ccc(C(=O)[O-])s2)c2ccccc2O1 ZINC001603628139 973944706 /nfs/dbraw/zinc/94/47/06/973944706.db2.gz FDTYTFKNXPNODB-NSHDSACASA-N -1 0 303.383 3.624 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603628621 973949829 /nfs/dbraw/zinc/94/98/29/973949829.db2.gz RYJKMYIFBQSYDQ-KRWDZBQOSA-N -1 0 324.380 3.561 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001603633110 973957234 /nfs/dbraw/zinc/95/72/34/973957234.db2.gz WDRHUPNFWDDRED-CJNGLKHVSA-N -1 0 303.402 3.734 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001603633112 973957802 /nfs/dbraw/zinc/95/78/02/973957802.db2.gz WDRHUPNFWDDRED-XJKSGUPXSA-N -1 0 303.402 3.734 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2CC2CCCC2)o1 ZINC001606482968 973964415 /nfs/dbraw/zinc/96/44/15/973964415.db2.gz LYYKGNMSKOXQDO-QQBNSCQMSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC001606495360 973980377 /nfs/dbraw/zinc/98/03/77/973980377.db2.gz SQZLSASQRWFCQM-JKSUJKDBSA-N -1 0 302.370 3.644 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccsc1Cl 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DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(F)c1 ZINC000478836787 974209312 /nfs/dbraw/zinc/20/93/12/974209312.db2.gz OTCBWXHOOBPRSW-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000479516464 974216863 /nfs/dbraw/zinc/21/68/63/974216863.db2.gz LSRJEAZQHSWPSA-HAQNSBGRSA-N -1 0 307.365 3.925 20 0 DHADRM CCOC(=O)C1CCC(SCc2ccc(C(=O)[O-])cc2)CC1 ZINC001603792219 974251109 /nfs/dbraw/zinc/25/11/09/974251109.db2.gz LVDOESSVIFENPG-UHFFFAOYSA-N -1 0 322.426 3.740 20 0 DHADRM Cc1cc(C)c(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000517372243 974317688 /nfs/dbraw/zinc/31/76/88/974317688.db2.gz YXYLOPPEILEZEK-GFCCVEGCSA-N -1 0 304.415 3.617 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000534165721 974377973 /nfs/dbraw/zinc/37/79/73/974377973.db2.gz LNZAOLBDUSOLAF-JTQLQIEISA-N -1 0 319.307 3.714 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)CCCCC(=O)[O-])c1 ZINC001603876098 974378640 /nfs/dbraw/zinc/37/86/40/974378640.db2.gz 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C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000630228012 975176169 /nfs/dbraw/zinc/17/61/69/975176169.db2.gz AWSDPMXCOVONAG-LBPRGKRZSA-N -1 0 323.820 3.580 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630233464 975180507 /nfs/dbraw/zinc/18/05/07/975180507.db2.gz VDZJFCRLOZOEBE-KRWDZBQOSA-N -1 0 317.429 3.536 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630268075 975211572 /nfs/dbraw/zinc/21/15/72/975211572.db2.gz VFNWXPHBXDVPBQ-HNNXBMFYSA-N -1 0 321.417 3.722 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000630281910 975227105 /nfs/dbraw/zinc/22/71/05/975227105.db2.gz PGTNEGZWMODEGQ-NXHRZFHOSA-N -1 0 323.392 3.555 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630293856 975234307 /nfs/dbraw/zinc/23/43/07/975234307.db2.gz BZYKQBGEZHRUED-BHYGNILZSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)(CNC(=O)c1cccc(CC(=O)[O-])c1)C1=CCCCC1 ZINC000630301952 975240344 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CCC(C)(C)OCc1ccccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000634828584 975277625 /nfs/dbraw/zinc/27/76/25/975277625.db2.gz ACWOIQIHSLPTIG-ZDUSSCGKSA-N -1 0 321.417 3.831 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(F)(F)F ZINC000634890797 975280437 /nfs/dbraw/zinc/28/04/37/975280437.db2.gz HVTBYSDRKGVQAQ-GFCCVEGCSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)Cn1nccc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000647646578 975372633 /nfs/dbraw/zinc/37/26/33/975372633.db2.gz DGRDRTDYVFJLSD-UHFFFAOYSA-N -1 0 315.417 3.513 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)CC(C)(C)CC(=O)[O-])CC2 ZINC000648342755 975382440 /nfs/dbraw/zinc/38/24/40/975382440.db2.gz HTWMIZVQEWRZFP-MRXNPFEDSA-N -1 0 317.429 3.805 20 0 DHADRM Cc1oc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2c1C ZINC000649369933 975408631 /nfs/dbraw/zinc/40/86/31/975408631.db2.gz FVYWLYBZSXXVRL-UHFFFAOYSA-N -1 0 303.358 3.879 20 0 DHADRM CCCC(C)(C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000652062347 975463489 /nfs/dbraw/zinc/46/34/89/975463489.db2.gz 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ZINC000659148345 975749008 /nfs/dbraw/zinc/74/90/08/975749008.db2.gz YCCUCUZDORQSFP-UHFFFAOYSA-N -1 0 317.307 3.621 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659147946 975749310 /nfs/dbraw/zinc/74/93/10/975749310.db2.gz UKFZNAMVZDLYJS-GOEBONIOSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CC2(CC2)C1)c1cccc2ccccc21 ZINC000659155478 975755568 /nfs/dbraw/zinc/75/55/68/975755568.db2.gz DXURLVLUVJWGKR-QGZVFWFLSA-N -1 0 323.392 3.662 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC000659158597 975757655 /nfs/dbraw/zinc/75/76/55/975757655.db2.gz FWKOMFYYTDOEDB-QGZVFWFLSA-N -1 0 305.349 3.528 20 0 DHADRM CC1=CC[C@](C)(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC000659161525 975760357 /nfs/dbraw/zinc/76/03/57/975760357.db2.gz XYMBCNPZCZIKFP-UGSOOPFHSA-N -1 0 301.386 3.950 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)CCc2ccccc2C(=O)[O-])C[C@@H](C)C1 ZINC000659170596 975769726 /nfs/dbraw/zinc/76/97/26/975769726.db2.gz PRTQXAYBDCRLNG-FICVDOATSA-N -1 0 317.429 3.506 20 0 DHADRM CC(C)Oc1c(NC(=O)NCCC(C)(C)C)cccc1C(=O)[O-] ZINC001591746359 975782157 /nfs/dbraw/zinc/78/21/57/975782157.db2.gz DWFDGYRHROQAPD-UHFFFAOYSA-N -1 0 322.405 3.730 20 0 DHADRM CC1(C)CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC000659192469 975791040 /nfs/dbraw/zinc/79/10/40/975791040.db2.gz WEMKXGCZFNYDRP-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659194124 975794493 /nfs/dbraw/zinc/79/44/93/975794493.db2.gz RUKIKVRCDBXUES-RFBLXINOSA-N -1 0 321.461 3.551 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC001591760846 975841595 /nfs/dbraw/zinc/84/15/95/975841595.db2.gz BCUNMIALSKYZOM-TZMCWYRMSA-N -1 0 319.401 3.937 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](C3CCCCC3)C2)C1 ZINC000659233665 975843168 /nfs/dbraw/zinc/84/31/68/975843168.db2.gz NYSGMEYLPBMSCZ-ZACQAIPSSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1coc(C2CC2)n1 ZINC001591773350 975913377 /nfs/dbraw/zinc/91/33/77/975913377.db2.gz ZCPMNOOWQAYXAB-UHFFFAOYSA-N -1 0 316.357 3.650 20 0 DHADRM Cc1ccoc1CN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000663261545 975939497 /nfs/dbraw/zinc/93/94/97/975939497.db2.gz KSMRQGHPHDAODP-ZDUSSCGKSA-N -1 0 313.275 3.522 20 0 DHADRM Cc1cccc([C@@H]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)C2)c1 ZINC000668298525 975990164 /nfs/dbraw/zinc/99/01/64/975990164.db2.gz BHAVNWTYFXUMNF-MRXNPFEDSA-N -1 0 323.392 3.631 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N(C)C1CC(C)(C)C1)C(=O)[O-] ZINC000668322006 975997948 /nfs/dbraw/zinc/99/79/48/975997948.db2.gz GSJQMVUZRZWGEA-LLVKDONJSA-N -1 0 321.442 3.512 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000668324343 975998812 /nfs/dbraw/zinc/99/88/12/975998812.db2.gz RDBKATLDLONQMX-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM C[C@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC000675992508 976023333 /nfs/dbraw/zinc/02/33/33/976023333.db2.gz GRTYQPZHRGOECU-CYBMUJFWSA-N -1 0 321.392 3.565 20 0 DHADRM CC(C)SCC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001591824133 976082507 /nfs/dbraw/zinc/08/25/07/976082507.db2.gz WQUKITTWRMYEQH-UHFFFAOYSA-N -1 0 304.367 3.585 20 0 DHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2cccc(F)c2[O-])cc1 ZINC001125467139 1014305081 /nfs/dbraw/zinc/30/50/81/1014305081.db2.gz JXAQBYSSIRPOTA-LBPRGKRZSA-N -1 0 317.360 3.810 20 0 DHADRM CC(C)[C@@H](NCc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(=O)[O-] ZINC001591844046 976119601 /nfs/dbraw/zinc/11/96/01/976119601.db2.gz XMGWGQAXCMPSCB-CYBMUJFWSA-N -1 0 324.490 3.592 20 0 DHADRM CC(C)c1[nH]c(CN(C)Cc2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC001591910488 976319211 /nfs/dbraw/zinc/31/92/11/976319211.db2.gz GHMNGTJVODTTJC-UHFFFAOYSA-N -1 0 322.355 3.747 20 0 DHADRM CC(C)c1[nH]c(CNC2(C(F)F)CCCC2)cc1C(=O)[O-] ZINC001591915734 976359755 /nfs/dbraw/zinc/35/97/55/976359755.db2.gz CXIBUPVPQFRRMB-UHFFFAOYSA-N -1 0 300.349 3.504 20 0 DHADRM CC(C)c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c(O)c1 ZINC001591935829 976453818 /nfs/dbraw/zinc/45/38/18/976453818.db2.gz HHMOGYKJWQVIBY-UHFFFAOYSA-N -1 0 324.336 3.931 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001591941713 976462713 /nfs/dbraw/zinc/46/27/13/976462713.db2.gz DGWYWGGBBWGWBH-UHFFFAOYSA-N -1 0 309.365 3.711 20 0 DHADRM CC(C)c1ccc(C(=O)NCc2cc(C(=O)[O-])co2)cc1Cl ZINC001591942166 976467124 /nfs/dbraw/zinc/46/71/24/976467124.db2.gz DBISNZMDIUSXRP-UHFFFAOYSA-N -1 0 321.760 3.685 20 0 DHADRM CC(C)c1ccc(CCC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001591953245 976515534 /nfs/dbraw/zinc/51/55/34/976515534.db2.gz UXIAFKMGQTVEBE-CQSZACIVSA-N -1 0 317.429 3.597 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c(C(=O)[O-])c1 ZINC001591965875 976561076 /nfs/dbraw/zinc/56/10/76/976561076.db2.gz SXIQLQXPVDGZKJ-UKRRQHHQSA-N -1 0 319.401 3.650 20 0 DHADRM CC(C)c1ccc(NC(=O)N(C)C2CCCC2)c(C(=O)[O-])c1 ZINC001591965957 976562241 /nfs/dbraw/zinc/56/22/41/976562241.db2.gz WVIGWEQGBKJYEV-UHFFFAOYSA-N -1 0 304.390 3.915 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1C(=O)[O-])CC2 ZINC001591974009 976583846 /nfs/dbraw/zinc/58/38/46/976583846.db2.gz NLNYZKWHXBJZOU-GOSISDBHSA-N -1 0 323.392 3.926 20 0 DHADRM CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC(=O)[O-])C3)c2c1 ZINC001591980275 976593476 /nfs/dbraw/zinc/59/34/76/976593476.db2.gz GAQZQMFXENZOPO-OCCSQVGLSA-N -1 0 313.401 3.809 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001591983965 976605261 /nfs/dbraw/zinc/60/52/61/976605261.db2.gz WCDHMTSGXXZUCS-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001592002658 976652837 /nfs/dbraw/zinc/65/28/37/976652837.db2.gz BFEITQYUIWOOJM-LLVKDONJSA-N -1 0 310.396 3.916 20 0 DHADRM CC(C)c1csc(CNCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001592007998 976670521 /nfs/dbraw/zinc/67/05/21/976670521.db2.gz ASQYSTJIYQFRGM-UHFFFAOYSA-N -1 0 324.833 3.908 20 0 DHADRM CC(C)c1nc(NC(=O)/C=C/C2CCCC2)sc1C(=O)[O-] ZINC001592021290 976714066 /nfs/dbraw/zinc/71/40/66/976714066.db2.gz BGBSRSBNIZPYIS-BQYQJAHWSA-N -1 0 308.403 3.650 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@@H]2CCC[C@H]2C)sc1C(=O)[O-] ZINC001592021898 976717461 /nfs/dbraw/zinc/71/74/61/976717461.db2.gz IMCRIRUZMJCSBN-ZJUUUORDSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1nnc(CNc2cccc(Cl)c2C(=O)[O-])s1 ZINC001592059368 976798019 /nfs/dbraw/zinc/79/80/19/976798019.db2.gz FGWMRAFVGPQZTA-UHFFFAOYSA-N -1 0 311.794 3.625 20 0 DHADRM CC(C)c1nnc(NCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001592075763 976826941 /nfs/dbraw/zinc/82/69/41/976826941.db2.gz QTPYWINSZVAYJY-UHFFFAOYSA-N -1 0 311.794 3.625 20 0 DHADRM CC(C)c1occc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592102166 976867298 /nfs/dbraw/zinc/86/72/98/976867298.db2.gz DOVKEBFCDSNSQU-AWEZNQCLSA-N -1 0 306.289 3.525 20 0 DHADRM COC(=O)c1cc2[nH]ccc2cc1-c1cc(F)c(O)cc1F ZINC001211339202 1014358116 /nfs/dbraw/zinc/35/81/16/1014358116.db2.gz LQRYGPMWAVRIDD-UHFFFAOYSA-N -1 0 303.264 3.605 20 0 DHADRM CC(C)n1cc(Cl)c(NCc2ccc(C(=O)[O-])cc2F)n1 ZINC001592131580 976967892 /nfs/dbraw/zinc/96/78/92/976967892.db2.gz LPGFTLZBXHKBNO-UHFFFAOYSA-N -1 0 311.744 3.567 20 0 DHADRM C[C@@H](C1CC1)n1cc(N[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592180373 977092055 /nfs/dbraw/zinc/09/20/55/977092055.db2.gz AICMMKFKDKJQQN-BONVTDFDSA-N -1 0 319.792 3.745 20 0 DHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)C1(C2CCCCC2)CCCCC1 ZINC001592195596 977181893 /nfs/dbraw/zinc/18/18/93/977181893.db2.gz WXBGCCJSHWSZJZ-PLSXKVAHSA-N -1 0 307.434 3.663 20 0 DHADRM C[C@@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])CC(C)(C)C ZINC001592236149 977442605 /nfs/dbraw/zinc/44/26/05/977442605.db2.gz JWCWYLIDLMGGEZ-LBPRGKRZSA-N -1 0 303.402 3.736 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)CC(C)(C)C ZINC001592242336 977459183 /nfs/dbraw/zinc/45/91/83/977459183.db2.gz DINWATNFIXONJO-RYUDHWBXSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)CC(C)(C)C ZINC001592254370 977489291 /nfs/dbraw/zinc/48/92/91/977489291.db2.gz HAQJHKKNYVYHIS-SWLSCSKDSA-N -1 0 323.408 3.573 20 0 DHADRM C[C@@H](CC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1)CC(C)(C)C ZINC001592274828 977551618 /nfs/dbraw/zinc/55/16/18/977551618.db2.gz VUYOJFYOOYRTSW-VIFPVBQESA-N -1 0 312.797 3.834 20 0 DHADRM Cc1[nH]nc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)c1[O-] ZINC000614656380 1014432079 /nfs/dbraw/zinc/43/20/79/1014432079.db2.gz BPVKODHUYDRPEX-CQSZACIVSA-N -1 0 315.417 3.592 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001592381508 977918855 /nfs/dbraw/zinc/91/88/55/977918855.db2.gz HSFYKYOPEKFFGZ-CORIIIEPSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001592381796 977921264 /nfs/dbraw/zinc/92/12/64/977921264.db2.gz PWIVBBWMELMBMJ-YALNPMBYSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC001592391125 977935108 /nfs/dbraw/zinc/93/51/08/977935108.db2.gz CAMPXGLWDYLFQO-ZETCQYMHSA-N -1 0 323.698 3.798 20 0 DHADRM CCCC[C@@H](CC)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000684109583 1014444965 /nfs/dbraw/zinc/44/49/65/1014444965.db2.gz GPCDYAINSYCRBI-MRXNPFEDSA-N -1 0 305.418 3.706 20 0 DHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccsc1)c1cccc(F)c1 ZINC001592423210 978039244 /nfs/dbraw/zinc/03/92/44/978039244.db2.gz BLQFULGULRAKEC-BONVTDFDSA-N -1 0 322.357 3.750 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC001592423274 978039334 /nfs/dbraw/zinc/03/93/34/978039334.db2.gz CUYXKAYIOJCGPI-LLVKDONJSA-N -1 0 318.348 3.647 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(SC(C)(C)C)nc2)no1 ZINC001592424678 978047163 /nfs/dbraw/zinc/04/71/63/978047163.db2.gz VTHBOQDJXVQWTF-SECBINFHSA-N -1 0 321.402 3.600 20 0 DHADRM C[C@H](CC(=O)O[C@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC001592428562 978051224 /nfs/dbraw/zinc/05/12/24/978051224.db2.gz FDLRPHRDJCDBKE-CZUORRHYSA-N -1 0 319.401 3.542 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001592439669 978091960 /nfs/dbraw/zinc/09/19/60/978091960.db2.gz NICUKHZWZYSIMZ-MRVPVSSYSA-N -1 0 310.419 3.730 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001592466225 978211728 /nfs/dbraw/zinc/21/17/28/978211728.db2.gz SISXBMHWHXPRCO-CQSZACIVSA-N -1 0 317.429 3.536 20 0 DHADRM C[C@H](CCC(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccccc1 ZINC001592470503 978222685 /nfs/dbraw/zinc/22/26/85/978222685.db2.gz JHTXNOVXFOLKMR-CQSZACIVSA-N -1 0 315.413 3.569 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592476786 978237396 /nfs/dbraw/zinc/23/73/96/978237396.db2.gz AVFIXMJBJPKJHA-GFCCVEGCSA-N -1 0 318.417 3.521 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001592476942 978239329 /nfs/dbraw/zinc/23/93/29/978239329.db2.gz DXGFJGMSVGYKJM-CQSZACIVSA-N -1 0 317.429 3.793 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001592477679 978246235 /nfs/dbraw/zinc/24/62/35/978246235.db2.gz MQKJLFMUBBOYCY-QPSCCSFWSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001592478603 978252838 /nfs/dbraw/zinc/25/28/38/978252838.db2.gz UTJHEULPXFJGFE-ZDUSSCGKSA-N -1 0 317.429 3.732 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592478897 978255258 /nfs/dbraw/zinc/25/52/58/978255258.db2.gz WYYASXYQLPBVGP-VIFPVBQESA-N -1 0 312.797 3.834 20 0 DHADRM Fc1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)cc1F ZINC000520756339 1014480642 /nfs/dbraw/zinc/48/06/42/1014480642.db2.gz HUJYHEUVNZFBFY-UHFFFAOYSA-N -1 0 321.714 3.702 20 0 DHADRM Cc1cccc(C2(C(=O)NCCCCCCC(=O)[O-])CCC2)c1 ZINC000320116167 1014490273 /nfs/dbraw/zinc/49/02/73/1014490273.db2.gz CVGRAKCGSSWQFC-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM COc1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000738102283 978477519 /nfs/dbraw/zinc/47/75/19/978477519.db2.gz IESOFJBGNVGCKV-UHFFFAOYSA-N -1 0 315.350 3.827 20 0 DHADRM Cc1cc(NC(=S)N[C@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000738452151 978540255 /nfs/dbraw/zinc/54/02/55/978540255.db2.gz JSRMIBDGSZHHHL-WPRPVWTQSA-N -1 0 312.460 3.620 20 0 DHADRM Cc1cccc(OC(F)F)c1NCc1cccc(C(=O)[O-])c1 ZINC000738734573 978598251 /nfs/dbraw/zinc/59/82/51/978598251.db2.gz LANFEUNTMUEHCF-UHFFFAOYSA-N -1 0 307.296 3.907 20 0 DHADRM COc1cc(-c2ccc(CC(C)(C)C(=O)[O-])cc2C)sn1 ZINC000581022972 1014517484 /nfs/dbraw/zinc/51/74/84/1014517484.db2.gz PUWYFSKVUOZIRW-UHFFFAOYSA-N -1 0 305.399 3.780 20 0 DHADRM Cc1sc(/C=C/c2ccc(OCC(=O)[O-])cc2)cc1C=O ZINC000760262662 978705494 /nfs/dbraw/zinc/70/54/94/978705494.db2.gz CXUXVGJZTYMQQX-QPJJXVBHSA-N -1 0 302.351 3.503 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000761653243 978713659 /nfs/dbraw/zinc/71/36/59/978713659.db2.gz WLBRHSYPZZLOKU-RURPWVQCSA-N -1 0 317.429 3.973 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C\c1cccc(Cl)c1 ZINC000761910829 978715839 /nfs/dbraw/zinc/71/58/39/978715839.db2.gz QMMOKMDPEFUVPA-XFXZXTDPSA-N -1 0 323.820 3.893 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccc(Cl)cc1 ZINC000761909241 978715854 /nfs/dbraw/zinc/71/58/54/978715854.db2.gz DJJXJPXGINFMTO-ZRDIBKRKSA-N -1 0 323.820 3.893 20 0 DHADRM CCCC[C@@H](NC(=O)/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC000761998432 978717508 /nfs/dbraw/zinc/71/75/08/978717508.db2.gz PZFFBOLBMIGCLC-IWMPZKFUSA-N -1 0 309.793 3.503 20 0 DHADRM CCCC[C@@H](NC(=O)/C(C)=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000761997995 978717541 /nfs/dbraw/zinc/71/75/41/978717541.db2.gz FEODVYKAEKWUIM-RBJHHQRMSA-N -1 0 309.793 3.503 20 0 DHADRM O=C([O-])c1csc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000762121503 978717611 /nfs/dbraw/zinc/71/76/11/978717611.db2.gz RGSUSCWVNOEUGC-UTCJRWHESA-N -1 0 307.758 3.752 20 0 DHADRM C[C@]1(NC(=O)/C=C\c2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000762219703 978718375 /nfs/dbraw/zinc/71/83/75/978718375.db2.gz BNMDSBAOXVIECC-PTRZUZADSA-N -1 0 321.804 3.503 20 0 DHADRM CC/C(=C\C(=O)NCCCCCCC(=O)[O-])c1ccc(C)cc1 ZINC000767118028 978735244 /nfs/dbraw/zinc/73/52/44/978735244.db2.gz JJJDFOZVWHEWJQ-JQIJEIRASA-N -1 0 317.429 3.940 20 0 DHADRM Cc1ccc([C@H](CNC(=O)CCCCCC(C)C)C(=O)[O-])cc1 ZINC000767169487 978735872 /nfs/dbraw/zinc/73/58/72/978735872.db2.gz CEAMAYBQZKADGB-KRWDZBQOSA-N -1 0 319.445 3.886 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000767154868 978736022 /nfs/dbraw/zinc/73/60/22/978736022.db2.gz IFOFOPOXQHAYRF-ZHACJKMWSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000777363948 978776306 /nfs/dbraw/zinc/77/63/06/978776306.db2.gz PNZQJXAMVZOWOX-LBPRGKRZSA-N -1 0 317.410 3.565 20 0 DHADRM C/C(=C/C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000777382257 978779379 /nfs/dbraw/zinc/77/93/79/978779379.db2.gz KGFXEQMHOUEFTC-QINSGFPZSA-N -1 0 315.413 3.631 20 0 DHADRM COCc1cc(NC(=O)C=C2CCC(C)CC2)cc(C(=O)[O-])c1 ZINC000794005516 978812109 /nfs/dbraw/zinc/81/21/09/978812109.db2.gz QHOJOAWFFXFLSJ-UHFFFAOYSA-N -1 0 317.385 3.606 20 0 DHADRM CC(C)CCCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000799246879 978838706 /nfs/dbraw/zinc/83/87/06/978838706.db2.gz BOHDTFUZRAQYGH-HNNXBMFYSA-N -1 0 303.402 3.808 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820147 978864996 /nfs/dbraw/zinc/86/49/96/978864996.db2.gz PIBHNOFPMMCLMK-MNOVXSKESA-N -1 0 309.793 3.594 20 0 DHADRM CCC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCCC1 ZINC000811821668 978865879 /nfs/dbraw/zinc/86/58/79/978865879.db2.gz MJMZQQYYBIAFGA-UHFFFAOYSA-N -1 0 309.793 3.738 20 0 DHADRM C[C@H](CCC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000828061755 978968463 /nfs/dbraw/zinc/96/84/63/978968463.db2.gz KHUUDMZSFXTNBK-CQSZACIVSA-N -1 0 323.392 3.858 20 0 DHADRM CN(Cc1ccoc1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830864820 979022838 /nfs/dbraw/zinc/02/28/38/979022838.db2.gz CWRNHSSLIOTVQJ-ZDUSSCGKSA-N -1 0 314.168 3.844 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)s1 ZINC000833096862 979080839 /nfs/dbraw/zinc/08/08/39/979080839.db2.gz VKLREYFWYKDVTO-OWOJBTEDSA-N -1 0 305.330 3.627 20 0 DHADRM O=C([O-])[C@H](Nc1ccc(Oc2ccccn2)cc1)c1cccnc1 ZINC000833170227 979105076 /nfs/dbraw/zinc/10/50/76/979105076.db2.gz OJJFSGLXCQHCGQ-QGZVFWFLSA-N -1 0 321.336 3.507 20 0 DHADRM C[C@H](CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)(C)C ZINC001592682703 979105937 /nfs/dbraw/zinc/10/59/37/979105937.db2.gz 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979243435 /nfs/dbraw/zinc/24/34/35/979243435.db2.gz NNARGTCKFFSMOK-MRVPVSSYSA-N -1 0 304.312 3.893 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1cccc(Cl)c1 ZINC001595045144 979251117 /nfs/dbraw/zinc/25/11/17/979251117.db2.gz DVJXCXYFZCWQJZ-UHFFFAOYSA-N -1 0 300.807 3.892 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1ccc(Cl)cc1 ZINC001595045405 979252996 /nfs/dbraw/zinc/25/29/96/979252996.db2.gz MQBXNOORRQLTAX-UHFFFAOYSA-N -1 0 300.807 3.892 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C(C)(C)C)s1 ZINC001595053760 979289770 /nfs/dbraw/zinc/28/97/70/979289770.db2.gz WZFUTGVPTLCXKN-UHFFFAOYSA-N -1 0 311.447 3.809 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC000841484720 979299927 /nfs/dbraw/zinc/29/99/27/979299927.db2.gz ASKYXLPPZYSZEC-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM CC/C=C(/C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502101 979304235 /nfs/dbraw/zinc/30/42/35/979304235.db2.gz VSRXTQNGGDOPGJ-QPEQYQDCSA-N -1 0 316.401 3.670 20 0 DHADRM CCC(CC)(CCOC(=O)c1nccc2ccccc21)C(=O)[O-] ZINC001595059559 979307681 /nfs/dbraw/zinc/30/76/81/979307681.db2.gz FWVPKMCSMGKNSW-UHFFFAOYSA-N -1 0 315.369 3.673 20 0 DHADRM O=C([O-])c1cccc2c1CN(C(=O)C1CCCCCCC1)CC2 ZINC000844156844 979346030 /nfs/dbraw/zinc/34/60/30/979346030.db2.gz FHVBDPSSVDHWGJ-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CCCC(=O)[O-])c1ccc(F)cc1 ZINC000844245649 979390579 /nfs/dbraw/zinc/39/05/79/979390579.db2.gz PBIYCYSAJKRJQH-CQSZACIVSA-N -1 0 309.381 3.674 20 0 DHADRM CC(C)c1ccc([C@@H](NC(=O)CCCC(=O)[O-])C(C)C)cc1 ZINC000844245033 979390790 /nfs/dbraw/zinc/39/07/90/979390790.db2.gz GDKOLAQIEYINCC-SFHVURJKSA-N -1 0 305.418 3.878 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)CCCC(=O)[O-])C(C)C ZINC000844246827 979391769 /nfs/dbraw/zinc/39/17/69/979391769.db2.gz WNYIAMBBKPIYLS-KRWDZBQOSA-N -1 0 317.385 3.809 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595105238 979420541 /nfs/dbraw/zinc/42/05/41/979420541.db2.gz GLKOJVKWEIBCLO-LLVKDONJSA-N -1 0 314.385 3.944 20 0 DHADRM CCC(CC)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595106066 979428542 /nfs/dbraw/zinc/42/85/42/979428542.db2.gz XMZQNLUVTZRIHO-UHFFFAOYSA-N -1 0 314.179 3.522 20 0 DHADRM CCC(CC)N(C(=O)CCSCC(=O)[O-])c1cccc(C)c1 ZINC001595116430 979475042 /nfs/dbraw/zinc/47/50/42/979475042.db2.gz SZOQMNNVAMPTFX-UHFFFAOYSA-N -1 0 323.458 3.725 20 0 DHADRM O=C([O-])COc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC001595119381 979483218 /nfs/dbraw/zinc/48/32/18/979483218.db2.gz TWALPKCLGJYTKY-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM CCC(CC)SCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595121825 979497185 /nfs/dbraw/zinc/49/71/85/979497185.db2.gz WWASZYUTQDOJPZ-UHFFFAOYSA-N -1 0 315.460 3.923 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595125755 979510587 /nfs/dbraw/zinc/51/05/87/979510587.db2.gz ICTPXYUKRUYFMN-CYBMUJFWSA-N -1 0 319.401 3.938 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595125947 979513062 /nfs/dbraw/zinc/51/30/62/979513062.db2.gz QEPSOWRGJYXZIV-VNQPRFMTSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001595126162 979515209 /nfs/dbraw/zinc/51/52/09/979515209.db2.gz RGNNIRBZEILLLN-ZFWWWQNUSA-N -1 0 323.458 3.987 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000851603482 979526419 /nfs/dbraw/zinc/52/64/19/979526419.db2.gz RTRBUWFXGITFOE-PXAZEXFGSA-N -1 0 309.381 3.807 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 ZINC000851606418 979531006 /nfs/dbraw/zinc/53/10/06/979531006.db2.gz OWIBMZFADFJKSV-UGFHNGPFSA-N -1 0 323.820 3.545 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000851608313 979534651 /nfs/dbraw/zinc/53/46/51/979534651.db2.gz GBICCAOTVBZTGS-LBPRGKRZSA-N -1 0 323.389 3.612 20 0 DHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1ccsc1C(=O)[O-] ZINC001595129765 979537853 /nfs/dbraw/zinc/53/78/53/979537853.db2.gz QSRBCILJSXVOIF-ZDUSSCGKSA-N -1 0 317.410 3.588 20 0 DHADRM CC1(C)CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC(C)(C)C1 ZINC000851618059 979542826 /nfs/dbraw/zinc/54/28/26/979542826.db2.gz HQWKRBOGQIHUIN-SOFGYWHQSA-N -1 0 319.401 3.666 20 0 DHADRM C[C@H](Cc1ccc(F)cc1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592854688 979655497 /nfs/dbraw/zinc/65/54/97/979655497.db2.gz VOLDFQDMXLSJAI-SECBINFHSA-N -1 0 316.288 3.513 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc(C2CCCCC2)c1)C(=O)[O-] ZINC001595153752 979655712 /nfs/dbraw/zinc/65/57/12/979655712.db2.gz GOFCDTMDNRDDJA-CYBMUJFWSA-N -1 0 318.417 3.967 20 0 DHADRM Cc1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000864105858 979693135 /nfs/dbraw/zinc/69/31/35/979693135.db2.gz BOHUMZMZMXMORC-LBPRGKRZSA-N -1 0 313.353 3.652 20 0 DHADRM CSCCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000864116451 979709002 /nfs/dbraw/zinc/70/90/02/979709002.db2.gz FUNWCRNOYFLMGJ-INIZCTEOSA-N -1 0 323.458 3.584 20 0 DHADRM CCOCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000864121095 979717141 /nfs/dbraw/zinc/71/71/41/979717141.db2.gz HOPIQYUMTLGSBU-UHFFFAOYSA-N -1 0 313.781 3.574 20 0 DHADRM C[C@H](Cc1cccc(F)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592885780 979771691 /nfs/dbraw/zinc/77/16/91/979771691.db2.gz SAQRGEAXXZAHCA-SECBINFHSA-N -1 0 316.288 3.513 20 0 DHADRM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001592900159 979819631 /nfs/dbraw/zinc/81/96/31/979819631.db2.gz QDQGACUQIWRYHT-SECBINFHSA-N -1 0 324.427 3.603 20 0 DHADRM C[C@@H](Cc1ccsc1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC001592906990 979851426 /nfs/dbraw/zinc/85/14/26/979851426.db2.gz SHQIWJHPNPUXFZ-VIFPVBQESA-N -1 0 310.806 3.562 20 0 DHADRM CCC[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)C(C)C ZINC000864226555 979912879 /nfs/dbraw/zinc/91/28/79/979912879.db2.gz JUQMZVOTLJVBBF-KBPBESRZSA-N -1 0 303.402 3.664 20 0 DHADRM CC[C@H](COc1cc(/C=C/C(=O)[O-])ccc1OC)CC(F)F ZINC001595199091 979934638 /nfs/dbraw/zinc/93/46/38/979934638.db2.gz XRWZFQGRRIBHJZ-ZRQQLDRUSA-N -1 0 314.328 3.853 20 0 DHADRM CC(C)(C)Oc1cccc(CN[C@H](C(=O)[O-])c2cccs2)c1 ZINC000864506330 979938411 /nfs/dbraw/zinc/93/84/11/979938411.db2.gz NAQYMTJTNNNZIW-HNNXBMFYSA-N -1 0 319.426 3.841 20 0 DHADRM CC[C@H](Cc1cc(-c2ccccc2OC(F)F)no1)C(=O)[O-] ZINC001595205633 979980958 /nfs/dbraw/zinc/98/09/58/979980958.db2.gz WVEMFCXUHAVSJE-SECBINFHSA-N -1 0 311.284 3.596 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595211177 979988852 /nfs/dbraw/zinc/98/88/52/979988852.db2.gz QVBFTPPULUJJNK-HNNXBMFYSA-N -1 0 311.381 3.901 20 0 DHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595219986 980044365 /nfs/dbraw/zinc/04/43/65/980044365.db2.gz VDBUPKJYXPVKLD-ZDUSSCGKSA-N -1 0 314.385 3.537 20 0 DHADRM CCCOc1ccc(NC(=O)NCCCC(=O)[O-])cc1C(C)C ZINC000887394665 980221909 /nfs/dbraw/zinc/22/19/09/980221909.db2.gz YKTTWHLKGFVGJJ-UHFFFAOYSA-N -1 0 322.405 3.585 20 0 DHADRM CCC(NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)(C1CC1)C1CC1 ZINC001595257259 980243980 /nfs/dbraw/zinc/24/39/80/980243980.db2.gz PPRLXFLOOVMCJN-UHFFFAOYSA-N -1 0 316.401 3.784 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC001595258403 980254837 /nfs/dbraw/zinc/25/48/37/980254837.db2.gz OBVMYGVVAVEZTN-GFCCVEGCSA-N -1 0 318.398 3.910 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc([C@H]3CCC(=O)N3)cc2)s1 ZINC000901088094 980259588 /nfs/dbraw/zinc/25/95/88/980259588.db2.gz ZGKROEQQZXAKPD-ZWNOBZJWSA-N -1 0 315.394 3.554 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cc(C)ccc1C ZINC001595258993 980260519 /nfs/dbraw/zinc/26/05/19/980260519.db2.gz IQLBFXWUDVSWAN-UXLLHSPISA-N -1 0 317.429 3.762 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(-c2cnco2)cc1 ZINC000901415658 980262283 /nfs/dbraw/zinc/26/22/83/980262283.db2.gz OMRSZPLSSWFUGT-UXIGCNINSA-N -1 0 300.358 3.643 20 0 DHADRM CC[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1CC1 ZINC001595272147 980290499 /nfs/dbraw/zinc/29/04/99/980290499.db2.gz IUVBGAWDQWQCOX-GOSISDBHSA-N -1 0 323.392 3.970 20 0 DHADRM CC[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595282696 980344477 /nfs/dbraw/zinc/34/44/77/980344477.db2.gz XQYJXMDQNQQGEE-JSGCOSHPSA-N -1 0 302.374 3.792 20 0 DHADRM CCOc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cc1F ZINC000901638816 980420034 /nfs/dbraw/zinc/42/00/34/980420034.db2.gz FJAGILQCAUKPQT-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC000901661976 980432408 /nfs/dbraw/zinc/43/24/08/980432408.db2.gz LSGFFQPSUZSTBS-TUKIKUTGSA-N -1 0 301.411 3.979 20 0 DHADRM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])cc2F)o1 ZINC000901756643 980487919 /nfs/dbraw/zinc/48/79/19/980487919.db2.gz YJZAOOKCUOPAEK-HZMBPMFUSA-N -1 0 303.333 3.530 20 0 DHADRM CC[C@H](Nc1ccc(C(=O)[O-])nn1)c1cccc2ccccc21 ZINC001595317066 980488710 /nfs/dbraw/zinc/48/87/10/980488710.db2.gz MFJQSLNKZJPFGI-HNNXBMFYSA-N -1 0 307.353 3.891 20 0 DHADRM CC[C@@H](Nc1cccc2cc(C(=O)[O-])sc21)[C@@H]1CCOC1 ZINC001595317806 980496872 /nfs/dbraw/zinc/49/68/72/980496872.db2.gz AWKBCNAJXIVFKZ-VXGBXAGGSA-N -1 0 305.399 3.827 20 0 DHADRM COc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1OC ZINC000901817392 980537710 /nfs/dbraw/zinc/53/77/10/980537710.db2.gz QMJOUDMTCYBBBU-LBPRGKRZSA-N -1 0 315.369 3.504 20 0 DHADRM Cc1ccc([C@H](NCc2cnc(C(C)C)s2)C(=O)[O-])cc1C ZINC000901845137 980567455 /nfs/dbraw/zinc/56/74/55/980567455.db2.gz PQIAAVXZSWQTRK-HNNXBMFYSA-N -1 0 318.442 3.799 20 0 DHADRM CC[C@H](OC(=O)C1(C(F)(F)F)CCCCC1)[C@H](C)C(=O)[O-] ZINC001595334994 980586328 /nfs/dbraw/zinc/58/63/28/980586328.db2.gz HJKNUYRMNOGFLX-UWVGGRQHSA-N -1 0 310.312 3.542 20 0 DHADRM CC[C@H](OC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595336129 980591846 /nfs/dbraw/zinc/59/18/46/980591846.db2.gz HAIPEWKQPRIJQP-BCPZQOPPSA-N -1 0 316.275 3.515 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000901944374 980643441 /nfs/dbraw/zinc/64/34/41/980643441.db2.gz JGNZUFKGGORLMM-TWMKSMIVSA-N -1 0 317.429 3.880 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001595348763 980648735 /nfs/dbraw/zinc/64/87/35/980648735.db2.gz ZJRDRDMQDAXXAJ-DZKIICNBSA-N -1 0 320.385 3.581 20 0 DHADRM O=C([O-])/C=C\c1ccc(CNc2ccccc2N2CCCC2)o1 ZINC000902065258 980718286 /nfs/dbraw/zinc/71/82/86/980718286.db2.gz KIRUCYQLPMIYLN-KTKRTIGZSA-N -1 0 312.369 3.590 20 0 DHADRM CCc1oc(CNc2ccccc2N2CCCC2)cc1C(=O)[O-] ZINC000902067801 980718961 /nfs/dbraw/zinc/71/89/61/980718961.db2.gz YIHOMTUHPAIFAN-UHFFFAOYSA-N -1 0 314.385 3.753 20 0 DHADRM CC[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001595358122 980729250 /nfs/dbraw/zinc/72/92/50/980729250.db2.gz AZGXUJGTSPSAQE-ZDUSSCGKSA-N -1 0 310.415 3.738 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595359110 980738450 /nfs/dbraw/zinc/73/84/50/980738450.db2.gz XOZQDZSUWMVEQT-KGLIPLIRSA-N -1 0 323.458 3.563 20 0 DHADRM Cc1cc(CN[C@H](C)c2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000902118225 980743583 /nfs/dbraw/zinc/74/35/83/980743583.db2.gz VEOUXLQOXUJGEQ-CYBMUJFWSA-N -1 0 317.385 3.924 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccsc1C ZINC001595361104 980758668 /nfs/dbraw/zinc/75/86/68/980758668.db2.gz RXGLNHCCFLBCGH-OAHLLOKOSA-N -1 0 317.410 3.735 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC12CCCC2 ZINC001595361604 980763663 /nfs/dbraw/zinc/76/36/63/980763663.db2.gz KFXPSXDYDCTNFW-HOTGVXAUSA-N -1 0 315.413 3.631 20 0 DHADRM CCc1oc(CNC(C)(C)c2ccccc2OC)cc1C(=O)[O-] ZINC000902223944 980789597 /nfs/dbraw/zinc/78/95/97/980789597.db2.gz XRAQCJPJHBEPSY-UHFFFAOYSA-N -1 0 317.385 3.574 20 0 DHADRM CC[C@H](c1ccccc1)[S@@](=O)Cc1ccccc1C(=O)[O-] ZINC001595364709 980796773 /nfs/dbraw/zinc/79/67/73/980796773.db2.gz WJJDNIMQRPEBDO-IERDGZPVSA-N -1 0 302.395 3.785 20 0 DHADRM CCc1oc(CN[C@@](C)(CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902294296 980820989 /nfs/dbraw/zinc/82/09/89/980820989.db2.gz XGNKNOSMXLMOON-INIZCTEOSA-N -1 0 322.430 3.720 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000902294396 980821429 /nfs/dbraw/zinc/82/14/29/980821429.db2.gz FHYBZRPAOJAROZ-BBRMVZONSA-N -1 0 321.417 3.546 20 0 DHADRM CCc1oc(CN[C@H](c2nc(C)cs2)C2CC2)cc1C(=O)[O-] ZINC000902316001 980829840 /nfs/dbraw/zinc/82/98/40/980829840.db2.gz QGLGFSRJKOYIFQ-AWEZNQCLSA-N -1 0 320.414 3.546 20 0 DHADRM CCc1oc(CN[C@@H](c2nc(C)cs2)C2CC2)cc1C(=O)[O-] ZINC000902316002 980829937 /nfs/dbraw/zinc/82/99/37/980829937.db2.gz QGLGFSRJKOYIFQ-CQSZACIVSA-N -1 0 320.414 3.546 20 0 DHADRM Cc1cc(CNCc2cc(C3CC3)ccc2F)oc1C(=O)[O-] ZINC000902351904 980846169 /nfs/dbraw/zinc/84/61/69/980846169.db2.gz VXGRPNFNHWYJTB-UHFFFAOYSA-N -1 0 303.333 3.593 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN[C@H](CC(C)(C)C)C(F)(F)F ZINC000902431026 980883526 /nfs/dbraw/zinc/88/35/26/980883526.db2.gz GYKWVSUJXOMWKW-LLVKDONJSA-N -1 0 307.312 3.743 20 0 DHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595374449 980883837 /nfs/dbraw/zinc/88/38/37/980883837.db2.gz YVIUCFGMDBCISE-JKSUJKDBSA-N -1 0 321.417 3.537 20 0 DHADRM CCC1(CC)CCCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC001595374831 980889012 /nfs/dbraw/zinc/88/90/12/980889012.db2.gz XPMKTZBSLAYTPR-UHFFFAOYSA-N -1 0 312.454 3.633 20 0 DHADRM CC1(C)C[C@@H](NCc2ccc(C(=O)[O-])o2)c2cc(F)ccc2O1 ZINC000902471177 980902153 /nfs/dbraw/zinc/90/21/53/980902153.db2.gz ZEXIAKURMJOYMT-CYBMUJFWSA-N -1 0 319.332 3.509 20 0 DHADRM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000902516785 980916288 /nfs/dbraw/zinc/91/62/88/980916288.db2.gz LFOMWZVBGYQCTB-SKVAFPRGSA-N -1 0 320.414 3.644 20 0 DHADRM CCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001595378955 980916627 /nfs/dbraw/zinc/91/66/27/980916627.db2.gz RBMKGXZRAVRETD-UHFFFAOYSA-N -1 0 304.390 3.867 20 0 DHADRM CC[C@@H]1C[C@H](CNc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC001595414060 981019634 /nfs/dbraw/zinc/01/96/34/981019634.db2.gz XMQWYMBHHKCSKX-DGCLKSJQSA-N -1 0 309.431 3.724 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595434922 981060694 /nfs/dbraw/zinc/06/06/94/981060694.db2.gz CKLBCSLIBYMQOE-KDOFPFPSSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595435686 981065581 /nfs/dbraw/zinc/06/55/81/981065581.db2.gz LTBLENDZCHLCLO-PSASIEDQSA-N -1 0 313.756 3.942 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595436110 981067923 /nfs/dbraw/zinc/06/79/23/981067923.db2.gz PAVHGJGNFFGKMO-DZGCQCFKSA-N -1 0 315.413 3.799 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595438852 981072975 /nfs/dbraw/zinc/07/29/75/981072975.db2.gz ACPUEPWIMQWKHR-NXEZZACHSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595439120 981074155 /nfs/dbraw/zinc/07/41/55/981074155.db2.gz BZWAAEMREAZIIU-KGLIPLIRSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595439118 981074376 /nfs/dbraw/zinc/07/43/76/981074376.db2.gz BZWAAEMREAZIIU-KBPBESRZSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595439254 981074388 /nfs/dbraw/zinc/07/43/88/981074388.db2.gz CUMPTEANPRJYTG-BBRMVZONSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595441605 981080569 /nfs/dbraw/zinc/08/05/69/981080569.db2.gz SGITWOVXQMMWFD-OCCSQVGLSA-N -1 0 318.417 3.606 20 0 DHADRM CC[C@H]1CCCC[C@@H]1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595443858 981083961 /nfs/dbraw/zinc/08/39/61/981083961.db2.gz CUPRQLKDAYSGLO-GJZGRUSLSA-N -1 0 324.465 3.680 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595443859 981084038 /nfs/dbraw/zinc/08/40/38/981084038.db2.gz CUPRQLKDAYSGLO-HUUCEWRRSA-N -1 0 324.465 3.680 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595445400 981092579 /nfs/dbraw/zinc/09/25/79/981092579.db2.gz ZJYUHXIJOBBFNS-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595445315 981092756 /nfs/dbraw/zinc/09/27/56/981092756.db2.gz YIVBEAOIYFWNDC-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595451259 981107285 /nfs/dbraw/zinc/10/72/85/981107285.db2.gz MRXHFHKNPIIUBM-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@H]1CC2(CC(Nc3cc4ccccc4c(C(=O)[O-])c3)C2)CO1 ZINC000905714979 981120555 /nfs/dbraw/zinc/12/05/55/981120555.db2.gz UBOUDOFMXNTZJA-UUZUZFRQSA-N -1 0 311.381 3.908 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000905714281 981120895 /nfs/dbraw/zinc/12/08/95/981120895.db2.gz SUFYKFLBXDPJBM-GRDNDAEWSA-N -1 0 317.429 3.666 20 0 DHADRM CCc1oc(CN[C@@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000905726378 981124783 /nfs/dbraw/zinc/12/47/83/981124783.db2.gz BNJNVXHROCNNED-VIFPVBQESA-N -1 0 309.312 3.669 20 0 DHADRM CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC001595459938 981141278 /nfs/dbraw/zinc/14/12/78/981141278.db2.gz PEXHZSOEBBTABZ-UWVGGRQHSA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907626916 981201375 /nfs/dbraw/zinc/20/13/75/981201375.db2.gz FLJXJPJKDJSXSE-CYBMUJFWSA-N -1 0 317.385 3.504 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2ccccc2C2CCC2)c1 ZINC000907632647 981202543 /nfs/dbraw/zinc/20/25/43/981202543.db2.gz FFBURVJVHLGURT-UHFFFAOYSA-N -1 0 301.367 3.966 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000907741034 981213603 /nfs/dbraw/zinc/21/36/03/981213603.db2.gz JACWRGRJHFPEHM-ZZTPXLKCSA-N -1 0 313.397 3.640 20 0 DHADRM CCc1cc2c(COC(=O)C(CC)CC)cc(=O)oc2cc1O ZINC000728326544 1014719837 /nfs/dbraw/zinc/71/98/37/1014719837.db2.gz APPACCRXSXQFKR-UHFFFAOYSA-N -1 0 318.369 3.540 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595504562 981278673 /nfs/dbraw/zinc/27/86/73/981278673.db2.gz MGUWALDWUSQRJY-ZDUSSCGKSA-N -1 0 316.382 3.945 20 0 DHADRM CC/C=C(\C)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001595507926 981294224 /nfs/dbraw/zinc/29/42/24/981294224.db2.gz PHZQYUWHGLPFEA-VMPITWQZSA-N -1 0 304.371 3.598 20 0 DHADRM CC/C=C(\F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595507949 981294908 /nfs/dbraw/zinc/29/49/08/981294908.db2.gz PPSRAFTYQXPGBO-XXUROBRHSA-N -1 0 321.392 3.880 20 0 DHADRM CC(C)(CC(=O)NCCCCC1(C(=O)[O-])CCC1)CC(F)F ZINC000908332147 981299612 /nfs/dbraw/zinc/29/96/12/981299612.db2.gz CMIQTVAFDDISIN-UHFFFAOYSA-N -1 0 319.392 3.599 20 0 DHADRM COc1c(NC(=O)CCC2CCCCC2)cccc1C(=O)[O-] ZINC000908507722 981319984 /nfs/dbraw/zinc/31/99/84/981319984.db2.gz MEFRQMAIKOBZAV-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM Cc1cc2[n-]c(Cc3nc(C(C)C)cs3)nc(=O)c2s1 ZINC000656491818 1014725406 /nfs/dbraw/zinc/72/54/06/1014725406.db2.gz QMIWQOFOWHLJDP-UHFFFAOYSA-N -1 0 305.428 3.876 20 0 DHADRM CCN(Cc1cccs1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908726425 981348340 /nfs/dbraw/zinc/34/83/40/981348340.db2.gz QTGUHNOJBMVTCN-UHFFFAOYSA-N -1 0 321.442 3.522 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908758209 981354648 /nfs/dbraw/zinc/35/46/48/981354648.db2.gz HNOOUPKUCAKUOG-UHFFFAOYSA-N -1 0 315.413 3.808 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000908802853 981365997 /nfs/dbraw/zinc/36/59/97/981365997.db2.gz JSQFEYLKOIZQLV-RRFJBIMHSA-N -1 0 319.401 3.614 20 0 DHADRM CCC[C@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001595533545 981376763 /nfs/dbraw/zinc/37/67/63/981376763.db2.gz ZTYWDTCNHGBRQG-HNNXBMFYSA-N -1 0 323.392 3.858 20 0 DHADRM CCC[C@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595536316 981382369 /nfs/dbraw/zinc/38/23/69/981382369.db2.gz WOEDLHRVPUNGBJ-QFBILLFUSA-N -1 0 319.445 3.608 20 0 DHADRM CC(C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)=C1CCC1 ZINC000908900430 981385683 /nfs/dbraw/zinc/38/56/83/981385683.db2.gz AFCYAQNVRIHURM-UHFFFAOYSA-N -1 0 303.358 3.611 20 0 DHADRM CCC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)C(C)C ZINC001595539112 981397001 /nfs/dbraw/zinc/39/70/01/981397001.db2.gz XZCJVOHDFOTVHF-JTQLQIEISA-N -1 0 312.435 3.976 20 0 DHADRM CC[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)C1CCC(C)CC1 ZINC000909156089 981428195 /nfs/dbraw/zinc/42/81/95/981428195.db2.gz FBHZVSWLJCRTOS-QIWHZVNUSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)NCCCCC(=O)[O-] ZINC000909185696 981433233 /nfs/dbraw/zinc/43/32/33/981433233.db2.gz OPEXCTFBYQYMLH-UHFFFAOYSA-N -1 0 311.381 3.647 20 0 DHADRM CC1(C)CC(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000909230542 981438555 /nfs/dbraw/zinc/43/85/55/981438555.db2.gz SRVXSBACCSTKLK-UHFFFAOYSA-N -1 0 321.442 3.769 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2coc(C3CCC3)n2)c1 ZINC000909271768 981455804 /nfs/dbraw/zinc/45/58/04/981455804.db2.gz JYZBKKWOLLUADE-UHFFFAOYSA-N -1 0 320.732 3.546 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1 ZINC000909288011 981460248 /nfs/dbraw/zinc/46/02/48/981460248.db2.gz NJSPYFARBQUDNW-GOSISDBHSA-N -1 0 301.386 3.734 20 0 DHADRM Cc1ccc(NC(=O)c2scnc2C(C)C)cc1C(=O)[O-] ZINC000909294731 981462346 /nfs/dbraw/zinc/46/23/46/981462346.db2.gz MYWDPBVNHQHQDB-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCCCCC[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909393083 981483353 /nfs/dbraw/zinc/48/33/53/981483353.db2.gz NVGDPQZXLJAFCO-NNGSBXSVSA-N -1 0 309.450 3.887 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001595579222 981506407 /nfs/dbraw/zinc/50/64/07/981506407.db2.gz NBQJSEIIDZNXRS-LTIDMASMSA-N -1 0 323.477 3.941 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595586000 981528564 /nfs/dbraw/zinc/52/85/64/981528564.db2.gz LGBNVXXHLPUWOV-LBPRGKRZSA-N -1 0 309.381 3.603 20 0 DHADRM CCC[C@@H](CC)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595586185 981529960 /nfs/dbraw/zinc/52/99/60/981529960.db2.gz RHNLJYDAIMTPFK-CYBMUJFWSA-N -1 0 303.402 3.799 20 0 DHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](C)CC(=O)[O-] ZINC001595593793 981558881 /nfs/dbraw/zinc/55/88/81/981558881.db2.gz HATIRWGGHFCSMA-DOTOQJQBSA-N -1 0 319.445 3.747 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)(C)C ZINC001595600060 981576278 /nfs/dbraw/zinc/57/62/78/981576278.db2.gz JNWMIEWCJRRHRY-CQSZACIVSA-N -1 0 306.406 3.650 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595600953 981585205 /nfs/dbraw/zinc/58/52/05/981585205.db2.gz ZNFWRIPRYSMHQM-CQSZACIVSA-N -1 0 322.405 3.730 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@]1(CC)CCc1ccccc1 ZINC001594742401 981617069 /nfs/dbraw/zinc/61/70/69/981617069.db2.gz BIINARXYKCKZKO-QFBILLFUSA-N -1 0 317.429 3.501 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001594742496 981618043 /nfs/dbraw/zinc/61/80/43/981618043.db2.gz CVCMQYKFPLJCTH-CPQFKCLQSA-N -1 0 315.413 3.582 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001594743485 981623997 /nfs/dbraw/zinc/62/39/97/981623997.db2.gz SOXGGTQAEILHSD-IAGOWNOFSA-N -1 0 317.429 3.974 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595617126 981649622 /nfs/dbraw/zinc/64/96/22/981649622.db2.gz DZKORPXKPCKEGD-UHFFFAOYSA-N -1 0 319.405 3.747 20 0 DHADRM CCCC1(CNC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001595617384 981653044 /nfs/dbraw/zinc/65/30/44/981653044.db2.gz YQDPMCQCVBGMQJ-CYBMUJFWSA-N -1 0 318.417 3.652 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000909838255 981659057 /nfs/dbraw/zinc/65/90/57/981659057.db2.gz ATVDQJOAUSTSFJ-SECBINFHSA-N -1 0 315.291 3.546 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595621465 981700305 /nfs/dbraw/zinc/70/03/05/981700305.db2.gz ISMAWSUNVCXMNN-CACDNMLQSA-N -1 0 319.401 3.714 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595621540 981701095 /nfs/dbraw/zinc/70/10/95/981701095.db2.gz KEYMHPSFSNUUSI-OLZOCXBDSA-N -1 0 319.405 3.508 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C(C)=C/C(C)(C)C)c1ccccc1 ZINC001594763997 981704067 /nfs/dbraw/zinc/70/40/67/981704067.db2.gz HTSJXGXRXAVKKT-LHNRBYRGSA-N -1 0 303.402 3.875 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622459 981710341 /nfs/dbraw/zinc/71/03/41/981710341.db2.gz TYRMIXJCJRCMHF-XJKSGUPXSA-N -1 0 319.401 3.686 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595622496 981711202 /nfs/dbraw/zinc/71/12/02/981711202.db2.gz ULPOJGKUHIVFDL-KOLCDFICSA-N -1 0 322.430 3.874 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001594767425 981725560 /nfs/dbraw/zinc/72/55/60/981725560.db2.gz GANOMXSJSXQXOG-KSZLIROESA-N -1 0 323.392 3.687 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccc1 ZINC001594767482 981725676 /nfs/dbraw/zinc/72/56/76/981725676.db2.gz GZJXRSHMAAVOFN-LJIGWXMPSA-N -1 0 317.429 3.955 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1 ZINC001594768371 981730191 /nfs/dbraw/zinc/73/01/91/981730191.db2.gz XCKLQNXGWDDUDB-OFQRWUPVSA-N -1 0 303.402 3.709 20 0 DHADRM CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001594773919 981749749 /nfs/dbraw/zinc/74/97/49/981749749.db2.gz DCTKIDJHQCTJIR-YUELXQCFSA-N -1 0 308.349 3.506 20 0 DHADRM CCCC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001595627719 981775967 /nfs/dbraw/zinc/77/59/67/981775967.db2.gz QGSBBTZETZRLOP-XKQJLSEDSA-N -1 0 317.429 3.878 20 0 DHADRM CCCC[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)C(C)C ZINC001595627800 981776541 /nfs/dbraw/zinc/77/65/41/981776541.db2.gz VCHSLEKDQCFPDV-HNNXBMFYSA-N -1 0 303.402 3.736 20 0 DHADRM CCCC[C@H](C(=O)N(CC)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595627807 981776800 /nfs/dbraw/zinc/77/68/00/981776800.db2.gz VFJFMQLXKOHFJA-NSHDSACASA-N -1 0 312.435 3.657 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233898 981797408 /nfs/dbraw/zinc/79/74/08/981797408.db2.gz QJXYVEPAAQRYQB-PBQZMEPESA-N -1 0 323.364 3.609 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233897 981797461 /nfs/dbraw/zinc/79/74/61/981797461.db2.gz QJXYVEPAAQRYQB-JUDLJHIGSA-N -1 0 323.364 3.609 20 0 DHADRM CCc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1C ZINC000910242270 981810397 /nfs/dbraw/zinc/81/03/97/981810397.db2.gz FRILWCRAYOOUMQ-UHFFFAOYSA-N -1 0 315.413 3.921 20 0 DHADRM CCCC[C@@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001595629982 981811034 /nfs/dbraw/zinc/81/10/34/981811034.db2.gz SNVDLNRDUULZBR-HNNXBMFYSA-N -1 0 320.820 3.754 20 0 DHADRM CCCC[C@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001595629983 981811238 /nfs/dbraw/zinc/81/12/38/981811238.db2.gz SNVDLNRDUULZBR-OAHLLOKOSA-N -1 0 320.820 3.754 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001595630285 981817553 /nfs/dbraw/zinc/81/75/53/981817553.db2.gz AEIYEFZTPDJCRX-CQSZACIVSA-N -1 0 302.729 3.862 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595630632 981824335 /nfs/dbraw/zinc/82/43/35/981824335.db2.gz MCJXJCKWVLYWGX-KRWDZBQOSA-N -1 0 318.348 3.790 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCC1CCCCC1 ZINC001594789500 981839218 /nfs/dbraw/zinc/83/92/18/981839218.db2.gz BDKLLBFBYGNWGP-KRWDZBQOSA-N -1 0 311.422 3.669 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001595631736 981844061 /nfs/dbraw/zinc/84/40/61/981844061.db2.gz AFZXRTJRFZQQEW-CQSZACIVSA-N -1 0 305.418 3.536 20 0 DHADRM CCCC[C@@H](CC)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595632031 981848694 /nfs/dbraw/zinc/84/86/94/981848694.db2.gz PFVOWUFTECYBST-SNVBAGLBSA-N -1 0 312.435 3.660 20 0 DHADRM CCCC[C@@H](CC)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595632088 981849337 /nfs/dbraw/zinc/84/93/37/981849337.db2.gz RICJALLNHVKQHI-CFRMROPGSA-N -1 0 320.385 3.915 20 0 DHADRM CC1(C)CC[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000910297283 981850909 /nfs/dbraw/zinc/85/09/09/981850909.db2.gz BIRZOZGRPUVNHO-AEGPPILISA-N -1 0 301.386 3.640 20 0 DHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000910299721 981854886 /nfs/dbraw/zinc/85/48/86/981854886.db2.gz AENKFWPTSCKVNB-NSHDSACASA-N -1 0 316.405 3.521 20 0 DHADRM CCCC[C@@H](CC)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC001595632888 981862001 /nfs/dbraw/zinc/86/20/01/981862001.db2.gz UXVOMFUIAUUBIK-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001594796678 981879535 /nfs/dbraw/zinc/87/95/35/981879535.db2.gz IAZFVCPBMUPSGA-RQMAVPSVSA-N -1 0 323.477 3.798 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594800885 981892056 /nfs/dbraw/zinc/89/20/56/981892056.db2.gz NPQDVIQQCNNWGT-UHFFFAOYSA-N -1 0 314.332 3.611 20 0 DHADRM CCC(C)(C)CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594807924 981913984 /nfs/dbraw/zinc/91/39/84/981913984.db2.gz BJNANAHOJRPZBD-OAHLLOKOSA-N -1 0 317.429 3.747 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC000910395274 981917131 /nfs/dbraw/zinc/91/71/31/981917131.db2.gz ZWXSFVGISGGIAU-ZDUSSCGKSA-N -1 0 303.383 3.773 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001594814835 981941049 /nfs/dbraw/zinc/94/10/49/981941049.db2.gz YPGOZAWDIWDKJZ-UHFFFAOYSA-N -1 0 314.385 3.663 20 0 DHADRM O=C([O-])c1ccc(CNc2nc(C3CCCC3)ns2)s1 ZINC000910459449 981943844 /nfs/dbraw/zinc/94/38/44/981943844.db2.gz LVTXQLKOLNUYQA-UHFFFAOYSA-N -1 0 309.416 3.568 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594816029 981948788 /nfs/dbraw/zinc/94/87/88/981948788.db2.gz ZTPUBZSVXLQUCU-CABCVRRESA-N -1 0 318.413 3.918 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594815993 981949030 /nfs/dbraw/zinc/94/90/30/981949030.db2.gz YFAZSRDIRKNTJZ-QWHCGFSZSA-N -1 0 303.402 3.814 20 0 DHADRM CCCC[C@H](N[C@@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638769 981950610 /nfs/dbraw/zinc/95/06/10/981950610.db2.gz DYXVPHFDZSRAFX-WMLDXEAASA-N -1 0 317.385 3.611 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001594821789 981972719 /nfs/dbraw/zinc/97/27/19/981972719.db2.gz KDSWDUWIIIUEJZ-CYBMUJFWSA-N -1 0 322.163 3.506 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1F ZINC001594822435 981974853 /nfs/dbraw/zinc/97/48/53/981974853.db2.gz YIVCLCAZBPFZAG-ZDUSSCGKSA-N -1 0 322.163 3.506 20 0 DHADRM CCCC[C@H](OC(=O)c1cc2ccccc2c(Cl)n1)C(=O)[O-] ZINC001595645492 981990082 /nfs/dbraw/zinc/99/00/82/981990082.db2.gz RITHSDDKQRAHDS-ZDUSSCGKSA-N -1 0 321.760 3.688 20 0 DHADRM CCCC[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001595646206 981998112 /nfs/dbraw/zinc/99/81/12/981998112.db2.gz ZVESQDXIPLHEAS-SNVBAGLBSA-N -1 0 305.157 3.794 20 0 DHADRM CCC(C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001594829293 982004580 /nfs/dbraw/zinc/00/45/80/982004580.db2.gz FHRLHFJPAGBGQJ-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM CCCC[C@H](OC(=O)CCc1cc(Cl)cs1)C(=O)[O-] ZINC001595650635 982010948 /nfs/dbraw/zinc/01/09/48/982010948.db2.gz KKFXUIKTSBCUGV-NSHDSACASA-N -1 0 304.795 3.521 20 0 DHADRM CCCC[C@H](S[C@@H](C)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC001595651507 982022172 /nfs/dbraw/zinc/02/21/72/982022172.db2.gz HAULEAZLLZHCAV-CABZTGNLSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] ZINC001595652104 982030716 /nfs/dbraw/zinc/03/07/16/982030716.db2.gz ZHTSJYFXXKSIKE-ZDUSSCGKSA-N -1 0 323.776 3.550 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccccc1CC)C(=O)[O-] ZINC001595652502 982034495 /nfs/dbraw/zinc/03/44/95/982034495.db2.gz UIWVEBNHKLWRCM-WFASDCNBSA-N -1 0 323.458 3.953 20 0 DHADRM CCCC[C@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001595652722 982036282 /nfs/dbraw/zinc/03/62/82/982036282.db2.gz WPOGAHKYHPCURL-ZDUSSCGKSA-N -1 0 309.362 3.523 20 0 DHADRM CC[C@@](C)(NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CC1 ZINC001594841406 982053339 /nfs/dbraw/zinc/05/33/39/982053339.db2.gz GHIQUHOOWXTUHH-MRXNPFEDSA-N -1 0 322.430 3.807 20 0 DHADRM CCCC[C@@H](S[C@@H]1COc2ccccc2[C@@H]1OC)C(=O)[O-] ZINC001595657031 982058759 /nfs/dbraw/zinc/05/87/59/982058759.db2.gz HBMKJIGZYDBRIB-KFWWJZLASA-N -1 0 310.415 3.512 20 0 DHADRM Cc1ccnc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C1CC1 ZINC000910683147 982059934 /nfs/dbraw/zinc/05/99/34/982059934.db2.gz PNUNDBTZGULKHK-UHFFFAOYSA-N -1 0 316.401 3.631 20 0 DHADRM CCCC[C@H](SCc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001595657265 982060903 /nfs/dbraw/zinc/06/09/03/982060903.db2.gz JOQUAWZWRSTLGX-LBPRGKRZSA-N -1 0 318.341 3.885 20 0 DHADRM Cc1cccc(-c2ccc(NC(=O)CCCCC(=O)[O-])nc2)c1 ZINC000910684792 982062214 /nfs/dbraw/zinc/06/22/14/982062214.db2.gz QXBXMEVTZOWJRP-UHFFFAOYSA-N -1 0 312.369 3.641 20 0 DHADRM CCCC[C@@H](SCc1csc([C@@H](C)OC)n1)C(=O)[O-] ZINC001595657684 982065628 /nfs/dbraw/zinc/06/56/28/982065628.db2.gz QCENZCXRUBUUGX-MWLCHTKSSA-N -1 0 303.449 3.727 20 0 DHADRM CCCC[C@@H](SCc1ccc(Br)cn1)C(=O)[O-] ZINC001595658023 982068690 /nfs/dbraw/zinc/06/86/90/982068690.db2.gz ZMVVLWYRKPSPAE-LLVKDONJSA-N -1 0 318.236 3.721 20 0 DHADRM CCCC[C@@H](SCc1noc(C2CCCCC2)n1)C(=O)[O-] ZINC001595657995 982068741 /nfs/dbraw/zinc/06/87/41/982068741.db2.gz YJOXEAQXYLCUFI-GFCCVEGCSA-N -1 0 312.435 3.994 20 0 DHADRM CCCCC1CCC(C(=O)N[C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001595660882 982073248 /nfs/dbraw/zinc/07/32/48/982073248.db2.gz NLPPXWUBLXBGAU-PIMMBPRGSA-N -1 0 323.458 3.987 20 0 DHADRM CCCCCC(C)(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595662491 982079978 /nfs/dbraw/zinc/07/99/78/982079978.db2.gz GDOIVCRCWNYRBQ-UHFFFAOYSA-N -1 0 312.797 3.978 20 0 DHADRM CCCCC[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC001595662664 982079993 /nfs/dbraw/zinc/07/99/93/982079993.db2.gz IBVNWVLZLVCIJP-MRXNPFEDSA-N -1 0 305.418 3.854 20 0 DHADRM CC[C@@](C)(NC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001594849098 982084949 /nfs/dbraw/zinc/08/49/49/982084949.db2.gz RMFKCHHIRLZKJV-QGZVFWFLSA-N -1 0 319.426 3.810 20 0 DHADRM CCCC[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723390 982086158 /nfs/dbraw/zinc/08/61/58/982086158.db2.gz YHHLSBYKTMTNRR-PWSUYJOCSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595666029 982095741 /nfs/dbraw/zinc/09/57/41/982095741.db2.gz CMGXTLHLSUDZRY-NSHDSACASA-N -1 0 306.406 3.942 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595666062 982097142 /nfs/dbraw/zinc/09/71/42/982097142.db2.gz DKOMHOWURIGTTA-CYBMUJFWSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@H](C)CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001595666623 982104525 /nfs/dbraw/zinc/10/45/25/982104525.db2.gz PLITZBOLDAVWQL-AWEZNQCLSA-N -1 0 305.418 3.536 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595666593 982105913 /nfs/dbraw/zinc/10/59/13/982105913.db2.gz ODYHBEAPBLEKBE-ZDUSSCGKSA-N -1 0 318.417 3.666 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595666816 982107307 /nfs/dbraw/zinc/10/73/07/982107307.db2.gz SSGMMXBQCJSNLY-JSEZXORMSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCC[C@@H](NC(=O)/C(C)=C\C1CCC(C)CC1)C(=O)[O-] ZINC001595669984 982115888 /nfs/dbraw/zinc/11/58/88/982115888.db2.gz LMHDAHVNWSHCPE-RCTLQQIKSA-N -1 0 309.450 3.909 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910810012 982130842 /nfs/dbraw/zinc/13/08/42/982130842.db2.gz NKGNMSMFOPHXGZ-PCKAHOCUSA-N -1 0 309.450 3.743 20 0 DHADRM CCCCC[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001595672779 982136586 /nfs/dbraw/zinc/13/65/86/982136586.db2.gz SQQDIDULCZKQMG-AWEZNQCLSA-N -1 0 311.466 3.989 20 0 DHADRM CC/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594860542 982138279 /nfs/dbraw/zinc/13/82/79/982138279.db2.gz JLWULWFGFHRYQH-SICOMBFOSA-N -1 0 317.429 3.972 20 0 DHADRM CSc1ccc(NC(=O)C23CCC(CC2)C3)cc1C(=O)[O-] ZINC000910947746 982172369 /nfs/dbraw/zinc/17/23/69/982172369.db2.gz LRJHMWPNOKVTRG-UHFFFAOYSA-N -1 0 305.399 3.626 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC001594873996 982197580 /nfs/dbraw/zinc/19/75/80/982197580.db2.gz RTXBHJRSOROMJM-MLGOLLRUSA-N -1 0 316.353 3.851 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595694882 982215020 /nfs/dbraw/zinc/21/50/20/982215020.db2.gz JYTDILKYUODIEM-NSHDSACASA-N -1 0 306.406 3.942 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595695121 982217003 /nfs/dbraw/zinc/21/70/03/982217003.db2.gz OLWHFSUCKKVPJU-UGUYLWEFSA-N -1 0 309.450 3.837 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001595695324 982217823 /nfs/dbraw/zinc/21/78/23/982217823.db2.gz RXOMXLZJERHXCA-FZKCQIBNSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc(C(=O)[O-])c1 ZINC000911066967 982224172 /nfs/dbraw/zinc/22/41/72/982224172.db2.gz IQXBLBLYDSWIFL-BBRMVZONSA-N -1 0 323.339 3.847 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCC[C@H](C)C1 ZINC001595731759 982363961 /nfs/dbraw/zinc/36/39/61/982363961.db2.gz HQGUJNRSWCNKEG-JSGCOSHPSA-N -1 0 306.406 3.534 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1 ZINC001595731974 982365834 /nfs/dbraw/zinc/36/58/34/982365834.db2.gz MSHZHYVDAZVSQG-CYBMUJFWSA-N -1 0 315.369 3.981 20 0 DHADRM CCCCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC001595736024 982381095 /nfs/dbraw/zinc/38/10/95/982381095.db2.gz RYHDKOMZQPFQQM-ZRDIBKRKSA-N -1 0 313.353 3.824 20 0 DHADRM CCCCN(C)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC001595741370 982402257 /nfs/dbraw/zinc/40/22/57/982402257.db2.gz KMKVTLQSJXARRK-UHFFFAOYSA-N -1 0 320.433 3.752 20 0 DHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2cc[nH]c2c1 ZINC000911407466 982419640 /nfs/dbraw/zinc/41/96/40/982419640.db2.gz JOWJMFMTYBZDFK-UHFFFAOYSA-N -1 0 314.385 3.556 20 0 DHADRM 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ZINC001594956855 982690281 /nfs/dbraw/zinc/69/02/81/982690281.db2.gz HKEMYJOBYMEDIP-ACJLOTCBSA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001594958015 982693848 /nfs/dbraw/zinc/69/38/48/982693848.db2.gz OTCQMUNQFZSWNT-SMDDNHRTSA-N -1 0 321.417 3.517 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594958968 982702459 /nfs/dbraw/zinc/70/24/59/982702459.db2.gz ZATMQUBFBQDWJQ-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594959437 982707390 /nfs/dbraw/zinc/70/73/90/982707390.db2.gz UGJNGCXQIDOSJJ-CJNGLKHVSA-N -1 0 323.408 3.717 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594959526 982707829 /nfs/dbraw/zinc/70/78/29/982707829.db2.gz XGGUKHCMSNMYFL-IIDMSEBBSA-N -1 0 309.450 3.696 20 0 DHADRM CCCN(C(=O)c1cc2ccc(C(C)C)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001595826929 982710648 /nfs/dbraw/zinc/71/06/48/982710648.db2.gz JEGAECIBGFHGPC-LBPRGKRZSA-N -1 0 316.401 3.617 20 0 DHADRM CCCC[C@H](CC)CC(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118511 982737863 /nfs/dbraw/zinc/73/78/63/982737863.db2.gz FTRLZSBQLOUOQH-AWEZNQCLSA-N -1 0 305.418 3.650 20 0 DHADRM CCCN(C)c1ccccc1NCc1cc(C(=O)[O-])oc1C ZINC001595840122 982759809 /nfs/dbraw/zinc/75/98/09/982759809.db2.gz SGQZFJLUIAYLJR-UHFFFAOYSA-N -1 0 302.374 3.745 20 0 DHADRM CC(C)c1cnc(CN[C@@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000656569741 1014880668 /nfs/dbraw/zinc/88/06/68/1014880668.db2.gz SEGQWAVNGFCFSZ-MLGOLLRUSA-N -1 0 318.442 3.613 20 0 DHADRM CCCN(CCC)c1ccc(Nc2nccnc2C(=O)[O-])cc1 ZINC001595880068 982885949 /nfs/dbraw/zinc/88/59/49/982885949.db2.gz VXYHIKUPZBKEBL-UHFFFAOYSA-N -1 0 314.389 3.545 20 0 DHADRM CCCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccc(F)cc1F ZINC001595885873 982910622 /nfs/dbraw/zinc/91/06/22/982910622.db2.gz KLWRALHLXNDNEY-UHFFFAOYSA-N -1 0 323.339 3.977 20 0 DHADRM Oc1cncc(/C=C/c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000341079071 1014892678 /nfs/dbraw/zinc/89/26/78/1014892678.db2.gz 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C/C(=C\C(=O)OC1CC(CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001588953354 984694339 /nfs/dbraw/zinc/69/43/39/984694339.db2.gz OZIVTCOVXFSILG-BJMVGYQFSA-N -1 0 308.761 3.540 20 0 DHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001588953653 984697569 /nfs/dbraw/zinc/69/75/69/984697569.db2.gz YHKCKIQSJNZHFX-KLQCNHIUSA-N -1 0 302.351 3.521 20 0 DHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001588953652 984697830 /nfs/dbraw/zinc/69/78/30/984697830.db2.gz YHKCKIQSJNZHFX-GDXASINISA-N -1 0 302.351 3.521 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588955871 984699607 /nfs/dbraw/zinc/69/96/07/984699607.db2.gz BDUYSSWQFHLZNM-HFBDAHEESA-N -1 0 303.402 3.619 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001588956624 984706161 /nfs/dbraw/zinc/70/61/61/984706161.db2.gz VTJILQIMZNSXLZ-ABFVJIKLSA-N -1 0 321.461 3.909 20 0 DHADRM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC001596666759 984731929 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C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC001599909251 984963629 /nfs/dbraw/zinc/96/36/29/984963629.db2.gz WXDPLVAYDMUFTD-MGCOHNPYSA-N -1 0 307.415 3.700 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1)C(=O)[O-] ZINC000909519284 1015091861 /nfs/dbraw/zinc/09/18/61/1015091861.db2.gz GXJUOIHZCDXEER-KGLIPLIRSA-N -1 0 301.386 3.635 20 0 DHADRM CC(=O)CCCCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001589034645 985072338 /nfs/dbraw/zinc/07/23/38/985072338.db2.gz BDSBCKLUOYSNCF-UHFFFAOYSA-N -1 0 316.357 3.517 20 0 DHADRM Cc1c(NC(=O)c2cc(C(=O)[O-])co2)cccc1C(F)(F)F ZINC000191563530 1015108094 /nfs/dbraw/zinc/10/80/94/1015108094.db2.gz XDRZYAHAUZXWNP-UHFFFAOYSA-N -1 0 313.231 3.557 20 0 DHADRM CCO[C@H](CCNc1nc(C(=O)[O-])c(C)s1)C1CCCC1 ZINC001596783826 985243789 /nfs/dbraw/zinc/24/37/89/985243789.db2.gz BFFMFWARSXEBNL-GFCCVEGCSA-N -1 0 312.435 3.547 20 0 DHADRM O=C([O-])CC1(CN2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000656758748 1015129822 /nfs/dbraw/zinc/12/98/22/1015129822.db2.gz 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ZINC000157857711 1015146555 /nfs/dbraw/zinc/14/65/55/1015146555.db2.gz VEWKQFCWQYRNED-UHFFFAOYSA-N -1 0 321.345 3.654 20 0 DHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCC(C)(C)F)c12 ZINC000656783107 1015147974 /nfs/dbraw/zinc/14/79/74/1015147974.db2.gz LEZJZZHXXHXXJO-UHFFFAOYSA-N -1 0 311.382 3.556 20 0 DHADRM Cc1[nH]c(C(=O)O[C@H](C)c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC001599960302 985768698 /nfs/dbraw/zinc/76/86/98/985768698.db2.gz FWUQNUBZHYZPJM-SECBINFHSA-N -1 0 323.295 3.526 20 0 DHADRM CC(=O)c1ccc(Cl)cc1OCc1cc(C(=O)[O-])c(C)o1 ZINC001589283880 986016099 /nfs/dbraw/zinc/01/60/99/986016099.db2.gz MSVPWXPXWFQPQU-UHFFFAOYSA-N -1 0 308.717 3.721 20 0 DHADRM CC(=O)c1ccc(F)cc1OCc1cc(C(=O)[O-])ccc1Cl ZINC001589284350 986021528 /nfs/dbraw/zinc/02/15/28/986021528.db2.gz YVLALBHONVGGDT-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001589297386 986041442 /nfs/dbraw/zinc/04/14/42/986041442.db2.gz PINCQUMGISEOLU-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1cccc(OCc2c(Cl)cccc2C(=O)[O-])c1F ZINC001589314049 986104222 /nfs/dbraw/zinc/10/42/22/986104222.db2.gz KHFTXEOARFLLSL-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)c2cc(Cl)ccc2O1 ZINC001594534180 986140681 /nfs/dbraw/zinc/14/06/81/986140681.db2.gz HLLHCPXWTLTSNA-SECBINFHSA-N -1 0 323.801 3.887 20 0 DHADRM CC(=O)c1csc(C(=O)O[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001589323164 986142402 /nfs/dbraw/zinc/14/24/02/986142402.db2.gz ZSJXQIUGFDCTIF-CYBMUJFWSA-N -1 0 324.398 3.531 20 0 DHADRM CC(=O)c1sccc1OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589324208 986155558 /nfs/dbraw/zinc/15/55/58/986155558.db2.gz XZQRPQGEXLLWKU-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](CC)CC[C@@H]1C ZINC001597015740 986370313 /nfs/dbraw/zinc/37/03/13/986370313.db2.gz UUWXYLIAPGEXLI-WCQYABFASA-N -1 0 320.389 3.578 20 0 DHADRM CCOc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001597061812 986550672 /nfs/dbraw/zinc/55/06/72/986550672.db2.gz 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986766627 /nfs/dbraw/zinc/76/66/27/986766627.db2.gz FEMAWDATRBCGHV-SPQRFVMMSA-N -1 0 321.348 3.608 20 0 DHADRM C[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)n1cccc1 ZINC001589439246 986772310 /nfs/dbraw/zinc/77/23/10/986772310.db2.gz GVFPUVBHNZVCLV-SNVBAGLBSA-N -1 0 314.366 3.601 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1cccs1 ZINC001589439621 986776463 /nfs/dbraw/zinc/77/64/63/986776463.db2.gz JRSHFLCQKMVWSL-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM CCOc1ccc(NC(=O)C=C2CCCCC2)c(C(=O)[O-])c1F ZINC001597112345 986777088 /nfs/dbraw/zinc/77/70/88/986777088.db2.gz MSBVQGBIEVRLJF-UHFFFAOYSA-N -1 0 321.348 3.752 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cscc1Cl)c1ccccc1 ZINC001589470274 986953097 /nfs/dbraw/zinc/95/30/97/986953097.db2.gz XZLCZQUXWCCNTG-RNCFNFMXSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H]1c2ccc(Cl)n2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594667600 986973163 /nfs/dbraw/zinc/97/31/63/986973163.db2.gz LRFIIFRJYVDGIY-JTQLQIEISA-N -1 0 322.767 3.556 20 0 DHADRM CCOc1ccccc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001597172561 987005101 /nfs/dbraw/zinc/00/51/01/987005101.db2.gz GHXJXXGTXQOQON-LLVKDONJSA-N -1 0 318.325 3.603 20 0 DHADRM C/C=C(/C=C/C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)CC ZINC001594676967 987010976 /nfs/dbraw/zinc/01/09/76/987010976.db2.gz FYEGFCUQBCJEFE-IRGXSWPKSA-N -1 0 313.397 3.967 20 0 DHADRM CC/C(=C\C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691006 987086729 /nfs/dbraw/zinc/08/67/29/987086729.db2.gz NKPDVJGMMANHLK-FLVLSHQESA-N -1 0 321.804 3.599 20 0 DHADRM CC/C(=C/C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691004 987087066 /nfs/dbraw/zinc/08/70/66/987087066.db2.gz NKPDVJGMMANHLK-CPFIRTDXSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1 ZINC001589504062 987111436 /nfs/dbraw/zinc/11/14/36/987111436.db2.gz KKKZCZSSJRAHMT-LBPRGKRZSA-N -1 0 316.401 3.671 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC001589508784 987130652 /nfs/dbraw/zinc/13/06/52/987130652.db2.gz MEFADJRKPSKGAI-DZGCQCFKSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC2(CC3CC3)CC2)cc1 ZINC001589513153 987155388 /nfs/dbraw/zinc/15/53/88/987155388.db2.gz OORJLINXWUDMID-LBPRGKRZSA-N -1 0 316.401 3.577 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3ccncc32)cc1 ZINC001589520812 987163123 /nfs/dbraw/zinc/16/31/23/987163123.db2.gz DBWLMYGVMURSJZ-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc[nH]c2C2CCC2)cc1 ZINC001589521029 987163673 /nfs/dbraw/zinc/16/36/73/987163673.db2.gz GYCICAMQPVPRGJ-LLVKDONJSA-N -1 0 312.369 3.723 20 0 DHADRM CCC(=O)Nc1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001594710826 987172359 /nfs/dbraw/zinc/17/23/59/987172359.db2.gz VPNJIFZNZDEIOE-SNVBAGLBSA-N -1 0 318.398 3.968 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccsc3[nH]2)c1 ZINC001589533153 987223327 /nfs/dbraw/zinc/22/33/27/987223327.db2.gz YFXUFMFEVHYIGT-VIFPVBQESA-N -1 0 314.366 3.670 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc(Cl)c2)c1 ZINC001589534672 987231784 /nfs/dbraw/zinc/23/17/84/987231784.db2.gz ZWXRRQMZEIXTEH-NSHDSACASA-N -1 0 317.772 3.709 20 0 DHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C1CCC(C)CC1 ZINC001594729237 987240884 /nfs/dbraw/zinc/24/08/84/987240884.db2.gz PDCGQRYIFTYPOT-PFSRBDOWSA-N -1 0 311.466 3.845 20 0 DHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC001589540929 987249223 /nfs/dbraw/zinc/24/92/23/987249223.db2.gz USNMBOCDGVKGDK-NOZJJQNGSA-N -1 0 324.785 3.874 20 0 DHADRM C[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589544282 987264650 /nfs/dbraw/zinc/26/46/50/987264650.db2.gz XQVFACHEHXMIFA-PRHODGIISA-N -1 0 316.275 3.504 20 0 DHADRM C[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589544284 987264813 /nfs/dbraw/zinc/26/48/13/987264813.db2.gz XQVFACHEHXMIFA-UFBFGSQYSA-N -1 0 316.275 3.504 20 0 DHADRM C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)[C@H](C)C(C)(C)C ZINC001589553881 987294846 /nfs/dbraw/zinc/29/48/46/987294846.db2.gz URNKPIODCZXOCH-QWRGUYRKSA-N -1 0 310.365 3.677 20 0 DHADRM CCSc1cccc(-c2noc([C@@H]3CC[C@H](C(=O)[O-])C3)n2)c1 ZINC001597273738 987331189 /nfs/dbraw/zinc/33/11/89/987331189.db2.gz ZWEWHPGUBGRREM-NEPJUHHUSA-N -1 0 318.398 3.817 20 0 DHADRM CCSc1cccc(CNC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001597276991 987331572 /nfs/dbraw/zinc/33/15/72/987331572.db2.gz AMJNIVYARKIEBJ-UHFFFAOYSA-N -1 0 320.414 3.510 20 0 DHADRM CCSc1nnc(SCc2ccccc2C(=O)[O-])s1 ZINC001597282217 987353150 /nfs/dbraw/zinc/35/31/50/987353150.db2.gz GGTWZBDUYZHDLY-UHFFFAOYSA-N -1 0 312.441 3.641 20 0 DHADRM CC(C)(C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C1CCC1 ZINC001589576438 987355570 /nfs/dbraw/zinc/35/55/70/987355570.db2.gz NALTZKKGWBURNR-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597288525 987370905 /nfs/dbraw/zinc/37/09/05/987370905.db2.gz IOLGPFOHOVDVQW-MRXNPFEDSA-N -1 0 315.344 3.713 20 0 DHADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001597296342 987395768 /nfs/dbraw/zinc/39/57/68/987395768.db2.gz OMIYUDFFSVUBQH-WDEREUQCSA-N -1 0 309.793 3.689 20 0 DHADRM CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C)c(F)c1 ZINC001597330044 987465030 /nfs/dbraw/zinc/46/50/30/987465030.db2.gz AOHZBDGMZKTHHC-AWEZNQCLSA-N -1 0 309.381 3.592 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)OCC2CCCCC2)C1 ZINC001589611682 987466478 /nfs/dbraw/zinc/46/64/78/987466478.db2.gz SWPGKHNVCVTDPU-AWEZNQCLSA-N -1 0 311.422 3.526 20 0 DHADRM CC(C)(C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC001589682232 987718454 /nfs/dbraw/zinc/71/84/54/987718454.db2.gz QUAIFTJGKCNXHL-UHFFFAOYSA-N -1 0 310.655 3.532 20 0 DHADRM CCc1c(NCc2cccc(C(=O)[O-])n2)cnn1C(CC)CC ZINC001597419687 987725819 /nfs/dbraw/zinc/72/58/19/987725819.db2.gz JFRCNPZSHUEYOH-UHFFFAOYSA-N -1 0 316.405 3.512 20 0 DHADRM CC(C)(C)C(=O)CSCc1cccc(C(=O)[O-])c1Cl ZINC001589685636 987727219 /nfs/dbraw/zinc/72/72/19/987727219.db2.gz BKEWASYPTCOBAY-UHFFFAOYSA-N -1 0 300.807 3.887 20 0 DHADRM CC(C)(C)C(C)(C)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589698452 987780651 /nfs/dbraw/zinc/78/06/51/987780651.db2.gz BUQNVFMURTWWMC-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(F)F)o2)s1 ZINC001597445505 987817183 /nfs/dbraw/zinc/81/71/83/987817183.db2.gz MLUTYWITSHNMFC-UHFFFAOYSA-N -1 0 315.297 3.792 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC001597453806 987856158 /nfs/dbraw/zinc/85/61/58/987856158.db2.gz SPNFFLWWAAEZLE-AWEZNQCLSA-N -1 0 318.417 3.847 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C2CCCC2)C1 ZINC001597453834 987857302 /nfs/dbraw/zinc/85/73/02/987857302.db2.gz TXFDPCQHPZLODW-UHFFFAOYSA-N -1 0 316.401 3.601 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccsc1 ZINC001597456417 987860961 /nfs/dbraw/zinc/86/09/61/987860961.db2.gz BLHFDKLQTOYOAS-SNVBAGLBSA-N -1 0 318.398 3.891 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC001597457623 987875748 /nfs/dbraw/zinc/87/57/48/987875748.db2.gz MTWUUVQSDWNAID-RYUDHWBXSA-N -1 0 318.417 3.893 20 0 DHADRM CC(C)(C)[C@@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC001589723468 987901631 /nfs/dbraw/zinc/90/16/31/987901631.db2.gz YGGPIBCQAWFCPU-NSHDSACASA-N -1 0 322.455 3.771 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccs1 ZINC001597465065 987902259 /nfs/dbraw/zinc/90/22/59/987902259.db2.gz QDZDDPBLLYBRQD-JTQLQIEISA-N -1 0 318.398 3.891 20 0 DHADRM CS[C@H](C)CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599784871 987904256 /nfs/dbraw/zinc/90/42/56/987904256.db2.gz XWAPNFRIQBIMOU-LLVKDONJSA-N -1 0 309.431 3.519 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncsc1C1CC1 ZINC001597466543 987915432 /nfs/dbraw/zinc/91/54/32/987915432.db2.gz YMQPSFHXQPDQAL-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589728654 987935757 /nfs/dbraw/zinc/93/57/57/987935757.db2.gz NXTHLRUUVOXJDY-HIFRSBDPSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001589729389 987943590 /nfs/dbraw/zinc/94/35/90/987943590.db2.gz YBTMMUIUGUJOJP-HZPDHXFCSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)[C@@H]1CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001589735330 987985671 /nfs/dbraw/zinc/98/56/71/987985671.db2.gz RTZRPDJSRCTDKO-MBNYWOFBSA-N -1 0 309.356 3.602 20 0 DHADRM CSCC(C)(C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599790612 988000208 /nfs/dbraw/zinc/00/02/08/988000208.db2.gz JIEHFHVQAKGUSX-CQSZACIVSA-N -1 0 322.426 3.695 20 0 DHADRM CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589740736 988010180 /nfs/dbraw/zinc/01/01/80/988010180.db2.gz FHJRNXFSVNPART-GDBMZVCRSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1ccc(Br)c(NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001597494841 988038271 /nfs/dbraw/zinc/03/82/71/988038271.db2.gz IVQLNDNOLGQVJC-UHFFFAOYSA-N -1 0 323.190 3.650 20 0 DHADRM CSCC1(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001599793446 988051964 /nfs/dbraw/zinc/05/19/64/988051964.db2.gz JHISUFVGPOPHRP-UHFFFAOYSA-N -1 0 313.806 3.510 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001589751857 988057586 /nfs/dbraw/zinc/05/75/86/988057586.db2.gz KZTAMTGCQSWBSY-LBPRGKRZSA-N -1 0 323.776 3.705 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(O)c1 ZINC001597503664 988072702 /nfs/dbraw/zinc/07/27/02/988072702.db2.gz WAKXAEIUUJLCGC-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CCc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597511952 988094471 /nfs/dbraw/zinc/09/44/71/988094471.db2.gz LIUOFZVZICNQFX-XHDPSFHLSA-N -1 0 318.394 3.783 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589771769 988123918 /nfs/dbraw/zinc/12/39/18/988123918.db2.gz GIZXULIJWSCZGC-AWEZNQCLSA-N -1 0 311.466 3.942 20 0 DHADRM CC(C)(C)CCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001589771897 988126257 /nfs/dbraw/zinc/12/62/57/988126257.db2.gz NOXMQVDNXJEYAH-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CC(C)(C)CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589779932 988145869 /nfs/dbraw/zinc/14/58/69/988145869.db2.gz BUEXBLVCPTWETL-GJZGRUSLSA-N -1 0 317.429 3.957 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589784644 988167767 /nfs/dbraw/zinc/16/77/67/988167767.db2.gz ZUSALFWNOKAHOC-GXFFZTMASA-N -1 0 314.385 3.877 20 0 DHADRM CC(C)(C)N(Cc1nc(C(=O)[O-])cs1)Cc1ccc(F)cc1 ZINC001589795081 988187735 /nfs/dbraw/zinc/18/77/35/988187735.db2.gz AEJIOAOOANRQSA-UHFFFAOYSA-N -1 0 322.405 3.781 20 0 DHADRM CCc1ccc(NC(=O)Cc2sc(C)cc2C)c(C(=O)[O-])c1 ZINC001597544379 988242699 /nfs/dbraw/zinc/24/26/99/988242699.db2.gz GDPVXTFVSMTLCH-UHFFFAOYSA-N -1 0 317.410 3.807 20 0 DHADRM CCc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC001597547433 988259293 /nfs/dbraw/zinc/25/92/93/988259293.db2.gz ZNCJXVKPVJFNIS-SMDDNHRTSA-N -1 0 324.808 3.667 20 0 DHADRM CCc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC001597547998 988262502 /nfs/dbraw/zinc/26/25/02/988262502.db2.gz QOWLDGKRNHQSSZ-MRXNPFEDSA-N -1 0 324.808 3.621 20 0 DHADRM CSc1cc(C)ccc1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599806938 988270780 /nfs/dbraw/zinc/27/07/80/988270780.db2.gz GAOBFYIOKNGSTA-UHFFFAOYSA-N -1 0 304.415 3.674 20 0 DHADRM CSc1cc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)ccc1F ZINC001599807083 988272471 /nfs/dbraw/zinc/27/24/71/988272471.db2.gz GLKYSCKSQJTIOK-UHFFFAOYSA-N -1 0 324.329 3.504 20 0 DHADRM CSc1cc(C(=O)OCCCC(=O)[O-])c(Cl)cc1Cl ZINC001599807248 988276015 /nfs/dbraw/zinc/27/60/15/988276015.db2.gz KWZSONZZTHVXLB-UHFFFAOYSA-N -1 0 323.197 3.737 20 0 DHADRM CSc1cc(C)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599807612 988281771 /nfs/dbraw/zinc/28/17/71/988281771.db2.gz PPYXNFWOGPFHQF-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CSc1cc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)ccc1F ZINC001599807797 988283973 /nfs/dbraw/zinc/28/39/73/988283973.db2.gz XBXDMLPXROENAQ-MRVPVSSYSA-N -1 0 324.329 3.757 20 0 DHADRM CCc1ccc([C@H](C)NC(=O)NCCCCCCC(=O)[O-])cc1 ZINC001597563862 988320396 /nfs/dbraw/zinc/32/03/96/988320396.db2.gz XXZAAAMSMQYNDV-AWEZNQCLSA-N -1 0 320.433 3.644 20 0 DHADRM CSc1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001599810212 988320810 /nfs/dbraw/zinc/32/08/10/988320810.db2.gz LORWZFLELRFZDX-SECBINFHSA-N -1 0 306.339 3.618 20 0 DHADRM CCc1oc(CN2CCc3cc(CC)ccc3C2)cc1C(=O)[O-] ZINC001597569245 988333979 /nfs/dbraw/zinc/33/39/79/988333979.db2.gz OQSBJMGZKNHNEA-UHFFFAOYSA-N -1 0 313.397 3.661 20 0 DHADRM CSc1ccc(C)c(NCc2ccccc2OCC(=O)[O-])c1 ZINC001599813601 988380771 /nfs/dbraw/zinc/38/07/71/988380771.db2.gz YBYWSVKEHDNZTL-UHFFFAOYSA-N -1 0 317.410 3.792 20 0 DHADRM CSc1ccc(N(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599814190 988392386 /nfs/dbraw/zinc/39/23/86/988392386.db2.gz GMJVNLRGJADJSP-UHFFFAOYSA-N -1 0 305.374 3.882 20 0 DHADRM C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094806 1015381150 /nfs/dbraw/zinc/38/11/50/1015381150.db2.gz NTOADFFQTJHUCR-NSHDSACASA-N -1 0 301.367 3.504 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1C(=O)[O-] ZINC001599816007 988426067 /nfs/dbraw/zinc/42/60/67/988426067.db2.gz LPCZUAYPPIFMMO-STQMWFEESA-N -1 0 319.426 3.872 20 0 DHADRM CCc1cccc(COc2ccc(/C=C\C(=O)[O-])cc2OC)c1 ZINC001597593577 988428357 /nfs/dbraw/zinc/42/83/57/988428357.db2.gz UMMFUGQEXDCCIZ-NTMALXAHSA-N -1 0 312.365 3.934 20 0 DHADRM CSc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC001599817689 988454774 /nfs/dbraw/zinc/45/47/74/988454774.db2.gz WCDRCORNVHPROS-WDEREUQCSA-N -1 0 322.430 3.617 20 0 DHADRM CCc1ccccc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001597609878 988501150 /nfs/dbraw/zinc/50/11/50/988501150.db2.gz XNNNWAKLOFNLDE-UHFFFAOYSA-N -1 0 312.365 3.830 20 0 DHADRM CCc1ccccc1Cc1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001597612250 988512725 /nfs/dbraw/zinc/51/27/25/988512725.db2.gz VPNYWXWOIYXBSG-HUUCEWRRSA-N -1 0 314.385 3.581 20 0 DHADRM CSc1ccccc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001599823184 988550162 /nfs/dbraw/zinc/55/01/62/988550162.db2.gz CDQNIYJMGLDYNH-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM CSc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC001599824693 988578357 /nfs/dbraw/zinc/57/83/57/988578357.db2.gz KVNZIZYGLYHZNC-HAQNSBGRSA-N -1 0 307.415 3.546 20 0 DHADRM CCc1csc(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001597638676 988627331 /nfs/dbraw/zinc/62/73/31/988627331.db2.gz SDEVOIGYKGIQIX-UHFFFAOYSA-N -1 0 316.382 3.805 20 0 DHADRM CCc1csc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])n1 ZINC001597641836 988640884 /nfs/dbraw/zinc/64/08/84/988640884.db2.gz MKOKQQQXHLGYTE-CYBMUJFWSA-N -1 0 307.440 3.802 20 0 DHADRM CCc1nc(-c2c(F)cccc2OC(F)F)sc1C(=O)[O-] ZINC001597645237 988662181 /nfs/dbraw/zinc/66/21/81/988662181.db2.gz PQGFWZHCAPEELC-UHFFFAOYSA-N -1 0 317.288 3.811 20 0 DHADRM CCc1nc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c(C)o1 ZINC001597651512 988691326 /nfs/dbraw/zinc/69/13/26/988691326.db2.gz QWEOGZYYZWFJHX-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001599833939 988715280 /nfs/dbraw/zinc/71/52/80/988715280.db2.gz ZFEFROHAXRTYOU-CYBMUJFWSA-N -1 0 312.365 3.758 20 0 DHADRM 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O=C(c1c([O-])cc(F)cc1F)N1CCC(c2ccsc2)CC1 ZINC000188718527 1021967511 /nfs/dbraw/zinc/96/75/11/1021967511.db2.gz YMGHPWOZXGLMTN-UHFFFAOYSA-N -1 0 323.364 3.752 20 0 DHADRM CN(CCC(=O)[O-])C(=O)c1cc2sc3ccccc3c2s1 ZINC000195216495 1022005582 /nfs/dbraw/zinc/00/55/82/1022005582.db2.gz GUCYHFPFNBHVBV-UHFFFAOYSA-N -1 0 319.407 3.663 20 0 DHADRM CC(C)CC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCC1 ZINC000236665964 1022007994 /nfs/dbraw/zinc/00/79/94/1022007994.db2.gz UQIPGPJATSANBQ-RMKNXTFCSA-N -1 0 301.386 3.939 20 0 DHADRM CCOc1ccc(NC(=O)c2c([O-])cccc2F)cc1OCC ZINC000391938051 1022078629 /nfs/dbraw/zinc/07/86/29/1022078629.db2.gz SFSYYNVANOOLKH-UHFFFAOYSA-N -1 0 319.332 3.581 20 0 DHADRM C[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC000620367919 1022137889 /nfs/dbraw/zinc/13/78/89/1022137889.db2.gz CDWXSRLIZGLBHN-SECBINFHSA-N -1 0 315.335 3.756 20 0 DHADRM CSc1ccc(Cl)cc1[N-]C(=S)NC[C@H]1CCCO1 ZINC000920759063 1022171654 /nfs/dbraw/zinc/17/16/54/1022171654.db2.gz FXFCPDLGTGOTOR-SNVBAGLBSA-N -1 0 316.879 3.527 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000776632852 1022188132 /nfs/dbraw/zinc/18/81/32/1022188132.db2.gz YWCJSFOUIYPHKM-FLIBITNWSA-N -1 0 321.376 3.746 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620569611 1022191555 /nfs/dbraw/zinc/19/15/55/1022191555.db2.gz YUIAOUUIJIOSEK-CYBMUJFWSA-N -1 0 309.356 3.855 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000649256181 1022201063 /nfs/dbraw/zinc/20/10/63/1022201063.db2.gz UDIYZJRBXGEVPD-KBPBESRZSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1cccc2c1CCC[C@H]2NC(=O)c1s[n-]c(=O)c1Cl ZINC000620672755 1022219204 /nfs/dbraw/zinc/21/92/04/1022219204.db2.gz IZSKHDSFERVPOL-LLVKDONJSA-N -1 0 322.817 3.618 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590400451 1022267972 /nfs/dbraw/zinc/26/79/72/1022267972.db2.gz WGKHYTNZGPNZMU-NSHDSACASA-N -1 0 319.430 3.643 20 0 DHADRM CN(CCCC(=O)[O-])c1nc(-c2ccccc2Cl)cs1 ZINC000416422258 1022317838 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Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1C ZINC000237609565 1022468009 /nfs/dbraw/zinc/46/80/09/1022468009.db2.gz KJGDBGJFBWSHSX-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM CC(C)(C)c1ccc(SCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766768511 1022476449 /nfs/dbraw/zinc/47/64/49/1022476449.db2.gz MQXZBSSBOOFKFN-UHFFFAOYSA-N -1 0 321.364 3.686 20 0 DHADRM CC(C)[C@@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000766767690 1022481493 /nfs/dbraw/zinc/48/14/93/1022481493.db2.gz HWQRDBLPGVHUBD-LLVKDONJSA-N -1 0 309.715 3.690 20 0 DHADRM Oc1cc(Nc2cccc(CN3CCOCC3)c2)ccc1Cl ZINC001212592596 1022491489 /nfs/dbraw/zinc/49/14/89/1022491489.db2.gz XRMJEZXYBDQGPG-UHFFFAOYSA-N -1 0 318.804 3.621 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000263342456 1022505524 /nfs/dbraw/zinc/50/55/24/1022505524.db2.gz XYFMYACXNCPXMO-GOSISDBHSA-N -1 0 303.402 3.679 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CC(C2CCCCC2)C1 ZINC000854667790 1022508412 /nfs/dbraw/zinc/50/84/12/1022508412.db2.gz NTRJGIGAZXGFAI-UHFFFAOYSA-N -1 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1031371754 /nfs/dbraw/zinc/37/17/54/1031371754.db2.gz PMFZRMPKUJLNLU-AWEZNQCLSA-N -1 0 318.442 3.665 20 0 DHADRM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000871883452 1031372290 /nfs/dbraw/zinc/37/22/90/1031372290.db2.gz NTXCOUCVKQBOIO-HNNXBMFYSA-N -1 0 307.777 3.801 20 0 DHADRM O=c1c2c([n-]n1-c1ccnc(Br)c1)CCCCCC2 ZINC000871952441 1031386617 /nfs/dbraw/zinc/38/66/17/1031386617.db2.gz AYVGTMXRHSMFAA-LLVKDONJSA-N -1 0 322.206 3.517 20 0 DHADRM C[C@]1(CCNc2ncc(C(=O)[O-])cc2Cl)C[C@]1(F)Cl ZINC000844929485 1031407459 /nfs/dbraw/zinc/40/74/59/1031407459.db2.gz PBOHDOYWZTWZLR-NWDGAFQWSA-N -1 0 307.152 3.550 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460102863 1031550820 /nfs/dbraw/zinc/55/08/20/1031550820.db2.gz HTIRKSXLRTWKSD-SNVBAGLBSA-N -1 0 324.475 3.635 20 0 DHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000929640053 1031562922 /nfs/dbraw/zinc/56/29/22/1031562922.db2.gz UYRSHQCLVDXSOA-AWEZNQCLSA-N -1 0 317.335 3.518 20 0 DHADRM 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1033608004 /nfs/dbraw/zinc/60/80/04/1033608004.db2.gz OFQSVCWGGPUISM-UHFFFAOYSA-N -1 0 311.168 3.993 20 0 DHADRM C[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000659801006 1033757262 /nfs/dbraw/zinc/75/72/62/1033757262.db2.gz DYXJSZLBMGPFOW-PWSUYJOCSA-N -1 0 316.228 3.579 20 0 DHADRM C[C@H]1CSCCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000889907121 1033771782 /nfs/dbraw/zinc/77/17/82/1033771782.db2.gz AMZREWOOKAWQLG-QMMMGPOBSA-N -1 0 320.241 3.667 20 0 DHADRM Cc1coc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc12 ZINC000479550020 1033805764 /nfs/dbraw/zinc/80/57/64/1033805764.db2.gz IDCVDMVHRUELJG-UHFFFAOYSA-N -1 0 323.320 3.820 20 0 DHADRM CC(C)N(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCC1 ZINC000826072038 1033809921 /nfs/dbraw/zinc/80/99/21/1033809921.db2.gz UHIGURTVUKMXFT-UHFFFAOYSA-N -1 0 304.415 3.910 20 0 DHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)c(F)c1 ZINC000118880679 1033824600 /nfs/dbraw/zinc/82/46/00/1033824600.db2.gz YDTSRQFGQRHWGB-UHFFFAOYSA-N -1 0 320.320 3.671 20 0 DHADRM 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CCC(=O)c1ccc([O-])c(NC(=O)C[C@H](O)CC[C@H](C)CC)c1 ZINC000794623428 1034317604 /nfs/dbraw/zinc/31/76/04/1034317604.db2.gz LBCLLROCFBXNAV-TZMCWYRMSA-N -1 0 321.417 3.501 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnc3[nH]ccc3c2)c1Cl ZINC001174395603 1034323061 /nfs/dbraw/zinc/32/30/61/1034323061.db2.gz KPGMZUNWJUQQLO-UHFFFAOYSA-N -1 0 313.119 3.805 20 0 DHADRM O=S(=O)(CC(F)(F)F)[N-]c1ccccc1-c1ccccc1 ZINC001253175972 1034324454 /nfs/dbraw/zinc/32/44/54/1034324454.db2.gz DTAMJCCHKPJUIB-UHFFFAOYSA-N -1 0 315.316 3.658 20 0 DHADRM Cc1cc(NC(=O)c2ncc3ccccc3c2[O-])cnc1Cl ZINC001137156719 1034344584 /nfs/dbraw/zinc/34/45/84/1034344584.db2.gz TZTHNTTXMNWIQA-UHFFFAOYSA-N -1 0 313.744 3.550 20 0 DHADRM CCCCCC[C@](C)(NC(=O)/C=C/c1ccsc1)C(=O)[O-] ZINC000777369179 1034346706 /nfs/dbraw/zinc/34/67/06/1034346706.db2.gz JMEHHPPEWCJFEC-WAVCKPEOSA-N -1 0 309.431 3.691 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000777377443 1034347853 /nfs/dbraw/zinc/34/78/53/1034347853.db2.gz 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ZINC000572318157 337606855 /nfs/dbraw/zinc/60/68/55/337606855.db2.gz FYGPULGFVIBDOF-SNVBAGLBSA-N -1 0 310.781 3.508 20 0 DHADRM CCC[C@H](C)CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262143857 337615466 /nfs/dbraw/zinc/61/54/66/337615466.db2.gz KLQDDXBJUDADEH-HNNXBMFYSA-N -1 0 305.418 3.706 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000262177602 337615805 /nfs/dbraw/zinc/61/58/05/337615805.db2.gz MADXNRZLUMLMEF-UHFFFAOYSA-N -1 0 315.413 3.500 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000262215497 337615878 /nfs/dbraw/zinc/61/58/78/337615878.db2.gz SNNVFQQDMYGQIK-CHWSQXEVSA-N -1 0 305.349 3.679 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC000262258337 337616161 /nfs/dbraw/zinc/61/61/61/337616161.db2.gz YMFYVIMUHBPNGD-AWEZNQCLSA-N -1 0 323.458 3.664 20 0 DHADRM CC[C@](NC(=O)[C@@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262208852 337616484 /nfs/dbraw/zinc/61/64/84/337616484.db2.gz SVXLPCNQCBCWSF-SJKOYZFVSA-N -1 0 321.804 3.502 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c(F)c1 ZINC000262389312 337617981 /nfs/dbraw/zinc/61/79/81/337617981.db2.gz MNRIVUQGWPUHKX-INIZCTEOSA-N -1 0 319.376 3.709 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000262668964 337620316 /nfs/dbraw/zinc/62/03/16/337620316.db2.gz OMKSWVDFGPICQW-KRWDZBQOSA-N -1 0 324.380 3.510 20 0 DHADRM C[C@]1(NC(=O)c2cc3ccccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000262734470 337620951 /nfs/dbraw/zinc/62/09/51/337620951.db2.gz IIENQDNTTNHVGO-PXAZEXFGSA-N -1 0 317.410 3.665 20 0 DHADRM CC(C)CCC1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000262753922 337620992 /nfs/dbraw/zinc/62/09/92/337620992.db2.gz YOBLFWFBAWDCJN-WKILWMFISA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000262790805 337621261 /nfs/dbraw/zinc/62/12/61/337621261.db2.gz OEBVYKPOONFEPH-AWEZNQCLSA-N -1 0 301.386 3.568 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000262822744 337621646 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ZINC000436652494 338281674 /nfs/dbraw/zinc/28/16/74/338281674.db2.gz NVKTUGLDFSEYKF-ZDUSSCGKSA-N -1 0 311.381 3.802 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCC[C@H](C)C(C)=O)c1 ZINC000436652157 338281759 /nfs/dbraw/zinc/28/17/59/338281759.db2.gz KMUKQACURLUBKR-LBPRGKRZSA-N -1 0 319.401 3.709 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc3nc(C)ccc3o2)c1 ZINC000436656989 338281898 /nfs/dbraw/zinc/28/18/98/338281898.db2.gz KLUQAVRHXAVZIN-UHFFFAOYSA-N -1 0 324.336 3.687 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000436681988 338282580 /nfs/dbraw/zinc/28/25/80/338282580.db2.gz TZCGXLKMGXMAMH-ZDUSSCGKSA-N -1 0 315.394 3.715 20 0 DHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000436735252 338284627 /nfs/dbraw/zinc/28/46/27/338284627.db2.gz MCUGMCUDKXTCII-ZWNOBZJWSA-N -1 0 311.784 3.835 20 0 DHADRM CC(C)Oc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccn1 ZINC000436777501 338286963 /nfs/dbraw/zinc/28/69/63/338286963.db2.gz NYPYWECDTDARNF-UHFFFAOYSA-N -1 0 324.739 3.619 20 0 DHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436818714 338288419 /nfs/dbraw/zinc/28/84/19/338288419.db2.gz LUDJCXACHOXBBQ-CQSZACIVSA-N -1 0 317.335 3.648 20 0 DHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c([O-])cccc1F ZINC000436840783 338289502 /nfs/dbraw/zinc/28/95/02/338289502.db2.gz RMDSCBYXNDNVRT-DZGCQCFKSA-N -1 0 313.372 3.625 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H](c2ccccc2)C1 ZINC000436856727 338290202 /nfs/dbraw/zinc/29/02/02/338290202.db2.gz ZDNLSQZBJPJXHJ-ZDUSSCGKSA-N -1 0 317.335 3.690 20 0 DHADRM O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(Cl)cc1[O-] ZINC000436866426 338290434 /nfs/dbraw/zinc/29/04/34/338290434.db2.gz XNODGMROZOXYPC-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000436872645 338291018 /nfs/dbraw/zinc/29/10/18/338291018.db2.gz QSYGSOIXYBNCFA-UHFFFAOYSA-N -1 0 322.364 3.647 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCSc2ccccc2)c1 ZINC000436876664 338291346 /nfs/dbraw/zinc/29/13/46/338291346.db2.gz JTPRXXIRQLLSHA-UHFFFAOYSA-N -1 0 315.394 3.716 20 0 DHADRM CCCc1nc(-c2noc(-c3ccc(Cl)cc3[O-])n2)co1 ZINC000436879735 338291523 /nfs/dbraw/zinc/29/15/23/338291523.db2.gz HQZYVAFXOQPFOQ-UHFFFAOYSA-N -1 0 305.721 3.703 20 0 DHADRM CCNc1ccc(Cl)cc1NC(=O)c1c([O-])cccc1F ZINC000436896552 338292476 /nfs/dbraw/zinc/29/24/76/338292476.db2.gz ZIQHGNVESDGEBS-UHFFFAOYSA-N -1 0 308.740 3.869 20 0 DHADRM COc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436896061 338292523 /nfs/dbraw/zinc/29/25/23/338292523.db2.gz RDLQSBSYXYMPMW-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436900191 338292689 /nfs/dbraw/zinc/29/26/89/338292689.db2.gz MIVLUGGXFJVCRI-LBPRGKRZSA-N -1 0 303.789 3.888 20 0 DHADRM COCc1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000436907272 338292996 /nfs/dbraw/zinc/29/29/96/338292996.db2.gz FJOAXRZUTMKOMW-UHFFFAOYSA-N -1 0 316.744 3.909 20 0 DHADRM COCc1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000436910322 338293111 /nfs/dbraw/zinc/29/31/11/338293111.db2.gz PRVUMTLCKHMAQZ-UHFFFAOYSA-N -1 0 316.744 3.909 20 0 DHADRM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436909618 338293131 /nfs/dbraw/zinc/29/31/31/338293131.db2.gz MEXWZACBYMOGFW-IAQYHMDHSA-N -1 0 319.763 3.546 20 0 DHADRM COc1cc(NC(=O)c2ccc(Cl)cc2[O-])c(C)cc1C ZINC000436931113 338294205 /nfs/dbraw/zinc/29/42/05/338294205.db2.gz ZJQVIBWPTRUDQG-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM O=C(Nc1ccc(Oc2cccnc2)cc1)c1c([O-])cccc1F ZINC000436936750 338294422 /nfs/dbraw/zinc/29/44/22/338294422.db2.gz ZLDWKSKWGIBTOU-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(O)c(C)c2)n1 ZINC000436938502 338294584 /nfs/dbraw/zinc/29/45/84/338294584.db2.gz LZKKJYUMQMUZIB-UHFFFAOYSA-N -1 0 307.353 3.651 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000436943297 338294931 /nfs/dbraw/zinc/29/49/31/338294931.db2.gz FCRLMOPEYUXRKL-OAHLLOKOSA-N -1 0 313.372 3.769 20 0 DHADRM Cc1cc(C)cc(CCNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436971189 338296233 /nfs/dbraw/zinc/29/62/33/338296233.db2.gz IRKUGAGLIPCZIR-UHFFFAOYSA-N -1 0 303.789 3.635 20 0 DHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436968317 338296318 /nfs/dbraw/zinc/29/63/18/338296318.db2.gz SJIZBUZFAPVHNR-MGPLVRAMSA-N -1 0 317.335 3.724 20 0 DHADRM CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436981366 338296650 /nfs/dbraw/zinc/29/66/50/338296650.db2.gz CELNABKAAHFYSF-CYBMUJFWSA-N -1 0 321.779 3.936 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436984017 338296800 /nfs/dbraw/zinc/29/68/00/338296800.db2.gz LJGVHQJOQCQNJE-GFCCVEGCSA-N -1 0 319.763 3.814 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCc2cc(Cl)ccc2C1 ZINC000437002012 338297402 /nfs/dbraw/zinc/29/74/02/338297402.db2.gz RYUPODZKABHZLK-UHFFFAOYSA-N -1 0 322.191 3.898 20 0 DHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000437320755 338306970 /nfs/dbraw/zinc/30/69/70/338306970.db2.gz IEHVMUCRKKXTBV-UHFFFAOYSA-N -1 0 322.455 3.556 20 0 DHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000437424674 338309725 /nfs/dbraw/zinc/30/97/25/338309725.db2.gz WPUWHCDKESBEBK-UHFFFAOYSA-N -1 0 316.473 3.611 20 0 DHADRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC000437671351 338317981 /nfs/dbraw/zinc/31/79/81/338317981.db2.gz SJXKGZINCNLMJO-UHFFFAOYSA-N -1 0 309.387 3.505 20 0 DHADRM O=S(=O)([N-]c1cccc(-c2cccs2)c1)c1ccco1 ZINC000437683775 338318138 /nfs/dbraw/zinc/31/81/38/338318138.db2.gz URPBKKBMGYIIOS-UHFFFAOYSA-N -1 0 305.380 3.809 20 0 DHADRM CCC(CC)[C@@H](CCNC(=O)c1ccc([O-])c(Cl)c1)OC ZINC000438175831 338334939 /nfs/dbraw/zinc/33/49/39/338334939.db2.gz JVAFNXJNKJJCFT-OAHLLOKOSA-N -1 0 313.825 3.617 20 0 DHADRM CC(C)(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000438758239 338351832 /nfs/dbraw/zinc/35/18/32/338351832.db2.gz UYDWRCVJBSVWCK-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM Cc1ccc(NS(=O)(=O)c2cccc(F)c2C)c(Cl)c1 ZINC000438782749 338352104 /nfs/dbraw/zinc/35/21/04/338352104.db2.gz AIBGBRBNSHGWKN-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CCC(C)(C)c1ccc(CNC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000439696322 338376016 /nfs/dbraw/zinc/37/60/16/338376016.db2.gz GXGALPRKYKQTHB-UHFFFAOYSA-N -1 0 315.369 3.595 20 0 DHADRM CCC(C)(C)c1ccc(CNC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000439696700 338376066 /nfs/dbraw/zinc/37/60/66/338376066.db2.gz HPCCHLHSAPTTKV-UHFFFAOYSA-N -1 0 317.429 3.635 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000439707387 338376260 /nfs/dbraw/zinc/37/62/60/338376260.db2.gz KCPSJWHKHYNTQZ-DZGCQCFKSA-N -1 0 303.402 3.808 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000439914174 338380733 /nfs/dbraw/zinc/38/07/33/338380733.db2.gz VAVUGSURYDIDCT-UHFFFAOYSA-N -1 0 303.383 3.751 20 0 DHADRM CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)s1 ZINC000439914507 338380772 /nfs/dbraw/zinc/38/07/72/338380772.db2.gz VRUWIRZZBOMIIT-UHFFFAOYSA-N -1 0 309.431 3.635 20 0 DHADRM CCSc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000439928780 338381118 /nfs/dbraw/zinc/38/11/18/338381118.db2.gz GAJMBWBRCUMCHA-AWEZNQCLSA-N -1 0 321.442 3.658 20 0 DHADRM CCSc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000439939615 338381302 /nfs/dbraw/zinc/38/13/02/338381302.db2.gz CHWFGKOHERGXJU-UHFFFAOYSA-N -1 0 301.367 3.749 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)s1 ZINC000439943105 338381371 /nfs/dbraw/zinc/38/13/71/338381371.db2.gz ITPIGLBYXXGTAM-UHFFFAOYSA-N -1 0 319.382 3.587 20 0 DHADRM O=C([O-])C1(c2cccc(-c3cncc(C(F)(F)F)c3)c2)CC1 ZINC000575003382 338535898 /nfs/dbraw/zinc/53/58/98/338535898.db2.gz LWRBAEYPVKBNAW-UHFFFAOYSA-N -1 0 307.271 3.884 20 0 DHADRM CCCC[C@H](CC)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000447897822 338570888 /nfs/dbraw/zinc/57/08/88/338570888.db2.gz PEFHNWPPYPPOBT-RDJZCZTQSA-N -1 0 319.445 3.952 20 0 DHADRM C[C@@H](NC(=O)CCCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC000448993626 338582100 /nfs/dbraw/zinc/58/21/00/338582100.db2.gz NPUPXQCUPMPQKH-ZIAGYGMSSA-N -1 0 319.445 3.532 20 0 DHADRM CC(C)c1ccoc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000450524767 338689343 /nfs/dbraw/zinc/68/93/43/338689343.db2.gz OONNYRDKIFUMRR-AWEZNQCLSA-N -1 0 307.390 3.556 20 0 DHADRM Cc1c(Cl)cncc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000451060961 338719992 /nfs/dbraw/zinc/71/99/92/338719992.db2.gz ABRXWCPPGTZDCQ-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCc2ccccc2CC1 ZINC000456319222 338925980 /nfs/dbraw/zinc/92/59/80/338925980.db2.gz XAVRNYXOCXNING-UHFFFAOYSA-N -1 0 315.800 3.677 20 0 DHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000456327649 338926315 /nfs/dbraw/zinc/92/63/15/338926315.db2.gz JHARNITVVANQCC-BXUZGUMPSA-N -1 0 313.800 3.937 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1cccn1C1CCCC1 ZINC000457292096 338958375 /nfs/dbraw/zinc/95/83/75/338958375.db2.gz LHOKMLMWIUMKBA-UHFFFAOYSA-N -1 0 306.312 3.839 20 0 DHADRM C[C@H](CCCc1cccnc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000457908499 338982624 /nfs/dbraw/zinc/98/26/24/338982624.db2.gz KXTOMHDUCOMYKU-GFCCVEGCSA-N -1 0 318.804 3.582 20 0 DHADRM CN(C(=O)c1c([O-])cccc1F)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458031604 338986495 /nfs/dbraw/zinc/98/64/95/338986495.db2.gz RZKHRZUOTTVNMQ-HOCLYGCPSA-N -1 0 313.372 3.940 20 0 DHADRM O=c1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)nc(C2CC2)[nH]1 ZINC000459372359 339025414 /nfs/dbraw/zinc/02/54/14/339025414.db2.gz QTSOSZPRTQUDJM-SFHVURJKSA-N -1 0 309.413 3.691 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-] ZINC000165099324 339052727 /nfs/dbraw/zinc/05/27/27/339052727.db2.gz VNKVUGPSBXQQLY-UHFFFAOYSA-N -1 0 312.797 3.661 20 0 DHADRM CCCc1nc(=NCc2csc(-c3ccccc3)n2)s[n-]1 ZINC000461729229 339066075 /nfs/dbraw/zinc/06/60/75/339066075.db2.gz PTTDDHDXYHWIFD-UHFFFAOYSA-N -1 0 316.455 3.648 20 0 DHADRM CCCc1nc(=N[C@@H](c2ccc(C)cc2)c2ccccn2)s[n-]1 ZINC000461957233 339069726 /nfs/dbraw/zinc/06/97/26/339069726.db2.gz LXKPKZBLUJMOCY-KRWDZBQOSA-N -1 0 324.453 3.817 20 0 DHADRM CCCc1nc(=N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)s[n-]1 ZINC000461974049 339070234 /nfs/dbraw/zinc/07/02/34/339070234.db2.gz NPUWANOJHXOQDG-GOEBONIOSA-N -1 0 317.458 3.553 20 0 DHADRM C[C@H]1CCCC[C@@H]1OCCN=c1nc(-c2ccccc2)[n-]s1 ZINC000462793939 339089123 /nfs/dbraw/zinc/08/91/23/339089123.db2.gz WXDSPMUXJVCFOV-ZFWWWQNUSA-N -1 0 317.458 3.634 20 0 DHADRM Cc1nc(=NC[C@H](C)c2c(Cl)cccc2Cl)s[n-]1 ZINC000462798755 339089600 /nfs/dbraw/zinc/08/96/00/339089600.db2.gz RZQFMZOSZHZBTL-ZETCQYMHSA-N -1 0 302.230 3.791 20 0 DHADRM c1ccc(-c2nc(=NCCOC3CCCCCC3)s[n-]2)cc1 ZINC000462871851 339095498 /nfs/dbraw/zinc/09/54/98/339095498.db2.gz ILORMNTWOXLMNJ-UHFFFAOYSA-N -1 0 317.458 3.778 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC000463111246 339106155 /nfs/dbraw/zinc/10/61/55/339106155.db2.gz YBAXKDXYVPBZJW-BYPYZUCNSA-N -1 0 302.079 3.836 20 0 DHADRM COc1ccccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468549434 339266011 /nfs/dbraw/zinc/26/60/11/339266011.db2.gz TYYFJNNOUIOWFN-UHFFFAOYSA-N -1 0 305.399 3.619 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1F ZINC000472006653 339359240 /nfs/dbraw/zinc/35/92/40/339359240.db2.gz AMWVLXZIVDZMMO-GFCCVEGCSA-N -1 0 315.344 3.883 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC000472021123 339359592 /nfs/dbraw/zinc/35/95/92/339359592.db2.gz VXQPCTZRCMDIRT-UHFFFAOYSA-N -1 0 323.392 3.980 20 0 DHADRM CCC1(C(=O)N=c2nc(-c3sccc3C)[n-]s2)CCCC1 ZINC000472290795 339369156 /nfs/dbraw/zinc/36/91/56/339369156.db2.gz DPZJXHZEQDZTER-UHFFFAOYSA-N -1 0 321.471 3.906 20 0 DHADRM CCC(CC)(CC(=O)N[C@H](C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000473628430 339389095 /nfs/dbraw/zinc/38/90/95/339389095.db2.gz VQXUPARAZYOFOT-UONOGXRCSA-N -1 0 305.418 3.576 20 0 DHADRM CCc1csc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1 ZINC000473772066 339391690 /nfs/dbraw/zinc/39/16/90/339391690.db2.gz SOOOHCZRIVHJPM-UHFFFAOYSA-N -1 0 322.864 3.530 20 0 DHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000476514399 339477873 /nfs/dbraw/zinc/47/78/73/339477873.db2.gz SCFAKIZLKBGGFV-MADCSZMMSA-N -1 0 306.189 3.699 20 0 DHADRM CC(C)n1nccc1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000480027791 339555874 /nfs/dbraw/zinc/55/58/74/339555874.db2.gz BTPZDMJCEXIFQP-GQCTYLIASA-N -1 0 313.382 3.942 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)cc1 ZINC000484086225 339680828 /nfs/dbraw/zinc/68/08/28/339680828.db2.gz DSXRBDSZLSHKPI-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000485727832 339711634 /nfs/dbraw/zinc/71/16/34/339711634.db2.gz CEUQFMZBDSPPLF-GJZGRUSLSA-N -1 0 319.445 3.808 20 0 DHADRM O=C([O-])c1ccc2oc(/C=C\c3c(F)ccc(O)c3F)nc2c1 ZINC000485971638 339717517 /nfs/dbraw/zinc/71/75/17/339717517.db2.gz ASMJQDUXMFJSOO-KXFIGUGUSA-N -1 0 317.247 3.680 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/Sc2ccccc2)c1 ZINC000492212652 339894367 /nfs/dbraw/zinc/89/43/67/339894367.db2.gz AZDJJUQVWLAINF-MDZDMXLPSA-N -1 0 313.378 3.558 20 0 DHADRM Cc1ncsc1/C=C/C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000492662190 339906410 /nfs/dbraw/zinc/90/64/10/339906410.db2.gz JWFYDJIVJRIBNE-NSCUHMNNSA-N 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CCc1ccc([C@@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000512553598 340366764 /nfs/dbraw/zinc/36/67/64/340366764.db2.gz GUGXOVSNFXIBTO-GFCCVEGCSA-N -1 0 311.381 3.899 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000517145739 340464417 /nfs/dbraw/zinc/46/44/17/340464417.db2.gz QLPWSTVRBHPXIK-WFASDCNBSA-N -1 0 318.417 3.559 20 0 DHADRM O=C(/C=C/c1ccnc2ccccc12)Nc1cc(C(=O)[O-])cs1 ZINC000191335159 340553093 /nfs/dbraw/zinc/55/30/93/340553093.db2.gz RNBYZVOWHHYBMU-AATRIKPKSA-N -1 0 324.361 3.646 20 0 DHADRM Cc1ccc2nc(NC(=O)c3c([O-])cccc3F)sc2c1 ZINC000228898769 340609041 /nfs/dbraw/zinc/60/90/41/340609041.db2.gz XEQALYQHMBQMCM-UHFFFAOYSA-N -1 0 302.330 3.702 20 0 DHADRM CCCC[C@H](CC)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000236870680 340665907 /nfs/dbraw/zinc/66/59/07/340665907.db2.gz VUYJHNAFRZADIC-DLBZAZTESA-N -1 0 319.445 3.571 20 0 DHADRM CCCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000236874379 340666001 /nfs/dbraw/zinc/66/60/01/340666001.db2.gz 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ZINC000547522495 341220355 /nfs/dbraw/zinc/22/03/55/341220355.db2.gz BSYJVYMHARHWDL-UHFFFAOYSA-N -1 0 307.393 3.642 20 0 DHADRM C[C@@H]1CCCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000547604525 341222883 /nfs/dbraw/zinc/22/28/83/341222883.db2.gz OIJSYYHKICZUMU-SNVBAGLBSA-N -1 0 312.207 3.559 20 0 DHADRM COC1CCC(Cc2noc(/C=C/c3cccc(O)c3)n2)CC1 ZINC000547700849 341227334 /nfs/dbraw/zinc/22/73/34/341227334.db2.gz ZTDCREJWKCCOLX-JXMROGBWSA-N -1 0 314.385 3.693 20 0 DHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000548150264 341249558 /nfs/dbraw/zinc/24/95/58/341249558.db2.gz YUXWCGNFEMWRNA-UHFFFAOYSA-N -1 0 320.801 3.931 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1CC(C)(C)C1)C1CCCCC1 ZINC000548691017 341269483 /nfs/dbraw/zinc/26/94/83/341269483.db2.gz ZODHWUMHHIHNJF-SFHVURJKSA-N -1 0 309.450 3.600 20 0 DHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1cnc2ccccc2c1 ZINC000548977625 341282673 /nfs/dbraw/zinc/28/26/73/341282673.db2.gz BAADDRTVSULTPT-UHFFFAOYSA-N -1 0 323.377 3.517 20 0 DHADRM CO[C@H](C)c1nc(=Nc2ccc(OC3CCCC3)cc2)s[n-]1 ZINC000549001989 341283315 /nfs/dbraw/zinc/28/33/15/341283315.db2.gz USYUYTKMZWCAII-LLVKDONJSA-N -1 0 319.430 3.732 20 0 DHADRM CCCOc1ccc(C(=O)[O-])cc1NC(=O)N(C)CC(C)(C)C ZINC000549016523 341283630 /nfs/dbraw/zinc/28/36/30/341283630.db2.gz UVSISFVGDFSAST-UHFFFAOYSA-N -1 0 322.405 3.683 20 0 DHADRM CC(C)(C)C(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000550935406 341327313 /nfs/dbraw/zinc/32/73/13/341327313.db2.gz QNJOSXRBEWJORL-UHFFFAOYSA-N -1 0 309.460 3.699 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(Br)o1 ZINC000551055629 341330356 /nfs/dbraw/zinc/33/03/56/341330356.db2.gz SDBPJMORZONVQX-UHFFFAOYSA-N -1 0 324.174 3.969 20 0 DHADRM Cc1c(S(=O)(=O)[N-]c2ccc(C)cc2)c2ccccc2n1C ZINC000551467806 341342527 /nfs/dbraw/zinc/34/25/27/341342527.db2.gz MVPJRRQNXSOTHI-UHFFFAOYSA-N -1 0 314.410 3.596 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000247138509 341361430 /nfs/dbraw/zinc/36/14/30/341361430.db2.gz 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ZINC000565033123 341515507 /nfs/dbraw/zinc/51/55/07/341515507.db2.gz UZGOATYGKQSTGX-JFBXJRRNSA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H](C)CC(=O)[O-])o1 ZINC000565224974 341520629 /nfs/dbraw/zinc/52/06/29/341520629.db2.gz MTNWPIYNKAQBND-HIFRSBDPSA-N -1 0 321.417 3.787 20 0 DHADRM Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)ccc1C(=O)[O-] ZINC000565235616 341520895 /nfs/dbraw/zinc/52/08/95/341520895.db2.gz HFQVOECAXRWXSO-KRWDZBQOSA-N -1 0 312.365 3.666 20 0 DHADRM CC(C)OCc1cccc(-c2cccc(OCC(=O)[O-])c2)c1 ZINC000565237745 341521055 /nfs/dbraw/zinc/52/10/55/341521055.db2.gz KGBXHSGYOSFLLP-UHFFFAOYSA-N -1 0 300.354 3.742 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000262513346 341523744 /nfs/dbraw/zinc/52/37/44/341523744.db2.gz NDHQGTLGQFZHNE-HNNXBMFYSA-N -1 0 303.402 3.535 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000262554865 341524830 /nfs/dbraw/zinc/52/48/30/341524830.db2.gz TYEXYMCMOAWAMB-LMPOIIKSSA-N -1 0 309.450 3.552 20 0 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317.429 3.506 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)C(C)C ZINC000236872004 521728416 /nfs/dbraw/zinc/72/84/16/521728416.db2.gz LEPHHPYQQMHKDE-VSGCLNPGSA-N -1 0 307.415 3.501 20 0 DHADRM CC[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000236939699 522108142 /nfs/dbraw/zinc/10/81/42/522108142.db2.gz MWPUZFYVPVGXFR-CQSZACIVSA-N -1 0 311.381 3.836 20 0 DHADRM CC[C@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000237052637 523084168 /nfs/dbraw/zinc/08/41/68/523084168.db2.gz LIAMQFMJQQUPRQ-STQMWFEESA-N -1 0 321.442 3.514 20 0 DHADRM CCn1nccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000338086639 523703212 /nfs/dbraw/zinc/70/32/12/523703212.db2.gz HAJCLGQYZDWHNY-PKNBQFBNSA-N -1 0 313.382 3.528 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237374211 524111772 /nfs/dbraw/zinc/11/17/72/524111772.db2.gz ZEAWSLRGZXUKRS-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237424911 524119966 /nfs/dbraw/zinc/11/99/66/524119966.db2.gz 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524788606 /nfs/dbraw/zinc/78/86/06/524788606.db2.gz HAIAQQSVLYRSEM-HNNXBMFYSA-N -1 0 321.417 3.544 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)s1 ZINC000337166500 525605375 /nfs/dbraw/zinc/60/53/75/525605375.db2.gz ZTENOHPREKDCRW-UHFFFAOYSA-N -1 0 311.403 3.874 20 0 DHADRM Cc1ccc(SC2CCCC2)c(C(=O)NCCCC(=O)[O-])c1 ZINC000190526114 525644064 /nfs/dbraw/zinc/64/40/64/525644064.db2.gz VSXBSEBAKVZVPP-UHFFFAOYSA-N -1 0 321.442 3.624 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000237418446 525765373 /nfs/dbraw/zinc/76/53/73/525765373.db2.gz NWLZSIANJIMZAW-GFCCVEGCSA-N -1 0 317.410 3.707 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000262627090 525994444 /nfs/dbraw/zinc/99/44/44/525994444.db2.gz NTBSKXPMSGBNNE-DYEKYZERSA-N -1 0 321.442 3.560 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000191400059 526220672 /nfs/dbraw/zinc/22/06/72/526220672.db2.gz OHQMAIICLNLKNI-SNVBAGLBSA-N -1 0 303.383 3.572 20 0 DHADRM Cc1cc(C(=O)NCCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237583972 526266534 /nfs/dbraw/zinc/26/65/34/526266534.db2.gz YQZIMRASXRKYDM-UHFFFAOYSA-N -1 0 320.433 3.595 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000245750718 526277032 /nfs/dbraw/zinc/27/70/32/526277032.db2.gz TYZHYOUHHRNXQB-ZNMIVQPWSA-N -1 0 319.401 3.614 20 0 DHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCC1CCCC1 ZINC000263470858 526395547 /nfs/dbraw/zinc/39/55/47/526395547.db2.gz XUWOAHQSOSEVNZ-UHFFFAOYSA-N -1 0 323.392 3.972 20 0 DHADRM Cc1oc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000245663895 526773501 /nfs/dbraw/zinc/77/35/01/526773501.db2.gz NVDICTYKTKGUQE-MELADBBJSA-N -1 0 319.401 3.509 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000263268934 527577195 /nfs/dbraw/zinc/57/71/95/527577195.db2.gz HXFZIACQOBORSN-IAGOWNOFSA-N -1 0 317.429 3.549 20 0 DHADRM O=C([O-])CCCOc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000238000295 527588563 /nfs/dbraw/zinc/58/85/63/527588563.db2.gz 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319.407 3.583 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737044895 600371730 /nfs/dbraw/zinc/37/17/30/600371730.db2.gz JQTIIJCHQCISKX-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM Cc1cc(NC(=O)c2cc3cc(F)ccc3o2)sc1C(=O)[O-] ZINC000738240047 600372030 /nfs/dbraw/zinc/37/20/30/600372030.db2.gz GEXVEESCIUZOQZ-UHFFFAOYSA-N -1 0 319.313 3.892 20 0 DHADRM CN(C(=O)CC/C=C/c1ccccc1)c1ccccc1C(=O)[O-] ZINC000737317368 600373387 /nfs/dbraw/zinc/37/33/87/600373387.db2.gz HUKCHPNKQDWELG-VZUCSPMQSA-N -1 0 309.365 3.841 20 0 DHADRM O=C([O-])c1cc(NC(=O)CC/C=C/c2ccccc2)ccc1F ZINC000739235473 600374237 /nfs/dbraw/zinc/37/42/37/600374237.db2.gz LDVKDJFCDSVSOH-XBXARRHUSA-N -1 0 313.328 3.956 20 0 DHADRM Cc1c(NC(=O)[C@H](C)Cc2ccccc2F)cccc1C(=O)[O-] ZINC000675966427 600374900 /nfs/dbraw/zinc/37/49/00/600374900.db2.gz IURAYVQFPNPVIU-LLVKDONJSA-N -1 0 315.344 3.650 20 0 DHADRM CC[C@@H](CC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262681952 600378731 /nfs/dbraw/zinc/37/87/31/600378731.db2.gz 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DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829207754 604944694 /nfs/dbraw/zinc/94/46/94/604944694.db2.gz DUIUZFROVJIAKC-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM C[C@]1(NC(=O)CC/C=C/c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC000262804816 604953938 /nfs/dbraw/zinc/95/39/38/604953938.db2.gz OPQUGQZVMOHOAN-GSIAUUQWSA-N -1 0 315.413 3.630 20 0 DHADRM CC(C)(CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000262776296 604968080 /nfs/dbraw/zinc/96/80/80/604968080.db2.gz LWKLOXMFMADDFQ-HNAYVOBHSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1scc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000263147234 605010835 /nfs/dbraw/zinc/01/08/35/605010835.db2.gz NGBJUEZITXCVDY-OAHLLOKOSA-N -1 0 317.410 3.701 20 0 DHADRM CC[C@H](OC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000833645228 605017114 /nfs/dbraw/zinc/01/71/14/605017114.db2.gz HWRJSXPMEGXBTH-HNNXBMFYSA-N -1 0 312.321 3.535 20 0 DHADRM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000833536814 605018410 /nfs/dbraw/zinc/01/84/10/605018410.db2.gz RRQDCLBRPSNUJP-LBPRGKRZSA-N -1 0 321.332 3.851 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC000833409747 605044339 /nfs/dbraw/zinc/04/43/39/605044339.db2.gz QUNSGXAAIUEPBU-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000574613237 605046908 /nfs/dbraw/zinc/04/69/08/605046908.db2.gz AAZFKWQPFPWUBT-MAVJXHJTSA-N -1 0 315.413 3.679 20 0 DHADRM CC(=O)[C@@H](C)S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833387543 605071856 /nfs/dbraw/zinc/07/18/56/605071856.db2.gz GUOBHBLQYYWHJT-RDDDGLTNSA-N -1 0 307.198 3.830 20 0 DHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659756194 605083359 /nfs/dbraw/zinc/08/33/59/605083359.db2.gz KKJZKSQUTMAMPG-PRLABOORSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000190621030 605106327 /nfs/dbraw/zinc/10/63/27/605106327.db2.gz CQFXWSJGKPOIIJ-MRXNPFEDSA-N -1 0 315.413 3.556 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833601616 605136860 /nfs/dbraw/zinc/13/68/60/605136860.db2.gz MYHAYKADCMKXHN-SUNKGSAMSA-N -1 0 320.364 3.709 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000737612244 605137912 /nfs/dbraw/zinc/13/79/12/605137912.db2.gz QTPSKTXUYVXCKT-SECBINFHSA-N -1 0 310.419 3.832 20 0 DHADRM CC(C)CN(C(=O)Nc1scc(C2CC2)c1C(=O)[O-])C1CC1 ZINC000833485276 605138578 /nfs/dbraw/zinc/13/85/78/605138578.db2.gz LUQZNXOGKYEKRL-UHFFFAOYSA-N -1 0 322.430 3.976 20 0 DHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833604949 605139414 /nfs/dbraw/zinc/13/94/14/605139414.db2.gz UZDIOWRREAFWFJ-DTORHVGOSA-N -1 0 308.403 3.728 20 0 DHADRM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1cc(F)ccc1F ZINC000833643845 605145281 /nfs/dbraw/zinc/14/52/81/605145281.db2.gz IJCJCIIERYXWTL-CQSZACIVSA-N -1 0 309.312 3.805 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000833599922 605145916 /nfs/dbraw/zinc/14/59/16/605145916.db2.gz ANGDIBRCDIZYAS-NEPJUHHUSA-N -1 0 305.374 3.547 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)C1 ZINC000833607039 605150986 /nfs/dbraw/zinc/15/09/86/605150986.db2.gz YHNOAJFPJDZZIK-BDAKNGLRSA-N -1 0 310.419 3.514 20 0 DHADRM CC1(CNC(=O)c2cccc(NC(=O)[O-])c2)CCCCCC1 ZINC000833563301 605156740 /nfs/dbraw/zinc/15/67/40/605156740.db2.gz GXTBFWBODDXBFJ-UHFFFAOYSA-N -1 0 304.390 3.867 20 0 DHADRM C/C(=C/C(=O)Nc1scc(C(=O)[O-])c1C)c1cccc(F)c1 ZINC000833382207 605158514 /nfs/dbraw/zinc/15/85/14/605158514.db2.gz HYGDKKCQWBRANV-TWGQIWQCSA-N -1 0 319.357 3.936 20 0 DHADRM CCc1noc(C)c1CSCCOc1ccccc1C(=O)[O-] ZINC000833679348 605159759 /nfs/dbraw/zinc/15/97/59/605159759.db2.gz QSSXVTLDILVPND-UHFFFAOYSA-N -1 0 321.398 3.556 20 0 DHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1scnc1C(C)(C)C ZINC000833741592 605160099 /nfs/dbraw/zinc/16/00/99/605160099.db2.gz SJASVBXOOOZYCJ-UHFFFAOYSA-N -1 0 324.427 3.761 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000833603088 605167294 /nfs/dbraw/zinc/16/72/94/605167294.db2.gz STSPLMQFAVQROO-MNOVXSKESA-N -1 0 317.410 3.652 20 0 DHADRM CC1(C)CC[C@@H]2C[C@H](Nc3cncc(C(=O)[O-])n3)c3cccc1c32 ZINC000833557974 605196055 /nfs/dbraw/zinc/19/60/55/605196055.db2.gz ABIXSVIVQWITFV-RISCZKNCSA-N -1 0 323.396 3.887 20 0 DHADRM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)[C@@H]2CCCC[C@H]21 ZINC000833635199 605196345 /nfs/dbraw/zinc/19/63/45/605196345.db2.gz PPNABMFVLUXFFG-HRDYMLBCSA-N -1 0 300.811 3.510 20 0 DHADRM CC(C)(C)Oc1c(F)cc(NCc2c[nH]c(C(=O)[O-])c2)cc1F ZINC000833445159 605197164 /nfs/dbraw/zinc/19/71/64/605197164.db2.gz CMPKTCMTHSQILO-UHFFFAOYSA-N -1 0 324.327 3.781 20 0 DHADRM C[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000833621569 605210005 /nfs/dbraw/zinc/21/00/05/605210005.db2.gz JHDPQTLGFYWYRO-PBHICJAKSA-N -1 0 324.380 3.597 20 0 DHADRM CCO[C@@H]1C[C@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCC2 ZINC000833660543 605219882 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CCC(CC)n1nccc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000826582036 605249723 /nfs/dbraw/zinc/24/97/23/605249723.db2.gz VALKETIBKMSPLG-UHFFFAOYSA-N -1 0 316.361 3.586 20 0 DHADRM CC(C)Sc1ccccc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833508045 605253652 /nfs/dbraw/zinc/25/36/52/605253652.db2.gz IDLOZWQTTTZCIY-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CSCc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000829754483 605255661 /nfs/dbraw/zinc/25/56/61/605255661.db2.gz NAUHJUMLUQQDGT-UHFFFAOYSA-N -1 0 303.387 3.647 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000833515689 605261779 /nfs/dbraw/zinc/26/17/79/605261779.db2.gz VPANFEXRHPGXOS-OAHLLOKOSA-N -1 0 317.429 3.501 20 0 DHADRM CC(C)(C)C(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000494879450 605262756 /nfs/dbraw/zinc/26/27/56/605262756.db2.gz RBHHTVRQVSGERG-UHFFFAOYSA-N -1 0 319.401 3.745 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccsc1 ZINC000833410112 605275015 /nfs/dbraw/zinc/27/50/15/605275015.db2.gz VSXHVFFFWDYPCI-MRVPVSSYSA-N -1 0 308.334 3.719 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)C(C)C ZINC000833669492 605277654 /nfs/dbraw/zinc/27/76/54/605277654.db2.gz XNBIWIQSPMLMPB-GFCCVEGCSA-N -1 0 314.382 3.632 20 0 DHADRM CC1(C)CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833559235 605281953 /nfs/dbraw/zinc/28/19/53/605281953.db2.gz WRQGNVOWRUJWAD-SNVBAGLBSA-N -1 0 309.341 3.616 20 0 DHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833614164 605282006 /nfs/dbraw/zinc/28/20/06/605282006.db2.gz XUCOFUWKDMSGBU-CABZTGNLSA-N -1 0 309.341 3.616 20 0 DHADRM C[C@@H]1CC(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC000833592542 605283930 /nfs/dbraw/zinc/28/39/30/605283930.db2.gz CUIXVYUUQSDMSS-UWVGGRQHSA-N -1 0 323.368 3.862 20 0 DHADRM C[C@@H](C(=O)OCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833408994 605284739 /nfs/dbraw/zinc/28/47/39/605284739.db2.gz HFDVPDZGUKVJNV-MRVPVSSYSA-N -1 0 305.157 3.505 20 0 DHADRM Cc1nc(C2CCCCC2)sc1C(=O)OCCCC(=O)[O-] ZINC000833755439 605286133 /nfs/dbraw/zinc/28/61/33/605286133.db2.gz NEAAQGUDTNKCAF-UHFFFAOYSA-N -1 0 311.403 3.521 20 0 DHADRM C[C@@H](Sc1ncccc1C(=O)[O-])c1nc2ccccc2o1 ZINC000833545172 605287477 /nfs/dbraw/zinc/28/74/77/605287477.db2.gz OCWKSCNNEYUNNG-SECBINFHSA-N -1 0 300.339 3.774 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H](F)Cc2ccccc2)cc1Cl ZINC000833783164 605293547 /nfs/dbraw/zinc/29/35/47/605293547.db2.gz WKZRRZDMHKXTBG-CQSZACIVSA-N -1 0 321.735 3.558 20 0 DHADRM O=C([O-])N1CCCc2cc(NC(=O)C34CCC(CC3)C4)ccc21 ZINC000834114587 605316240 /nfs/dbraw/zinc/31/62/40/605316240.db2.gz DMWRIVSHPJFUOK-UHFFFAOYSA-N -1 0 314.385 3.636 20 0 DHADRM Cc1sc(NC(=O)[C@H](C)c2ccccc2)c(C(=O)[O-])c1C ZINC000235113424 605320073 /nfs/dbraw/zinc/32/00/73/605320073.db2.gz GGVBFZFTLVVLDE-SNVBAGLBSA-N -1 0 303.383 3.805 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000833386149 605432491 /nfs/dbraw/zinc/43/24/91/605432491.db2.gz XPBGLBZOPKVTPW-FOWTUZBSSA-N -1 0 323.392 3.512 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385757 605447421 /nfs/dbraw/zinc/44/74/21/605447421.db2.gz VGTIMXQRNGCMGP-ZROIWOOFSA-N -1 0 321.376 3.639 20 0 DHADRM C[C@@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)CC(C)(C)C ZINC000833516637 605455764 /nfs/dbraw/zinc/45/57/64/605455764.db2.gz ZEBWHWFFAROAAY-ZDUSSCGKSA-N -1 0 321.417 3.575 20 0 DHADRM Cc1ccc(-c2noc(C[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000830165807 605476816 /nfs/dbraw/zinc/47/68/16/605476816.db2.gz RFHOZBLSXCXQOR-HNNXBMFYSA-N -1 0 323.352 3.596 20 0 DHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1cc2ccccc2c(Cl)n1 ZINC000825844319 605484704 /nfs/dbraw/zinc/48/47/04/605484704.db2.gz ITAYIQQYEOZRFZ-PWSUYJOCSA-N -1 0 319.792 3.513 20 0 DHADRM O=C([O-])c1occc1CNc1cccc(Oc2ccccn2)c1 ZINC000833785275 605547858 /nfs/dbraw/zinc/54/78/58/605547858.db2.gz NQPRFAUKZMWHMK-UHFFFAOYSA-N -1 0 310.309 3.777 20 0 DHADRM O=C([O-])N[C@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000832113570 605563628 /nfs/dbraw/zinc/56/36/28/605563628.db2.gz 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ZINC000833592515 605603859 /nfs/dbraw/zinc/60/38/59/605603859.db2.gz CCGOHOFRQMQIPP-STQMWFEESA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H]1C[C@H](C(=O)Nc2nc(CCC(=O)[O-])cs2)CC(C)(C)C1 ZINC000833588629 605626076 /nfs/dbraw/zinc/62/60/76/605626076.db2.gz IJFZHRVZMVVWKV-MNOVXSKESA-N -1 0 324.446 3.561 20 0 DHADRM CCc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)oc1CC ZINC000827556312 605692921 /nfs/dbraw/zinc/69/29/21/605692921.db2.gz GVBSPZYTBBKNFZ-UHFFFAOYSA-N -1 0 320.320 3.886 20 0 DHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC2(CCCC2)CC1 ZINC000740040423 605701255 /nfs/dbraw/zinc/70/12/55/605701255.db2.gz FSFSJAGTZNOCNT-UHFFFAOYSA-N -1 0 302.374 3.573 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCCC(F)(F)F)c1 ZINC000834261543 605702205 /nfs/dbraw/zinc/70/22/05/605702205.db2.gz MPDRSELRHXXCTG-UHFFFAOYSA-N -1 0 308.231 3.587 20 0 DHADRM CC(C)=CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833462333 605712963 /nfs/dbraw/zinc/71/29/63/605712963.db2.gz IRBWAYZPBSRUDH-GFCCVEGCSA-N -1 0 303.141 3.629 20 0 DHADRM 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ZINC000036976893 948821962 /nfs/dbraw/zinc/82/19/62/948821962.db2.gz CHVPVECBSFHACO-LBPRGKRZSA-N -1 0 301.367 3.505 20 0 DHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000336852464 971515310 /nfs/dbraw/zinc/51/53/10/971515310.db2.gz QZZNDZCBDLVPRX-OAHLLOKOSA-N -1 0 303.402 3.679 20 0 DHADRM CCCC[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000347260235 971521987 /nfs/dbraw/zinc/52/19/87/971521987.db2.gz LRDBYYHKCXUEGK-SUMWQHHRSA-N -1 0 313.397 3.703 20 0 DHADRM O=C([O-])CCC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC000347318732 971522654 /nfs/dbraw/zinc/52/26/54/971522654.db2.gz KWHINELCEAGTCW-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM CCCC[C@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC000347262862 971522900 /nfs/dbraw/zinc/52/29/00/971522900.db2.gz CKSMCLNRQKFSMG-HOTGVXAUSA-N -1 0 305.418 3.576 20 0 DHADRM CSc1cccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000358604373 971531092 /nfs/dbraw/zinc/53/10/92/971531092.db2.gz FVYFVPMATAHIQO-UHFFFAOYSA-N -1 0 319.357 3.522 20 0 DHADRM 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951089831 /nfs/dbraw/zinc/08/98/31/951089831.db2.gz DNLNTYWPPWQETR-QGZVFWFLSA-N -1 0 323.392 3.533 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(SC)c2)C1 ZINC000387745804 951320909 /nfs/dbraw/zinc/32/09/09/951320909.db2.gz YWKYSXYRSZQIFS-MRXNPFEDSA-N -1 0 322.430 3.517 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC001595027781 951357418 /nfs/dbraw/zinc/35/74/18/951357418.db2.gz MCPJEZGTSFULEO-UHFFFAOYSA-N -1 0 324.789 3.657 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1 ZINC001595065370 951541376 /nfs/dbraw/zinc/54/13/76/951541376.db2.gz KCLYNRQLTADGBA-INIZCTEOSA-N -1 0 316.401 3.500 20 0 DHADRM O=C([O-])CCc1cccc(NCc2nc3cc(F)ccc3o2)c1 ZINC001595066320 951551061 /nfs/dbraw/zinc/55/10/61/951551061.db2.gz IECGOZAMHALZDE-UHFFFAOYSA-N -1 0 314.316 3.596 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001602916784 971873596 /nfs/dbraw/zinc/87/35/96/971873596.db2.gz IQIDNCJPGWULCR-UHFFFAOYSA-N -1 0 319.401 3.585 20 0 DHADRM 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CC[C@H](C(=O)Nc1sccc1C(=O)[O-])c1ccc(F)cc1 ZINC001589431509 954650633 /nfs/dbraw/zinc/65/06/33/954650633.db2.gz YGXTWNJRMKRMJG-NSHDSACASA-N -1 0 307.346 3.718 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 ZINC001589432189 954653361 /nfs/dbraw/zinc/65/33/61/954653361.db2.gz DKGVROLNJRAWLR-INIZCTEOSA-N -1 0 317.429 3.553 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001589433998 954677295 /nfs/dbraw/zinc/67/72/95/954677295.db2.gz VLLHQRFALZQHNJ-KRWDZBQOSA-N -1 0 319.445 3.529 20 0 DHADRM CC(C)C1CCC(CNC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001602999008 972034584 /nfs/dbraw/zinc/03/45/84/972034584.db2.gz AQWIJAGTYIIBAV-UHFFFAOYSA-N -1 0 317.429 3.506 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)Nc2c[nH]nc2C(=O)[O-])CC1 ZINC001589446482 954766138 /nfs/dbraw/zinc/76/61/38/954766138.db2.gz AKKFGYONUDMXET-UHFFFAOYSA-N -1 0 321.421 3.679 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001603000694 972041222 /nfs/dbraw/zinc/04/12/22/972041222.db2.gz XLCNNESLEXIIFJ-GXTWGEPZSA-N -1 0 304.390 3.721 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589451139 954799613 /nfs/dbraw/zinc/79/96/13/954799613.db2.gz CAJIGLONYZQECM-ZIAGYGMSSA-N -1 0 317.429 3.557 20 0 DHADRM CCC(CC)(CNC(=O)N[C@@H](C1CCC1)C1CCCC1)C(=O)[O-] ZINC001589489421 955009837 /nfs/dbraw/zinc/00/98/37/955009837.db2.gz KEFYULVCGMEBTC-OAHLLOKOSA-N -1 0 324.465 3.536 20 0 DHADRM CC[C@H](CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001589518781 955082252 /nfs/dbraw/zinc/08/22/52/955082252.db2.gz UOVNXRXEKQEGLO-MHHRXVLKSA-N -1 0 321.461 3.600 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589546652 955202442 /nfs/dbraw/zinc/20/24/42/955202442.db2.gz SZMKBRPIXHRBSH-ZDUSSCGKSA-N -1 0 312.369 3.700 20 0 DHADRM CC[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589546651 955202774 /nfs/dbraw/zinc/20/27/74/955202774.db2.gz SZMKBRPIXHRBSH-CYBMUJFWSA-N -1 0 312.369 3.700 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001603018620 972079040 /nfs/dbraw/zinc/07/90/40/972079040.db2.gz WEAKCVMDMVZXMF-HNNXBMFYSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)CCCCCCNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603021638 972081210 /nfs/dbraw/zinc/08/12/10/972081210.db2.gz SRIFSUWBQSZJAE-CMDGGOBGSA-N -1 0 307.390 3.714 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000769527523 955321118 /nfs/dbraw/zinc/32/11/18/955321118.db2.gz NFTBDIVMUXIVOP-ZIAGYGMSSA-N -1 0 303.402 3.527 20 0 DHADRM Cc1oc2ccccc2c1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594505630 955354104 /nfs/dbraw/zinc/35/41/04/955354104.db2.gz DBZGXEMYGGRVBA-UHFFFAOYSA-N -1 0 324.332 3.725 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=S)Nc1ccccc1-c1ccccc1 ZINC001589004719 955355875 /nfs/dbraw/zinc/35/58/75/955355875.db2.gz PWRXXWDNWYKOHR-GFCCVEGCSA-N -1 0 314.410 3.503 20 0 DHADRM C[C@@H](CC(=O)[O-])Nc1ncnc2scc(-c3cccs3)c21 ZINC001589009435 955386910 /nfs/dbraw/zinc/38/69/10/955386910.db2.gz VKVABQRWXSEACI-QMMMGPOBSA-N -1 0 319.411 3.695 20 0 DHADRM O=C([O-])[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000818329088 955393536 /nfs/dbraw/zinc/39/35/36/955393536.db2.gz NARBNFNFIJUPRH-JQWIXIFHSA-N -1 0 314.212 3.649 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000386971317 972094102 /nfs/dbraw/zinc/09/41/02/972094102.db2.gz XGLOMKANIJKAJS-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589014890 955425970 /nfs/dbraw/zinc/42/59/70/955425970.db2.gz VTPLIUAREIKVLI-YIYPIFLZSA-N -1 0 311.466 3.700 20 0 DHADRM O=C([O-])CCCCCNC(=O)N1CCC(C2CCCCC2)CC1 ZINC000840992078 955574769 /nfs/dbraw/zinc/57/47/69/955574769.db2.gz GOAXINADXHGMJF-UHFFFAOYSA-N -1 0 324.465 3.633 20 0 DHADRM Cc1c(NC(=O)/C=C/c2ccccc2Cl)cccc1C(=O)[O-] ZINC000387304779 972117321 /nfs/dbraw/zinc/11/73/21/972117321.db2.gz OALYEZHQWVFVPE-MDZDMXLPSA-N -1 0 315.756 3.999 20 0 DHADRM Cn1ccc(C(=O)Nc2ccccc2C(=O)[O-])c1-c1ccccc1 ZINC001594549753 955715961 /nfs/dbraw/zinc/71/59/61/955715961.db2.gz RGSARCUVLDEUCD-UHFFFAOYSA-N -1 0 320.348 3.643 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589084809 955891652 /nfs/dbraw/zinc/89/16/52/955891652.db2.gz IJVLUFUYVHAIPY-NSHDSACASA-N -1 0 317.307 3.623 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589084929 955893308 /nfs/dbraw/zinc/89/33/08/955893308.db2.gz MJPILOJCSVSXBN-INIZCTEOSA-N -1 0 309.312 3.548 20 0 DHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(C2CC2)c1 ZINC001589088419 955918758 /nfs/dbraw/zinc/91/87/58/955918758.db2.gz UWPXJKUBZNFPJI-SJKOYZFVSA-N -1 0 315.413 3.632 20 0 DHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(F)c1F ZINC001589109012 956055072 /nfs/dbraw/zinc/05/50/72/956055072.db2.gz ROWOCDGBXMKSIN-VIFPVBQESA-N -1 0 320.295 3.546 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1Cl ZINC000262511888 1017332567 /nfs/dbraw/zinc/33/25/67/1017332567.db2.gz MIIYUSYEJZVXAC-HNNXBMFYSA-N -1 0 323.820 3.798 20 0 DHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCC3(CCCCC3)C2)co1 ZINC000901597383 956363361 /nfs/dbraw/zinc/36/33/61/956363361.db2.gz OVDDPRATHKZPNS-WAYWQWQTSA-N -1 0 317.385 3.564 20 0 DHADRM Cc1cc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000901640249 956399226 /nfs/dbraw/zinc/39/92/26/956399226.db2.gz RKLUUVMMKFKDDF-CYBMUJFWSA-N -1 0 315.394 3.584 20 0 DHADRM C[C@H](SCCCc1ccccc1Br)C(=O)[O-] ZINC001589168903 956449243 /nfs/dbraw/zinc/44/92/43/956449243.db2.gz BDZZKYFKMIRAFP-VIFPVBQESA-N -1 0 303.221 3.588 20 0 DHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589175562 956496958 /nfs/dbraw/zinc/49/69/58/956496958.db2.gz GMDZIOYGFXTAIH-LBPRGKRZSA-N -1 0 316.357 3.522 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902076077 956643603 /nfs/dbraw/zinc/64/36/03/956643603.db2.gz DZOSEXXQQADHLA-HJWRWDBZSA-N -1 0 307.390 3.666 20 0 DHADRM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cccc(C(=O)[O-])c1 ZINC001594675485 956656710 /nfs/dbraw/zinc/65/67/10/956656710.db2.gz WPJZMSMHYBHUJE-FNORWQNLSA-N -1 0 306.321 3.518 20 0 DHADRM CC1(C)CC(C)(C)c2cc(NC(=O)[C@@H](C(=O)[O-])C3CC3)ccc21 ZINC001589212985 956710148 /nfs/dbraw/zinc/71/01/48/956710148.db2.gz AQMDMEOYRHYPHI-HNNXBMFYSA-N -1 0 315.413 3.695 20 0 DHADRM CC1(C)CCc2c(sc(NC(=O)CCCF)c2C(=O)[O-])C1 ZINC001589227479 956812054 /nfs/dbraw/zinc/81/20/54/956812054.db2.gz YXPFOCOZWRAVNP-UHFFFAOYSA-N -1 0 313.394 3.649 20 0 DHADRM Cc1cc2occ(CC(=O)Nc3ccccc3C(=O)[O-])c2cc1C ZINC000013166079 956946429 /nfs/dbraw/zinc/94/64/29/956946429.db2.gz AXQUVBTWISRMFT-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013095066 956947311 /nfs/dbraw/zinc/94/73/11/956947311.db2.gz DWXKMJQBMGWNDW-UHFFFAOYSA-N -1 0 315.394 3.814 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1ccccc1Cl ZINC000013187565 956971146 /nfs/dbraw/zinc/97/11/46/956971146.db2.gz GCNWXARSQWBMAH-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001589253494 956974167 /nfs/dbraw/zinc/97/41/67/956974167.db2.gz RXBYAYLSHWJRKX-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM O=C([O-])C1(NC(=O)C2CC3(C2)CCCCC3)CCCCCC1 ZINC001594721592 956974562 /nfs/dbraw/zinc/97/45/62/956974562.db2.gz NJWTVNWLEIFWAT-UHFFFAOYSA-N -1 0 307.434 3.641 20 0 DHADRM C[C@@H](CCNC(=O)c1coc(/C=C/C(=O)[O-])c1)CC(C)(C)C ZINC001603142414 972233829 /nfs/dbraw/zinc/23/38/29/972233829.db2.gz AYEFPCFNUMZYMN-FYJFLYSWSA-N -1 0 307.390 3.570 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388910 957040547 /nfs/dbraw/zinc/04/05/47/957040547.db2.gz HCVJVCWYIXAHNO-AWEZNQCLSA-N -1 0 317.410 3.817 20 0 DHADRM Cc1cc(C)cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC000013390402 957043697 /nfs/dbraw/zinc/04/36/97/957043697.db2.gz NJHBIQRBUDZMLP-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM COc1cc(COc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC000013419221 957058967 /nfs/dbraw/zinc/05/89/67/957058967.db2.gz PPYBCIPUFNXZBK-UHFFFAOYSA-N -1 0 324.279 3.574 20 0 DHADRM O=C([O-])Cc1ccc(OCc2cccc(Br)c2)cc1 ZINC000013421216 957065486 /nfs/dbraw/zinc/06/54/86/957065486.db2.gz WMZUFIRNICHVFO-UHFFFAOYSA-N -1 0 321.170 3.655 20 0 DHADRM Cc1c2ccccc2oc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000013440530 957077831 /nfs/dbraw/zinc/07/78/31/957077831.db2.gz ZFJLZWCWPCUTHQ-UHFFFAOYSA-N -1 0 309.321 3.716 20 0 DHADRM CN(C(=O)CCSc1ccccc1)c1ccccc1C(=O)[O-] ZINC000013441394 957081494 /nfs/dbraw/zinc/08/14/94/957081494.db2.gz ATULFWQNFRWJHV-UHFFFAOYSA-N -1 0 315.394 3.530 20 0 DHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2ccccc2)cc1 ZINC000013465132 957094447 /nfs/dbraw/zinc/09/44/47/957094447.db2.gz WHPJQMFPNKXBLR-UHFFFAOYSA-N -1 0 315.394 3.647 20 0 DHADRM CC(C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1 ZINC000029011047 957165118 /nfs/dbraw/zinc/16/51/18/957165118.db2.gz NWSNNVOLMXOODU-MRXNPFEDSA-N -1 0 309.381 3.530 20 0 DHADRM O=C([O-])c1ccccc1OCCSc1ccc(F)cc1F ZINC000035731874 957222707 /nfs/dbraw/zinc/22/27/07/957222707.db2.gz IZVJOQQUIFRVKJ-UHFFFAOYSA-N -1 0 310.321 3.834 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000035995032 957224598 /nfs/dbraw/zinc/22/45/98/957224598.db2.gz GDETZNFHWMVBFB-AWEZNQCLSA-N -1 0 303.402 3.853 20 0 DHADRM Cc1cc(CSc2ccc(C(F)(F)F)cn2)oc1C(=O)[O-] ZINC000036811072 957237647 /nfs/dbraw/zinc/23/76/47/957237647.db2.gz GUWQCGHPHCXVLK-UHFFFAOYSA-N -1 0 317.288 3.992 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001327074047 957336161 /nfs/dbraw/zinc/33/61/61/957336161.db2.gz UPDZZPOINAUDHK-SNVBAGLBSA-N -1 0 321.320 3.594 20 0 DHADRM Cc1sc2nc(C)nc(SCCCCC(=O)[O-])c2c1C ZINC000057838165 957554586 /nfs/dbraw/zinc/55/45/86/957554586.db2.gz PRFQPEZGXXTWKX-UHFFFAOYSA-N -1 0 310.444 3.964 20 0 DHADRM C=C(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000059991954 957569676 /nfs/dbraw/zinc/56/96/76/957569676.db2.gz YAVWYPYJCRNAFM-KRWDZBQOSA-N -1 0 309.365 3.503 20 0 DHADRM Cc1cccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC000062469413 957603092 /nfs/dbraw/zinc/60/30/92/957603092.db2.gz HWDDZRFSVYYCFY-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])nc2ccccc12 ZINC001594281255 957746755 /nfs/dbraw/zinc/74/67/55/957746755.db2.gz CNTVYCTVPDJSNE-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3ccccc3s2)c1 ZINC001594289443 957814806 /nfs/dbraw/zinc/81/48/06/957814806.db2.gz WPJLANXWGZYGGL-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Cl)c(F)c2F)cc1 ZINC001574796886 957826231 /nfs/dbraw/zinc/82/62/31/957826231.db2.gz SFRANSWIKNAOEQ-UHFFFAOYSA-N -1 0 312.655 3.536 20 0 DHADRM Cc1cc([C@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c(C)s1 ZINC001594290551 957827290 /nfs/dbraw/zinc/82/72/90/957827290.db2.gz XGBCJZYHHIERPM-JTQLQIEISA-N -1 0 323.458 3.679 20 0 DHADRM Cc1cccc([C@H](NC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC001594298241 957883902 /nfs/dbraw/zinc/88/39/02/957883902.db2.gz IHMFZTGPUXMLQG-INIZCTEOSA-N -1 0 312.369 3.559 20 0 DHADRM Cc1cc(Cl)ccc1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594307963 957986050 /nfs/dbraw/zinc/98/60/50/957986050.db2.gz GZSMSTJCZSSVCT-HYXAFXHYSA-N -1 0 306.701 3.558 20 0 DHADRM COc1cc(C(=O)Nc2c(C)cccc2C(=O)[O-])ccc1Cl ZINC001594050901 957988848 /nfs/dbraw/zinc/98/88/48/957988848.db2.gz QQZGMKUKRSAGOA-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594310393 958005782 /nfs/dbraw/zinc/00/57/82/958005782.db2.gz SCJGECYPJAQVOL-YVEFUNNKSA-N -1 0 306.333 3.549 20 0 DHADRM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594311435 958027588 /nfs/dbraw/zinc/02/75/88/958027588.db2.gz BWJUXNRIQVBQGH-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM C[C@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603207292 972316411 /nfs/dbraw/zinc/31/64/11/972316411.db2.gz NWJINFGOKSXXHJ-LLVKDONJSA-N -1 0 318.398 3.541 20 0 DHADRM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c2n[nH]cc21 ZINC001594323420 958142844 /nfs/dbraw/zinc/14/28/44/958142844.db2.gz KYTPTRSVIZLTAA-UHFFFAOYSA-N -1 0 324.340 3.522 20 0 DHADRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnc1Cl ZINC001594323906 958146915 /nfs/dbraw/zinc/14/69/15/958146915.db2.gz ZDZFFHOMHRDBNE-UHFFFAOYSA-N -1 0 319.748 3.694 20 0 DHADRM COc1cc(SC)ccc1NCc1cccc(C(=O)[O-])c1 ZINC001594067438 958149116 /nfs/dbraw/zinc/14/91/16/958149116.db2.gz ASRVDCGXCLJSME-UHFFFAOYSA-N -1 0 303.383 3.727 20 0 DHADRM Cc1cc2cc[nH]c2cc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594331335 958223527 /nfs/dbraw/zinc/22/35/27/958223527.db2.gz ZREJFOLDZOHBQW-UHFFFAOYSA-N -1 0 314.385 3.552 20 0 DHADRM Cc1cc2oc(=O)cc(CSCC(=O)[O-])c2cc1C(C)C ZINC001594332727 958243530 /nfs/dbraw/zinc/24/35/30/958243530.db2.gz GEDVVWPUXWRCBX-UHFFFAOYSA-N -1 0 306.383 3.543 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000391384863 972332173 /nfs/dbraw/zinc/33/21/73/972332173.db2.gz YKPQZAZCJVTTEL-INIZCTEOSA-N -1 0 317.429 3.773 20 0 DHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC001552981736 958319167 /nfs/dbraw/zinc/31/91/67/958319167.db2.gz HQBIHAKRTBURJH-GUYCJALGSA-N -1 0 315.413 3.527 20 0 DHADRM Cc1cc(C(=O)NCc2ccc(O)c(F)c2)c2nccc(C)c2c1 ZINC000339960597 1013173870 /nfs/dbraw/zinc/17/38/70/1013173870.db2.gz SJUVHVFWYWJEDM-UHFFFAOYSA-N -1 0 324.355 3.626 20 0 DHADRM COc1ccc(CSCCC2(C(=O)[O-])CCC2)c(OC)c1 ZINC001594095706 958397192 /nfs/dbraw/zinc/39/71/92/958397192.db2.gz AYHRJKWDMXSHEJ-UHFFFAOYSA-N -1 0 310.415 3.582 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001573339648 958531416 /nfs/dbraw/zinc/53/14/16/958531416.db2.gz HCCYUYTWXNTUED-SKAFSBIRSA-N -1 0 309.450 3.622 20 0 DHADRM Cc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC001594372560 958546446 /nfs/dbraw/zinc/54/64/46/958546446.db2.gz CFKMNFLXVYACLB-RDJZCZTQSA-N -1 0 324.380 3.738 20 0 DHADRM C/C(=C\C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588479704 958579285 /nfs/dbraw/zinc/57/92/85/958579285.db2.gz ATANMZOLUOLUOF-GUCAUAJOSA-N -1 0 323.392 3.515 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573389364 958685150 /nfs/dbraw/zinc/68/51/50/958685150.db2.gz DGOMHXUJQMVRNI-CHWSQXEVSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001573389749 958687954 /nfs/dbraw/zinc/68/79/54/958687954.db2.gz FXBBYRWGNFLTIU-JTQLQIEISA-N -1 0 321.270 3.530 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001594387910 958692163 /nfs/dbraw/zinc/69/21/63/958692163.db2.gz MIGNKDJPALXFCI-JTQLQIEISA-N -1 0 319.307 3.714 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001573390351 958692276 /nfs/dbraw/zinc/69/22/76/958692276.db2.gz JUDFUHCWRFDVMA-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001594388212 958693659 /nfs/dbraw/zinc/69/36/59/958693659.db2.gz QSRRRWPTYSYGQC-KDOFPFPSSA-N -1 0 313.328 3.517 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573391921 958708085 /nfs/dbraw/zinc/70/80/85/958708085.db2.gz ZRJJOGCZUGLSCY-GBJTYRQASA-N -1 0 309.450 3.599 20 0 DHADRM Cc1cccc([C@@H](NC(=O)/C(F)=C/C2CCCCC2)C(=O)[O-])c1 ZINC001594390621 958710996 /nfs/dbraw/zinc/71/09/96/958710996.db2.gz YPRHHDSRWZBLCE-UVQBRAAOSA-N -1 0 319.376 3.671 20 0 DHADRM Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])s1)C[C@H](C)O2 ZINC001594390672 958713210 /nfs/dbraw/zinc/71/32/10/958713210.db2.gz SXBJWVSXRUMMGK-NSHDSACASA-N -1 0 303.383 3.542 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2scnc2c1 ZINC001594390751 958714620 /nfs/dbraw/zinc/71/46/20/958714620.db2.gz AMEFXOAXLNHNBN-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(Cl)c1F ZINC001594390838 958716884 /nfs/dbraw/zinc/71/68/84/958716884.db2.gz GVSBONWFLACPDI-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C(=O)[O-])c1 ZINC001594391535 958730237 /nfs/dbraw/zinc/73/02/37/958730237.db2.gz GOKQLYHNAPURMG-XJKSGUPXSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2cccc(Cl)c2C)C(=O)[O-])c1 ZINC001594398961 958816944 /nfs/dbraw/zinc/81/69/44/958816944.db2.gz HOEHXPZTPSUPNQ-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1Cl ZINC001594405671 958903559 /nfs/dbraw/zinc/90/35/59/958903559.db2.gz PCVCWIFHECYPGJ-VURMDHGXSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594410974 958947384 /nfs/dbraw/zinc/94/73/84/958947384.db2.gz GYDFCVSFIWFYIM-STQMWFEESA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)(CCNC(=O)N[C@H](C1CCC1)C1CCCCC1)C(=O)[O-] ZINC001573474214 958950127 /nfs/dbraw/zinc/95/01/27/958950127.db2.gz IWVSQRYZCGIDFM-HNNXBMFYSA-N -1 0 324.465 3.536 20 0 DHADRM Cc1cccc2sc(N3CCC[C@H](CCC(=O)[O-])C3)nc21 ZINC001594413517 958970920 /nfs/dbraw/zinc/97/09/20/958970920.db2.gz FRXKGASVGHFVCE-GFCCVEGCSA-N -1 0 304.415 3.686 20 0 DHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594417704 959022433 /nfs/dbraw/zinc/02/24/33/959022433.db2.gz PHTXTLQMBKATLE-GDBMZVCRSA-N -1 0 319.445 3.569 20 0 DHADRM CSCCCCCCC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594184427 959104896 /nfs/dbraw/zinc/10/48/96/959104896.db2.gz GTNWFZFNWZBDNY-UHFFFAOYSA-N -1 0 310.415 3.742 20 0 DHADRM CC(C)CCc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001573517897 959112804 /nfs/dbraw/zinc/11/28/04/959112804.db2.gz IFRSKCUVTCCTAF-GOSISDBHSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)CN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001573522258 959124747 /nfs/dbraw/zinc/12/47/47/959124747.db2.gz DFZUQSUNFKPFNI-UHFFFAOYSA-N -1 0 311.381 3.683 20 0 DHADRM CSc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001594193052 959174294 /nfs/dbraw/zinc/17/42/94/959174294.db2.gz LWPDDSJSEVBHGP-GFCCVEGCSA-N -1 0 321.442 3.621 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001594195271 959191975 /nfs/dbraw/zinc/19/19/75/959191975.db2.gz WQOQIHDFXKLKEG-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1cccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1C ZINC001594196806 959202218 /nfs/dbraw/zinc/20/22/18/959202218.db2.gz YLJFGEAPVVBKQW-SREVYHEPSA-N -1 0 317.366 3.660 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001594199871 959239255 /nfs/dbraw/zinc/23/92/55/959239255.db2.gz FHONBDVWYWOQBL-LLVKDONJSA-N -1 0 309.793 3.552 20 0 DHADRM Cc1coc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc12 ZINC001594436359 959240929 /nfs/dbraw/zinc/24/09/29/959240929.db2.gz YPQOAIKAMBBSQG-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CC(C)[C@@H](NC(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001573558201 959259454 /nfs/dbraw/zinc/25/94/54/959259454.db2.gz IYCQFGFCMMWBER-MRXNPFEDSA-N -1 0 312.369 3.584 20 0 DHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)CCC(=O)[O-] ZINC000179076911 959431630 /nfs/dbraw/zinc/43/16/30/959431630.db2.gz MZZXLWYDYDOJQO-UHFFFAOYSA-N -1 0 315.394 3.950 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000190616128 959514681 /nfs/dbraw/zinc/51/46/81/959514681.db2.gz AIWJGVNYCYCEHY-OAHLLOKOSA-N -1 0 303.402 3.550 20 0 DHADRM Cc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1C(=O)[O-] ZINC000191033836 959535901 /nfs/dbraw/zinc/53/59/01/959535901.db2.gz BVSANBYAZLQYJR-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000192862054 959592073 /nfs/dbraw/zinc/59/20/73/959592073.db2.gz FMLMKJHAECQBKP-YOEHRIQHSA-N -1 0 311.381 3.512 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192996008 959605584 /nfs/dbraw/zinc/60/55/84/959605584.db2.gz VPCQTAAWAXTWPI-CYBMUJFWSA-N -1 0 323.437 3.638 20 0 DHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccccc2)ccc1Cl ZINC000206599262 959660399 /nfs/dbraw/zinc/66/03/99/959660399.db2.gz PNDCSGBTPOWANH-TWGQIWQCSA-N -1 0 301.729 3.690 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC001588641131 959696541 /nfs/dbraw/zinc/69/65/41/959696541.db2.gz XBVBMYCZQDAOCV-SNVBAGLBSA-N -1 0 305.157 3.646 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594262623 959710041 /nfs/dbraw/zinc/71/00/41/959710041.db2.gz OVQUPCDIJHARJL-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC001588643445 959716151 /nfs/dbraw/zinc/71/61/51/959716151.db2.gz QHKRSLJDVKTGMZ-LOACHALJSA-N -1 0 307.434 3.615 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588643726 959717529 /nfs/dbraw/zinc/71/75/29/959717529.db2.gz SXSQKSWDCLFKON-AYPKIECRSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C\CCc1ccccc1)C(=O)[O-] ZINC001588645975 959737107 /nfs/dbraw/zinc/73/71/07/959737107.db2.gz TYMJRRKRMUKVRM-IYCSXQJISA-N -1 0 317.429 3.571 20 0 DHADRM O=C([O-])c1cc(NC(=O)C2CCC(F)(F)CC2)ccc1Cl ZINC000216047354 959761078 /nfs/dbraw/zinc/76/10/78/959761078.db2.gz XJEFPUGCYWCTRE-UHFFFAOYSA-N -1 0 317.719 3.802 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CC(C1CCC1)C1CCC1 ZINC001588652606 959779705 /nfs/dbraw/zinc/77/97/05/959779705.db2.gz MASHCUDGFNDQAQ-UHFFFAOYSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c21 ZINC001573698186 959800360 /nfs/dbraw/zinc/80/03/60/959800360.db2.gz IURSJUGRVUXYKY-QJPTWQEYSA-N -1 0 301.386 3.521 20 0 DHADRM CN(C)c1cc(NCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001604083605 972483357 /nfs/dbraw/zinc/48/33/57/972483357.db2.gz RWYCUKLWNGIGJN-UHFFFAOYSA-N -1 0 304.777 3.716 20 0 DHADRM CSc1ccc(C)c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574256822 960533249 /nfs/dbraw/zinc/53/32/49/960533249.db2.gz BPNRIYNWPNZOGQ-AWEZNQCLSA-N -1 0 323.458 3.726 20 0 DHADRM Cc1ccc(F)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197112249 960573433 /nfs/dbraw/zinc/57/34/33/960573433.db2.gz QQLPQDLGMWTIIW-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM CC[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCC(C)CC1 ZINC001573758182 960581059 /nfs/dbraw/zinc/58/10/59/960581059.db2.gz GOSSCBQECCPMPY-FJBKBRRZSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001573758441 960585875 /nfs/dbraw/zinc/58/58/75/960585875.db2.gz LKRZEJCUFVNZMM-AWEZNQCLSA-N -1 0 313.353 3.526 20 0 DHADRM CC[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001573760230 960610213 /nfs/dbraw/zinc/61/02/13/960610213.db2.gz WSWNVWQFBNROHM-ORHYLEIMSA-N -1 0 304.390 3.571 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3cccc(Cl)c3C2)s1 ZINC001231466850 960616783 /nfs/dbraw/zinc/61/67/83/960616783.db2.gz LLIHUGGQKHQZAH-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM C[C@@H]1C[C@@H](OC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001574280493 960640184 /nfs/dbraw/zinc/64/01/84/960640184.db2.gz KYEUFSVXBSMPDH-IUODEOHRSA-N -1 0 320.385 3.522 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001573769888 960655241 /nfs/dbraw/zinc/65/52/41/960655241.db2.gz GYVYSRWGEGETHV-UONOGXRCSA-N -1 0 317.429 3.557 20 0 DHADRM CC[C@@H](CC(=O)Nc1cccnc1C(=O)[O-])c1ccc(C)cc1 ZINC001573776412 960686780 /nfs/dbraw/zinc/68/67/80/960686780.db2.gz QCYQWOBWBONIEQ-ZDUSSCGKSA-N -1 0 312.369 3.611 20 0 DHADRM CCCCCC[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236714059 960740542 /nfs/dbraw/zinc/74/05/42/960740542.db2.gz QNAKTKWQQOWHMB-AWEZNQCLSA-N -1 0 305.418 3.793 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)NCCCCCC(=O)[O-])cc1 ZINC000236744411 960748775 /nfs/dbraw/zinc/74/87/75/960748775.db2.gz CVMNCSFMQWAJOQ-UHFFFAOYSA-N -1 0 319.445 3.678 20 0 DHADRM CC1(C)CC[C@H](NC(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000236749302 960751125 /nfs/dbraw/zinc/75/11/25/960751125.db2.gz FZJWNYIIXZHSSH-ZDUSSCGKSA-N -1 0 313.353 3.520 20 0 DHADRM CCCCCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000236834706 960770750 /nfs/dbraw/zinc/77/07/50/960770750.db2.gz ZGPJMQKGSZQXTE-UHFFFAOYSA-N -1 0 309.431 3.913 20 0 DHADRM CCCCC[C@@H](NC(=O)c1csc2ccccc12)C(=O)[O-] ZINC000236841685 960772645 /nfs/dbraw/zinc/77/26/45/960772645.db2.gz RHPAHODJQBBWKO-CYBMUJFWSA-N -1 0 305.399 3.665 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001574316319 960792327 /nfs/dbraw/zinc/79/23/27/960792327.db2.gz YRKLQTFCVSIKQA-HUUCEWRRSA-N -1 0 303.402 3.638 20 0 DHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H](C)C2 ZINC001574318030 960800915 /nfs/dbraw/zinc/80/09/15/960800915.db2.gz IGKWAEUFXRXCTE-ACJLOTCBSA-N -1 0 323.392 3.665 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H](C)c2ccc(Cl)cn2)c1 ZINC001574319146 960812006 /nfs/dbraw/zinc/81/20/06/960812006.db2.gz HDCSKWXSJUOCSE-SNVBAGLBSA-N -1 0 319.744 3.660 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC000236990324 960828172 /nfs/dbraw/zinc/82/81/72/960828172.db2.gz IEXQCNYEIFBYQR-UGSOOPFHSA-N -1 0 305.418 3.502 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000655550491 1013204229 /nfs/dbraw/zinc/20/42/29/1013204229.db2.gz VBDSWTZOGHPGFB-UHFFFAOYSA-N -1 0 317.307 3.765 20 0 DHADRM CC[C@@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001573804280 960841488 /nfs/dbraw/zinc/84/14/88/960841488.db2.gz OXGGGBOLQFGMGW-AWEZNQCLSA-N -1 0 311.381 3.617 20 0 DHADRM CC[C@@H](CNC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001573805787 960861449 /nfs/dbraw/zinc/86/14/49/960861449.db2.gz XWVUCZJMDVDWFD-LBPRGKRZSA-N -1 0 319.426 3.667 20 0 DHADRM CC[C@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001573810257 960883415 /nfs/dbraw/zinc/88/34/15/960883415.db2.gz CKYIWRNXPGBVHK-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC001574341548 960941930 /nfs/dbraw/zinc/94/19/30/960941930.db2.gz XETNUDZTMSZNKN-IAGOWNOFSA-N -1 0 309.365 3.711 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C)OC2CCCCCC2)cc1C(=O)[O-] ZINC000237559550 960961192 /nfs/dbraw/zinc/96/11/92/960961192.db2.gz WLXZRQYIECABKD-ZDUSSCGKSA-N -1 0 319.401 3.760 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccccc1)C(=O)[O-] ZINC000237564910 960963132 /nfs/dbraw/zinc/96/31/32/960963132.db2.gz IKMVWHCDJYYHEJ-NSHDSACASA-N -1 0 301.367 3.504 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001573822486 960973768 /nfs/dbraw/zinc/97/37/68/960973768.db2.gz MWZNXWBNROAAPW-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(F)c1Cl ZINC001574356882 961005930 /nfs/dbraw/zinc/00/59/30/961005930.db2.gz HYDAAYDLHCZXMJ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC001322784051 961013957 /nfs/dbraw/zinc/01/39/57/961013957.db2.gz JEPMZDYWVNOQEU-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573830882 961018951 /nfs/dbraw/zinc/01/89/51/961018951.db2.gz VZPOEIRUCSPKIU-ZIAGYGMSSA-N -1 0 303.402 3.639 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000237798885 961025630 /nfs/dbraw/zinc/02/56/30/961025630.db2.gz UMKFCUXFQUQTEG-CYBMUJFWSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1ccc(CN(CC(C)C)C(=O)[C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC001574366424 961038805 /nfs/dbraw/zinc/03/88/05/961038805.db2.gz DWWQYCDBPDJGRJ-KRWDZBQOSA-N -1 0 319.445 3.645 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573836314 961054466 /nfs/dbraw/zinc/05/44/66/961054466.db2.gz PRPBNFVSVOYUBS-KXBFYZLASA-N -1 0 319.445 3.608 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573840693 961068609 /nfs/dbraw/zinc/06/86/09/961068609.db2.gz HCAWDGDSYHMZAJ-CJNGLKHVSA-N -1 0 318.417 3.543 20 0 DHADRM CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001573841387 961080406 /nfs/dbraw/zinc/08/04/06/961080406.db2.gz SBARJOUMJVWJGJ-CYBMUJFWSA-N -1 0 306.406 3.601 20 0 DHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@H](C)c1ccccc1OC ZINC001573848597 961111220 /nfs/dbraw/zinc/11/12/20/961111220.db2.gz PFQBNAICPMFPEI-CQSZACIVSA-N -1 0 321.417 3.640 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000238131900 961119974 /nfs/dbraw/zinc/11/99/74/961119974.db2.gz QRTUNAJUWXGNNV-UHFFFAOYSA-N -1 0 323.320 3.952 20 0 DHADRM CC(C)(C)OCc1ccc(NC(=O)CCCCC(=O)[O-])cc1 ZINC001588734603 961123974 /nfs/dbraw/zinc/12/39/74/961123974.db2.gz HLAFOGIDGUDXOY-UHFFFAOYSA-N -1 0 307.390 3.585 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001588739391 961150693 /nfs/dbraw/zinc/15/06/93/961150693.db2.gz FIDWJFAUWYYVRA-AWEZNQCLSA-N -1 0 317.410 3.601 20 0 DHADRM O=C(/C=C/c1nc2ccccc2s1)Nc1cccc(C(=O)[O-])c1 ZINC000238225784 961166185 /nfs/dbraw/zinc/16/61/85/961166185.db2.gz XWIGEPUFXIJAOQ-CMDGGOBGSA-N -1 0 324.361 3.646 20 0 DHADRM COc1cccc(-c2[n-]n([C@H](C)c3ccccc3)c(=O)c2C)c1 ZINC000634599466 1013237010 /nfs/dbraw/zinc/23/70/10/1013237010.db2.gz JDOCHXVZPFHHQI-ZIAGYGMSSA-N -1 0 308.381 3.639 20 0 DHADRM Cc1ccccc1C(F)(F)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001574401415 961232400 /nfs/dbraw/zinc/23/24/00/961232400.db2.gz FORUAMFXHWAHPK-UHFFFAOYSA-N -1 0 320.291 3.528 20 0 DHADRM Cc1cccc2sc(N[C@@H](Cc3ccccc3)C(=O)[O-])nc21 ZINC001574402394 961241687 /nfs/dbraw/zinc/24/16/87/961241687.db2.gz IOADECKZXRVILQ-ZDUSSCGKSA-N -1 0 312.394 3.713 20 0 DHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1sccc1C(=O)[O-] ZINC001574443993 961437903 /nfs/dbraw/zinc/43/79/03/961437903.db2.gz NEVOTVDVPOQYTK-UHFFFAOYSA-N -1 0 319.260 3.619 20 0 DHADRM CC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000262091683 961449698 /nfs/dbraw/zinc/44/96/98/961449698.db2.gz COXMDZGECKCTLC-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000262098906 961455973 /nfs/dbraw/zinc/45/59/73/961455973.db2.gz 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/nfs/dbraw/zinc/64/47/74/961644774.db2.gz KRRNOOXZBHTIFK-HNNXBMFYSA-N -1 0 324.465 3.536 20 0 DHADRM Cc1ccc2sc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc2c1 ZINC001333347670 961691410 /nfs/dbraw/zinc/69/14/10/961691410.db2.gz QDZGZZSMYDXQBA-UHFFFAOYSA-N -1 0 305.399 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000262444688 961726067 /nfs/dbraw/zinc/72/60/67/961726067.db2.gz TZUKMGJTXYNQFZ-AWEZNQCLSA-N -1 0 319.357 3.563 20 0 DHADRM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000262571785 961776747 /nfs/dbraw/zinc/77/67/47/961776747.db2.gz NDWXIMINVSUEAP-NSHDSACASA-N -1 0 303.383 3.588 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC12CCCCC2 ZINC001588842905 961832459 /nfs/dbraw/zinc/83/24/59/961832459.db2.gz RZXVSBSCVSDIGM-KBPBESRZSA-N -1 0 309.450 3.551 20 0 DHADRM CN(CCC1CCCCC1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001574004733 961886577 /nfs/dbraw/zinc/88/65/77/961886577.db2.gz MKXHDMYUDZGXFX-UHFFFAOYSA-N -1 0 309.450 3.552 20 0 DHADRM CC1(CCNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000262830141 961895318 /nfs/dbraw/zinc/89/53/18/961895318.db2.gz BFCXERRCSLRDDI-UHFFFAOYSA-N -1 0 323.392 3.972 20 0 DHADRM Cc1cc(Cl)c(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000262998208 962092438 /nfs/dbraw/zinc/09/24/38/962092438.db2.gz FRLFFGALSMQWKZ-UHFFFAOYSA-N -1 0 324.808 3.722 20 0 DHADRM COCc1cc(NC(=O)C[C@H](C)CC(C)C)cc(C(=O)[O-])c1 ZINC000263020353 962125334 /nfs/dbraw/zinc/12/53/34/962125334.db2.gz AJEGAOFWJISRIF-GFCCVEGCSA-N -1 0 307.390 3.542 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1-c1nccs1 ZINC001345183890 962258868 /nfs/dbraw/zinc/25/88/68/962258868.db2.gz FGVVSNPFBWZYIM-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000263109368 962259652 /nfs/dbraw/zinc/25/96/52/962259652.db2.gz FYZJRZQNCLEZOM-CKEIUWERSA-N -1 0 317.429 3.625 20 0 DHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000263113305 962265622 /nfs/dbraw/zinc/26/56/22/962265622.db2.gz 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CC[C@H]1CN(C(=O)CCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000263293576 962434220 /nfs/dbraw/zinc/43/42/20/962434220.db2.gz LYPKOFJKDLFVKF-DOTOQJQBSA-N -1 0 317.429 3.674 20 0 DHADRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C1CCCC1 ZINC000263294633 962436935 /nfs/dbraw/zinc/43/69/35/962436935.db2.gz ZJAVSNNXRLSOLN-UHFFFAOYSA-N -1 0 307.365 3.608 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263333704 962481680 /nfs/dbraw/zinc/48/16/80/962481680.db2.gz VPMGTIXYZJDTMW-OCCSQVGLSA-N -1 0 307.390 3.533 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C)c1 ZINC000263348292 962500889 /nfs/dbraw/zinc/50/08/89/962500889.db2.gz ZVTNQTNWEBZKBM-QGZVFWFLSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000263352725 962506273 /nfs/dbraw/zinc/50/62/73/962506273.db2.gz WBAAFJPJEOFPFE-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)F)o2)c(C)c1 ZINC000634656859 1013353083 /nfs/dbraw/zinc/35/30/83/1013353083.db2.gz KTHQGTHTIGOWSO-UHFFFAOYSA-N -1 0 315.341 3.943 20 0 DHADRM CC(C)[C@H](NCc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(=O)[O-] ZINC001588960915 962623835 /nfs/dbraw/zinc/62/38/35/962623835.db2.gz XMGWGQAXCMPSCB-ZDUSSCGKSA-N -1 0 324.490 3.592 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/Sc1ccccc1 ZINC001574692059 962641971 /nfs/dbraw/zinc/64/19/71/962641971.db2.gz JLFPWJZQHHXOGN-YPDDLIOESA-N -1 0 319.426 3.538 20 0 DHADRM COc1ccc(OC(C)C)c(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263458964 962646758 /nfs/dbraw/zinc/64/67/58/962646758.db2.gz IGCALXFSNVEHEF-UHFFFAOYSA-N -1 0 307.390 3.538 20 0 DHADRM CC(C)c1cccc(N(CCO)Cc2ccc(C(=O)[O-])s2)c1 ZINC001588969891 962667085 /nfs/dbraw/zinc/66/70/85/962667085.db2.gz SGXDSEKZDMFETC-UHFFFAOYSA-N -1 0 319.426 3.569 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC001574697602 962670090 /nfs/dbraw/zinc/67/00/90/962670090.db2.gz UALMJCKMIAEJFO-UHFFFAOYSA-N -1 0 324.789 3.657 20 0 DHADRM COCc1cc(NCc2csc(C(C)C)n2)cc(C(=O)[O-])c1 ZINC001353910516 962674333 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O=C([O-])COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC001574731544 962840708 /nfs/dbraw/zinc/84/07/08/962840708.db2.gz CLSJQKWBJIBLQR-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1-c1ccsc1 ZINC001526727683 962884810 /nfs/dbraw/zinc/88/48/10/962884810.db2.gz OAPDANUTSJDVBE-BETUJISGSA-N -1 0 315.394 3.773 20 0 DHADRM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1C1CC1 ZINC001574201668 962887432 /nfs/dbraw/zinc/88/74/32/962887432.db2.gz DADHXXRRUFUAIC-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM COc1cc(C(F)(F)F)ccc1Nc1ncc(F)cc1O ZINC001209882656 1013410505 /nfs/dbraw/zinc/41/05/05/1013410505.db2.gz NOYNIURFJUBRFJ-UHFFFAOYSA-N -1 0 302.227 3.697 20 0 DHADRM O=C([O-])c1cc(F)cc(Nc2cnnc3ccc(Cl)cc32)c1 ZINC001209887672 1013412060 /nfs/dbraw/zinc/41/20/60/1013412060.db2.gz JTTQXAZRCITAKR-UHFFFAOYSA-N -1 0 317.707 3.864 20 0 DHADRM C=Cc1ccccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001209945203 1013433735 /nfs/dbraw/zinc/43/37/35/1013433735.db2.gz NHOMDWLQWMVBRC-UHFFFAOYSA-N -1 0 309.774 3.973 20 0 DHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCCC(=O)[O-] ZINC000314676387 963789430 /nfs/dbraw/zinc/78/94/30/963789430.db2.gz JUBLMRLCBNVEBB-UHFFFAOYSA-N -1 0 305.418 3.588 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)c2csc3ccccc23)cc1 ZINC000314682398 963790721 /nfs/dbraw/zinc/79/07/21/963790721.db2.gz QFEBLENLYNZHHV-UHFFFAOYSA-N -1 0 311.362 3.530 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3c(cccc3F)s2)CCCC1 ZINC000315797871 963936559 /nfs/dbraw/zinc/93/65/59/963936559.db2.gz HEEUZFQMBXZQJJ-UHFFFAOYSA-N -1 0 321.373 3.558 20 0 DHADRM Cc1c(NC(=O)c2ccc3ncsc3c2)cccc1C(=O)[O-] ZINC000315831731 963939848 /nfs/dbraw/zinc/93/98/48/963939848.db2.gz HSGVHSJLUQJTAM-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@H]1c2ccsc2CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000316596100 964029379 /nfs/dbraw/zinc/02/93/79/964029379.db2.gz HSOAHKZKMLRAIT-LBPRGKRZSA-N -1 0 321.442 3.619 20 0 DHADRM COc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1Cl ZINC001270738332 1013522861 /nfs/dbraw/zinc/52/28/61/1013522861.db2.gz KIDIYGROVIGHQE-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2F)[C@@H]1C(=O)[O-] ZINC000635018935 1018520235 /nfs/dbraw/zinc/52/02/35/1018520235.db2.gz ROEAERXCEYDQJQ-OQPBUACISA-N -1 0 320.191 3.818 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113427 967848917 /nfs/dbraw/zinc/84/89/17/967848917.db2.gz LFQKLERIKMPPIV-OCCSQVGLSA-N -1 0 318.417 3.693 20 0 DHADRM CC[C@@H](CNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000649262163 968588052 /nfs/dbraw/zinc/58/80/52/968588052.db2.gz AENOHWCBTAVTLN-KGLIPLIRSA-N -1 0 305.418 3.531 20 0 DHADRM CCC1(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCCCC1 ZINC000655576606 968685062 /nfs/dbraw/zinc/68/50/62/968685062.db2.gz RTZOZOZZEDZTSD-MELADBBJSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])C1(CNc2ccc(-c3ccc(Cl)s3)nn2)CCC1 ZINC000662898884 968760853 /nfs/dbraw/zinc/76/08/53/968760853.db2.gz SKEAOKFKBABYRU-UHFFFAOYSA-N -1 0 323.805 3.525 20 0 DHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663040467 968768066 /nfs/dbraw/zinc/76/80/66/968768066.db2.gz PMUGODNALKASKB-AWEZNQCLSA-N -1 0 307.390 3.509 20 0 DHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000330626195 1013831053 /nfs/dbraw/zinc/83/10/53/1013831053.db2.gz UZJYDUIUSJGRLT-SCZZXKLOSA-N -1 0 318.200 3.985 20 0 DHADRM Cc1cc(CNc2cccc(CCC(=O)[O-])c2)cnc1Cl ZINC000840998123 969221225 /nfs/dbraw/zinc/22/12/25/969221225.db2.gz IVMCBEXCOFRREJ-UHFFFAOYSA-N -1 0 304.777 3.673 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000331236036 1013869521 /nfs/dbraw/zinc/86/95/21/1013869521.db2.gz LWUAOFJBLGYJRZ-NSHDSACASA-N -1 0 311.328 3.749 20 0 DHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000188563616 1013881990 /nfs/dbraw/zinc/88/19/90/1013881990.db2.gz CIFUIYCHMAGJSR-UHFFFAOYSA-N -1 0 315.316 3.738 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1cscc1C(F)F)CC(=O)[O-] ZINC000902080419 969514958 /nfs/dbraw/zinc/51/49/58/969514958.db2.gz QHGOEYNMLQZZGV-VIFPVBQESA-N -1 0 319.373 3.553 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC000902137444 969520155 /nfs/dbraw/zinc/52/01/55/969520155.db2.gz CENPMCTYNIDYJH-LBPRGKRZSA-N -1 0 321.442 3.737 20 0 DHADRM CC(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001261553110 969688861 /nfs/dbraw/zinc/68/88/61/969688861.db2.gz PJNMVGLVRGSAEP-CYBMUJFWSA-N -1 0 317.410 3.502 20 0 DHADRM C/C(=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573386197 969809604 /nfs/dbraw/zinc/80/96/04/969809604.db2.gz PJMHWWIXBCIDJI-UNJUUPHPSA-N -1 0 323.820 3.606 20 0 DHADRM Cc1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1Cl ZINC000317326102 970347877 /nfs/dbraw/zinc/34/78/77/970347877.db2.gz VJHPQIMOAYBQIA-LBPRGKRZSA-N -1 0 323.820 3.611 20 0 DHADRM CC(C)Oc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])co1 ZINC000317431193 970357937 /nfs/dbraw/zinc/35/79/37/970357937.db2.gz RTBNYZJKDHWWBX-GFCCVEGCSA-N -1 0 303.358 3.616 20 0 DHADRM C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099555 1013994098 /nfs/dbraw/zinc/99/40/98/1013994098.db2.gz XTOMBMZOOOQNRK-KGYLQXTDSA-N -1 0 324.490 3.666 20 0 DHADRM Cc1c2cccc(F)c2oc1C(=O)NCCCCCCC(=O)[O-] ZINC000320636951 970689388 /nfs/dbraw/zinc/68/93/88/970689388.db2.gz HFTRBVJOBMZQER-UHFFFAOYSA-N -1 0 321.348 3.645 20 0 DHADRM CSc1ccccc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001604971138 972559169 /nfs/dbraw/zinc/55/91/69/972559169.db2.gz KYXCGNUGVPQUPW-LLVKDONJSA-N -1 0 315.394 3.598 20 0 DHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC=CC1)c1ccc2c(c1)CCCC2 ZINC001604998649 972592810 /nfs/dbraw/zinc/59/28/10/972592810.db2.gz PNICBVSEVIJEKQ-CYBMUJFWSA-N -1 0 314.381 3.591 20 0 DHADRM Cc1cc(F)ccc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000255130389 1014041811 /nfs/dbraw/zinc/04/18/11/1014041811.db2.gz ZYWLCXMCCOCDNA-ALCCZGGFSA-N -1 0 300.333 3.916 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)NCc1ccccc1C(=O)[O-] ZINC001603329020 972687425 /nfs/dbraw/zinc/68/74/25/972687425.db2.gz UIDRQTGUTGLLRJ-AWEZNQCLSA-N -1 0 303.402 3.608 20 0 DHADRM COC(=O)CCCCCCCC(=O)Nc1ccccc1[S-] ZINC001144951484 1032079499 /nfs/dbraw/zinc/07/94/99/1032079499.db2.gz DWPXOGLTJUDHQH-UHFFFAOYSA-N -1 0 309.431 3.818 20 0 DHADRM Cc1c(Cl)cccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001605082267 972723231 /nfs/dbraw/zinc/72/32/31/972723231.db2.gz ZMAGXZJAJDRFNP-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM CC(C)c1nc(/C=C\c2cc(F)cc(F)c2)ncc1C(=O)[O-] ZINC000255163558 1014051858 /nfs/dbraw/zinc/05/18/58/1014051858.db2.gz WAFSEDIYYFRPDI-ARJAWSKDSA-N -1 0 304.296 3.747 20 0 DHADRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1Cl ZINC001605192208 972911058 /nfs/dbraw/zinc/91/10/58/972911058.db2.gz FCUPFBWXWAKERR-QPJJXVBHSA-N -1 0 305.717 3.592 20 0 DHADRM O=C([O-])C1(CCSc2nnc(-c3ccc(F)cc3)o2)CCC1 ZINC001605951177 972912539 /nfs/dbraw/zinc/91/25/39/972912539.db2.gz RUTAQDSTKURLSP-UHFFFAOYSA-N -1 0 322.361 3.613 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)o1 ZINC001605231272 972981017 /nfs/dbraw/zinc/98/10/17/972981017.db2.gz FBTITDQBBMFFHH-INIZCTEOSA-N -1 0 313.353 3.613 20 0 DHADRM Cc1ccc(-c2nc(CN3[C@H](C)CCC[C@@H]3C(=O)[O-])cs2)o1 ZINC001605237871 972994809 /nfs/dbraw/zinc/99/48/09/972994809.db2.gz QGTCOCBUBMMGLP-ZWNOBZJWSA-N -1 0 320.414 3.539 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2cc(C(=O)[O-])ccn2)C1(C)C ZINC001603395380 973032312 /nfs/dbraw/zinc/03/23/12/973032312.db2.gz WNBHZEXOXQELHX-MTJAABNWSA-N -1 0 316.401 3.737 20 0 DHADRM Cc1ccc(C[C@@H](C)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001605264066 973044222 /nfs/dbraw/zinc/04/42/22/973044222.db2.gz DZHDKPHODVOYAR-CQSZACIVSA-N -1 0 312.365 3.615 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001605277875 973073332 /nfs/dbraw/zinc/07/33/32/973073332.db2.gz UOULPMRCPKOYHL-HYXAFXHYSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(Cl)c2c1CCCN2C(=O)CCCCC(=O)[O-] ZINC001605277900 973073704 /nfs/dbraw/zinc/07/37/04/973073704.db2.gz VXOCZMZHEZVQTG-UHFFFAOYSA-N -1 0 309.793 3.573 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2c1 ZINC001605315110 973145289 /nfs/dbraw/zinc/14/52/89/973145289.db2.gz SSLWWFRMUXIUQG-GFCCVEGCSA-N -1 0 317.410 3.537 20 0 DHADRM NC(=O)c1cc(Cl)nc(Cl)c1Nc1cccc([S-])c1 ZINC001210945228 1014093135 /nfs/dbraw/zinc/09/31/35/1014093135.db2.gz KWXPOZCMNALZNZ-UHFFFAOYSA-N -1 0 314.197 3.520 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccccc1 ZINC001603450190 973248591 /nfs/dbraw/zinc/24/85/91/973248591.db2.gz BUEBOVRQOHYBJR-UGSOOPFHSA-N -1 0 324.380 3.539 20 0 DHADRM CC(=O)Nc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1 ZINC001210967737 1014098436 /nfs/dbraw/zinc/09/84/36/1014098436.db2.gz VHKMAHSELSIXGF-UHFFFAOYSA-N -1 0 304.733 3.740 20 0 DHADRM COc1ccc(-c2cc(Nc3ccccc3C(=O)[O-])n(C)n2)cc1 ZINC001210970192 1014098929 /nfs/dbraw/zinc/09/89/29/1014098929.db2.gz VNMUSWRPCOSMBL-UHFFFAOYSA-N -1 0 323.352 3.538 20 0 DHADRM O=C([O-])c1ccccc1Nc1c(F)c(F)nc(F)c1Cl ZINC001210970096 1014099086 /nfs/dbraw/zinc/09/90/86/1014099086.db2.gz SUQGEUUSQCMLML-UHFFFAOYSA-N -1 0 302.639 3.594 20 0 DHADRM O=C([O-])CCCCC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001606142036 973393933 /nfs/dbraw/zinc/39/39/33/973393933.db2.gz OEVOGTIFJKETDF-IRXDYDNUSA-N -1 0 317.429 3.722 20 0 DHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)cc1Cl ZINC000683921628 1014109757 /nfs/dbraw/zinc/10/97/57/1014109757.db2.gz WCORNBVHHOYAIQ-UHFFFAOYSA-N -1 0 324.808 3.900 20 0 DHADRM Cc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000683922033 1014109892 /nfs/dbraw/zinc/10/98/92/1014109892.db2.gz IXTYBWSQQMFFJZ-AWEZNQCLSA-N -1 0 312.369 3.502 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001603491867 973431306 /nfs/dbraw/zinc/43/13/06/973431306.db2.gz AJMHSNQOBVXBFV-QGZVFWFLSA-N -1 0 317.429 3.598 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001605454557 973536366 /nfs/dbraw/zinc/53/63/66/973536366.db2.gz BYNMBWVSYDDRPN-CYBMUJFWSA-N -1 0 307.390 3.571 20 0 DHADRM Cc1oc2ccccc2c1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605459871 973549804 /nfs/dbraw/zinc/54/98/04/973549804.db2.gz VCROQJCDTGFGIR-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCc2cc(C(C)C)ccc2C1 ZINC001603524504 973562263 /nfs/dbraw/zinc/56/22/63/973562263.db2.gz YASVHVLTJHNXSY-UHFFFAOYSA-N -1 0 317.429 3.586 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603549491 973611985 /nfs/dbraw/zinc/61/19/85/973611985.db2.gz RZXMVDDUVNZWOJ-LBPRGKRZSA-N -1 0 305.374 3.635 20 0 DHADRM Cc1ccc(C(=O)NCCCCCCCC(=O)[O-])c(Cl)c1 ZINC000403097795 973660044 /nfs/dbraw/zinc/66/00/44/973660044.db2.gz MKHODHDZZCWDGJ-UHFFFAOYSA-N -1 0 311.809 3.803 20 0 DHADRM CC[C@@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(C)cc1 ZINC001603582798 973744505 /nfs/dbraw/zinc/74/45/05/973744505.db2.gz QIBVFGKVJMJXNN-OAHLLOKOSA-N -1 0 320.433 3.636 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001603594495 973825050 /nfs/dbraw/zinc/82/50/50/973825050.db2.gz YCRKMFFVPIRSEQ-KSSFIOAISA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccc(Cl)cc1 ZINC001603627957 973941723 /nfs/dbraw/zinc/94/17/23/973941723.db2.gz OPQPGJMDUQODNJ-KGLIPLIRSA-N -1 0 311.809 3.545 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)c2ccccc2O1 ZINC001603628137 973944129 /nfs/dbraw/zinc/94/41/29/973944129.db2.gz FDTYTFKNXPNODB-LLVKDONJSA-N -1 0 303.383 3.624 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001603636076 973972348 /nfs/dbraw/zinc/97/23/48/973972348.db2.gz NQNNPOAKJFVAIK-QGZVFWFLSA-N -1 0 309.450 3.552 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603639671 973976524 /nfs/dbraw/zinc/97/65/24/973976524.db2.gz AOMSHPDZWBEQDG-XEHSLEBBSA-N -1 0 307.390 3.714 20 0 DHADRM CCCCOc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)c(C)c1 ZINC001603652634 974016359 /nfs/dbraw/zinc/01/63/59/974016359.db2.gz WNHIMUZUFJNVIX-UHFFFAOYSA-N -1 0 317.385 3.533 20 0 DHADRM O=C([O-])c1ccccc1C1CCN(C(=O)OC2CCCC2)CC1 ZINC001606521039 974016961 /nfs/dbraw/zinc/01/69/61/974016961.db2.gz FCNPUSIEDIMNHJ-UHFFFAOYSA-N -1 0 317.385 3.643 20 0 DHADRM O=C([O-])c1ccccc1OCCSC[C@@H]1CC1(Cl)Cl ZINC001606528706 974038716 /nfs/dbraw/zinc/03/87/16/974038716.db2.gz GSZXOSISPSVJOZ-VIFPVBQESA-N -1 0 321.225 3.691 20 0 DHADRM O=C([O-])c1coc(CNCc2cccc(Cl)c2Cl)c1 ZINC000426715524 974045829 /nfs/dbraw/zinc/04/58/29/974045829.db2.gz RKOGMYMBJOTUPF-UHFFFAOYSA-N -1 0 300.141 3.574 20 0 DHADRM O=C([O-])c1cc(NC(=O)/C=C\C2CCCCCC2)ccc1O ZINC001605660007 974056115 /nfs/dbraw/zinc/05/61/15/974056115.db2.gz PTOJWWNQMPHTBY-YFHOEESVSA-N -1 0 303.358 3.556 20 0 DHADRM O=C([O-])c1c(NC(=O)C[C@H]2C=CCC2)sc2c1CCCC2 ZINC001605669601 974075903 /nfs/dbraw/zinc/07/59/03/974075903.db2.gz LNKLSSCJAUYISD-JTQLQIEISA-N -1 0 305.399 3.620 20 0 DHADRM CCCC[C@@H](CC)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000447897793 974125806 /nfs/dbraw/zinc/12/58/06/974125806.db2.gz PEFHNWPPYPPOBT-DOTOQJQBSA-N -1 0 319.445 3.952 20 0 DHADRM CC(C)c1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000478843060 974209946 /nfs/dbraw/zinc/20/99/46/974209946.db2.gz SZTHWFWUAUXVGP-UHFFFAOYSA-N -1 0 315.344 3.577 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ocnc1C1CC1 ZINC000580499345 1014178621 /nfs/dbraw/zinc/17/86/21/1014178621.db2.gz XSXYQBIOXUSKAC-UHFFFAOYSA-N -1 0 313.140 3.817 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCCc1ccc(C)cc1 ZINC000537371820 974382408 /nfs/dbraw/zinc/38/24/08/974382408.db2.gz PKHLYMUYHKLBDD-UHFFFAOYSA-N -1 0 319.445 3.858 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539675790 974398233 /nfs/dbraw/zinc/39/82/33/974398233.db2.gz MPABWKAPUAHDIR-AWEZNQCLSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000555137393 974486217 /nfs/dbraw/zinc/48/62/17/974486217.db2.gz YIQNZFLEBYDHIC-AWEZNQCLSA-N -1 0 311.381 3.835 20 0 DHADRM Cc1ccc([C@H](CNC(=O)CC2CCCCCC2)C(=O)[O-])cc1 ZINC000557977811 974493456 /nfs/dbraw/zinc/49/34/56/974493456.db2.gz IPOPCDFEFMEEEC-KRWDZBQOSA-N -1 0 317.429 3.640 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000579377710 1014200843 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CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000570646556 974715603 /nfs/dbraw/zinc/71/56/03/974715603.db2.gz GOITWPPDECXYDQ-QGZVFWFLSA-N -1 0 323.396 3.601 20 0 DHADRM C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573330977 974764517 /nfs/dbraw/zinc/76/45/17/974764517.db2.gz HKTNAWQVQKIGHG-NXEZZACHSA-N -1 0 312.207 3.520 20 0 DHADRM O=C([O-])CC1(CN2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000578899846 974864623 /nfs/dbraw/zinc/86/46/23/974864623.db2.gz DTMAHNKDPPKGMZ-UHFFFAOYSA-N -1 0 314.212 3.606 20 0 DHADRM Cc1cc(Cl)cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000579952526 974885209 /nfs/dbraw/zinc/88/52/09/974885209.db2.gz FVAUKQVFWIUNGL-SECBINFHSA-N -1 0 310.806 3.654 20 0 DHADRM O=C([O-])CCC(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000581387966 974909470 /nfs/dbraw/zinc/90/94/70/974909470.db2.gz UXBUIQDJWLKNCH-LJQANCHMSA-N -1 0 323.348 3.503 20 0 DHADRM Cc1cc([C@H](C)N2CCc3c(F)ccc(F)c3C2)oc1C(=O)[O-] ZINC000582008589 974919365 /nfs/dbraw/zinc/91/93/65/974919365.db2.gz 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ZINC000621567434 975034669 /nfs/dbraw/zinc/03/46/69/975034669.db2.gz SZQSKLBXEYPXIM-HNNXBMFYSA-N -1 0 323.820 3.519 20 0 DHADRM C[C@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC000621609920 975058408 /nfs/dbraw/zinc/05/84/08/975058408.db2.gz YETZFGUBFYIEFF-MNOVXSKESA-N -1 0 324.446 3.625 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630106420 975103578 /nfs/dbraw/zinc/10/35/78/975103578.db2.gz JVQFTVDVBBLJBW-SNVBAGLBSA-N -1 0 321.760 3.773 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)oc1C(=O)[O-] ZINC000630107671 975103871 /nfs/dbraw/zinc/10/38/71/975103871.db2.gz VKRVGVSPDCQIAG-SNVBAGLBSA-N -1 0 321.760 3.773 20 0 DHADRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H](C)c1ccc(F)cc1 ZINC000630111432 975105617 /nfs/dbraw/zinc/10/56/17/975105617.db2.gz PCNHRUAECVJZNH-LLVKDONJSA-N -1 0 319.332 3.649 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)oc1C ZINC000630145053 975128277 /nfs/dbraw/zinc/12/82/77/975128277.db2.gz PGUBIUBLJABHSC-GFCCVEGCSA-N -1 0 315.369 3.580 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1)C(=O)[O-] ZINC000630162886 975138154 /nfs/dbraw/zinc/13/81/54/975138154.db2.gz QQRRDGKBORTZKV-SECBINFHSA-N -1 0 323.295 3.733 20 0 DHADRM C[C@@H](CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccco1 ZINC000630194767 975152506 /nfs/dbraw/zinc/15/25/06/975152506.db2.gz VBOQNKXRDZAPJK-RYUDHWBXSA-N -1 0 301.342 3.600 20 0 DHADRM CCCNc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000190146111 1014240045 /nfs/dbraw/zinc/24/00/45/1014240045.db2.gz CNZMKTGDCHSVGT-UHFFFAOYSA-N -1 0 306.312 3.745 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C(C)(C)C ZINC000630205748 975159032 /nfs/dbraw/zinc/15/90/32/975159032.db2.gz CTOSWURHGUGGTN-UGUYLWEFSA-N -1 0 323.477 3.941 20 0 DHADRM C[C@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)C1CCCCC1 ZINC000630233437 975180657 /nfs/dbraw/zinc/18/06/57/975180657.db2.gz UJNJBDXREYNHAV-CQSZACIVSA-N -1 0 317.429 3.536 20 0 DHADRM CC1(C)CCC(CC(=O)NCc2ccc(CC(=O)[O-])cc2)CC1 ZINC000630233607 975180800 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DHADRM C[C@H](C1CC1)N(C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000630314348 975247929 /nfs/dbraw/zinc/24/79/29/975247929.db2.gz ZXHGCBXBEGQTOE-CQSZACIVSA-N -1 0 323.392 3.759 20 0 DHADRM CCC(C)(C)CCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630314824 975248596 /nfs/dbraw/zinc/24/85/96/975248596.db2.gz VRUAWEVRWAQYFK-LBPRGKRZSA-N -1 0 323.458 3.808 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630324942 975252796 /nfs/dbraw/zinc/25/27/96/975252796.db2.gz NTIRBVHYENQYHJ-KSTDHSDQSA-N -1 0 307.434 3.591 20 0 DHADRM CC(C)(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000630327268 975254007 /nfs/dbraw/zinc/25/40/07/975254007.db2.gz BZCXJMQRGALEBQ-DLBZAZTESA-N -1 0 323.392 3.791 20 0 DHADRM COc1cccc([C@@H](C(=O)[O-])N2CCC[C@H]2c2ccsc2)c1 ZINC000634691053 975271156 /nfs/dbraw/zinc/27/11/56/975271156.db2.gz ZBWJKXQPKAAFGZ-HOTGVXAUSA-N -1 0 317.410 3.720 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2C)C1(C)C ZINC000642146248 975287902 /nfs/dbraw/zinc/28/79/02/975287902.db2.gz NTVCJQSJKOZHSI-ZFWWWQNUSA-N -1 0 301.386 3.870 20 0 DHADRM O=C([O-])c1cnc(N2CCC[C@H]2c2cccs2)c(Cl)c1 ZINC000647445106 975359531 /nfs/dbraw/zinc/35/95/31/975359531.db2.gz XJOGKQLRGNQLPG-NSHDSACASA-N -1 0 308.790 3.836 20 0 DHADRM Cc1ccc(NC(=O)[C@@]2(C)CCc3ccccc32)cc1C(=O)[O-] ZINC000649245625 975386089 /nfs/dbraw/zinc/38/60/89/975386089.db2.gz NCHRFTLANQNQFT-IBGZPJMESA-N -1 0 309.365 3.536 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1F ZINC000649251548 975389241 /nfs/dbraw/zinc/38/92/41/975389241.db2.gz DXSGEELSFCXFKW-HUUCEWRRSA-N -1 0 319.376 3.608 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1F ZINC000649251546 975389250 /nfs/dbraw/zinc/38/92/50/975389250.db2.gz DXSGEELSFCXFKW-CABCVRRESA-N -1 0 319.376 3.608 20 0 DHADRM CCC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCCCC1 ZINC000649364663 975408304 /nfs/dbraw/zinc/40/83/04/975408304.db2.gz HNLVONNSPDORLS-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1occc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001211244219 1014260324 /nfs/dbraw/zinc/26/03/24/1014260324.db2.gz REAAXXHUICOMBN-UHFFFAOYSA-N -1 0 301.751 3.540 20 0 DHADRM Cc1oc(C[N@H+](Cc2ccco2)C2CCCC2)cc1C(=O)[O-] ZINC000652389314 975518541 /nfs/dbraw/zinc/51/85/41/975518541.db2.gz NQZLKJDABGZTEN-UHFFFAOYSA-N -1 0 303.358 3.824 20 0 DHADRM CCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000653638817 975602495 /nfs/dbraw/zinc/60/24/95/975602495.db2.gz GYRMUTISTKYDTB-ZDUSSCGKSA-N -1 0 311.381 3.970 20 0 DHADRM CC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C)cc1 ZINC000653640022 975605839 /nfs/dbraw/zinc/60/58/39/975605839.db2.gz GIZGSKNDOKTHCE-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM CC[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C)cc1 ZINC000653640023 975606248 /nfs/dbraw/zinc/60/62/48/975606248.db2.gz GIZGSKNDOKTHCE-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000656233340 975648844 /nfs/dbraw/zinc/64/88/44/975648844.db2.gz PKGMPTHRDNGFGH-SCLBCKFNSA-N -1 0 305.418 3.651 20 0 DHADRM O=C([O-])CCCCN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758675 975685604 /nfs/dbraw/zinc/68/56/04/975685604.db2.gz KUPPGJFDSOUOFD-UHFFFAOYSA-N -1 0 302.201 3.606 20 0 DHADRM CC(C)OCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001591730984 975703369 /nfs/dbraw/zinc/70/33/69/975703369.db2.gz IMNMRJLDJCBFOC-UHFFFAOYSA-N -1 0 314.337 3.529 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cccc(Cl)c1 ZINC000659118021 975713425 /nfs/dbraw/zinc/71/34/25/975713425.db2.gz CFPFTYAEARUBDO-LLVKDONJSA-N -1 0 321.804 3.552 20 0 DHADRM CC(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000659143254 975743473 /nfs/dbraw/zinc/74/34/73/975743473.db2.gz UUGSJLPSPHDEOH-CQSZACIVSA-N -1 0 303.402 3.527 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000659146319 975745714 /nfs/dbraw/zinc/74/57/14/975745714.db2.gz MMRUVBGVYHOFOJ-HZPDHXFCSA-N -1 0 311.381 3.518 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)s1 ZINC000659158672 975757692 /nfs/dbraw/zinc/75/76/92/975757692.db2.gz LJGNDDJFDGNZOG-JOCQHMNTSA-N -1 0 321.442 3.669 20 0 DHADRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC000659182455 975777370 /nfs/dbraw/zinc/77/73/70/975777370.db2.gz NTEGKEMBQOSMJK-SWLSCSKDSA-N -1 0 317.429 3.603 20 0 DHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000588385956 1014284231 /nfs/dbraw/zinc/28/42/31/1014284231.db2.gz OCYFFVWOAMGIDA-FIPLFPIMSA-N -1 0 323.458 3.710 20 0 DHADRM O=C(Cc1ccc(O)c(F)c1)Nc1ccccc1NC1CCC1 ZINC000652790109 1014284240 /nfs/dbraw/zinc/28/42/40/1014284240.db2.gz NLBFKDNPCSPDDE-UHFFFAOYSA-N -1 0 314.360 3.677 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659199990 975807328 /nfs/dbraw/zinc/80/73/28/975807328.db2.gz COXIGNGQEAWOFY-CYBMUJFWSA-N -1 0 307.390 3.591 20 0 DHADRM CC(C)Oc1c(NCCCC2CCOCC2)cccc1C(=O)[O-] ZINC001591751745 975808861 /nfs/dbraw/zinc/80/88/61/975808861.db2.gz CNBPLTGYGVTZLW-UHFFFAOYSA-N -1 0 321.417 3.791 20 0 DHADRM CC(C)Oc1c(NC[C@@H]2CC2(Cl)Cl)cccc1C(=O)[O-] ZINC001591751721 975808874 /nfs/dbraw/zinc/80/88/74/975808874.db2.gz ARICXSMTOCRDQD-VIFPVBQESA-N -1 0 318.200 3.778 20 0 DHADRM CC(C)Oc1cc(F)ccc1NCc1csc(C(=O)[O-])c1 ZINC001591755371 975818809 /nfs/dbraw/zinc/81/88/09/975818809.db2.gz IJXRCHMWOHXGCE-UHFFFAOYSA-N -1 0 309.362 3.985 20 0 DHADRM CC(C)Oc1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001591773219 975910648 /nfs/dbraw/zinc/91/06/48/975910648.db2.gz SDVIZKKJZUWNCB-LLVKDONJSA-N -1 0 318.325 3.683 20 0 DHADRM CC(C)Oc1ccc(F)cc1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001591778348 975940229 /nfs/dbraw/zinc/94/02/29/975940229.db2.gz WGWFKOKPPNRAHL-VURMDHGXSA-N -1 0 319.332 3.916 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(C(=O)[O-])c1 ZINC001591781132 975951376 /nfs/dbraw/zinc/95/13/76/975951376.db2.gz TUSISZZTXKITDA-DYEKYZERSA-N -1 0 317.385 3.547 20 0 DHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)s1 ZINC000666364874 975960672 /nfs/dbraw/zinc/96/06/72/975960672.db2.gz JXBBEFMPKINWAZ-JTQLQIEISA-N -1 0 303.383 3.805 20 0 DHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])sc21 ZINC000668290786 975988057 /nfs/dbraw/zinc/98/80/57/975988057.db2.gz XXSKTRKSGULUET-GXFFZTMASA-N -1 0 317.410 3.535 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc3ccsc32)CC2(CCC2)C1 ZINC000668304263 975993636 /nfs/dbraw/zinc/99/36/36/975993636.db2.gz IQTYMTTWABHSTL-UHFFFAOYSA-N -1 0 315.394 3.875 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000668321391 975997204 /nfs/dbraw/zinc/99/72/04/975997204.db2.gz RXEYQORSCYZCHZ-LLVKDONJSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000668325682 975998933 /nfs/dbraw/zinc/99/89/33/975998933.db2.gz ZNQCCXJCYGXTHF-UHFFFAOYSA-N -1 0 307.365 3.563 20 0 DHADRM CCCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669436229 976004426 /nfs/dbraw/zinc/00/44/26/976004426.db2.gz FSXUZOJPMZLSOP-KRWDZBQOSA-N -1 0 323.392 3.858 20 0 DHADRM Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000682621530 976076656 /nfs/dbraw/zinc/07/66/56/976076656.db2.gz XAJFFZASVFWVFT-UHFFFAOYSA-N -1 0 319.307 3.841 20 0 DHADRM CC(C)Sc1ccc([C@H](C)Nc2nccc(C(=O)[O-])n2)cc1 ZINC001591829412 976092026 /nfs/dbraw/zinc/09/20/26/976092026.db2.gz KOZRURFXGHILSZ-NSHDSACASA-N -1 0 317.414 3.848 20 0 DHADRM COc1c(C)cc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000685018431 976093188 /nfs/dbraw/zinc/09/31/88/976093188.db2.gz DTBRZZBBLLAWAJ-UHFFFAOYSA-N -1 0 313.353 3.571 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001591934702 976443690 /nfs/dbraw/zinc/44/36/90/976443690.db2.gz AIVMZTFXZTYNSX-UHFFFAOYSA-N -1 0 324.808 3.838 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591934700 976444084 /nfs/dbraw/zinc/44/40/84/976444084.db2.gz AHLJCGKXPNQKRO-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1ccc(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)cn1 ZINC001591936356 976459406 /nfs/dbraw/zinc/45/94/06/976459406.db2.gz VFDNQTJBFQWHNW-UHFFFAOYSA-N -1 0 309.325 3.620 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001591948356 976499205 /nfs/dbraw/zinc/49/92/05/976499205.db2.gz FYKLGDFSZAMYBB-NNCADPFVSA-N -1 0 315.413 3.583 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cncc3[nH]ccc32)c(C(=O)[O-])c1 ZINC001591968438 976566566 /nfs/dbraw/zinc/56/65/66/976566566.db2.gz MHILYUAFLBYDKW-UHFFFAOYSA-N -1 0 323.352 3.637 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](C)CC(=O)[O-] ZINC001591987869 976613644 /nfs/dbraw/zinc/61/36/44/976613644.db2.gz TYYUYXXDDMSPEB-GFCCVEGCSA-N -1 0 306.406 3.918 20 0 DHADRM CC(C)c1cccc(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001591992253 976624191 /nfs/dbraw/zinc/62/41/91/976624191.db2.gz SWXYDVDUPMUXPF-VQHVLOKHSA-N -1 0 314.337 3.858 20 0 DHADRM CC(C)c1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001591994321 976631336 /nfs/dbraw/zinc/63/13/36/976631336.db2.gz JSILIASQHDKBDV-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM CC(C)c1nc(NC(=O)c2ccoc2C2CC2)sc1C(=O)[O-] ZINC001592028986 976733024 /nfs/dbraw/zinc/73/30/24/976733024.db2.gz ZRFZYFUXRKJUTA-UHFFFAOYSA-N -1 0 320.370 3.687 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001592042807 976772019 /nfs/dbraw/zinc/77/20/19/976772019.db2.gz VHRTUXNGUALJCX-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1nsc(NCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001592105352 976877910 /nfs/dbraw/zinc/87/79/10/976877910.db2.gz CPWREVOWYCZTPK-UHFFFAOYSA-N -1 0 311.794 3.625 20 0 DHADRM COc1ncc(C(F)(F)F)cc1-c1cc(F)c([O-])cc1F ZINC001211351829 1014366298 /nfs/dbraw/zinc/36/62/98/1014366298.db2.gz FDDWXJFAZUWZJU-UHFFFAOYSA-N -1 0 305.202 3.760 20 0 DHADRM CC(C)n1nccc1CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001592170123 977068695 /nfs/dbraw/zinc/06/86/95/977068695.db2.gz WCKSKYSUPLWAQC-UHFFFAOYSA-N -1 0 313.401 3.505 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001592180431 977092922 /nfs/dbraw/zinc/09/29/22/977092922.db2.gz BODVRSRNMXWUNJ-YCMKEVRSSA-N -1 0 321.461 3.839 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592182369 977118187 /nfs/dbraw/zinc/11/81/87/977118187.db2.gz ZNSABUPPEIKNFB-NSHDSACASA-N -1 0 322.380 3.956 20 0 DHADRM C[C@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])CC(C)(C)C ZINC001592226957 977421644 /nfs/dbraw/zinc/42/16/44/977421644.db2.gz JJJBKCGSNOLRQX-OAHLLOKOSA-N -1 0 319.445 3.605 20 0 DHADRM C[C@@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])CC(C)(C)C ZINC001592226955 977421796 /nfs/dbraw/zinc/42/17/96/977421796.db2.gz JJJBKCGSNOLRQX-HNNXBMFYSA-N -1 0 319.445 3.605 20 0 DHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC001592227753 977425811 /nfs/dbraw/zinc/42/58/11/977425811.db2.gz SJWHLWZYKKYORW-OAHLLOKOSA-N -1 0 317.429 3.706 20 0 DHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc21)C1CCCCC1 ZINC001592236349 977444283 /nfs/dbraw/zinc/44/42/83/977444283.db2.gz NYBJHEQEGHEUHW-ZDUSSCGKSA-N -1 0 315.413 3.880 20 0 DHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(C)c1 ZINC000055663355 1014397979 /nfs/dbraw/zinc/39/79/79/1014397979.db2.gz PEOKHBPTIQCNBV-UHFFFAOYSA-N -1 0 323.389 3.642 20 0 DHADRM C[C@H](CC(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001592251508 977479052 /nfs/dbraw/zinc/47/90/52/977479052.db2.gz CZUXXHZAJZLTNE-CQSZACIVSA-N -1 0 317.429 3.536 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001592367783 977874050 /nfs/dbraw/zinc/87/40/50/977874050.db2.gz UZBORWHCJBDWTN-JTQLQIEISA-N -1 0 310.419 3.630 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001592381514 977919202 /nfs/dbraw/zinc/91/92/02/977919202.db2.gz HSFYKYOPEKFFGZ-WHOFXGATSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H](C)c1cccc(Cl)c1F ZINC001592396569 977959824 /nfs/dbraw/zinc/95/98/24/977959824.db2.gz WTVBGTJIQGEYIC-IUCAKERBSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)sc1Cl ZINC001592400792 977965319 /nfs/dbraw/zinc/96/53/19/977965319.db2.gz GKHMSJOKJOAMBE-ZCFIWIBFSA-N -1 0 311.186 3.599 20 0 DHADRM O=C([O-])CCCCCCNC(=O)/C=C\c1ccccc1Cl ZINC000207346270 1014442875 /nfs/dbraw/zinc/44/28/75/1014442875.db2.gz AZZFMIROMCGWHK-KHPPLWFESA-N -1 0 309.793 3.505 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000909447456 1014444324 /nfs/dbraw/zinc/44/43/24/1014444324.db2.gz HMNWDOOMWYHSGO-CQSZACIVSA-N -1 0 311.381 3.645 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC001592423195 978039250 /nfs/dbraw/zinc/03/92/50/978039250.db2.gz BHDQYRWIVCMSLR-RDDDGLTNSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC001592433071 978064267 /nfs/dbraw/zinc/06/42/67/978064267.db2.gz BIKKZMIVCHQBGI-NXEZZACHSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592434132 978072278 /nfs/dbraw/zinc/07/22/78/978072278.db2.gz TXIJWUFXZZEUCG-ZJUUUORDSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@H](CCC(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001592470433 978221588 /nfs/dbraw/zinc/22/15/88/978221588.db2.gz KSTVTZAGYREZDR-VXGBXAGGSA-N -1 0 317.341 3.561 20 0 DHADRM C[C@H](CCC(=O)O[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001592470428 978221649 /nfs/dbraw/zinc/22/16/49/978221649.db2.gz KSTVTZAGYREZDR-NEPJUHHUSA-N -1 0 317.341 3.561 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1cc(Cl)cc(Cl)c1 ZINC000724843641 978245507 /nfs/dbraw/zinc/24/55/07/978245507.db2.gz KVMFQOUMRJFZET-UHFFFAOYSA-N -1 0 314.168 3.917 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001592477677 978246462 /nfs/dbraw/zinc/24/64/62/978246462.db2.gz MQKJLFMUBBOYCY-CBBWQLFWSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592478442 978251500 /nfs/dbraw/zinc/25/15/00/978251500.db2.gz VIESTUCNDQKWHU-AWEZNQCLSA-N -1 0 321.461 3.887 20 0 DHADRM C[C@@H](CCCC(F)(F)F)OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001592485106 978261931 /nfs/dbraw/zinc/26/19/31/978261931.db2.gz LMZCYTGDTKKXLM-JTQLQIEISA-N -1 0 318.291 3.592 20 0 DHADRM CC(C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736347237 978322527 /nfs/dbraw/zinc/32/25/27/978322527.db2.gz HQAFVDNXWSFHMJ-MRXNPFEDSA-N -1 0 312.369 3.519 20 0 DHADRM C[C@@H](CCn1cccn1)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592552038 978436430 /nfs/dbraw/zinc/43/64/30/978436430.db2.gz JGSCLXCKUXNJGN-NSHDSACASA-N -1 0 315.398 3.687 20 0 DHADRM Cc1cccn2cc(CNc3ccc(Cl)c(C(=O)[O-])c3)nc12 ZINC000738322599 978516690 /nfs/dbraw/zinc/51/66/90/978516690.db2.gz UEMZQTCXSCXOJV-UHFFFAOYSA-N -1 0 315.760 3.606 20 0 DHADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC001592593459 978527020 /nfs/dbraw/zinc/52/70/20/978527020.db2.gz ICUQUHGXWVUQQM-VIFPVBQESA-N -1 0 318.339 3.917 20 0 DHADRM C[C@H](CN(Cc1ccccc1)Cc1c(F)cccc1F)C(=O)[O-] ZINC001592604685 978546075 /nfs/dbraw/zinc/54/60/75/978546075.db2.gz LURKSISMQGORRF-CYBMUJFWSA-N -1 0 319.351 3.688 20 0 DHADRM Cc1[nH]c2ccccc2c1CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738640166 978579768 /nfs/dbraw/zinc/57/97/68/978579768.db2.gz MJLSNMCADPZPKW-UHFFFAOYSA-N -1 0 323.348 3.631 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccc(Cl)cc1 ZINC000761649889 978713542 /nfs/dbraw/zinc/71/35/42/978713542.db2.gz JOEPDMAZRHHUKO-SLWQEBJJSA-N -1 0 309.793 3.503 20 0 DHADRM CCCC[C@H](NC(=O)/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000761998436 978717448 /nfs/dbraw/zinc/71/74/48/978717448.db2.gz PZFFBOLBMIGCLC-VNDWYCCKSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)CCCC(=O)[O-])c2)o1 ZINC000794847939 978823221 /nfs/dbraw/zinc/82/32/21/978823221.db2.gz KORQTNFWKCILAA-UHFFFAOYSA-N -1 0 301.342 3.757 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000799247547 978838689 /nfs/dbraw/zinc/83/86/89/978838689.db2.gz UUQDBPITHAGSFC-HIFRSBDPSA-N -1 0 303.402 3.808 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820879 978864855 /nfs/dbraw/zinc/86/48/55/978864855.db2.gz ODURNFMRTMAEJS-QMTHXVAHSA-N -1 0 323.820 3.983 20 0 DHADRM Cc1cccc2c(C(=O)NCCCCCCC(=O)[O-])coc21 ZINC000818294052 978908195 /nfs/dbraw/zinc/90/81/95/978908195.db2.gz 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1014552324 /nfs/dbraw/zinc/55/23/24/1014552324.db2.gz IMLILJRQFYCYDR-OAHLLOKOSA-N -1 0 305.418 3.640 20 0 DHADRM CC[C@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])C(C)(C)C ZINC001595029731 979160758 /nfs/dbraw/zinc/16/07/58/979160758.db2.gz FGLNACCEJDEEFF-MRXNPFEDSA-N -1 0 319.445 3.605 20 0 DHADRM CC[C@@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)C(C)(C)C ZINC001595030489 979166737 /nfs/dbraw/zinc/16/67/37/979166737.db2.gz PVKILZVCANAODB-CABCVRRESA-N -1 0 317.429 3.739 20 0 DHADRM CC[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)C(C)(C)C ZINC001595030490 979166815 /nfs/dbraw/zinc/16/68/15/979166815.db2.gz PVKILZVCANAODB-GJZGRUSLSA-N -1 0 317.429 3.739 20 0 DHADRM CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)C(C)(C)C ZINC001595030492 979166826 /nfs/dbraw/zinc/16/68/26/979166826.db2.gz PVKILZVCANAODB-LSDHHAIUSA-N -1 0 317.429 3.739 20 0 DHADRM CC[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001595030370 979167037 /nfs/dbraw/zinc/16/70/37/979167037.db2.gz PHKNZOYRZJVVQQ-HNNXBMFYSA-N -1 0 305.418 3.806 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/nfs/dbraw/zinc/29/98/78/981299878.db2.gz CYYCOUKBUKOHES-HNNXBMFYSA-N -1 0 307.434 3.664 20 0 DHADRM CSc1ccccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338598 981303823 /nfs/dbraw/zinc/30/38/23/981303823.db2.gz LEXDXCOQSMYDSJ-UHFFFAOYSA-N -1 0 321.442 3.564 20 0 DHADRM CCCC(=CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)CCC ZINC001595522027 981343638 /nfs/dbraw/zinc/34/36/38/981343638.db2.gz JIAGUVRVWGUBMP-INIZCTEOSA-N -1 0 321.392 3.637 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(C)C ZINC001595537557 981387788 /nfs/dbraw/zinc/38/77/88/981387788.db2.gz MGIAAQZJWXFOFM-XJKSGUPXSA-N -1 0 305.418 3.961 20 0 DHADRM CCC[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(C)C ZINC001595539097 981396621 /nfs/dbraw/zinc/39/66/21/981396621.db2.gz XXVBTEVJWUWZIB-JTQLQIEISA-N -1 0 309.431 3.946 20 0 DHADRM CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(C)C ZINC001595539099 981396692 /nfs/dbraw/zinc/39/66/92/981396692.db2.gz XXVBTEVJWUWZIB-SNVBAGLBSA-N -1 0 309.431 3.946 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595540687 981398726 /nfs/dbraw/zinc/39/87/26/981398726.db2.gz DBACFCXBILMPSH-QGZVFWFLSA-N -1 0 307.390 3.938 20 0 DHADRM CCC[C@](C)(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595541271 981400633 /nfs/dbraw/zinc/40/06/33/981400633.db2.gz KDFWMULBHIGTRY-HNNXBMFYSA-N -1 0 313.781 3.899 20 0 DHADRM CCC[C@](C)(CC)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595541891 981401954 /nfs/dbraw/zinc/40/19/54/981401954.db2.gz QEEGDLBEZBOHLE-IZTUGPKFSA-N -1 0 320.385 3.915 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595542262 981403542 /nfs/dbraw/zinc/40/35/42/981403542.db2.gz TUDNJLHMNYLOLO-QGZVFWFLSA-N -1 0 307.390 3.564 20 0 DHADRM CCC[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595542660 981404344 /nfs/dbraw/zinc/40/43/44/981404344.db2.gz XAEOAYCVFWSCGA-SCLBCKFNSA-N -1 0 321.417 3.544 20 0 DHADRM CCC[C@](C)(NC(=O)CCCCCc1ccc(F)cc1)C(=O)[O-] ZINC001595547682 981422361 /nfs/dbraw/zinc/42/23/61/981422361.db2.gz 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ZINC001595579225 981506153 /nfs/dbraw/zinc/50/61/53/981506153.db2.gz NBQJSEIIDZNXRS-WCXIOVBPSA-N -1 0 323.477 3.941 20 0 DHADRM CCC[C@H](C)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595580423 981516932 /nfs/dbraw/zinc/51/69/32/981516932.db2.gz GOFICCAVBDLBBL-ZETCQYMHSA-N -1 0 318.236 3.713 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595585694 981525329 /nfs/dbraw/zinc/52/53/29/981525329.db2.gz ADYLTRIRLKPQFW-ZBFHGGJFSA-N -1 0 323.408 3.920 20 0 DHADRM Cc1csc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000909520131 981525940 /nfs/dbraw/zinc/52/59/40/981525940.db2.gz NHHOKYRYQOGVTA-LLVKDONJSA-N -1 0 303.383 3.572 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595585995 981528598 /nfs/dbraw/zinc/52/85/98/981528598.db2.gz LESAKWPDKWKLCL-LLVKDONJSA-N -1 0 300.358 3.698 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595586374 981532139 /nfs/dbraw/zinc/53/21/39/981532139.db2.gz XOEZTVUFHGAMMV-JTQLQIEISA-N -1 0 313.781 3.568 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595587185 981539369 /nfs/dbraw/zinc/53/93/69/981539369.db2.gz DQFJNAHUTZQXOO-VHDGCEQUSA-N -1 0 304.390 3.575 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000909551936 981539425 /nfs/dbraw/zinc/53/94/25/981539425.db2.gz JRXNRFBJZFUTKO-UHFFFAOYSA-N -1 0 315.413 3.808 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001595587229 981539893 /nfs/dbraw/zinc/53/98/93/981539893.db2.gz GHQQQDUDRSTBSA-DLBZAZTESA-N -1 0 323.477 3.990 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001595587241 981539927 /nfs/dbraw/zinc/53/99/27/981539927.db2.gz GJPKFKDYQMXXAN-CVEARBPZSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1ccoc1C(=O)[O-] ZINC001595587411 981541757 /nfs/dbraw/zinc/54/17/57/981541757.db2.gz LVJXQILALNUUAR-CQSZACIVSA-N -1 0 321.417 3.981 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001595587445 981541872 /nfs/dbraw/zinc/54/18/72/981541872.db2.gz MSNDNSFYCGJBNW-OAHLLOKOSA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595587657 981543559 /nfs/dbraw/zinc/54/35/59/981543559.db2.gz UHJNYDRTVQYREM-AWEZNQCLSA-N -1 0 321.417 3.899 20 0 DHADRM C/C=C(/CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909694810 981573211 /nfs/dbraw/zinc/57/32/11/981573211.db2.gz NGGCSFIVNHLSIR-GGNHSKRRSA-N -1 0 311.381 3.828 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(C)(C)C ZINC001595600644 981582108 /nfs/dbraw/zinc/58/21/08/981582108.db2.gz UEAOEJIVBYFNNF-CYBMUJFWSA-N -1 0 310.369 3.860 20 0 DHADRM CCC[C@@H](O)CCCSCc1ccc(C(=O)[O-])c(F)c1 ZINC001595607383 981599851 /nfs/dbraw/zinc/59/98/51/981599851.db2.gz FMELXFLPCIVCTF-GFCCVEGCSA-N -1 0 300.395 3.698 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001594742783 981619179 /nfs/dbraw/zinc/61/91/79/981619179.db2.gz IDICILSPZJONAZ-AAEUAGOBSA-N -1 0 323.820 3.545 20 0 DHADRM CCCC1(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC001595616498 981645099 /nfs/dbraw/zinc/64/50/99/981645099.db2.gz YMVNYSKDBMKRIT-LLVKDONJSA-N -1 0 323.364 3.587 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595621468 981700414 /nfs/dbraw/zinc/70/04/14/981700414.db2.gz ISMAWSUNVCXMNN-PAZCZOEESA-N -1 0 319.401 3.714 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C(C)=C/C(C)(C)C)c1ccccc1 ZINC001594763999 981704100 /nfs/dbraw/zinc/70/41/00/981704100.db2.gz HTSJXGXRXAVKKT-RDRICISKSA-N -1 0 303.402 3.875 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595621908 981704347 /nfs/dbraw/zinc/70/43/47/981704347.db2.gz QMRUFXFROFCKTN-DGSCNEQVSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1CC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@@H](C)C1 ZINC000909943894 981705877 /nfs/dbraw/zinc/70/58/77/981705877.db2.gz RSRCGVUZBROUQI-IHWOHKJGSA-N -1 0 321.461 3.600 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC001594764619 981709833 /nfs/dbraw/zinc/70/98/33/981709833.db2.gz QIAAGWSTEMDQGT-BBRMVZONSA-N -1 0 303.402 3.709 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595622498 981711144 /nfs/dbraw/zinc/71/11/44/981711144.db2.gz ULPOJGKUHIVFDL-ONGXEEELSA-N -1 0 322.430 3.874 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595622631 981712733 /nfs/dbraw/zinc/71/27/33/981712733.db2.gz USFRUEOEQNVEBI-NXEZZACHSA-N -1 0 311.328 3.818 20 0 DHADRM CC(C)(C)C1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)C1 ZINC000909963659 981717028 /nfs/dbraw/zinc/71/70/28/981717028.db2.gz ZPFMJKLZCCPGPM-SVXVCFNTSA-N -1 0 321.461 3.551 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C=C1CCCCC1)c1ccccc1 ZINC001594767088 981724170 /nfs/dbraw/zinc/72/41/70/981724170.db2.gz ASAMIXNFINTIAJ-MRXNPFEDSA-N -1 0 301.386 3.773 20 0 DHADRM C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCCC1 ZINC000909992828 981732542 /nfs/dbraw/zinc/73/25/42/981732542.db2.gz ZWZNXCWJVQUDLW-FTXHTYHOSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H](C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001594773913 981749785 /nfs/dbraw/zinc/74/97/85/981749785.db2.gz DCTKIDJHQCTJIR-QEJZJMRPSA-N -1 0 308.349 3.506 20 0 DHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001594775830 981762081 /nfs/dbraw/zinc/76/20/81/981762081.db2.gz XKLSUKPQEUEWEQ-CVEARBPZSA-N -1 0 316.328 3.688 20 0 DHADRM CCCC[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001595627720 981775716 /nfs/dbraw/zinc/77/57/16/981775716.db2.gz QGSBBTZETZRLOP-XYPHTWIQSA-N -1 0 317.429 3.878 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001594780875 981785710 /nfs/dbraw/zinc/78/57/10/981785710.db2.gz ILKYAEKZLNUOJS-YRWGSWDYSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H]1CCC[C@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910243648 981812309 /nfs/dbraw/zinc/81/23/09/981812309.db2.gz OKTATGBOHOGNPC-WINGESFGSA-N -1 0 321.461 3.744 20 0 DHADRM COCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910248059 981819324 /nfs/dbraw/zinc/81/93/24/981819324.db2.gz QSZQEZIFVPEZAI-LBPRGKRZSA-N -1 0 315.369 3.539 20 0 DHADRM O=C([O-])C12CCC(C(=O)NCCC3=CCCCCC3)(CC1)CC2 ZINC000910251151 981825172 /nfs/dbraw/zinc/82/51/72/981825172.db2.gz DYROVJXPUPCXFZ-UHFFFAOYSA-N -1 0 319.445 3.808 20 0 DHADRM CCCC[C@](C)(F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595630982 981830247 /nfs/dbraw/zinc/83/02/47/981830247.db2.gz WOILWQKLVPOBSH-AWEZNQCLSA-N -1 0 302.729 3.862 20 0 DHADRM CCCC[C@@H](C)[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595631236 981835113 /nfs/dbraw/zinc/83/51/13/981835113.db2.gz IDQGFROINKJEPY-CHWSQXEVSA-N -1 0 303.406 3.748 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595631405 981837838 /nfs/dbraw/zinc/83/78/38/981837838.db2.gz OXKSINUMUHGUJK-MRVPVSSYSA-N -1 0 301.745 3.942 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cccc2Cl)s1 ZINC001594789040 981838297 /nfs/dbraw/zinc/83/82/97/981838297.db2.gz OUHMLPRZCCTREA-KCJUWKMLSA-N -1 0 323.801 3.538 20 0 DHADRM CCCC[C@H](CC)COC(=O)CS[C@@H](C(=O)[O-])C(C)(C)C ZINC001595632401 981854123 /nfs/dbraw/zinc/85/41/23/981854123.db2.gz GMGQGBLGAHLKGB-JSGCOSHPSA-N -1 0 318.479 3.979 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001595632483 981855201 /nfs/dbraw/zinc/85/52/01/981855201.db2.gz ZHKIWKKIEDZRAO-RDTXWAMCSA-N -1 0 305.418 3.709 20 0 DHADRM Cc1cc(CNC(=O)C(C)(C)C2CCCCC2)oc1C(=O)[O-] ZINC000910301901 981859943 /nfs/dbraw/zinc/85/99/43/981859943.db2.gz KQFWMGUSNGHOLI-UHFFFAOYSA-N -1 0 307.390 3.509 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595632978 981863505 /nfs/dbraw/zinc/86/35/05/981863505.db2.gz YKNXFYXLPHBSHD-HNNXBMFYSA-N -1 0 305.418 3.650 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000910336809 981877856 /nfs/dbraw/zinc/87/78/56/981877856.db2.gz IBRJRYLLVOCYFH-VHSXEESVSA-N -1 0 315.291 3.593 20 0 DHADRM CCCC[C@@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595634387 981886964 /nfs/dbraw/zinc/88/69/64/981886964.db2.gz NIQPRRUVWLJJHF-RHSMWYFYSA-N -1 0 319.445 3.748 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCC=CCCC2)c2ccccc21 ZINC000910361282 981891906 /nfs/dbraw/zinc/89/19/06/981891906.db2.gz VFGIGKPKNFEZQT-HUUCEWRRSA-N -1 0 313.397 3.728 20 0 DHADRM CCCC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634934 981895997 /nfs/dbraw/zinc/89/59/97/981895997.db2.gz QNISYWGHTQFTRQ-QSOAKEGCSA-N -1 0 317.429 3.757 20 0 DHADRM CCCC[C@H](NC(=O)C1(c2ccccc2C)CCCC1)C(=O)[O-] ZINC001595635027 981896821 /nfs/dbraw/zinc/89/68/21/981896821.db2.gz SIIPRQXCQCZAFV-INIZCTEOSA-N -1 0 317.429 3.566 20 0 DHADRM CCCC[C@H](Nc1ccn([C@H](C)c2ccccc2)n1)C(=O)[O-] ZINC001595646774 982001817 /nfs/dbraw/zinc/00/18/17/982001817.db2.gz UJYXEOQJUKZOKM-HIFRSBDPSA-N -1 0 301.390 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)c(C)s1 ZINC000910620736 982027208 /nfs/dbraw/zinc/02/72/08/982027208.db2.gz HAEHHZUHKPABBI-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)C1CC1 ZINC000910622552 982030007 /nfs/dbraw/zinc/03/00/07/982030007.db2.gz RPUIGGXPANURJL-UHFFFAOYSA-N -1 0 305.374 3.548 20 0 DHADRM CC(C)c1csc(NC(=O)c2ccccc2CCC(=O)[O-])n1 ZINC000910631473 982034206 /nfs/dbraw/zinc/03/42/06/982034206.db2.gz YCZTXBSQPKCSGX-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CC[C@@H](C)n1ncc(NC(=O)CC(C)(C)CC(=O)[O-])c1C1CC1 ZINC000910648642 982041057 /nfs/dbraw/zinc/04/10/57/982041057.db2.gz LXMHJMPYFJSSCT-LLVKDONJSA-N -1 0 321.421 3.561 20 0 DHADRM CCCC[C@H](SCc1ccc(-n2ccnc2)cc1)C(=O)[O-] ZINC001595657981 982067632 /nfs/dbraw/zinc/06/76/32/982067632.db2.gz XNKCSHNKHWHGOP-HNNXBMFYSA-N -1 0 304.415 3.749 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910697164 982068028 /nfs/dbraw/zinc/06/80/28/982068028.db2.gz NLLOEPDGQXNJJO-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCCC[C@@H](SCc1nc(CCC(C)C)no1)C(=O)[O-] ZINC001595658011 982068196 /nfs/dbraw/zinc/06/81/96/982068196.db2.gz YVCDTYZJVFJPGD-LLVKDONJSA-N -1 0 300.424 3.535 20 0 DHADRM Cc1sc([C@H]2CCCN2C(=O)CCCC(C)C)nc1C(=O)[O-] ZINC000910719635 982081529 /nfs/dbraw/zinc/08/15/29/982081529.db2.gz CJSFHHKGQWEWOB-GFCCVEGCSA-N -1 0 324.446 3.640 20 0 DHADRM CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910724734 982088746 /nfs/dbraw/zinc/08/87/46/982088746.db2.gz SYLSYLDHIAHTGQ-BZYZDCJZSA-N -1 0 322.430 3.560 20 0 DHADRM CC[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)C(C)C ZINC000910733766 982095337 /nfs/dbraw/zinc/09/53/37/982095337.db2.gz RQWMRIRMEHBRJZ-VIFPVBQESA-N -1 0 310.419 3.730 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001595666240 982098613 /nfs/dbraw/zinc/09/86/13/982098613.db2.gz GNGQPGFCNHFWDN-VQIMIIECSA-N -1 0 319.445 3.968 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)sc1C ZINC000910738258 982098974 /nfs/dbraw/zinc/09/89/74/982098974.db2.gz ZAJOCZRJMWCMIP-UHFFFAOYSA-N -1 0 322.411 3.649 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595667059 982109056 /nfs/dbraw/zinc/10/90/56/982109056.db2.gz YTLGSFHGVGEYLZ-GDBMZVCRSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595668592 982111322 /nfs/dbraw/zinc/11/13/22/982111322.db2.gz BQMZQOJFXJXUAI-ZDUSSCGKSA-N -1 0 303.402 3.880 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001595669255 982113207 /nfs/dbraw/zinc/11/32/07/982113207.db2.gz GWVTYRZPYXPFJZ-DOMZBBRYSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001595671702 982124454 /nfs/dbraw/zinc/12/44/54/982124454.db2.gz AUTGMNJGRNAXFR-ZFWWWQNUSA-N -1 0 323.820 3.520 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001595672163 982130377 /nfs/dbraw/zinc/13/03/77/982130377.db2.gz MFDVDDOBMRHOHR-IRXDYDNUSA-N -1 0 319.445 3.966 20 0 DHADRM Cc1c(C(=O)NCC(C)(C)CC(=O)[O-])sc2cccc(F)c12 ZINC000910824510 982141096 /nfs/dbraw/zinc/14/10/96/982141096.db2.gz SCISNAAHPWLLQZ-UHFFFAOYSA-N -1 0 323.389 3.580 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC001595681716 982163748 /nfs/dbraw/zinc/16/37/48/982163748.db2.gz UNOVFJXVORVOHH-LBPRGKRZSA-N -1 0 317.307 3.527 20 0 DHADRM CCCCC[C@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001595681740 982164444 /nfs/dbraw/zinc/16/44/44/982164444.db2.gz UJAQLJNLPGUREX-ZDUSSCGKSA-N -1 0 323.776 3.850 20 0 DHADRM CCCCC[C@@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001595683213 982170392 /nfs/dbraw/zinc/17/03/92/982170392.db2.gz MWIIUGYXLCLHFG-OAHLLOKOSA-N -1 0 318.442 3.933 20 0 DHADRM CSc1ccc(NC(=O)c2[nH]ccc2C2CC2)cc1C(=O)[O-] ZINC000910945924 982170853 /nfs/dbraw/zinc/17/08/53/982170853.db2.gz DZVAZDYJCVRWJH-UHFFFAOYSA-N -1 0 316.382 3.565 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC000910951381 982174099 /nfs/dbraw/zinc/17/40/99/982174099.db2.gz HDRMDIMWABIELJ-UHFFFAOYSA-N -1 0 321.392 3.598 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001594872768 982189486 /nfs/dbraw/zinc/18/94/86/982189486.db2.gz FQHPNCVHBKSGJQ-AAEUAGOBSA-N -1 0 303.402 3.655 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595695329 982217998 /nfs/dbraw/zinc/21/79/98/982217998.db2.gz RYRMMGHNADGZMO-LBPRGKRZSA-N -1 0 307.390 3.944 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595697187 982238246 /nfs/dbraw/zinc/23/82/46/982238246.db2.gz HNPUGBCMLWXUBN-GDBMZVCRSA-N -1 0 324.465 3.798 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001595697966 982247378 /nfs/dbraw/zinc/24/73/78/982247378.db2.gz OGVKGZIMLAETQY-NNGSBXSVSA-N -1 0 309.450 3.696 20 0 DHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594883690 982255383 /nfs/dbraw/zinc/25/53/83/982255383.db2.gz VZDDDGGEAAPCOG-SFYZADRCSA-N -1 0 316.760 3.733 20 0 DHADRM CCCCCC[C@H]1CCC[C@@H]1Nc1cnn(CC(=O)[O-])c1C ZINC001595703521 982269405 /nfs/dbraw/zinc/26/94/05/982269405.db2.gz UGIZUFPXNQCKEI-GJZGRUSLSA-N -1 0 307.438 3.827 20 0 DHADRM CCCCCCN(Cc1ccc(C)o1)Cc1oncc1C(=O)[O-] ZINC001595708703 982285310 /nfs/dbraw/zinc/28/53/10/982285310.db2.gz BZVSQAXXXQYKFZ-UHFFFAOYSA-N -1 0 320.389 3.857 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001595710879 982296623 /nfs/dbraw/zinc/29/66/23/982296623.db2.gz MYHDEHCBZNJOLT-UONOGXRCSA-N -1 0 321.417 3.799 20 0 DHADRM CCCCCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595712073 982303848 /nfs/dbraw/zinc/30/38/48/982303848.db2.gz GULMWGQOYUPPFA-UHFFFAOYSA-N -1 0 316.760 3.879 20 0 DHADRM CCC[C@H](CC)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000911313397 982334010 /nfs/dbraw/zinc/33/40/10/982334010.db2.gz HKCOAVVWZSBNIV-NEPJUHHUSA-N -1 0 309.431 3.560 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCC[C@H](C)C1 ZINC001595731758 982364128 /nfs/dbraw/zinc/36/41/28/982364128.db2.gz HQGUJNRSWCNKEG-GXTWGEPZSA-N -1 0 306.406 3.534 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001594911326 982414378 /nfs/dbraw/zinc/41/43/78/982414378.db2.gz BDLFBUPMTOEIIY-DOMZBBRYSA-N -1 0 305.418 3.603 20 0 DHADRM CCCCNc1nc2ccccc2n1Cc1ccc(C(=O)[O-])o1 ZINC001595763729 982474665 /nfs/dbraw/zinc/47/46/65/982474665.db2.gz SKKQPGFXWRNLQP-UHFFFAOYSA-N -1 0 313.357 3.588 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000911560589 982503208 /nfs/dbraw/zinc/50/32/08/982503208.db2.gz DDXWFSCRMFYKSB-CYBMUJFWSA-N -1 0 318.417 3.505 20 0 DHADRM CCCCOc1ccc(NCc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC001595780449 982548803 /nfs/dbraw/zinc/54/88/03/982548803.db2.gz ACNMBAWJEFAVDP-UHFFFAOYSA-N -1 0 316.401 3.823 20 0 DHADRM CCCCOc1ccc(NCc2ccc(C(=O)[O-])cc2)cn1 ZINC001595780562 982550041 /nfs/dbraw/zinc/55/00/41/982550041.db2.gz GDQSIGTXIUWJDF-UHFFFAOYSA-N -1 0 300.358 3.571 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC001594930457 982552799 /nfs/dbraw/zinc/55/27/99/982552799.db2.gz XGRPBRILKJWMFG-KCJUWKMLSA-N -1 0 321.427 3.535 20 0 DHADRM CCCCSCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595788895 982585636 /nfs/dbraw/zinc/58/56/36/982585636.db2.gz GYJLRDFNMPMJKM-UHFFFAOYSA-N -1 0 319.785 3.649 20 0 DHADRM CCCCSCCC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC001595788990 982586666 /nfs/dbraw/zinc/58/66/66/982586666.db2.gz HUQCWINEHWXNLL-UHFFFAOYSA-N -1 0 323.458 3.726 20 0 DHADRM CCCCSCC(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001595788992 982586950 /nfs/dbraw/zinc/58/69/50/982586950.db2.gz HYPPUNKYZUCHBY-UHFFFAOYSA-N -1 0 315.822 3.818 20 0 DHADRM CCCCc1cc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ncn1 ZINC001595794025 982598127 /nfs/dbraw/zinc/59/81/27/982598127.db2.gz VNLLSIYYZIZAFC-JKSUJKDBSA-N -1 0 311.385 3.751 20 0 DHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000911693701 982602930 /nfs/dbraw/zinc/60/29/30/982602930.db2.gz XLJDUSMPAMWOHO-MRVWCRGKSA-N -1 0 315.369 3.501 20 0 DHADRM CCCCc1nc(Cn2nc(C)c([C@@H](C)C(=O)[O-])c2C)cs1 ZINC001595799476 982613784 /nfs/dbraw/zinc/61/37/84/982613784.db2.gz TVEDRKYTMMCYOI-SNVBAGLBSA-N -1 0 321.446 3.535 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(SC2CC2)cc1)C(=O)[O-] ZINC001594945928 982636594 /nfs/dbraw/zinc/63/65/94/982636594.db2.gz JOLYZQNMJBEMCI-XHDPSFHLSA-N -1 0 321.442 3.560 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001594946865 982644448 /nfs/dbraw/zinc/64/44/48/982644448.db2.gz SXCMSCCAWVTUDX-DYVFJYSZSA-N -1 0 315.413 3.873 20 0 DHADRM Cc1nc2ccccc2cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000914731681 982658256 /nfs/dbraw/zinc/65/82/56/982658256.db2.gz LVURIPUTJPBIJB-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM CC[C@@H](C)C[C@@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594952792 982673916 /nfs/dbraw/zinc/67/39/16/982673916.db2.gz MTKCLJXEWKUSIV-NOZJJQNGSA-N -1 0 307.781 3.585 20 0 DHADRM CCCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C(C)C ZINC001595823097 982697001 /nfs/dbraw/zinc/69/70/01/982697001.db2.gz SANLZPDXQXONEU-LSDHHAIUSA-N -1 0 304.390 3.527 20 0 DHADRM O=C([O-])CN(C(=O)c1ccsc1C(F)F)C1CCCCC1 ZINC000923060209 982700169 /nfs/dbraw/zinc/70/01/69/982700169.db2.gz PUCPNPCYILCDPT-UHFFFAOYSA-N -1 0 317.357 3.545 20 0 DHADRM CCCN(C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC001595823866 982701324 /nfs/dbraw/zinc/70/13/24/982701324.db2.gz ZLSQUQMIXCWJBI-CYBMUJFWSA-N -1 0 306.406 3.602 20 0 DHADRM CC[C@@H](C)CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594959117 982703734 /nfs/dbraw/zinc/70/37/34/982703734.db2.gz LPNBIGAEOVUUMX-UKRRQHHQSA-N -1 0 320.433 3.574 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001594959097 982703977 /nfs/dbraw/zinc/70/39/77/982703977.db2.gz KYFSEOORYUVRRD-LLVKDONJSA-N -1 0 317.389 3.806 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1scnc1C(C)C ZINC000923097291 982722136 /nfs/dbraw/zinc/72/21/36/982722136.db2.gz YKRSIZVWLHAXAA-UHFFFAOYSA-N -1 0 310.400 3.587 20 0 DHADRM CC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C)C1CCC(C)CC1 ZINC000923155637 982771632 /nfs/dbraw/zinc/77/16/32/982771632.db2.gz PCGAYNUTMLXQKP-YLZDHBLKSA-N -1 0 309.450 3.551 20 0 DHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000008690454 1014871446 /nfs/dbraw/zinc/87/14/46/1014871446.db2.gz WPVQRESUFMNROH-UHFFFAOYSA-N -1 0 318.442 3.878 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594983841 982790157 /nfs/dbraw/zinc/79/01/57/982790157.db2.gz QISAMCUQRAVFIG-SNVBAGLBSA-N -1 0 303.362 3.518 20 0 DHADRM CCCN(CCC)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595873728 982863105 /nfs/dbraw/zinc/86/31/05/982863105.db2.gz XYJCRIHXXOBCJL-UHFFFAOYSA-N -1 0 316.760 3.831 20 0 DHADRM CCCN(c1nc(C)cc(C(=O)[O-])n1)[C@@H](CC)c1ccccc1 ZINC001595894400 982928299 /nfs/dbraw/zinc/92/82/99/982928299.db2.gz BTQWWZFHAHSGQR-INIZCTEOSA-N -1 0 313.401 3.851 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001116906432 982936020 /nfs/dbraw/zinc/93/60/20/982936020.db2.gz JNKKLFBFUFUQEQ-JXFKEZNVSA-N -1 0 321.376 3.536 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001595010089 982938513 /nfs/dbraw/zinc/93/85/13/982938513.db2.gz MZDMQXHADYTIKK-WWGRRREGSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC001595013584 982948492 /nfs/dbraw/zinc/94/84/92/982948492.db2.gz JXJSFHREHPQKET-SRVKXCTJSA-N -1 0 309.431 3.733 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)NCCCCCC(=O)[O-])c1 ZINC001595013615 982948527 /nfs/dbraw/zinc/94/85/27/982948527.db2.gz KYEFDKROJWAYGF-ZDUSSCGKSA-N -1 0 306.406 3.967 20 0 DHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001118914098 982966981 /nfs/dbraw/zinc/96/69/81/982966981.db2.gz NZFCTPCNRGDGHZ-JKSUJKDBSA-N -1 0 309.365 3.744 20 0 DHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC000443407362 1014899437 /nfs/dbraw/zinc/89/94/37/1014899437.db2.gz DARCUXUELKOYAG-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM O=C(Nc1ncccc1O)C1(c2cccs2)CCCCC1 ZINC000341095327 1014907329 /nfs/dbraw/zinc/90/73/29/1014907329.db2.gz IDDWEMWQIZOQGI-UHFFFAOYSA-N -1 0 302.399 3.689 20 0 DHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000443425672 1014910254 /nfs/dbraw/zinc/91/02/54/1014910254.db2.gz YEXNTZNRSNAYQA-UHFFFAOYSA-N -1 0 310.806 3.659 20 0 DHADRM CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595936802 983079928 /nfs/dbraw/zinc/07/99/28/983079928.db2.gz PTGHBXXGCPJQDK-WDEREUQCSA-N -1 0 324.808 3.601 20 0 DHADRM CCCOC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595939814 983088467 /nfs/dbraw/zinc/08/84/67/983088467.db2.gz DQYGYGMNRVKHGM-CQSZACIVSA-N -1 0 307.390 3.636 20 0 DHADRM CCCOc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1OC ZINC001595966129 983171334 /nfs/dbraw/zinc/17/13/34/983171334.db2.gz DTVWMTBZICOQEL-UHFFFAOYSA-N -1 0 321.417 3.929 20 0 DHADRM CCCSCC(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001595987029 983234685 /nfs/dbraw/zinc/23/46/85/983234685.db2.gz KDVPZUCPMGGFQB-UHFFFAOYSA-N -1 0 303.383 3.620 20 0 DHADRM CCCc1c(C(=O)N(C)[C@H]2CCC(C)(C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596029867 983296861 /nfs/dbraw/zinc/29/68/61/983296861.db2.gz QIDAWQGOOHRCIQ-LBPRGKRZSA-N -1 0 320.433 3.625 20 0 DHADRM CCCc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])ccc1Cl ZINC001596053229 983353762 /nfs/dbraw/zinc/35/37/62/983353762.db2.gz MGZMUIMWOOJXAT-IAQYHMDHSA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001596060855 983370167 /nfs/dbraw/zinc/37/01/67/983370167.db2.gz XFWKRGCSGNSTMB-QGZVFWFLSA-N -1 0 317.429 3.793 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001596063140 983374216 /nfs/dbraw/zinc/37/42/16/983374216.db2.gz ROTVAUFZXZDAJK-UHFFFAOYSA-N -1 0 315.344 3.658 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC(=O)[O-] ZINC001596069465 983384379 /nfs/dbraw/zinc/38/43/79/983384379.db2.gz YRYJUMDKEBTUKK-LBPRGKRZSA-N -1 0 306.406 3.747 20 0 DHADRM CCCc1nc(C)c(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])o1 ZINC001596082223 983398810 /nfs/dbraw/zinc/39/88/10/983398810.db2.gz NIPKELQTROWIHD-UHFFFAOYSA-N -1 0 323.732 3.506 20 0 DHADRM CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596130691 983476427 /nfs/dbraw/zinc/47/64/27/983476427.db2.gz ATWLXFAHXIHRSV-WDNDVIMCSA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)CC(C)(C)CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001596134372 983483693 /nfs/dbraw/zinc/48/36/93/983483693.db2.gz XFUKTTBHDGCASD-UHFFFAOYSA-N -1 0 315.772 3.723 20 0 DHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1C ZINC001596143096 983496080 /nfs/dbraw/zinc/49/60/80/983496080.db2.gz LPMWKQSKBVKBHK-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)C(C)C ZINC001596150285 983509745 /nfs/dbraw/zinc/50/97/45/983509745.db2.gz GPECZXBJOXSNFQ-VIFPVBQESA-N -1 0 314.332 3.561 20 0 DHADRM CCN(CC(C)(C)C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001596229694 983621650 /nfs/dbraw/zinc/62/16/50/983621650.db2.gz GENWORLMSWVUER-LBPRGKRZSA-N -1 0 323.458 3.760 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])c(C)n1C)c1ccc2[nH]ccc2c1 ZINC001596354263 983815997 /nfs/dbraw/zinc/81/59/97/983815997.db2.gz GZOCGWQSSDKDBD-UHFFFAOYSA-N -1 0 311.385 3.540 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1OC)c1cccc(C)c1F ZINC001596356474 983824617 /nfs/dbraw/zinc/82/46/17/983824617.db2.gz OWPXSUJUCZFEET-UHFFFAOYSA-N -1 0 317.360 3.867 20 0 DHADRM CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H](C)C(F)(F)F ZINC001596359337 983832620 /nfs/dbraw/zinc/83/26/20/983832620.db2.gz DRKKUXMFVYPOEK-NSHDSACASA-N -1 0 315.335 3.576 20 0 DHADRM C=C/C(C)=C\CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588683841 983852542 /nfs/dbraw/zinc/85/25/42/983852542.db2.gz FTJAYDNHOCSISY-XFXZXTDPSA-N -1 0 303.358 3.633 20 0 DHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccccc1Cl ZINC000033627750 1014997458 /nfs/dbraw/zinc/99/74/58/1014997458.db2.gz RRKKKHQCINRBON-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM CC[C@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512423 1015020923 /nfs/dbraw/zinc/02/09/23/1015020923.db2.gz DNAWTZZLBKGIGS-KGLIPLIRSA-N -1 0 319.401 3.535 20 0 DHADRM CCOC(=O)/C=C\CSc1cc2ccccc2cc1C(=O)[O-] ZINC001596584451 984503848 /nfs/dbraw/zinc/50/38/48/984503848.db2.gz VPRULWGLPYUZAW-YVMONPNESA-N -1 0 316.378 3.749 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000909514292 1015045669 /nfs/dbraw/zinc/04/56/69/1015045669.db2.gz XXPNIGQEDVVKNL-UHFFFAOYSA-N -1 0 316.357 3.503 20 0 DHADRM C=Cc1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588919303 984571062 /nfs/dbraw/zinc/57/10/62/984571062.db2.gz GXQWASIWYAKMFQ-UHFFFAOYSA-N -1 0 307.349 3.621 20 0 DHADRM C=Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001588919274 984571142 /nfs/dbraw/zinc/57/11/42/984571142.db2.gz FJWSGCSNYDHIOF-QGZVFWFLSA-N -1 0 323.392 3.912 20 0 DHADRM C=Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC001588920442 984578083 /nfs/dbraw/zinc/57/80/83/984578083.db2.gz ZMBJRZJCIVROIF-HNNXBMFYSA-N -1 0 307.349 3.548 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001588944177 984644960 /nfs/dbraw/zinc/64/49/60/984644960.db2.gz RGKATPLQDPLKDZ-XYOKQWHBSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001588944499 984648234 /nfs/dbraw/zinc/64/82/34/984648234.db2.gz YFXHIXHBJZGOPJ-ZRDIBKRKSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C\C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001588944501 984648305 /nfs/dbraw/zinc/64/83/05/984648305.db2.gz YGPWITJQHWEHJY-SLKVGHROSA-N -1 0 321.376 3.917 20 0 DHADRM C[C@H](C(=O)Oc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001599888598 984666941 /nfs/dbraw/zinc/66/69/41/984666941.db2.gz QYMMBIWHMIYDKE-JTQLQIEISA-N -1 0 304.729 3.747 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001599889584 984678474 /nfs/dbraw/zinc/67/84/74/984678474.db2.gz SDUZMUNNTQDISM-VSYUYLJXSA-N -1 0 317.168 3.503 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nnc(-c2ccccc2Cl)o1 ZINC001588951715 984681838 /nfs/dbraw/zinc/68/18/38/984681838.db2.gz DWTGUKXCLYZQGB-SOFGYWHQSA-N -1 0 310.762 3.513 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)c1sc2cc(F)ccc2c1Cl ZINC001599889987 984683151 /nfs/dbraw/zinc/68/31/51/984683151.db2.gz GKDPAEMIESJXNV-ZCFIWIBFSA-N -1 0 316.737 3.714 20 0 DHADRM C/C(=C/C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588952913 984689485 /nfs/dbraw/zinc/68/94/85/984689485.db2.gz DPDVWAYWWAVQEX-JUDLJHIGSA-N -1 0 318.300 3.825 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588955950 984700455 /nfs/dbraw/zinc/70/04/55/984700455.db2.gz DQOMRPDCIJVCAI-SDNWHVSQSA-N -1 0 315.413 3.774 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588956196 984702663 /nfs/dbraw/zinc/70/26/63/984702663.db2.gz IPNSOKJCOQSFAI-SQFISAMPSA-N -1 0 321.461 3.862 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001588956348 984703687 /nfs/dbraw/zinc/70/36/87/984703687.db2.gz LYUMCMOHGORWRB-YOTHFQRASA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\CN(Cc1ccco1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588959396 984722945 /nfs/dbraw/zinc/72/29/45/984722945.db2.gz YEYMQGRJTIWHOZ-XYOKQWHBSA-N -1 0 305.761 3.971 20 0 DHADRM C/C(=C/CN1CCc2cc(-c3cccc(F)c3)ccc21)C(=O)[O-] ZINC001588961030 984732378 /nfs/dbraw/zinc/73/23/78/984732378.db2.gz DDKMRHURFHIVGL-QPEQYQDCSA-N -1 0 311.356 3.886 20 0 DHADRM C[C@@H]1C[C@H](Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC001599905257 984913694 /nfs/dbraw/zinc/91/36/94/984913694.db2.gz CRRZQTWCHJXGRO-IWIIMEHWSA-N -1 0 305.399 3.967 20 0 DHADRM CC(=C\c1ccc(Cl)cc1)/C=C(\C(=O)[O-])c1ncccn1 ZINC001588998120 984934122 /nfs/dbraw/zinc/93/41/22/984934122.db2.gz INJCQQKKQVCPNI-VDVFTDKOSA-N -1 0 300.745 3.702 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1(C)C ZINC001599908312 984951139 /nfs/dbraw/zinc/95/11/39/984951139.db2.gz SKNCWZUCPDCXFK-VOJFVSQTSA-N -1 0 321.392 3.854 20 0 DHADRM CC(=O)[C@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC001589024242 985031550 /nfs/dbraw/zinc/03/15/50/985031550.db2.gz GZWAGMATBJXKQA-SNVBAGLBSA-N -1 0 321.320 3.504 20 0 DHADRM CC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCCC1 ZINC000581634859 1015100255 /nfs/dbraw/zinc/10/02/55/1015100255.db2.gz IMLQARGIAXXBPJ-UHFFFAOYSA-N -1 0 301.308 3.510 20 0 DHADRM Cc1c(NC(=O)c2ccc(C(=O)[O-])o2)cccc1C(F)(F)F ZINC000191563353 1015107481 /nfs/dbraw/zinc/10/74/81/1015107481.db2.gz QUQJTURJZZSNPH-UHFFFAOYSA-N -1 0 313.231 3.557 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599935056 985381462 /nfs/dbraw/zinc/38/14/62/985381462.db2.gz SUFWSQBMJJTBNG-DOPJRALCSA-N -1 0 323.392 3.642 20 0 DHADRM Cc1[nH]c(=O)nc(SCCC2CCCCCC2)c1C(=O)[O-] ZINC001599941970 985465594 /nfs/dbraw/zinc/46/55/94/985465594.db2.gz GDPMYBCIVDXISQ-UHFFFAOYSA-N -1 0 310.419 3.641 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001594479511 985516593 /nfs/dbraw/zinc/51/65/93/985516593.db2.gz LOGPOAVYXJSLOK-IFUGULHKSA-N -1 0 320.364 3.566 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594481642 985530518 /nfs/dbraw/zinc/53/05/18/985530518.db2.gz XQKNKJKBHGBIOW-HZMBPMFUSA-N -1 0 316.382 3.671 20 0 DHADRM CCO[C@H]1C[C@@H](Nc2nc(C(=O)[O-])c(C)s2)C1(CC)CC ZINC001596843489 985533826 /nfs/dbraw/zinc/53/38/26/985533826.db2.gz SDXPQXLDLFOSBG-MNOVXSKESA-N -1 0 312.435 3.545 20 0 DHADRM Cc1[nH]c(C(=O)N(C)C[C@@H](C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001599949634 985586183 /nfs/dbraw/zinc/58/61/83/985586183.db2.gz MDWTZCYVZMUUGY-LLVKDONJSA-N -1 0 320.433 3.618 20 0 DHADRM CC(=O)Nc1ccc(SC[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001589204358 985661646 /nfs/dbraw/zinc/66/16/46/985661646.db2.gz WOXLIGFGSFTENN-WFASDCNBSA-N -1 0 307.415 3.628 20 0 DHADRM CC(=O)Nc1ccc(SC[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001589204355 985661826 /nfs/dbraw/zinc/66/18/26/985661826.db2.gz WOXLIGFGSFTENN-DOMZBBRYSA-N -1 0 307.415 3.628 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCC(C)(CC(C)C)CC1 ZINC001599956254 985694629 /nfs/dbraw/zinc/69/46/29/985694629.db2.gz OSGCMVJKWHLYIV-UHFFFAOYSA-N -1 0 320.433 3.618 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS[C@H](C)c1ccc(F)cc1 ZINC001599960398 985770146 /nfs/dbraw/zinc/77/01/46/985770146.db2.gz HGKXLIXBCMTSIG-SNVBAGLBSA-N -1 0 321.373 3.838 20 0 DHADRM Cc1[nH]c(CN2CCc3ccc(C(C)C)cc3C2)cc1C(=O)[O-] ZINC001599964542 985875247 /nfs/dbraw/zinc/87/52/47/985875247.db2.gz MMUBRKWPTLXAHT-UHFFFAOYSA-N -1 0 312.413 3.703 20 0 DHADRM CC(=O)c1ccc(OC[C@@H]2CCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001589291145 986036206 /nfs/dbraw/zinc/03/62/06/986036206.db2.gz UDHDNAXOZSWXET-QWHCGFSZSA-N -1 0 310.777 3.812 20 0 DHADRM CCON(CC1CCCCC1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596963720 986162201 /nfs/dbraw/zinc/16/22/01/986162201.db2.gz PDNZYPMXRPFASI-MRXNPFEDSA-N -1 0 309.381 3.785 20 0 DHADRM CCOCc1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001596966137 986173331 /nfs/dbraw/zinc/17/33/31/986173331.db2.gz OEUQYXPJVATPLI-UHFFFAOYSA-N -1 0 314.385 3.739 20 0 DHADRM CCON(Cc1ccc(C(=O)[O-])cc1F)CC1CCCCC1 ZINC001596968146 986180330 /nfs/dbraw/zinc/18/03/30/986180330.db2.gz BKTKLJCLZJIRFR-UHFFFAOYSA-N -1 0 309.381 3.858 20 0 DHADRM Cc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccn1C(C)C ZINC001599983708 986200073 /nfs/dbraw/zinc/20/00/73/986200073.db2.gz BEDKIXGJNOKKSN-LBPRGKRZSA-N -1 0 314.385 3.818 20 0 DHADRM O=C([N-]OCc1ccccc1)[C@H](c1ccncc1)C1CCCC1 ZINC000895544832 1015198961 /nfs/dbraw/zinc/19/89/61/1015198961.db2.gz OEAZMTKGCXWKNQ-SFHVURJKSA-N -1 0 310.397 3.603 20 0 DHADRM C[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)[C@H](C)C(C)(C)C ZINC001589342279 986266474 /nfs/dbraw/zinc/26/64/74/986266474.db2.gz HUUMAKJRVFPSDC-OLZOCXBDSA-N -1 0 323.408 3.952 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC1=CCCCC1 ZINC001597016141 986375582 /nfs/dbraw/zinc/37/55/82/986375582.db2.gz LXDJYIDACYNIIX-UHFFFAOYSA-N -1 0 303.358 3.613 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](C)C(C)(C)C ZINC001597022754 986424531 /nfs/dbraw/zinc/42/45/31/986424531.db2.gz ZXFNIUMOBOZOJT-NSHDSACASA-N -1 0 322.405 3.587 20 0 DHADRM CCOc1cc(Cl)ccc1NCc1ncc(C(=O)[O-])s1 ZINC001597036647 986478963 /nfs/dbraw/zinc/47/89/63/986478963.db2.gz LAUQBHKNVMNQCJ-UHFFFAOYSA-N -1 0 312.778 3.506 20 0 DHADRM C[C@H](C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[C@H](C)C(C)(C)C ZINC001589385815 986480559 /nfs/dbraw/zinc/48/05/59/986480559.db2.gz NNPNTEWKHFRQOZ-KCQAQPDRSA-N -1 0 311.466 3.845 20 0 DHADRM C[C@@H]1CSc2ccccc2N1Cc1ccccc1CC(=O)[O-] ZINC001594612892 986614683 /nfs/dbraw/zinc/61/46/83/986614683.db2.gz XQJHPWFXCODUIX-CYBMUJFWSA-N -1 0 313.422 3.815 20 0 DHADRM C[C@@H]1CSc2ccccc2N1Cc1cc(C(=O)[O-])cs1 ZINC001594612959 986615389 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C[C@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001589440461 986786283 /nfs/dbraw/zinc/78/62/83/986786283.db2.gz XWYOIJNJCNCTRG-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@H](C(=O)Nc1ccsc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589444039 986794530 /nfs/dbraw/zinc/79/45/30/986794530.db2.gz HZZFFFCNLKQAAS-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)[C@H](C)C(C)(C)C ZINC001589444520 986800273 /nfs/dbraw/zinc/80/02/73/986800273.db2.gz MRLNJRMAAWBTCB-BDAKNGLRSA-N -1 0 324.446 3.976 20 0 DHADRM CCOc1ccc(OC)cc1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001597130580 986849494 /nfs/dbraw/zinc/84/94/94/986849494.db2.gz PQJBFKINUQCAEU-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM C[C@@H]1Oc2ccccc2[C@@H]1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655158 986888328 /nfs/dbraw/zinc/88/83/28/986888328.db2.gz NAPAPSIOWGWPAO-AMKSKSKJSA-N -1 0 317.772 3.578 20 0 DHADRM CCOc1ccc([C@H](C)OC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597142907 986894506 /nfs/dbraw/zinc/89/45/06/986894506.db2.gz 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ZINC001594686594 987068343 /nfs/dbraw/zinc/06/83/43/987068343.db2.gz ZDDRVBONIOEQRA-DLGQBQFBSA-N -1 0 320.364 3.734 20 0 DHADRM CC/C(=C\C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594690831 987084086 /nfs/dbraw/zinc/08/40/86/987084086.db2.gz JSMZTYDKFQZAIY-NTCAYCPXSA-N -1 0 315.413 3.550 20 0 DHADRM CCOc1ncc(C)cc1NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001597198379 987098146 /nfs/dbraw/zinc/09/81/46/987098146.db2.gz YZYFIGRYQMJLEE-UHFFFAOYSA-N -1 0 317.389 3.551 20 0 DHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001589504828 987116180 /nfs/dbraw/zinc/11/61/80/987116180.db2.gz NNDZOXGLMNJMHL-NWDGAFQWSA-N -1 0 316.357 3.693 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001589512219 987147706 /nfs/dbraw/zinc/14/77/06/987147706.db2.gz IOBRTAUOUOTUAC-RSUWNVLCSA-N -1 0 318.417 3.821 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC001589521830 987170846 /nfs/dbraw/zinc/17/08/46/987170846.db2.gz FUYRXFPAMWYSMA-CMPLNLGQSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2CC(C(C)(C)C)C2)c1 ZINC001589523247 987187182 /nfs/dbraw/zinc/18/71/82/987187182.db2.gz WBAMJACYBWDRAK-XGNXJENSSA-N -1 0 303.402 3.886 20 0 DHADRM CCC(=O)c1ccc(C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC001594717514 987195337 /nfs/dbraw/zinc/19/53/37/987195337.db2.gz YWDIVUXYDJZJMK-UHFFFAOYSA-N -1 0 312.321 3.505 20 0 DHADRM CCC(=O)c1c(Cl)cccc1N1CCC(CC(=O)[O-])CC1 ZINC001594718865 987200174 /nfs/dbraw/zinc/20/01/74/987200174.db2.gz YVTOOFCVAOUIQR-UHFFFAOYSA-N -1 0 309.793 3.624 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2nccc3ccccc32)c1 ZINC001589531912 987208251 /nfs/dbraw/zinc/20/82/51/987208251.db2.gz KRVMQYGVSHNKAS-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(Cl)c2F)c1 ZINC001589532115 987210534 /nfs/dbraw/zinc/21/05/34/987210534.db2.gz MQACTFMHRJAWIS-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC001589532371 987213989 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CCSCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597264871 987292122 /nfs/dbraw/zinc/29/21/22/987292122.db2.gz AUVVMVCNUCSEJH-ZIAGYGMSSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1ccnc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC001597267199 987300850 /nfs/dbraw/zinc/30/08/50/987300850.db2.gz HEZKTUQXGXONQF-IACUBPJLSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001597272674 987322654 /nfs/dbraw/zinc/32/26/54/987322654.db2.gz IGPCSINJHQBPBZ-UHFFFAOYSA-N -1 0 307.396 3.811 20 0 DHADRM CCSc1cccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001597277065 987332781 /nfs/dbraw/zinc/33/27/81/987332781.db2.gz FBNYZPLMECMJRX-UHFFFAOYSA-N -1 0 305.355 3.651 20 0 DHADRM CCSc1cccc(NC(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001597277601 987337400 /nfs/dbraw/zinc/33/74/00/987337400.db2.gz WHNKHWSPCFJELT-UHFFFAOYSA-N -1 0 317.370 3.536 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC001597286039 987364277 /nfs/dbraw/zinc/36/42/77/987364277.db2.gz 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ZINC001597445217 987815949 /nfs/dbraw/zinc/81/59/49/987815949.db2.gz ICNPGXQJQCUMPJ-UHFFFAOYSA-N -1 0 315.394 3.750 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001597449326 987832592 /nfs/dbraw/zinc/83/25/92/987832592.db2.gz AVUFAFURKOTPHT-CABCVRRESA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccsc1 ZINC001597450621 987840828 /nfs/dbraw/zinc/84/08/28/987840828.db2.gz ZFRHBOXYCMQXOG-ZZXKWVIFSA-N -1 0 301.367 3.661 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccc(C)o1 ZINC001597452703 987850763 /nfs/dbraw/zinc/85/07/63/987850763.db2.gz HYIWGKZZYSFULH-UHFFFAOYSA-N -1 0 316.357 3.513 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(CCCC2)C1 ZINC001597452996 987852468 /nfs/dbraw/zinc/85/24/68/987852468.db2.gz JSFHENIPKNTTEZ-UHFFFAOYSA-N -1 0 316.401 3.745 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@](C)(CC)C1 ZINC001597453849 987857573 /nfs/dbraw/zinc/85/75/73/987857573.db2.gz UDUXWNSIQTWQTM-GOSISDBHSA-N -1 0 318.417 3.991 20 0 DHADRM 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HXZIYYYWDSZONG-UHFFFAOYSA-N -1 0 309.749 3.600 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001589727772 987924634 /nfs/dbraw/zinc/92/46/34/987924634.db2.gz BDOYHFDRGPDQJV-UONOGXRCSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589728399 987931433 /nfs/dbraw/zinc/93/14/33/987931433.db2.gz KNJSOCNHSZFUHV-HOTGVXAUSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001589729060 987939796 /nfs/dbraw/zinc/93/97/96/987939796.db2.gz ROSKDHILSXSJAO-GQKFXUNGSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001589729152 987940929 /nfs/dbraw/zinc/94/09/29/987940929.db2.gz UKYGBEIKLYSZMW-BYNSBNAKSA-N -1 0 324.465 3.534 20 0 DHADRM CS[C@@H](CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(C)(C)C ZINC001599787091 987941444 /nfs/dbraw/zinc/94/14/44/987941444.db2.gz MFOSLWPMWDTLHR-ZDUSSCGKSA-N -1 0 324.446 3.592 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001589732388 987960702 /nfs/dbraw/zinc/96/07/02/987960702.db2.gz JYNLPNYDUDFPEH-GFCCVEGCSA-N -1 0 322.380 3.814 20 0 DHADRM CS[C@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788971 987974219 /nfs/dbraw/zinc/97/42/19/987974219.db2.gz LUJKWDMUFOWDHV-HOCLYGCPSA-N -1 0 320.458 3.681 20 0 DHADRM CCc1cc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)nc(CC)n1 ZINC001597482543 987979423 /nfs/dbraw/zinc/97/94/23/987979423.db2.gz LFSIEDNJKCHHIT-LBPRGKRZSA-N -1 0 313.401 3.608 20 0 DHADRM CCc1cc(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1F ZINC001597482726 987981162 /nfs/dbraw/zinc/98/11/62/987981162.db2.gz WQIRLBJXCDADNG-LBPRGKRZSA-N -1 0 317.360 3.852 20 0 DHADRM CC(C)(C)C[C@@H](Nc1nccc(C(=O)[O-])n1)c1ccc(F)cc1 ZINC001589757224 988072256 /nfs/dbraw/zinc/07/22/56/988072256.db2.gz OYMRUWSLQRIZGN-CQSZACIVSA-N -1 0 317.364 3.903 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001597503684 988073579 /nfs/dbraw/zinc/07/35/79/988073579.db2.gz WIXOAQDWCHIXFP-UHFFFAOYSA-N -1 0 308.337 3.681 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC[C@H](O)c2ccccc2Cl)c1 ZINC001597506404 988076023 /nfs/dbraw/zinc/07/60/23/988076023.db2.gz DLWDCBFWNVBXSB-HNNXBMFYSA-N -1 0 320.772 3.713 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2ccc(C(C)C)cn2)c1 ZINC001597507233 988082734 /nfs/dbraw/zinc/08/27/34/988082734.db2.gz VYHPSKFXGCHWAP-UHFFFAOYSA-N -1 0 313.353 3.685 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)[C@H]1CCCc2sccc21)C(=O)[O-] ZINC001589760408 988084151 /nfs/dbraw/zinc/08/41/51/988084151.db2.gz RHBDRXITAADHJK-RYUDHWBXSA-N -1 0 310.415 3.601 20 0 DHADRM CCc1cccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474437827 1015359127 /nfs/dbraw/zinc/35/91/27/1015359127.db2.gz ZKTZBEQDRPXOSP-UHFFFAOYSA-N -1 0 307.752 3.928 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597511949 988094680 /nfs/dbraw/zinc/09/46/80/988094680.db2.gz LIUOFZVZICNQFX-ABAIWWIYSA-N -1 0 318.394 3.783 20 0 DHADRM CSCC[C@H](OC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001599797242 988117209 /nfs/dbraw/zinc/11/72/09/988117209.db2.gz AHWPYWHLSQRMKB-HNNXBMFYSA-N -1 0 320.410 3.617 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001589771701 988123001 /nfs/dbraw/zinc/12/30/01/988123001.db2.gz CVQKCJNHQAVNCW-ILXRZTDVSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)CCCCC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001589771783 988124236 /nfs/dbraw/zinc/12/42/36/988124236.db2.gz HFFKPMADLHMSOO-OAHLLOKOSA-N -1 0 317.429 3.883 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444764 1015364239 /nfs/dbraw/zinc/36/42/39/1015364239.db2.gz IVSSFXKZFXIGNH-NOZJJQNGSA-N -1 0 315.772 3.719 20 0 DHADRM CCc1ccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)s1 ZINC001597519861 988142492 /nfs/dbraw/zinc/14/24/92/988142492.db2.gz FCTPRPNFHKIWRS-WZUFQYTHSA-N -1 0 317.341 3.641 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001589784067 988160783 /nfs/dbraw/zinc/16/07/83/988160783.db2.gz JFMAJOZIGNCEQC-SWLSCSKDSA-N -1 0 315.413 3.736 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589784303 988163063 /nfs/dbraw/zinc/16/30/63/988163063.db2.gz MHBGLJRCCYXIHC-DTWKUNHWSA-N -1 0 311.328 3.674 20 0 DHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC001597530177 988181621 /nfs/dbraw/zinc/18/16/21/988181621.db2.gz LWANMJXZNIXLRN-OAHLLOKOSA-N -1 0 307.390 3.674 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597530538 988186804 /nfs/dbraw/zinc/18/68/04/988186804.db2.gz FYXDUGDROVPSKI-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CSCc1c2ccccc2oc1C(=O)O[C@H](C(=O)[O-])C(C)C ZINC001599801969 988192428 /nfs/dbraw/zinc/19/24/28/988192428.db2.gz NRHXWLBMPPMIHS-ZDUSSCGKSA-N -1 0 322.382 3.562 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c(C(=O)[O-])c1 ZINC001597542431 988229355 /nfs/dbraw/zinc/22/93/55/988229355.db2.gz BMLJHHDBJIWOGC-CYBMUJFWSA-N -1 0 301.386 3.856 20 0 DHADRM CCc1ccc(NC(=O)[C@H](C)c2ccc(C)o2)c(C(=O)[O-])c1 ZINC001597542973 988235553 /nfs/dbraw/zinc/23/55/53/988235553.db2.gz NJFIOFYPZVVXBY-LLVKDONJSA-N -1 0 301.342 3.591 20 0 DHADRM CCc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1C ZINC001597543256 988240412 /nfs/dbraw/zinc/24/04/12/988240412.db2.gz YQMZSBUVXLMXEU-XLIONFOSSA-N -1 0 323.392 3.754 20 0 DHADRM CSc1c(F)cc(NC(=O)c2ccccc2C(=O)[O-])cc1F ZINC001599806113 988258224 /nfs/dbraw/zinc/25/82/24/988258224.db2.gz LYZUSNWGMUPOAH-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CCc1ccc(NC(=O)c2ccc3cnccc3c2)c(C(=O)[O-])c1 ZINC001597550871 988270531 /nfs/dbraw/zinc/27/05/31/988270531.db2.gz OVZKCUVGPCXUGM-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1ccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC001597551398 988274778 /nfs/dbraw/zinc/27/47/78/988274778.db2.gz ZPRAZQXDYCDWGL-UHFFFAOYSA-N -1 0 307.733 3.754 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599807174 988275251 /nfs/dbraw/zinc/27/52/51/988275251.db2.gz KXJBBKIGKXZWMK-UHFFFAOYSA-N -1 0 318.398 3.612 20 0 DHADRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC001599807758 988283869 /nfs/dbraw/zinc/28/38/69/988283869.db2.gz VDEOEIBBYQFJJT-AWEZNQCLSA-N -1 0 320.341 3.530 20 0 DHADRM CCc1ccc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2OC)cc1 ZINC001597563243 988312828 /nfs/dbraw/zinc/31/28/28/988312828.db2.gz CPCUVRJCHJZNSI-ZDUSSCGKSA-N -1 0 313.397 3.807 20 0 DHADRM CCc1ccc2occ(C(=O)Nc3cccc(C(=O)[O-])c3N)c2c1 ZINC001597570526 988346095 /nfs/dbraw/zinc/34/60/95/988346095.db2.gz NDEGGUOYXHWEDU-UHFFFAOYSA-N -1 0 324.336 3.528 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001597575584 988360374 /nfs/dbraw/zinc/36/03/74/988360374.db2.gz AONJLMYASAYNBJ-SGMGOOAPSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1cccc(N(C)C(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001597592495 988420292 /nfs/dbraw/zinc/42/02/92/988420292.db2.gz GXRREZRYCCHOFE-UHFFFAOYSA-N -1 0 303.402 3.637 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599816176 988428254 /nfs/dbraw/zinc/42/82/54/988428254.db2.gz BZFNDYNJXHLKAY-LLVKDONJSA-N -1 0 322.430 3.761 20 0 DHADRM CSc1ccc(NC(=O)N2CCC23CCCC3)cc1C(=O)[O-] ZINC001599816311 988430705 /nfs/dbraw/zinc/43/07/05/988430705.db2.gz CLAAPMOKVNGYRM-UHFFFAOYSA-N -1 0 320.414 3.657 20 0 DHADRM CCc1cccc(N(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001597593836 988431214 /nfs/dbraw/zinc/43/12/14/988431214.db2.gz ZQVHMUVUAHWOEZ-UHFFFAOYSA-N -1 0 312.369 3.924 20 0 DHADRM CSc1ccc(NC(=O)NC2(C3CCC3)CC2)cc1C(=O)[O-] ZINC001599817848 988458528 /nfs/dbraw/zinc/45/85/28/988458528.db2.gz LUOITYBAUGPEPW-UHFFFAOYSA-N -1 0 320.414 3.561 20 0 DHADRM CCc1cccc2c1N(Cc1cc(C(=O)[O-])ccc1OC)CC2 ZINC001597603236 988462113 /nfs/dbraw/zinc/46/21/13/988462113.db2.gz ORHCLCWOQWMWHH-UHFFFAOYSA-N -1 0 311.381 3.519 20 0 DHADRM CSc1ccc(NC(=O)NC[C@H]2CC[C@H](C)C2)cc1C(=O)[O-] ZINC001599818520 988470064 /nfs/dbraw/zinc/47/00/64/988470064.db2.gz INXZIPGKKYVTRH-QWRGUYRKSA-N -1 0 322.430 3.664 20 0 DHADRM CSc1cccc(F)c1CNc1nc(C(=O)[O-])c(C)s1 ZINC001599821800 988526723 /nfs/dbraw/zinc/52/67/23/988526723.db2.gz JFHSCVAWKFFJGU-UHFFFAOYSA-N -1 0 312.391 3.623 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001597621472 988549615 /nfs/dbraw/zinc/54/96/15/988549615.db2.gz NMLULZFPOFJDCO-QWHCGFSZSA-N -1 0 315.394 3.751 20 0 DHADRM CSc1ccccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001599823522 988556481 /nfs/dbraw/zinc/55/64/81/988556481.db2.gz UWDANURKPLRCSU-VIFPVBQESA-N -1 0 306.339 3.618 20 0 DHADRM CSc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC001599824896 988581922 /nfs/dbraw/zinc/58/19/22/988581922.db2.gz WCXVHNYEBSEADP-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM C[C@@H](C(=O)Oc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC001599833929 988714143 /nfs/dbraw/zinc/71/41/43/988714143.db2.gz YHRAXBNCHPFBJV-SNVBAGLBSA-N -1 0 304.729 3.747 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)CCC3)CCCCCC1 ZINC000013251504 1015414593 /nfs/dbraw/zinc/41/45/93/1015414593.db2.gz UBZGGBKGZSKBOL-UHFFFAOYSA-N -1 0 315.413 3.929 20 0 DHADRM CCc1nc(NC(=O)CCCCCC(C)C)sc1C(=O)[O-] ZINC001597678344 988797312 /nfs/dbraw/zinc/79/73/12/988797312.db2.gz NJHQGUQJPQZDBD-UHFFFAOYSA-N -1 0 312.435 3.949 20 0 DHADRM CCc1nc2ccccc2c(S[C@H](CC(C)C)C(=O)[O-])n1 ZINC001597689505 988860305 /nfs/dbraw/zinc/86/03/05/988860305.db2.gz LMBLFSKQGDGPAS-CYBMUJFWSA-N -1 0 304.415 3.784 20 0 DHADRM CCc1noc(C)c1CNc1cccc(C(=O)[O-])c1OC(C)C ZINC001597745814 989113325 /nfs/dbraw/zinc/11/33/25/989113325.db2.gz IYGMVIIOCAXUQB-UHFFFAOYSA-N -1 0 318.373 3.643 20 0 DHADRM CCc1noc(C)c1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597746068 989114765 /nfs/dbraw/zinc/11/47/65/989114765.db2.gz MBDYLHBVEDAYMK-UHFFFAOYSA-N -1 0 323.736 3.541 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCCc2c(C)ccc(F)c21 ZINC001597766326 989212237 /nfs/dbraw/zinc/21/22/37/989212237.db2.gz MBJMPTGHXNPTQW-UHFFFAOYSA-N -1 0 317.360 3.941 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(C)c(OC)cc1C ZINC001597767162 989217722 /nfs/dbraw/zinc/21/77/22/989217722.db2.gz DGFNXEPLGXLXAS-UHFFFAOYSA-N -1 0 303.358 3.778 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1c2c(ccc1OC)CCC2 ZINC001597767406 989220089 /nfs/dbraw/zinc/22/00/89/989220089.db2.gz MALZGVCLLREHQF-UHFFFAOYSA-N -1 0 315.369 3.650 20 0 DHADRM CCc1oc(CNc2ccccc2Br)cc1C(=O)[O-] ZINC001597804464 989406559 /nfs/dbraw/zinc/40/65/59/989406559.db2.gz CBMALRYBXWTWOB-UHFFFAOYSA-N -1 0 324.174 3.915 20 0 DHADRM CCc1oc(CNc2ccc(Cl)cc2OC)cc1C(=O)[O-] ZINC001597804923 989409820 /nfs/dbraw/zinc/40/98/20/989409820.db2.gz OVMNECQTHIGDSU-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM CCc1sc(C(=O)[O-])cc1-c1cccc([S@@](C)(=N)=O)c1 ZINC001597821441 989464239 /nfs/dbraw/zinc/46/42/39/989464239.db2.gz YEILZPZUXLYTRA-FQEVSTJZSA-N -1 0 309.412 3.711 20 0 DHADRM CCn1c2ccccc2nc1S[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001597862021 989639990 /nfs/dbraw/zinc/63/99/90/989639990.db2.gz KKCOJEVIMGGAQA-VIFPVBQESA-N -1 0 317.370 3.596 20 0 DHADRM C[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])c1ccc(F)cc1F ZINC001141879455 1015496918 /nfs/dbraw/zinc/49/69/18/1015496918.db2.gz BQSMDNZVJLIGOJ-ZETCQYMHSA-N -1 0 313.250 3.691 20 0 DHADRM CC(C)(C)OCCCC(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001590381506 989893816 /nfs/dbraw/zinc/89/38/16/989893816.db2.gz BLUAKRYPMSZCJX-UHFFFAOYSA-N -1 0 313.781 3.572 20 0 DHADRM CC(C)(C)SCC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590429758 989987275 /nfs/dbraw/zinc/98/72/75/989987275.db2.gz VBOXGZKWCLDNFB-UHFFFAOYSA-N -1 0 316.806 3.613 20 0 DHADRM CC(C)(C)SCCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001590429890 989989232 /nfs/dbraw/zinc/98/92/32/989989232.db2.gz NLAOZPYXEJSKAB-ZDUSSCGKSA-N -1 0 307.459 3.987 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001590435610 989998879 /nfs/dbraw/zinc/99/88/79/989998879.db2.gz UJGUJDFLTOCGEV-GHMZBOCLSA-N -1 0 321.442 3.946 20 0 DHADRM CC(C)(C)c1c[nH]c(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001590451349 990012982 /nfs/dbraw/zinc/01/29/82/990012982.db2.gz JKNCKJPLUGWLLC-LBPRGKRZSA-N -1 0 322.405 3.634 20 0 DHADRM CC(C)(C)c1cc(CNc2cc(C(=O)[O-])c(F)cc2F)no1 ZINC001590463682 990038701 /nfs/dbraw/zinc/03/87/01/990038701.db2.gz PMKAEPXYQTYYCA-UHFFFAOYSA-N -1 0 310.300 3.561 20 0 DHADRM CC(C)(C)c1ccc(-c2nnc(-c3cccc(C(=O)[O-])n3)o2)cc1 ZINC001590471871 990041963 /nfs/dbraw/zinc/04/19/63/990041963.db2.gz ATXPLGBKFKULDN-UHFFFAOYSA-N -1 0 323.352 3.794 20 0 DHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)OCC2CC2)cc1 ZINC001590480786 990070397 /nfs/dbraw/zinc/07/03/97/990070397.db2.gz VGWSUOUPRAIDLT-HNNXBMFYSA-N -1 0 319.401 3.636 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001590484959 990081343 /nfs/dbraw/zinc/08/13/43/990081343.db2.gz LNIPFBWVEXOGSF-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001590506158 990122399 /nfs/dbraw/zinc/12/23/99/990122399.db2.gz SWOJUHVTALATAS-PKNBQFBNSA-N -1 0 313.353 3.927 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590506438 990123438 /nfs/dbraw/zinc/12/34/38/990123438.db2.gz XTQSZCPCXNUOOX-HJWRWDBZSA-N -1 0 313.353 3.927 20 0 DHADRM CN(C(=O)C1CC2(C1)CCCCC2)C1(C(=O)[O-])CCCCC1 ZINC001597998880 990130092 /nfs/dbraw/zinc/13/00/92/990130092.db2.gz WTFXQIPDNRUHRA-UHFFFAOYSA-N -1 0 307.434 3.593 20 0 DHADRM CN(C(=O)C1CCc2ccccc2CC1)c1ccccc1C(=O)[O-] ZINC001598004106 990147406 /nfs/dbraw/zinc/14/74/06/990147406.db2.gz WPDLZMFWFCWSHJ-UHFFFAOYSA-N -1 0 323.392 3.543 20 0 DHADRM CC(C)(C)n1cc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cn1 ZINC001590593337 990244152 /nfs/dbraw/zinc/24/41/52/990244152.db2.gz CQZSFDVYOOSASJ-KGLIPLIRSA-N -1 0 307.438 3.864 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(F)cc1C(=O)[O-])CC(F)F ZINC001590621851 990303894 /nfs/dbraw/zinc/30/38/94/990303894.db2.gz PURHRNHMQXDOPE-UHFFFAOYSA-N -1 0 303.280 3.534 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@H]1CCc2c1cccc2Cl ZINC001590637682 990328916 /nfs/dbraw/zinc/32/89/16/990328916.db2.gz RTCAYMALKNMVSY-ZDUSSCGKSA-N -1 0 310.777 3.762 20 0 DHADRM CC(C)(CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F)C1CC1 ZINC001590648779 990333971 /nfs/dbraw/zinc/33/39/71/990333971.db2.gz GNAXPXZIPQRZRF-UHFFFAOYSA-N -1 0 312.312 3.533 20 0 DHADRM CC(C)(CCNC(=O)c1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC001590679380 990390481 /nfs/dbraw/zinc/39/04/81/990390481.db2.gz YJEYCMUVXALFSX-UHFFFAOYSA-N -1 0 309.793 3.594 20 0 DHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001590734322 990528245 /nfs/dbraw/zinc/52/82/45/990528245.db2.gz LYUCQFHFNQUXCJ-UHFFFAOYSA-N -1 0 304.390 3.723 20 0 DHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001590734333 990528300 /nfs/dbraw/zinc/52/83/00/990528300.db2.gz MODGCGMKKWWJAG-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM CC(C)(CNC(=O)c1ccsc1CC(=O)[O-])C1CCCCC1 ZINC001590757717 990558111 /nfs/dbraw/zinc/55/81/11/990558111.db2.gz ZPRRGBQCOBWAJP-UHFFFAOYSA-N -1 0 323.458 3.712 20 0 DHADRM CC(C)(F)CCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001590834133 990690583 /nfs/dbraw/zinc/69/05/83/990690583.db2.gz VMLOSFFRRGVETN-UHFFFAOYSA-N -1 0 318.348 3.798 20 0 DHADRM CC(C)(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001590858750 990747866 /nfs/dbraw/zinc/74/78/66/990747866.db2.gz JFYSPRDJPAVXRB-UONOGXRCSA-N -1 0 323.820 3.582 20 0 DHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1 ZINC000013948452 1015586962 /nfs/dbraw/zinc/58/69/62/1015586962.db2.gz WSBGYKFTFHYGFD-UHFFFAOYSA-N -1 0 322.430 3.725 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001590921764 990913602 /nfs/dbraw/zinc/91/36/02/990913602.db2.gz KFZOIMTVFFAQOJ-GFCCVEGCSA-N -1 0 322.405 3.563 20 0 DHADRM COc1cccc(S[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001599683473 990949009 /nfs/dbraw/zinc/94/90/09/990949009.db2.gz OJCFLPUCYZBAKE-HNNXBMFYSA-N -1 0 304.367 3.622 20 0 DHADRM CC(C)C(=O)Nc1cccc(NCc2ccsc2C(=O)[O-])c1 ZINC001590948621 990996659 /nfs/dbraw/zinc/99/66/59/990996659.db2.gz JVPRKEARVDPUPS-UHFFFAOYSA-N -1 0 318.398 3.653 20 0 DHADRM COc1cccc2c1CN(Cc1cc(C(=O)[O-])ccc1Cl)C2 ZINC001599692933 991099763 /nfs/dbraw/zinc/09/97/63/991099763.db2.gz RQBPHENGSHNOOW-UHFFFAOYSA-N -1 0 317.772 3.563 20 0 DHADRM O=C(c1c([O-])cc(F)cc1F)N(Cc1ccccc1F)C1CC1 ZINC000127347993 1015610892 /nfs/dbraw/zinc/61/08/92/1015610892.db2.gz QREVASNSRJQEEO-UHFFFAOYSA-N -1 0 321.298 3.614 20 0 DHADRM COc1ccccc1[C@H](C)S[C@H](C)c1nc(C(=O)[O-])co1 ZINC001599697807 991174157 /nfs/dbraw/zinc/17/41/57/991174157.db2.gz IPBMTCQDDWGYPS-VHSXEESVSA-N -1 0 307.371 3.937 20 0 DHADRM COc1ccccc1[C@@H](C)SCc1cncc(C(=O)[O-])c1 ZINC001599697813 991174285 /nfs/dbraw/zinc/17/42/85/991174285.db2.gz IRKIEXFYAPJQPX-LLVKDONJSA-N -1 0 303.383 3.783 20 0 DHADRM COc1ccccc1NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC001599713898 991418822 /nfs/dbraw/zinc/41/88/22/991418822.db2.gz CXMHPFYWXFENJO-UHFFFAOYSA-N -1 0 316.382 3.511 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591057753 991468654 /nfs/dbraw/zinc/46/86/54/991468654.db2.gz ISDBFIWIGMZGEE-AYVTZFPOSA-N -1 0 313.756 3.798 20 0 DHADRM COc1ccccc1Oc1ccc(N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001599717458 991480752 /nfs/dbraw/zinc/48/07/52/991480752.db2.gz HSFRLIVWBHSPIZ-QGZVFWFLSA-N -1 0 313.353 3.763 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591061293 991498214 /nfs/dbraw/zinc/49/82/14/991498214.db2.gz GBSKLRZTVHBDDZ-BXWFABGCSA-N -1 0 316.397 3.988 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591061370 991501109 /nfs/dbraw/zinc/50/11/09/991501109.db2.gz HZVHXFHKCSUQCF-RHSMWYFYSA-N -1 0 321.442 3.625 20 0 DHADRM CC(C)C1(C)CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC001591061571 991502295 /nfs/dbraw/zinc/50/22/95/991502295.db2.gz KXBWBODDIMFABV-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001591079582 991574692 /nfs/dbraw/zinc/57/46/92/991574692.db2.gz ISNOWPFYRWQDPE-GHMZBOCLSA-N -1 0 303.383 3.830 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591081868 991594454 /nfs/dbraw/zinc/59/44/54/991594454.db2.gz MDRJBCIKMXEIBO-HUUCEWRRSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)[C@H]1CCCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591088991 991628011 /nfs/dbraw/zinc/62/80/11/991628011.db2.gz OGDRZOIMOGBKTA-GFCCVEGCSA-N -1 0 316.323 3.814 20 0 DHADRM CC(C)[C@H]1CN(C(=O)c2ccccc2C(=O)[O-])c2ccccc21 ZINC001591093107 991653212 /nfs/dbraw/zinc/65/32/12/991653212.db2.gz KGMXBSIDTMDBEB-MRXNPFEDSA-N -1 0 309.365 3.785 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2c[nH]c(C(=O)[O-])c2)CC12CCCCCC2 ZINC001591099366 991710387 /nfs/dbraw/zinc/71/03/87/991710387.db2.gz LBYBSIAOBYNGJV-OAHLLOKOSA-N -1 0 318.417 3.534 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591100200 991721276 /nfs/dbraw/zinc/72/12/76/991721276.db2.gz VDJXWZZYAQHYGZ-ZDUSSCGKSA-N -1 0 320.414 3.655 20 0 DHADRM COc1nccc2c(NCc3ccc(/C=C/C(=O)[O-])o3)cccc12 ZINC001599736823 991787194 /nfs/dbraw/zinc/78/71/94/991787194.db2.gz OFSYEDAQCNYOPO-BQYQJAHWSA-N -1 0 324.336 3.546 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001591130067 991820900 /nfs/dbraw/zinc/82/09/00/991820900.db2.gz FDWHVTBAOIOVOC-BXUZGUMPSA-N -1 0 311.809 3.654 20 0 DHADRM CC(C)C[C@H](C)C[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001591134626 991839870 /nfs/dbraw/zinc/83/98/70/991839870.db2.gz XRLZEDPEGWTLKG-KBPBESRZSA-N -1 0 317.433 3.994 20 0 DHADRM CC(C)CC(CC(C)C)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591142488 991865536 /nfs/dbraw/zinc/86/55/36/991865536.db2.gz DPGDKWKAOVYRPT-AATRIKPKSA-N -1 0 307.390 3.568 20 0 DHADRM CC(C)C[C@@H](CNC(=O)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001591147064 991886071 /nfs/dbraw/zinc/88/60/71/991886071.db2.gz YXCVKCZRPZXSCQ-ZDUSSCGKSA-N -1 0 311.466 3.702 20 0 DHADRM CC(C)C[C@@H](CNC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001591153554 991896921 /nfs/dbraw/zinc/89/69/21/991896921.db2.gz BNQZCEZJQSBWCH-NSHDSACASA-N -1 0 311.447 3.522 20 0 DHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001591192058 992006361 /nfs/dbraw/zinc/00/63/61/992006361.db2.gz LBFPKNJCSYJRPU-LJQANCHMSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)CC1(CNC(=O)c2ccccc2CCC(=O)[O-])CCC1 ZINC001591196693 992012742 /nfs/dbraw/zinc/01/27/42/992012742.db2.gz JOXLZTHHBYAGSZ-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2cccc(C(=O)[O-])c2)CCC1 ZINC001591197251 992016887 /nfs/dbraw/zinc/01/68/87/992016887.db2.gz XBGVSGSLWSIOEF-UHFFFAOYSA-N -1 0 304.390 3.723 20 0 DHADRM CC(C)CC[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001591221637 992088265 /nfs/dbraw/zinc/08/82/65/992088265.db2.gz LOFVLKWROLAAJQ-INIZCTEOSA-N -1 0 319.445 3.894 20 0 DHADRM CC(C)CC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001591221638 992088333 /nfs/dbraw/zinc/08/83/33/992088333.db2.gz LOFVLKWROLAAJQ-MRXNPFEDSA-N -1 0 319.445 3.894 20 0 DHADRM CC(C)CCC1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001591229291 992111032 /nfs/dbraw/zinc/11/10/32/992111032.db2.gz WSZIZMBRQPYGCW-WAYWQWQTSA-N -1 0 319.401 3.666 20 0 DHADRM CC(C)CCCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001591229579 992113407 /nfs/dbraw/zinc/11/34/07/992113407.db2.gz UOJQCOMCTFGLJP-OAHLLOKOSA-N -1 0 305.418 3.705 20 0 DHADRM CC(C)CCCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001591236699 992118619 /nfs/dbraw/zinc/11/86/19/992118619.db2.gz MADOYELNSPFMDH-UHFFFAOYSA-N -1 0 317.389 3.806 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001591266291 992178579 /nfs/dbraw/zinc/17/85/79/992178579.db2.gz AJCMDQAUYYQADO-UHFFFAOYSA-N -1 0 315.822 3.756 20 0 DHADRM CC(C)CCc1noc(CSc2ccc(C(=O)[O-])cc2)n1 ZINC001591274334 992193333 /nfs/dbraw/zinc/19/33/33/992193333.db2.gz HPTCJICMHHSRBG-UHFFFAOYSA-N -1 0 306.387 3.649 20 0 DHADRM CC(C)CN(C(=O)CCC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC001591281477 992215370 /nfs/dbraw/zinc/21/53/70/992215370.db2.gz PDYVWWWEYVJOIS-LBPRGKRZSA-N -1 0 311.809 3.750 20 0 DHADRM CC(C)CN(CC(C)C)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591320428 992283893 /nfs/dbraw/zinc/28/38/93/992283893.db2.gz DNGAZYVWGXZOJQ-UHFFFAOYSA-N -1 0 318.339 3.917 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(C(C)(C)C)c1 ZINC001591332092 992310169 /nfs/dbraw/zinc/31/01/69/992310169.db2.gz BYBRZLNKGBFRIJ-UHFFFAOYSA-N -1 0 305.418 3.557 20 0 DHADRM CS[C@@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccccc1 ZINC001599780650 992359437 /nfs/dbraw/zinc/35/94/37/992359437.db2.gz JUSNSWWCNFGNRQ-CYBMUJFWSA-N -1 0 322.407 3.594 20 0 DHADRM CC(C)COC(=O)Nc1cccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001591384901 992436369 /nfs/dbraw/zinc/43/63/69/992436369.db2.gz XWPMHHIKSIZJHN-DOMZBBRYSA-N -1 0 320.389 3.556 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001591441734 992537901 /nfs/dbraw/zinc/53/79/01/992537901.db2.gz LWQNEZHDENKHLS-YUELXQCFSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001591483550 992604396 /nfs/dbraw/zinc/60/43/96/992604396.db2.gz JZVWKQFMJHOQEG-UHFFFAOYSA-N -1 0 303.383 3.897 20 0 DHADRM CC(C)Cc1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591484212 992609345 /nfs/dbraw/zinc/60/93/45/992609345.db2.gz VXRYJDPLMRREHX-UHFFFAOYSA-N -1 0 315.373 3.566 20 0 DHADRM CC(C)N(C(=O)CCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591539259 992720129 /nfs/dbraw/zinc/72/01/29/992720129.db2.gz YLWLIRZFPPXSNO-UHFFFAOYSA-N -1 0 318.200 3.990 20 0 DHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCCCc1ccc(F)cc1 ZINC001591575959 992788377 /nfs/dbraw/zinc/78/83/77/992788377.db2.gz VBFPKCIDCWJBEC-UHFFFAOYSA-N -1 0 323.408 3.640 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000684558110 1015737462 /nfs/dbraw/zinc/73/74/62/1015737462.db2.gz AFMKTZHLKVOIIG-HZPDHXFCSA-N -1 0 315.413 3.725 20 0 DHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1cccc2ccccc21 ZINC001598536217 992841655 /nfs/dbraw/zinc/84/16/55/992841655.db2.gz AFNZBRJIQGRSEM-UHFFFAOYSA-N -1 0 312.394 3.627 20 0 DHADRM CC(C)N(Cc1nc(C(=O)[O-])cs1)[C@@H](C)c1ccsc1 ZINC001591604347 992842949 /nfs/dbraw/zinc/84/29/49/992842949.db2.gz PVALTUPGJKFEAE-JTQLQIEISA-N -1 0 310.444 3.874 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000192460341 1015767350 /nfs/dbraw/zinc/76/73/50/1015767350.db2.gz JIISPTLSKNOOHB-UDZFHETQSA-N -1 0 311.784 3.835 20 0 DHADRM COc1ccc(N(C#N)Cc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001599583423 993581257 /nfs/dbraw/zinc/58/12/57/993581257.db2.gz UUSATAKTQDVZNL-UHFFFAOYSA-N -1 0 316.744 3.534 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000737668878 1015795032 /nfs/dbraw/zinc/79/50/32/1015795032.db2.gz SRTKFBYSKAWPGM-ZWXCPPHNSA-N -1 0 301.386 3.939 20 0 DHADRM CCC[C@@H](CNC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000262343252 1015796606 /nfs/dbraw/zinc/79/66/06/1015796606.db2.gz UMQVTJIJNJXHGI-JTQLQIEISA-N -1 0 323.389 3.580 20 0 DHADRM COc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1SC ZINC001599597209 993764315 /nfs/dbraw/zinc/76/43/15/993764315.db2.gz LRMZFBGZYYRKQR-VURMDHGXSA-N -1 0 319.382 3.720 20 0 DHADRM COc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1Cl ZINC001599599647 993797137 /nfs/dbraw/zinc/79/71/37/993797137.db2.gz WRXWIOKTRNRLDC-SECBINFHSA-N -1 0 306.749 3.615 20 0 DHADRM CN1CCN(Cc2ccsc2C(=O)[O-])c2ccc(Cl)cc21 ZINC001598621732 994016286 /nfs/dbraw/zinc/01/62/86/994016286.db2.gz UAXMDEPPGLDALJ-UHFFFAOYSA-N -1 0 322.817 3.556 20 0 DHADRM COc1ccc([C@H](C)OC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001599621712 994092951 /nfs/dbraw/zinc/09/29/51/994092951.db2.gz SFHZRIFQEKWQPZ-ZDUSSCGKSA-N -1 0 320.385 3.725 20 0 DHADRM C[C@H](N[C@H](C(=O)[O-])C1CC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC001593190053 994117497 /nfs/dbraw/zinc/11/74/97/994117497.db2.gz KTVHMKWSWHUWNZ-XPTSAGLGSA-N -1 0 320.776 3.509 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC001593190054 994117785 /nfs/dbraw/zinc/11/77/85/994117785.db2.gz KTVHMKWSWHUWNZ-YMTOWFKASA-N -1 0 320.776 3.509 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c(C)o1 ZINC000281138756 1015840457 /nfs/dbraw/zinc/84/04/57/1015840457.db2.gz AKRYWDLFBRGYSV-UHFFFAOYSA-N -1 0 322.430 3.908 20 0 DHADRM C[C@@H](N[C@@]1(c2ccccc2)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593210441 994248233 /nfs/dbraw/zinc/24/82/33/994248233.db2.gz PNWUCBHYIXXPMI-PIGZYNQJSA-N -1 0 316.426 3.817 20 0 DHADRM COc1ccc2[nH]c(S[C@@H](C(=O)[O-])c3ccsc3)nc2c1 ZINC001599635135 994276214 /nfs/dbraw/zinc/27/62/14/994276214.db2.gz PQCSWESAZZYRRV-GFCCVEGCSA-N -1 0 320.395 3.551 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001599644704 994409001 /nfs/dbraw/zinc/40/90/01/994409001.db2.gz UHRNTDXXZWXFJI-MNOVXSKESA-N -1 0 308.374 3.617 20 0 DHADRM COc1cccc(C(=O)[O-])c1CSC[C@@H]1CC1(Cl)Cl ZINC001599645699 994422143 /nfs/dbraw/zinc/42/21/43/994422143.db2.gz YGFXJDLSVRNTQF-QMMMGPOBSA-N -1 0 321.225 3.820 20 0 DHADRM CNc1cc(Cl)ccc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001598678667 994890147 /nfs/dbraw/zinc/89/01/47/994890147.db2.gz XWCBSNXXQFDQMP-UHFFFAOYSA-N -1 0 318.760 3.641 20 0 DHADRM COc1cccc(F)c1[C@@H](C)NCc1cc(C(=O)[O-])sc1C ZINC001599676740 994910582 /nfs/dbraw/zinc/91/05/82/994910582.db2.gz LJVSZHFEXFNSGI-SECBINFHSA-N -1 0 323.389 3.753 20 0 DHADRM CNc1ccc(C)cc1CNc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598679957 994911070 /nfs/dbraw/zinc/91/10/70/994911070.db2.gz QPCSMCISRQZNSN-UHFFFAOYSA-N -1 0 309.369 3.828 20 0 DHADRM COc1cccc(Oc2ccc(N[C@@H](C(=O)[O-])C3CC3)cc2)c1 ZINC001599681145 994983316 /nfs/dbraw/zinc/98/33/16/994983316.db2.gz 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CCC(C)(C)N(C)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1C ZINC000684895148 1016848877 /nfs/dbraw/zinc/84/88/77/1016848877.db2.gz OQKJAMLTZORZDQ-OAHLLOKOSA-N -1 0 320.433 3.649 20 0 DHADRM COC(=O)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(F)c1F ZINC001211548870 1016927266 /nfs/dbraw/zinc/92/72/66/1016927266.db2.gz AQQIPHSPOOYXHU-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM Cc1cc(Nc2ccc(-c3cc(CO)on3)cc2)cc(C(=O)[O-])c1 ZINC001211550155 1017000134 /nfs/dbraw/zinc/00/01/34/1017000134.db2.gz VORPGOWTEHFDEN-UHFFFAOYSA-N -1 0 324.336 3.584 20 0 DHADRM CC(C)(C)[C@H](NC(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000073133727 1017246472 /nfs/dbraw/zinc/24/64/72/1017246472.db2.gz FQTMXAYXRYIVCA-JTQLQIEISA-N -1 0 309.278 3.872 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001146815512 1032248512 /nfs/dbraw/zinc/24/85/12/1032248512.db2.gz ZXFNFXIIEPFHEZ-GBIKHYSHSA-N -1 0 315.335 3.966 20 0 DHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(F)c1[O-] ZINC001147072895 1032273205 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1032440987 /nfs/dbraw/zinc/44/09/87/1032440987.db2.gz QSQOJVIJTAWLAJ-UHFFFAOYSA-N -1 0 313.300 3.654 20 0 DHADRM CCc1ncsc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805460 1032446399 /nfs/dbraw/zinc/44/63/99/1032446399.db2.gz NDNJBNTZHJHNES-UHFFFAOYSA-N -1 0 317.197 3.970 20 0 DHADRM CC(C)O[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000794412319 1032555344 /nfs/dbraw/zinc/55/53/44/1032555344.db2.gz AWOLTRCYYLDGPB-KRWDZBQOSA-N -1 0 317.360 3.540 20 0 DHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000122662986 1032567457 /nfs/dbraw/zinc/56/74/57/1032567457.db2.gz BOHRCGZKSRJJBW-UHFFFAOYSA-N -1 0 324.833 3.734 20 0 DHADRM O=C([O-])/C=C\c1cnc(/C=C\c2ccn(-c3ccccc3)n2)s1 ZINC000773153890 1032580764 /nfs/dbraw/zinc/58/07/64/1032580764.db2.gz PTFIQJNTEFUFAS-VRHVFUOLSA-N -1 0 323.377 3.597 20 0 DHADRM O=C(CC(F)(F)C(F)(F)F)Nc1cc(F)cc(Cl)c1[O-] ZINC001625779462 1011997982 /nfs/dbraw/zinc/99/79/82/1011997982.db2.gz LUTTYJKEWDEIRA-UHFFFAOYSA-N -1 0 321.604 3.711 20 0 DHADRM Cn1ccc2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc21 ZINC001625779518 1011998004 /nfs/dbraw/zinc/99/80/04/1011998004.db2.gz NJPUIQSTCSDNHG-UHFFFAOYSA-N -1 0 318.735 3.929 20 0 DHADRM O=C([O-])c1cc(F)c(Nc2cncc3ccccc32)c(F)c1 ZINC000396521148 1012026720 /nfs/dbraw/zinc/02/67/20/1012026720.db2.gz MRQCYEITIIFQEQ-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM COc1cccc(C(F)(F)F)c1Nc1cc(=O)[n-]c(Cl)n1 ZINC001213341483 1012222755 /nfs/dbraw/zinc/22/27/55/1012222755.db2.gz XQXNUZRGFHIXDP-UHFFFAOYSA-N -1 0 319.670 3.607 20 0 DHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2O)C1 ZINC000425118230 1012297541 /nfs/dbraw/zinc/29/75/41/1012297541.db2.gz LLCGDBMBZFCEKY-INIZCTEOSA-N -1 0 311.381 3.711 20 0 DHADRM C[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000425242263 1012375352 /nfs/dbraw/zinc/37/53/52/1012375352.db2.gz OLQUURADKJNMBI-CQDKDKBSSA-N -1 0 323.820 3.798 20 0 DHADRM Cc1cccc(Nc2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2C)c1 ZINC000887322213 1032632866 /nfs/dbraw/zinc/63/28/66/1032632866.db2.gz JJWMGMADVRSGDN-CABCVRRESA-N -1 0 324.380 3.706 20 0 DHADRM C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC[C@@H]1C ZINC000514949342 1012516968 /nfs/dbraw/zinc/51/69/68/1012516968.db2.gz IYSBMPMWAKFJPQ-UWVGGRQHSA-N -1 0 301.308 3.529 20 0 DHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000515653750 1012689060 /nfs/dbraw/zinc/68/90/60/1012689060.db2.gz LMIBWOIWKRYLQP-UHFFFAOYSA-N -1 0 319.426 3.975 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H]1CC1CCCC1 ZINC000655363993 1012703476 /nfs/dbraw/zinc/70/34/76/1012703476.db2.gz XJXLCBDIQYJLCC-SNVBAGLBSA-N -1 0 314.838 3.687 20 0 DHADRM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2cccc(C)c2C)cc1 ZINC000563437014 1017161457 /nfs/dbraw/zinc/16/14/57/1017161457.db2.gz CZQQPDSUUYVXND-SFHVURJKSA-N -1 0 311.381 3.622 20 0 DHADRM Oc1c(F)cc(Nc2cccnc2Br)cc1F ZINC001213370475 1017195640 /nfs/dbraw/zinc/19/56/40/1017195640.db2.gz HCNGPZBVUPPLKA-UHFFFAOYSA-N -1 0 301.090 3.572 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(F)c(F)c(F)c1F ZINC000179723009 1017289755 /nfs/dbraw/zinc/28/97/55/1017289755.db2.gz FFAZCZPUCXONOA-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000179947352 1017330716 /nfs/dbraw/zinc/33/07/16/1017330716.db2.gz SPXSCUMRYXXGIL-UHFFFAOYSA-N -1 0 323.801 3.652 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1Cl ZINC000179956610 1017334551 /nfs/dbraw/zinc/33/45/51/1017334551.db2.gz DVMXTALEUDYUFK-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1F ZINC000180016271 1017346822 /nfs/dbraw/zinc/34/68/22/1017346822.db2.gz PNPHOOJLSIYGAD-UHFFFAOYSA-N -1 0 305.783 3.650 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000077011757 1017445903 /nfs/dbraw/zinc/44/59/03/1017445903.db2.gz PPOZTYINQYLNQA-NEPJUHHUSA-N -1 0 305.736 3.927 20 0 DHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012420 1017449421 /nfs/dbraw/zinc/44/94/21/1017449421.db2.gz GFYLVRKVFOMPLC-SECBINFHSA-N -1 0 309.724 3.591 20 0 DHADRM CC(C)c1nsc(NC(=O)c2scnc2C(C)(C)C)n1 ZINC000874695920 1032708823 /nfs/dbraw/zinc/70/88/23/1032708823.db2.gz UVMZFSVLZHNWPS-UHFFFAOYSA-N -1 0 310.448 3.668 20 0 DHADRM O=S(=O)([N-]c1cnoc1)c1ccc(C2CCCCC2)cc1 ZINC000623946421 1017598904 /nfs/dbraw/zinc/59/89/04/1017598904.db2.gz CKHBXJWCKZLFFD-UHFFFAOYSA-N -1 0 306.387 3.523 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000523457184 1017707837 /nfs/dbraw/zinc/70/78/37/1017707837.db2.gz HLCSJGBUPXYYNG-VXGBXAGGSA-N -1 0 324.494 3.690 20 0 DHADRM Cc1nc(Br)ccc1Nc1cccc(C(=O)[O-])c1C ZINC001216657253 1017875277 /nfs/dbraw/zinc/87/52/77/1017875277.db2.gz VEQAHKSFEPBTFK-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1cccc([C@H](Nc2nnc(C(C)C)o2)c2ccccn2)c1 ZINC000583005481 1017943667 /nfs/dbraw/zinc/94/36/67/1017943667.db2.gz IFJLTHUYBFJFTI-INIZCTEOSA-N -1 0 308.385 4.098 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(C)o1 ZINC000182829155 1017959952 /nfs/dbraw/zinc/95/99/52/1017959952.db2.gz QCMUAPKZGDXXDI-UHFFFAOYSA-N -1 0 316.382 3.554 20 0 DHADRM Cc1ccc(OCC(=O)Nc2cccc(Cl)c2[O-])c(C)c1 ZINC000172110508 1018012757 /nfs/dbraw/zinc/01/27/57/1018012757.db2.gz WBQNTKJEUOIFND-UHFFFAOYSA-N -1 0 305.761 3.680 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000634838460 1018049455 /nfs/dbraw/zinc/04/94/55/1018049455.db2.gz IWVOWBGPJBPCLX-SGTLLEGYSA-N -1 0 303.402 3.632 20 0 DHADRM CC(C)(C)CC(C)(C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000634852329 1018100170 /nfs/dbraw/zinc/10/01/70/1018100170.db2.gz WHIPDGDIHDCPFW-CQSZACIVSA-N -1 0 305.418 3.576 20 0 DHADRM C[C@H]1CCN(C(=O)CC2(CC(=O)[O-])CCC2)[C@H](c2ccco2)C1 ZINC000634891834 1018246114 /nfs/dbraw/zinc/24/61/14/1018246114.db2.gz DUVHHUPAHQLEKZ-KBPBESRZSA-N -1 0 319.401 3.614 20 0 DHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000446943863 1018298215 /nfs/dbraw/zinc/29/82/15/1018298215.db2.gz ZMMNGEIDIJRBPH-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000447069980 1018328780 /nfs/dbraw/zinc/32/87/80/1018328780.db2.gz UZLBLIJARDQIAA-LBPRGKRZSA-N -1 0 319.351 3.682 20 0 DHADRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1OC(C)C ZINC000447131704 1018338877 /nfs/dbraw/zinc/33/88/77/1018338877.db2.gz CCUFQBGXTAKAQF-UHFFFAOYSA-N -1 0 307.390 3.612 20 0 DHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)o1 ZINC000080365627 1018458030 /nfs/dbraw/zinc/45/80/30/1018458030.db2.gz CLIBPIALHMFNGE-SKDRFNHKSA-N -1 0 305.761 3.692 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000675546823 1018520528 /nfs/dbraw/zinc/52/05/28/1018520528.db2.gz URLKTZSQXNOFCQ-ZDUSSCGKSA-N -1 0 317.772 3.845 20 0 DHADRM O=C(N[C@H]1CCC(F)(F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000675708642 1018561737 /nfs/dbraw/zinc/56/17/37/1018561737.db2.gz DHEBGILIRRSQFZ-ZETCQYMHSA-N -1 0 310.127 3.617 20 0 DHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000088330304 1018581146 /nfs/dbraw/zinc/58/11/46/1018581146.db2.gz GIBALEDHMPIORH-UHFFFAOYSA-N -1 0 310.806 3.659 20 0 DHADRM O=Cc1cc(-c2cccc3ccccc32)ccc1OCC(=O)[O-] ZINC000874969120 1032774615 /nfs/dbraw/zinc/77/46/15/1032774615.db2.gz FBINOTXQUDPCRT-UHFFFAOYSA-N -1 0 306.317 3.783 20 0 DHADRM O=Cc1ccc(-c2ccc3cc(OCC(=O)[O-])ccc3c2)s1 ZINC000874971668 1032775060 /nfs/dbraw/zinc/77/50/60/1032775060.db2.gz RJIWUSNSMVZPOC-UHFFFAOYSA-N -1 0 312.346 3.844 20 0 DHADRM C[C@H](CC(=O)c1cccc(-c2ccc(C=O)c(F)c2)c1)C(=O)[O-] ZINC000874973771 1032775900 /nfs/dbraw/zinc/77/59/00/1032775900.db2.gz XJBZUCWJGJCFLI-LLVKDONJSA-N -1 0 314.312 3.599 20 0 DHADRM COCc1cc(-c2ccc(CSCC(=O)[O-])cc2)cs1 ZINC000600966238 1018628288 /nfs/dbraw/zinc/62/82/88/1018628288.db2.gz KXHLQOVMNCYLSI-UHFFFAOYSA-N -1 0 308.424 3.879 20 0 DHADRM O=Cc1ccc(-c2ccc(C(=O)CCCC(=O)[O-])cc2)s1 ZINC000874970895 1032773161 /nfs/dbraw/zinc/77/31/61/1032773161.db2.gz GLNVCQFIDJPKFK-UHFFFAOYSA-N -1 0 302.351 3.665 20 0 DHADRM Cc1ccc(Nc2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC001211594137 1018635090 /nfs/dbraw/zinc/63/50/90/1018635090.db2.gz NIFFFCYKCAFJSN-UHFFFAOYSA-N -1 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304.415 3.815 20 0 DHADRM O=C([O-])c1ccc(-c2cc(C(=O)Nc3ccccc3)ccn2)s1 ZINC001240842707 1020818090 /nfs/dbraw/zinc/81/80/90/1020818090.db2.gz LGASMEATEBZEMU-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM CC(C)(CC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000414085089 1020866410 /nfs/dbraw/zinc/86/64/10/1020866410.db2.gz GHAMNBFRGHVVQH-CVEARBPZSA-N -1 0 317.429 3.578 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000738556973 1020877950 /nfs/dbraw/zinc/87/79/50/1020877950.db2.gz DVMZIFXWQHXQRK-JQPKSGMCSA-N -1 0 321.376 3.843 20 0 DHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000170932926 1021072287 /nfs/dbraw/zinc/07/22/87/1021072287.db2.gz PBFCKTAOLQCYDC-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM C[C@]1(F)CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C[C@H]1F ZINC001140834861 1021120846 /nfs/dbraw/zinc/12/08/46/1021120846.db2.gz GATCMBAMVQAKKO-YPMHNXCESA-N -1 0 310.171 3.971 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@H]2CCC[C@H](C)CC2)c1C(=O)[O-] ZINC000319936683 1021140648 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O=C([O-])c1ccc(F)c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000659137489 1021200137 /nfs/dbraw/zinc/20/01/37/1021200137.db2.gz KHVAQWAMRMZLGN-VXGBXAGGSA-N -1 0 305.349 3.679 20 0 DHADRM CCC[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142093 1021201225 /nfs/dbraw/zinc/20/12/25/1021201225.db2.gz RKOQANLMCBMWDI-FZMZJTMJSA-N -1 0 311.809 3.593 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000659145173 1021206233 /nfs/dbraw/zinc/20/62/33/1021206233.db2.gz NEOTWFYRKRIQMS-QLFBSQMISA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000659145164 1021206555 /nfs/dbraw/zinc/20/65/55/1021206555.db2.gz NEGNZGUYEZWEJD-RBSFLKMASA-N -1 0 321.461 3.552 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000659160593 1021220793 /nfs/dbraw/zinc/22/07/93/1021220793.db2.gz LJNYILAEKZQQCZ-VIFPVBQESA-N -1 0 317.307 3.792 20 0 DHADRM C[C@H]1c2ccccc2CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000177192913 1021222555 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CC(C)Sc1ccccc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659233854 1021278984 /nfs/dbraw/zinc/27/89/84/1021278984.db2.gz FXDNXTJQLCOINO-YOEHRIQHSA-N -1 0 321.442 3.560 20 0 DHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000107176146 1021303343 /nfs/dbraw/zinc/30/33/43/1021303343.db2.gz WSGXWMJVIATBOD-UHFFFAOYSA-N -1 0 324.833 3.833 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185713 1021330034 /nfs/dbraw/zinc/33/00/34/1021330034.db2.gz WSMZUDUTALXYGM-GFCCVEGCSA-N -1 0 309.356 3.713 20 0 DHADRM Cc1ccc(C)c(S([O-])=CC(=O)NC2CCCCCCC2)c1 ZINC000107965374 1021354959 /nfs/dbraw/zinc/35/49/59/1021354959.db2.gz CYGWKTXLFUNIHS-QFIPXVFZSA-N -1 0 321.486 3.640 20 0 DHADRM Cc1ccc(OCCC(=O)Nc2cccc(O)c2F)c(C)c1 ZINC000129485203 1021493661 /nfs/dbraw/zinc/49/36/61/1021493661.db2.gz LDCZGZIUQJITCG-UHFFFAOYSA-N -1 0 303.333 3.556 20 0 DHADRM Cc1cc(Nc2cc(-c3cccnc3)ccn2)ccc1C(=O)[O-] ZINC001211647783 1021510069 /nfs/dbraw/zinc/51/00/69/1021510069.db2.gz IOYLHFBVFRWJDF-UHFFFAOYSA-N -1 0 305.337 3.894 20 0 DHADRM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000129705110 1021552987 /nfs/dbraw/zinc/55/29/87/1021552987.db2.gz FRWMQKDUPSRVPF-LBPRGKRZSA-N -1 0 308.765 3.532 20 0 DHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000659123608 1021577620 /nfs/dbraw/zinc/57/76/20/1021577620.db2.gz URHPZRDWYOANKK-XJKSGUPXSA-N -1 0 319.401 3.617 20 0 DHADRM Cc1cccc(C(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001153090164 1021603701 /nfs/dbraw/zinc/60/37/01/1021603701.db2.gz NSGUMDNJWXYKJH-UHFFFAOYSA-N -1 0 324.163 3.829 20 0 DHADRM CC(C)COC[C@@H](NCc1ccc(O)c(F)c1)c1ccco1 ZINC000892782612 1021614571 /nfs/dbraw/zinc/61/45/71/1021614571.db2.gz RQARWDFSXYUJGK-OAHLLOKOSA-N -1 0 307.365 3.628 20 0 DHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)C(F)(F)F ZINC001252359837 1021683748 /nfs/dbraw/zinc/68/37/48/1021683748.db2.gz NQICQEHKSDJHAK-UHFFFAOYSA-N -1 0 319.279 3.754 20 0 DHADRM Cc1cccc(NC(=O)N(CC(=O)[O-])C2CCCC2)c1Cl ZINC000314060585 1021700133 /nfs/dbraw/zinc/70/01/33/1021700133.db2.gz VIALNBCXTSWIEE-UHFFFAOYSA-N -1 0 310.781 3.510 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000152843984 1021845766 /nfs/dbraw/zinc/84/57/66/1021845766.db2.gz USMWBMOYXJPNRT-WFASDCNBSA-N -1 0 308.397 3.642 20 0 DHADRM Cc1cccc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746117404 1021857556 /nfs/dbraw/zinc/85/75/56/1021857556.db2.gz BSKWDDVQVUQUHM-UHFFFAOYSA-N -1 0 312.394 3.697 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746119953 1021858379 /nfs/dbraw/zinc/85/83/79/1021858379.db2.gz JAGWDPNSYLFRBS-NSHDSACASA-N -1 0 312.394 3.916 20 0 DHADRM Cc1cccc2c1CCN2C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184338169 1021922813 /nfs/dbraw/zinc/92/28/13/1021922813.db2.gz WHQBUIPRCFBYOR-UHFFFAOYSA-N -1 0 305.736 3.696 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000851624853 1021952189 /nfs/dbraw/zinc/95/21/89/1021952189.db2.gz INGHGKDNZIVYLT-JGYUQMGLSA-N -1 0 321.804 3.503 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C[C@H]2CCC[C@H](C)C2)sc1C(=O)[O-] ZINC000262566161 1021960241 /nfs/dbraw/zinc/96/02/41/1021960241.db2.gz LNSPEFAGBXLBME-DLOVCJGASA-N -1 0 324.446 3.543 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2O)sc1Cl ZINC000188450073 1021966831 /nfs/dbraw/zinc/96/68/31/1021966831.db2.gz QRJILYCXWCWHQM-UHFFFAOYSA-N -1 0 317.819 3.525 20 0 DHADRM COc1cccc(CCC(=O)Nc2cccc(Cl)c2[O-])c1F ZINC000556951446 1021967750 /nfs/dbraw/zinc/96/77/50/1021967750.db2.gz LWBVDQUIZKWHCI-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM O=C(c1cc(O)c2ccccc2c1)N1CC[C@@H](c2ccncc2)C1 ZINC000556954745 1021971020 /nfs/dbraw/zinc/97/10/20/1021971020.db2.gz LPAPCOSIPALLEV-MRXNPFEDSA-N -1 0 318.376 3.570 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000190664075 1021992254 /nfs/dbraw/zinc/99/22/54/1021992254.db2.gz KDCKUCHSLBNCJE-GXTWGEPZSA-N -1 0 321.417 3.779 20 0 DHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191136308 1021996714 /nfs/dbraw/zinc/99/67/14/1021996714.db2.gz XHNMEBMOIKJBDW-MRXNPFEDSA-N -1 0 319.445 3.666 20 0 DHADRM C[C@@H](N=c1[n-]c(C2CCC2)no1)c1ccccc1OC(F)F ZINC000649240927 1022094071 /nfs/dbraw/zinc/09/40/71/1022094071.db2.gz VNLQUPZJDBYXLP-SECBINFHSA-N -1 0 309.316 3.534 20 0 DHADRM CC1(C)CN(C(=O)CC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000649248459 1022139282 /nfs/dbraw/zinc/13/92/82/1022139282.db2.gz QTXGUVPYZJYBMO-UHFFFAOYSA-N -1 0 315.413 3.592 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000620567034 1022187708 /nfs/dbraw/zinc/18/77/08/1022187708.db2.gz VEZZXHVTHIIRQC-GFCCVEGCSA-N -1 0 317.389 3.503 20 0 DHADRM CCN(C(=O)C1CCC(C(=O)[O-])CC1)c1cccc(C)c1C ZINC000852952632 1022187650 /nfs/dbraw/zinc/18/76/50/1022187650.db2.gz NNDGNGGZOIUITR-UHFFFAOYSA-N -1 0 303.402 3.547 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000852943260 1022188792 /nfs/dbraw/zinc/18/87/92/1022188792.db2.gz SPUGZRMSFYQIFA-IBGZPJMESA-N -1 0 324.380 3.870 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000852949463 1022188900 /nfs/dbraw/zinc/18/89/00/1022188900.db2.gz BRZOFBMJAHLQNM-UHFFFAOYSA-N -1 0 319.426 3.937 20 0 DHADRM CC(C)c1ccccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000852953550 1022188985 /nfs/dbraw/zinc/18/89/85/1022188985.db2.gz RXWMTHCMPKFCRU-ZWKOTPCHSA-N -1 0 323.392 3.853 20 0 DHADRM COCOc1cccc(Cl)c1[N-]c1nnc(C(C)(C)C)o1 ZINC001214303475 1022207768 /nfs/dbraw/zinc/20/77/68/1022207768.db2.gz YZPHRCHIJOZPDU-UHFFFAOYSA-N -1 0 311.769 3.747 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c1Cl ZINC000538363436 1033039056 /nfs/dbraw/zinc/03/90/56/1033039056.db2.gz CSTAFTJCKLHOLT-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCc1ccccc1CNC(=O)c1cc(Cl)c(O)c(OC)c1 ZINC000153873037 1022258491 /nfs/dbraw/zinc/25/84/91/1022258491.db2.gz OUCVWEQXNPCCOQ-UHFFFAOYSA-N -1 0 319.788 3.547 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590400447 1022266909 /nfs/dbraw/zinc/26/69/09/1022266909.db2.gz WGKHYTNZGPNZMU-LLVKDONJSA-N -1 0 319.430 3.643 20 0 DHADRM COCCCCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000416341285 1022267988 /nfs/dbraw/zinc/26/79/88/1022267988.db2.gz WSAZEGVHYRDGHE-UHFFFAOYSA-N -1 0 321.804 3.697 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1ccccc1Cl ZINC000776680934 1022283173 /nfs/dbraw/zinc/28/31/73/1022283173.db2.gz QACQGFRZVWKSOG-MDZDMXLPSA-N -1 0 309.793 3.503 20 0 DHADRM CCC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000858988928 1033043675 /nfs/dbraw/zinc/04/36/75/1033043675.db2.gz STDYZOKIGRCWSM-CABCVRRESA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000858988929 1033044412 /nfs/dbraw/zinc/04/44/12/1033044412.db2.gz STDYZOKIGRCWSM-GJZGRUSLSA-N -1 0 311.809 3.798 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Nc1nccc(Br)c1[O-] ZINC001169382473 1022380904 /nfs/dbraw/zinc/38/09/04/1022380904.db2.gz DMLCWMXLJVJDFT-SECBINFHSA-N -1 0 315.211 3.561 20 0 DHADRM COc1ccc(-c2nn[nH]n2)cc1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001169383136 1022387352 /nfs/dbraw/zinc/38/73/52/1022387352.db2.gz 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/nfs/dbraw/zinc/47/28/30/1022472830.db2.gz CEKRZNCGWXDDSX-LBPRGKRZSA-N -1 0 321.364 3.555 20 0 DHADRM O=C([O-])CCCCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000263323490 1022477545 /nfs/dbraw/zinc/47/75/45/1022477545.db2.gz SCYHDSOTDXBNQX-KRWDZBQOSA-N -1 0 315.413 3.700 20 0 DHADRM Cc1ccccc1C1(C(=O)[N-]OCC(F)(F)F)CCCCC1 ZINC000766774360 1022489167 /nfs/dbraw/zinc/48/91/67/1022489167.db2.gz PEPXPWZLDDVNQL-UHFFFAOYSA-N -1 0 315.335 3.807 20 0 DHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]OCC(F)(F)F ZINC000766777651 1022493025 /nfs/dbraw/zinc/49/30/25/1022493025.db2.gz YLNNLQAVHHPTTJ-LBPRGKRZSA-N -1 0 319.323 3.578 20 0 DHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263342618 1022504493 /nfs/dbraw/zinc/50/44/93/1022504493.db2.gz YBOQHNZTIJYVLA-HNAYVOBHSA-N -1 0 317.429 3.940 20 0 DHADRM COc1ccc2cc(Nc3ccc(C(=O)[O-])c(C)c3)cnc2c1 ZINC001211652723 1022521411 /nfs/dbraw/zinc/52/14/11/1022521411.db2.gz MLERXBNQMZJSOR-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM 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KNWWLBBQIGXOHI-UHFFFAOYSA-N -1 0 317.983 3.963 20 0 DHADRM Cc1ccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000068726415 1022734272 /nfs/dbraw/zinc/73/42/72/1022734272.db2.gz SXAKVADYMDMXQI-PLSXKVAHSA-N -1 0 310.349 3.743 20 0 DHADRM CCCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)C(C)C ZINC000621532634 1022779648 /nfs/dbraw/zinc/77/96/48/1022779648.db2.gz IAZGMRRODQQXSK-QWHCGFSZSA-N -1 0 311.447 3.843 20 0 DHADRM CCCC[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(C)C ZINC000621579873 1022794943 /nfs/dbraw/zinc/79/49/43/1022794943.db2.gz CJFPBVAMMKFKHK-HNNXBMFYSA-N -1 0 317.429 3.732 20 0 DHADRM C[C@@H](C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1 ZINC000621589169 1022795492 /nfs/dbraw/zinc/79/54/92/1022795492.db2.gz POFKQWNWPNUADU-FHLIZLRMSA-N -1 0 323.392 3.607 20 0 DHADRM C[C@H]1CCc2nc(CNc3ccc(F)c(C(=O)[O-])c3)sc2C1 ZINC000417580952 1022795554 /nfs/dbraw/zinc/79/55/54/1022795554.db2.gz RVJOCNODDOPJIY-VIFPVBQESA-N -1 0 320.389 3.717 20 0 DHADRM 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CC[C@H]1c2ccsc2CCN1C(=O)CC(CC)(CC)C(=O)[O-] ZINC000386957449 1023098093 /nfs/dbraw/zinc/09/80/93/1023098093.db2.gz UDBYSIZAMKHJHX-ZDUSSCGKSA-N -1 0 323.458 3.865 20 0 DHADRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)cc1[O-] ZINC000181451284 1023102564 /nfs/dbraw/zinc/10/25/64/1023102564.db2.gz XGSWPNGVEPFMNM-QHHAFSJGSA-N -1 0 319.700 3.556 20 0 DHADRM Cc1cc(Nc2cccc(Cn3cccn3)c2)ccc1C(=O)[O-] ZINC001211657205 1023103585 /nfs/dbraw/zinc/10/35/85/1023103585.db2.gz GFSXVHQBPXYSQQ-UHFFFAOYSA-N -1 0 307.353 3.682 20 0 DHADRM Cc1cccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000622299202 1023105567 /nfs/dbraw/zinc/10/55/67/1023105567.db2.gz NWSAGEQKJIUBQR-UHFFFAOYSA-N -1 0 323.314 3.992 20 0 DHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC000652067256 1023115994 /nfs/dbraw/zinc/11/59/94/1023115994.db2.gz QXPGCBCTSPNOFF-GFCCVEGCSA-N -1 0 323.820 3.595 20 0 DHADRM O=C(Nc1ccc(OC2CCCC2)nc1)c1c([O-])cccc1F ZINC000622347901 1023122732 /nfs/dbraw/zinc/12/27/32/1023122732.db2.gz 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1023344691 /nfs/dbraw/zinc/34/46/91/1023344691.db2.gz KZYYZEGFJYLJTB-GIDUJCDVSA-N -1 0 310.762 3.943 20 0 DHADRM CC(C)(O)C1CCC(C(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000651588626 1023359616 /nfs/dbraw/zinc/35/96/16/1023359616.db2.gz XWMUFDVUCQNSLH-UHFFFAOYSA-N -1 0 311.809 3.561 20 0 DHADRM COC(=O)c1c(C)ccc(Nc2ccc(C(=O)[O-])c(C)c2)c1F ZINC001211663357 1023427456 /nfs/dbraw/zinc/42/74/56/1023427456.db2.gz GMXSVWHUMMNNBY-UHFFFAOYSA-N -1 0 317.316 3.671 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H](F)Cc1ccccc1 ZINC000771510463 1023446519 /nfs/dbraw/zinc/44/65/19/1023446519.db2.gz JZHSLEKLSMUVHJ-GFCCVEGCSA-N -1 0 311.715 3.704 20 0 DHADRM O=C([O-])c1cc(-c2cccnc2C(F)(F)F)cc(F)c1F ZINC001206031132 1023465800 /nfs/dbraw/zinc/46/58/00/1023465800.db2.gz CRHMDPGBTNBOJF-UHFFFAOYSA-N -1 0 303.186 3.744 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000236732474 1023635252 /nfs/dbraw/zinc/63/52/52/1023635252.db2.gz DQMBZQNBQPUEAX-SFHVURJKSA-N -1 0 316.401 3.711 20 0 DHADRM 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Cc1c2c(sc1NC(=O)C1CCC(C(=O)[O-])CC1)CCCC2 ZINC000194422594 335071193 /nfs/dbraw/zinc/07/11/93/335071193.db2.gz AVQPJQZGDGPYCR-UHFFFAOYSA-N -1 0 321.442 3.765 20 0 DHADRM CCCCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])c(C)c1 ZINC000417729804 335075123 /nfs/dbraw/zinc/07/51/23/335075123.db2.gz CRXPPKWMSGEPCR-UHFFFAOYSA-N -1 0 322.405 3.502 20 0 DHADRM CC1(C)CN(C(=O)c2ccc(F)cc2[O-])CC[C@@H]1C(F)(F)F ZINC000190734808 335078777 /nfs/dbraw/zinc/07/87/77/335078777.db2.gz HJOZRNZOYNXFPT-LBPRGKRZSA-N -1 0 319.298 3.582 20 0 DHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000161638590 332770604 /nfs/dbraw/zinc/77/06/04/332770604.db2.gz RBMFBUYNZWAAFR-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM CCC(CC)[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccs1 ZINC000570582167 332776963 /nfs/dbraw/zinc/77/69/63/332776963.db2.gz YOHHJXGKODKHAP-ZBEGNZNMSA-N -1 0 311.447 3.843 20 0 DHADRM OCC[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1 ZINC000570623067 332784267 /nfs/dbraw/zinc/78/42/67/332784267.db2.gz QYHJOJZEMDXAHU-OAHLLOKOSA-N -1 0 317.458 3.543 20 0 DHADRM CCCN(C(=O)Nc1ccc(Cl)c(F)c1)[C@@H](CC)C(=O)[O-] ZINC000570660234 332793876 /nfs/dbraw/zinc/79/38/76/332793876.db2.gz NBYJJRAADXIRLA-LBPRGKRZSA-N -1 0 316.760 3.586 20 0 DHADRM CC(C)c1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000322719301 332809320 /nfs/dbraw/zinc/80/93/20/332809320.db2.gz RTUTZFSWBATDQG-IMJJTQAJSA-N -1 0 316.401 3.527 20 0 DHADRM CC(C)COc1ccccc1CNc1ccc(CC(=O)[O-])cc1 ZINC000076273307 331594815 /nfs/dbraw/zinc/59/48/15/331594815.db2.gz YFKFCGPAJCKNCW-UHFFFAOYSA-N -1 0 313.397 3.961 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1C ZINC000186414961 332927378 /nfs/dbraw/zinc/92/73/78/332927378.db2.gz YOMHZJOSRUYWDY-SNVBAGLBSA-N -1 0 323.314 3.917 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000564430133 331767055 /nfs/dbraw/zinc/76/70/55/331767055.db2.gz ZORRAMAWRGAXKD-NSHDSACASA-N -1 0 320.389 3.640 20 0 DHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426765686 331767094 /nfs/dbraw/zinc/76/70/94/331767094.db2.gz RFLUKHAELOMLNB-KRWDZBQOSA-N -1 0 324.405 3.726 20 0 DHADRM CCC[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000261725340 331830453 /nfs/dbraw/zinc/83/04/53/331830453.db2.gz MHMYARHUBCYKAQ-QGZVFWFLSA-N -1 0 311.381 3.584 20 0 DHADRM C[C@H]1Oc2ccccc2[C@@H]1N=c1nc(-c2ccccc2)[n-]s1 ZINC000558047905 331844123 /nfs/dbraw/zinc/84/41/23/331844123.db2.gz PXWJNERJLSDWJP-IAQYHMDHSA-N -1 0 309.394 3.561 20 0 DHADRM Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C(C)C ZINC000577231853 331921864 /nfs/dbraw/zinc/92/18/64/331921864.db2.gz RRSKGDLYNZQZJS-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2ccccc2s1)c1ccc(F)cc1 ZINC000426768948 331937189 /nfs/dbraw/zinc/93/71/89/331937189.db2.gz DOBFZPQLHNBSNW-INIZCTEOSA-N -1 0 315.369 3.956 20 0 DHADRM Cc1noc(C)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130157748 332023339 /nfs/dbraw/zinc/02/33/39/332023339.db2.gz UQHGJNYWQJWGSQ-UHFFFAOYSA-N -1 0 301.129 3.556 20 0 DHADRM CCCc1ccc(S(=O)(=O)[N-]c2nc(CC)c(C)s2)cc1 ZINC000409511220 332035672 /nfs/dbraw/zinc/03/56/72/332035672.db2.gz PGDZRGGVGGUQKX-UHFFFAOYSA-N -1 0 324.471 3.767 20 0 DHADRM CCc1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)sc1C ZINC000409512867 332035783 /nfs/dbraw/zinc/03/57/83/332035783.db2.gz VERTZTOPHXRSDF-UHFFFAOYSA-N -1 0 324.471 3.740 20 0 DHADRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000410402230 332123502 /nfs/dbraw/zinc/12/35/02/332123502.db2.gz BCKDDXCVKLJSMI-UHFFFAOYSA-N -1 0 322.405 3.837 20 0 DHADRM O=C([O-])[C@H](NCc1cccc(-c2ccccn2)c1)c1cccs1 ZINC000426779786 332152443 /nfs/dbraw/zinc/15/24/43/332152443.db2.gz LHIAFGWWDRXTEY-QGZVFWFLSA-N -1 0 324.405 3.726 20 0 DHADRM O=C([O-])[C@@H](NCc1cccc(Cl)c1Cl)c1cccs1 ZINC000426785693 332153171 /nfs/dbraw/zinc/15/31/71/332153171.db2.gz QXMPDCBGITUQDZ-LBPRGKRZSA-N -1 0 316.209 3.970 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2F)o1 ZINC000426794139 332154451 /nfs/dbraw/zinc/15/44/51/332154451.db2.gz SVYYRUXDPJJTFU-LBPRGKRZSA-N -1 0 311.740 3.686 20 0 DHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)s1 ZINC000426804086 332155321 /nfs/dbraw/zinc/15/53/21/332155321.db2.gz RSXUUPOPJSJXPF-AWEZNQCLSA-N -1 0 309.818 3.934 20 0 DHADRM CC(C)Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000426811745 332157173 /nfs/dbraw/zinc/15/71/73/332157173.db2.gz OAZTXFRMSVWNKH-MRXNPFEDSA-N -1 0 303.427 3.862 20 0 DHADRM CCC[C@@H](C)C[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000426819300 332157615 /nfs/dbraw/zinc/15/76/15/332157615.db2.gz HTGCDWYMCCMFKP-CJNGLKHVSA-N -1 0 316.401 3.711 20 0 DHADRM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000426821647 332157899 /nfs/dbraw/zinc/15/78/99/332157899.db2.gz VPXPHIBATTXQHU-MRXNPFEDSA-N -1 0 319.426 3.698 20 0 DHADRM Cc1ccc(-c2csc(NC(=O)c3ncccc3[O-])n2)s1 ZINC000426998386 332164846 /nfs/dbraw/zinc/16/48/46/332164846.db2.gz QADXJPIMYHCFSH-UHFFFAOYSA-N -1 0 317.395 3.533 20 0 DHADRM CCC(CC)(CNC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000236845933 332206754 /nfs/dbraw/zinc/20/67/54/332206754.db2.gz NWBHZKARVNZVOE-OAHLLOKOSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1cc(C)c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c(C)c1 ZINC000536426881 332242710 /nfs/dbraw/zinc/24/27/10/332242710.db2.gz RCGZDCSBFRBYHV-UHFFFAOYSA-N -1 0 323.421 3.805 20 0 DHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000559431450 332258266 /nfs/dbraw/zinc/25/82/66/332258266.db2.gz JBGQHCJKGZEATA-LBPRGKRZSA-N -1 0 318.398 3.736 20 0 DHADRM Cc1ccc(F)c(C(=O)[O-])c1NC(=O)N(C)C1CCCCC1 ZINC000559959904 332297512 /nfs/dbraw/zinc/29/75/12/332297512.db2.gz ZBXCKOSXYKPBFY-UHFFFAOYSA-N -1 0 308.353 3.629 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCC1=O ZINC000408219709 332319705 /nfs/dbraw/zinc/31/97/05/332319705.db2.gz PTAHHISCKYSFBJ-JGVFFNPUSA-N -1 0 316.184 3.643 20 0 DHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ncc(C)cc2O)o1 ZINC000408225455 332336378 /nfs/dbraw/zinc/33/63/78/332336378.db2.gz UKCXLEKPTQNQGF-RISCZKNCSA-N -1 0 314.385 3.610 20 0 DHADRM CCc1csc(NC(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000560659705 332374787 /nfs/dbraw/zinc/37/47/87/332374787.db2.gz RIWOBBGLFGZLHL-UHFFFAOYSA-N -1 0 313.382 3.921 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000237580260 332377134 /nfs/dbraw/zinc/37/71/34/332377134.db2.gz MRCBHCRPGNNPHS-TZMCWYRMSA-N -1 0 319.401 3.613 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000262156546 332387167 /nfs/dbraw/zinc/38/71/67/332387167.db2.gz PMTOGKDHFUXYOI-ZIAGYGMSSA-N -1 0 303.402 3.983 20 0 DHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000261805561 332393876 /nfs/dbraw/zinc/39/38/76/332393876.db2.gz VDKQUMOIIZJJJY-UHFFFAOYSA-N -1 0 312.369 3.605 20 0 DHADRM CCc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1CC ZINC000561182706 332420645 /nfs/dbraw/zinc/42/06/45/332420645.db2.gz NFYIGBPKTDLPMR-ZDUSSCGKSA-N -1 0 318.417 3.530 20 0 DHADRM COc1cccc([C@H](C)C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000561344475 332439720 /nfs/dbraw/zinc/43/97/20/332439720.db2.gz QNWQJDRNZNWFDI-VIFPVBQESA-N -1 0 323.751 3.936 20 0 DHADRM Cc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000562417642 332590785 /nfs/dbraw/zinc/59/07/85/332590785.db2.gz YOQNZTHQZQEFNF-LBPRGKRZSA-N -1 0 318.398 3.564 20 0 DHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000443423264 332606434 /nfs/dbraw/zinc/60/64/34/332606434.db2.gz CDLVKHYEUNTAHB-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CCC(=O)[O-] ZINC000562873936 332635019 /nfs/dbraw/zinc/63/50/19/332635019.db2.gz OLNDYAWOYZWDFY-INIZCTEOSA-N -1 0 305.418 3.501 20 0 DHADRM COCc1cc(-c2cccc(C3(C(=O)[O-])CC3)c2)ccc1OC ZINC000565236670 332652436 /nfs/dbraw/zinc/65/24/36/332652436.db2.gz FVYDBSKUBGDFBK-UHFFFAOYSA-N -1 0 312.365 3.625 20 0 DHADRM CCCN(C(=O)Nc1ccccc1C(C)C)[C@H](CC)C(=O)[O-] ZINC000570437549 332754841 /nfs/dbraw/zinc/75/48/41/332754841.db2.gz OSIMPECTXZRGIO-OAHLLOKOSA-N -1 0 306.406 3.917 20 0 DHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCCC1 ZINC000176939558 332963426 /nfs/dbraw/zinc/96/34/26/332963426.db2.gz YXVGFMJHYRNYAF-UHFFFAOYSA-N -1 0 301.773 3.949 20 0 DHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCS1 ZINC000580201779 333002570 /nfs/dbraw/zinc/00/25/70/333002570.db2.gz DVJAVPLBBUTWEL-PRHODGIISA-N -1 0 320.241 3.556 20 0 DHADRM CCCn1nc(C)c(-c2ccc(C)c(C(=O)[O-])c2OC)c1C ZINC000580216815 333016328 /nfs/dbraw/zinc/01/63/28/333016328.db2.gz IXOWCQLSFCMNLO-UHFFFAOYSA-N -1 0 302.374 3.592 20 0 DHADRM COc1ccc([C@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183357096 333055929 /nfs/dbraw/zinc/05/59/29/333055929.db2.gz KYMGNFISORAFBV-JTQLQIEISA-N -1 0 321.323 3.512 20 0 DHADRM O=C(Nc1ccc(-c2cnco2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000183436462 333058780 /nfs/dbraw/zinc/05/87/80/333058780.db2.gz ZYPUJHVNOXWEJJ-UHFFFAOYSA-N -1 0 316.263 3.578 20 0 DHADRM Cc1ccc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC000580295924 333070398 /nfs/dbraw/zinc/07/03/98/333070398.db2.gz MFZQHMSIVPIFME-AWEZNQCLSA-N -1 0 311.381 3.673 20 0 DHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460432201 333085976 /nfs/dbraw/zinc/08/59/76/333085976.db2.gz SVBPBEIKOAZZHF-UHFFFAOYSA-N -1 0 319.426 3.928 20 0 DHADRM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000261923587 333101885 /nfs/dbraw/zinc/10/18/85/333101885.db2.gz IILZTLKKGFQYON-DFBGVHRSSA-N -1 0 321.804 3.506 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000212744926 333279233 /nfs/dbraw/zinc/27/92/33/333279233.db2.gz UBOWVOOPIJNYLW-ZDUSSCGKSA-N -1 0 309.793 3.508 20 0 DHADRM Cc1ccc(-c2nc(NC(=O)[C@H](c3ccccc3)C(C)C)n[nH]2)o1 ZINC000497742544 333286057 /nfs/dbraw/zinc/28/60/57/333286057.db2.gz MLRPDHMWUOZEDZ-HNNXBMFYSA-N -1 0 324.384 3.751 20 0 DHADRM COc1ccc(C)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184173890 333343173 /nfs/dbraw/zinc/34/31/73/333343173.db2.gz AIKCNXOLQQZOQN-UHFFFAOYSA-N -1 0 309.724 3.754 20 0 DHADRM C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184217691 333349454 /nfs/dbraw/zinc/34/94/54/333349454.db2.gz DNGZDWMVXFUUTE-VIFPVBQESA-N -1 0 305.736 3.776 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000063008845 333351234 /nfs/dbraw/zinc/35/12/34/333351234.db2.gz KWOFWUFORIHXLR-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM Cc1nc(NC(=O)c2cc(F)c([O-])c(Cl)c2)sc1C ZINC000184277283 333353372 /nfs/dbraw/zinc/35/33/72/333353372.db2.gz MUUNEUJKWVDURK-UHFFFAOYSA-N -1 0 300.742 3.510 20 0 DHADRM CCN(CC(F)F)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000184648956 333362992 /nfs/dbraw/zinc/36/29/92/333362992.db2.gz WWYGDYHJCXBQEC-UHFFFAOYSA-N -1 0 313.731 3.926 20 0 DHADRM CCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000055150110 333377234 /nfs/dbraw/zinc/37/72/34/333377234.db2.gz LCJURZQQCGJUAM-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM O=C(Nc1ccc2scnc2c1)c1cc(F)c([O-])c(F)c1 ZINC000186755639 333377680 /nfs/dbraw/zinc/37/76/80/333377680.db2.gz JNUHHOGOJJPLJU-UHFFFAOYSA-N -1 0 306.293 3.532 20 0 DHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000021818859 333390301 /nfs/dbraw/zinc/39/03/01/333390301.db2.gz MCRDCZVBUXBZND-ZDUSSCGKSA-N -1 0 324.163 3.549 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2cccc(C3CCC3)c2)C[C@@H]1C(=O)[O-] ZINC000563144997 333396495 /nfs/dbraw/zinc/39/64/95/333396495.db2.gz YJPDIKQDLGJIGT-LRDDRELGSA-N -1 0 316.401 3.529 20 0 DHADRM Cc1oc(CN(C)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC000563284232 333520805 /nfs/dbraw/zinc/52/08/05/333520805.db2.gz UOYASDGWLXYCBZ-JTQLQIEISA-N -1 0 320.389 3.765 20 0 DHADRM O=C([O-])c1cccc(NC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000238222270 333527482 /nfs/dbraw/zinc/52/74/82/333527482.db2.gz XCEKXTYYANGLCU-CQSZACIVSA-N -1 0 309.365 3.834 20 0 DHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)C[C@H]1C=CCC1 ZINC000531751905 333553023 /nfs/dbraw/zinc/55/30/23/333553023.db2.gz SCLMGBZGYARFQZ-VIFPVBQESA-N -1 0 321.423 3.634 20 0 DHADRM COc1cc(C)c(-c2ccccc2O[C@H](C)C(=O)[O-])cc1C ZINC000563435782 333605268 /nfs/dbraw/zinc/60/52/68/333605268.db2.gz CCRMAJHTQMBSSB-CYBMUJFWSA-N -1 0 300.354 3.831 20 0 DHADRM CC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2cccc(C)c2C)cc1 ZINC000563437013 333605443 /nfs/dbraw/zinc/60/54/43/333605443.db2.gz CZQQPDSUUYVXND-GOSISDBHSA-N -1 0 311.381 3.622 20 0 DHADRM CC(F)(F)CCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000414085318 333893618 /nfs/dbraw/zinc/89/36/18/333893618.db2.gz GLVLPVPIKKAAHL-HNNXBMFYSA-N -1 0 319.392 3.599 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1 ZINC000414454036 333984879 /nfs/dbraw/zinc/98/48/79/333984879.db2.gz RIFDYUGNDICROP-CQSZACIVSA-N -1 0 323.392 3.853 20 0 DHADRM CC(C)(C)[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000414610801 334040797 /nfs/dbraw/zinc/04/07/97/334040797.db2.gz KZVGVYKLTXVAFT-MRXNPFEDSA-N -1 0 320.433 3.718 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)NCCCCCC(=O)[O-])C(C)C ZINC000414612748 334040990 /nfs/dbraw/zinc/04/09/90/334040990.db2.gz MTPXQFWZDDTKPC-QGZVFWFLSA-N -1 0 320.433 3.636 20 0 DHADRM CC(C)CC[C@H]1CCCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414622897 334044920 /nfs/dbraw/zinc/04/49/20/334044920.db2.gz GRWISNUASGALSS-OAHLLOKOSA-N -1 0 312.454 3.632 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccc(OCC3CC3)cc2)c1 ZINC000414634021 334048589 /nfs/dbraw/zinc/04/85/89/334048589.db2.gz APWBCTBAOZEINA-UHFFFAOYSA-N -1 0 311.381 3.715 20 0 DHADRM O=C([O-])CCc1cccc(NCc2csc(C3CC3)n2)c1 ZINC000414652443 334055260 /nfs/dbraw/zinc/05/52/60/334055260.db2.gz HAPDNYIAPSLAFD-UHFFFAOYSA-N -1 0 302.399 3.650 20 0 DHADRM CC(C)(C)CC[C@@H](NCc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC000414655901 334058423 /nfs/dbraw/zinc/05/84/23/334058423.db2.gz JYXJJGXGTXRMLC-GFCCVEGCSA-N -1 0 324.421 3.805 20 0 DHADRM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(F)c1 ZINC000520996624 334172821 /nfs/dbraw/zinc/17/28/21/334172821.db2.gz DJPOTQKIICUJGC-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000294661473 334212270 /nfs/dbraw/zinc/21/22/70/334212270.db2.gz SXCSXRHEZQXGSD-BXKDBHETSA-N -1 0 318.200 3.843 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(C(F)(F)F)CCC1 ZINC000294956809 334214725 /nfs/dbraw/zinc/21/47/25/334214725.db2.gz JNNWALVZKXHVLL-UHFFFAOYSA-N -1 0 311.662 3.856 20 0 DHADRM O=C(NC[C@H]1CCCCC1(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000295463053 334223465 /nfs/dbraw/zinc/22/34/65/334223465.db2.gz QECDINLHZXWACK-SECBINFHSA-N -1 0 321.726 3.740 20 0 DHADRM O=C([O-])c1cc(/C=C\c2c(Cl)oc3ccccc23)ncn1 ZINC000534879323 334345179 /nfs/dbraw/zinc/34/51/79/334345179.db2.gz DGEFEEDIABTFEF-WAYWQWQTSA-N -1 0 300.701 3.745 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2ccccc2F)no1 ZINC000111689153 334353807 /nfs/dbraw/zinc/35/38/07/334353807.db2.gz JSBWTGULHPAMFH-UHFFFAOYSA-N -1 0 304.708 3.826 20 0 DHADRM [O-]c1cc(Cl)ccc1-c1nc(Cc2cccc(F)c2)no1 ZINC000111688716 334353981 /nfs/dbraw/zinc/35/39/81/334353981.db2.gz YZWWXZVEWAUZRD-UHFFFAOYSA-N -1 0 304.708 3.826 20 0 DHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1F ZINC000531999841 334368011 /nfs/dbraw/zinc/36/80/11/334368011.db2.gz WWHUDXGQLPJEGF-ZDUSSCGKSA-N -1 0 321.392 3.613 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)s1 ZINC000443408341 338450983 /nfs/dbraw/zinc/45/09/83/338450983.db2.gz 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312.207 3.559 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000037716393 336127431 /nfs/dbraw/zinc/12/74/31/336127431.db2.gz YEILAAVKYURPQE-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC000332113793 336159073 /nfs/dbraw/zinc/15/90/73/336159073.db2.gz ANJFGLMCOFAPGO-KRWDZBQOSA-N -1 0 311.381 3.632 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCCc3ccccc32)c1 ZINC000332283703 336166422 /nfs/dbraw/zinc/16/64/22/336166422.db2.gz BSAFRFCNDBDPLK-FQEVSTJZSA-N -1 0 323.392 3.828 20 0 DHADRM COc1cccc(Cl)c1/C=C/c1nc(C(=O)[O-])c(C)s1 ZINC000352026523 336190499 /nfs/dbraw/zinc/19/04/99/336190499.db2.gz KCCANEXUTHDWRA-VOTSOKGWSA-N -1 0 309.774 3.982 20 0 DHADRM COc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)c(Cl)c1 ZINC000352034783 336191042 /nfs/dbraw/zinc/19/10/42/336191042.db2.gz HNNNGRWIJFWPQW-GQCTYLIASA-N -1 0 309.774 3.982 20 0 DHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 ZINC000333015651 336196771 /nfs/dbraw/zinc/19/67/71/336196771.db2.gz 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3.509 20 0 DHADRM CC(C)c1cnc(N(C)Cc2nc(=O)c3sccc3[n-]2)s1 ZINC000357319792 336580440 /nfs/dbraw/zinc/58/04/40/336580440.db2.gz WQLRLRSTNXGACC-UHFFFAOYSA-N -1 0 320.443 3.613 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2onc(C3CCCCC3)c2C)o1 ZINC000357368540 336582671 /nfs/dbraw/zinc/58/26/71/336582671.db2.gz IDQXFEDWYRYFFE-UHFFFAOYSA-N -1 0 324.402 3.733 20 0 DHADRM CCOc1nc(C)ccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000359781745 336687410 /nfs/dbraw/zinc/68/74/10/336687410.db2.gz FNCRUECNGFSNFZ-UHFFFAOYSA-N -1 0 324.739 3.539 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C\c3cccc4nccn43)ccc2c1 ZINC000361500024 336759573 /nfs/dbraw/zinc/75/95/73/336759573.db2.gz YTLYMBAFHXBXFF-FPLPWBNLSA-N -1 0 315.332 3.751 20 0 DHADRM Cc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1C ZINC000392021797 336965677 /nfs/dbraw/zinc/96/56/77/336965677.db2.gz XZZMDNGZDDDZDS-QGZVFWFLSA-N -1 0 324.380 3.519 20 0 DHADRM CCC(CC)CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375354156 337009068 /nfs/dbraw/zinc/00/90/68/337009068.db2.gz 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Cc1cccc2cc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])oc21 ZINC000262722158 337620872 /nfs/dbraw/zinc/62/08/72/337620872.db2.gz FITDPWGNLRSAQT-ACJLOTCBSA-N -1 0 315.369 3.505 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262747690 337620968 /nfs/dbraw/zinc/62/09/68/337620968.db2.gz ICLJGLMGDDEIDO-GFCCVEGCSA-N -1 0 324.380 3.646 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262845661 337621981 /nfs/dbraw/zinc/62/19/81/337621981.db2.gz AUCAUYGOEFVKFX-MJVIPROJSA-N -1 0 311.809 3.654 20 0 DHADRM C[C@@H]1CCN(C(=O)CCCCCc2cccs2)[C@H](C(=O)[O-])C1 ZINC000262859249 337621982 /nfs/dbraw/zinc/62/19/82/337621982.db2.gz AOHFYTQGSSISLU-HIFRSBDPSA-N -1 0 323.458 3.563 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CC1CC(c2ccccc2)C1 ZINC000262874017 337622075 /nfs/dbraw/zinc/62/20/75/337622075.db2.gz GGAQUVUKCYQNPG-KJXMEXGPSA-N -1 0 317.429 3.576 20 0 DHADRM CCCC[C@H](CC)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262976596 337622770 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C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccsc2)c1 ZINC000263164309 337625027 /nfs/dbraw/zinc/62/50/27/337625027.db2.gz FEIZYKJKWUBJSQ-LLVKDONJSA-N -1 0 303.383 3.508 20 0 DHADRM C[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1cccs1 ZINC000263183393 337625134 /nfs/dbraw/zinc/62/51/34/337625134.db2.gz HNKXKCKLXOFGOQ-QWRGUYRKSA-N -1 0 303.383 3.678 20 0 DHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCCCCc1cccs1 ZINC000263320519 337626449 /nfs/dbraw/zinc/62/64/49/337626449.db2.gz JLWCZCSPENCUMY-UKRRQHHQSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263340781 337626595 /nfs/dbraw/zinc/62/65/95/337626595.db2.gz RWVAZFXYFQLKOI-BLLLJJGKSA-N -1 0 319.401 3.551 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2CCC3)c1 ZINC000263362745 337626951 /nfs/dbraw/zinc/62/69/51/337626951.db2.gz YVXFOLQVCDWFTJ-GFCCVEGCSA-N -1 0 309.365 3.616 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000263398921 337627687 /nfs/dbraw/zinc/62/76/87/337627687.db2.gz IHBPRZKGPPQNAJ-AWEZNQCLSA-N -1 0 307.390 3.522 20 0 DHADRM CC[C@@H](C)n1ncc(NC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000263435351 337628916 /nfs/dbraw/zinc/62/89/16/337628916.db2.gz UILHKVSEBOQSOE-LMWSTFAQSA-N -1 0 305.422 3.787 20 0 DHADRM CCc1cccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000263509422 337630817 /nfs/dbraw/zinc/63/08/17/337630817.db2.gz BXXKNZXITUNXHB-UHFFFAOYSA-N -1 0 311.381 3.745 20 0 DHADRM C[C@H](CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000263510527 337630825 /nfs/dbraw/zinc/63/08/25/337630825.db2.gz CGALMMYKEMJURV-PBHICJAKSA-N -1 0 323.392 3.785 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263519187 337631079 /nfs/dbraw/zinc/63/10/79/337631079.db2.gz GIMNXJVJFDLOHP-HUUCEWRRSA-N -1 0 309.450 3.839 20 0 DHADRM COc1ccc(C[C@@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000263535170 337631340 /nfs/dbraw/zinc/63/13/40/337631340.db2.gz YTXYVKRPZMOSDE-CQSZACIVSA-N -1 0 313.397 3.756 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263546723 337631501 /nfs/dbraw/zinc/63/15/01/337631501.db2.gz UKWDGMQJGIGUON-WFASDCNBSA-N -1 0 323.458 3.867 20 0 DHADRM O=S(=O)([N-]c1cc(F)ccc1Oc1ccccc1)C1CC1 ZINC000171024009 337670836 /nfs/dbraw/zinc/67/08/36/337670836.db2.gz CEJGSRHWPUETBZ-UHFFFAOYSA-N -1 0 307.346 3.522 20 0 DHADRM CCC(CC)n1ncc(C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000191376475 337677567 /nfs/dbraw/zinc/67/75/67/337677567.db2.gz KKAJUUSDRQVDSM-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM CC(C)c1ccsc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000422567034 337682905 /nfs/dbraw/zinc/68/29/05/337682905.db2.gz VPCJUBQKVNMESI-UHFFFAOYSA-N -1 0 309.412 3.561 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000035347500 337742978 /nfs/dbraw/zinc/74/29/78/337742978.db2.gz JNDFDJCMKIFYTL-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424252100 337812644 /nfs/dbraw/zinc/81/26/44/337812644.db2.gz JYYGYGQKYGFRHI-DOMZBBRYSA-N -1 0 321.442 3.512 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1csc2ccccc12)C(=O)[O-] ZINC000424384864 337829510 /nfs/dbraw/zinc/82/95/10/337829510.db2.gz SEUPORGRAZSNPF-LLVKDONJSA-N -1 0 320.414 3.770 20 0 DHADRM C/C=C/c1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424392946 337830063 /nfs/dbraw/zinc/83/00/63/337830063.db2.gz VHUXNKLXEVZAJQ-ISZGNANSSA-N -1 0 304.390 3.588 20 0 DHADRM CC(C)[C@@H](CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533188788 337833821 /nfs/dbraw/zinc/83/38/21/337833821.db2.gz RSFHUMGAPWNZTP-DOTOQJQBSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1c([O-])cccc1F ZINC000120134905 337869132 /nfs/dbraw/zinc/86/91/32/337869132.db2.gz SBNKDYZMAXQYIN-VIFPVBQESA-N -1 0 309.287 3.643 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000120216562 337871554 /nfs/dbraw/zinc/87/15/54/337871554.db2.gz UUXZWMTVEPOLAV-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1F ZINC000121596097 337895835 /nfs/dbraw/zinc/89/58/35/337895835.db2.gz ALBJUWVXFZFTPH-UHFFFAOYSA-N -1 0 322.336 3.555 20 0 DHADRM C[C@@H]1C[C@H](C(=O)N2CCC(CCC(=O)[O-])CC2)CC(C)(C)C1 ZINC000514771682 337970592 /nfs/dbraw/zinc/97/05/92/337970592.db2.gz QRDKQOPWWQVIDY-HIFRSBDPSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC000515431336 337988807 /nfs/dbraw/zinc/98/88/07/337988807.db2.gz CSRWIFMKZCVKKP-UHFFFAOYSA-N -1 0 317.429 3.735 20 0 DHADRM Cc1cccc([C@H]2CCCCN2c2ncc(C(=O)[O-])cn2)c1C ZINC000516472492 338013154 /nfs/dbraw/zinc/01/31/54/338013154.db2.gz BZKAUXFPQBRZDH-MRXNPFEDSA-N -1 0 311.385 3.523 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CCC(c2ccsc2)CC1 ZINC000516481679 338013271 /nfs/dbraw/zinc/01/32/71/338013271.db2.gz JPTDDPGWCDBIRA-INIZCTEOSA-N -1 0 319.401 3.893 20 0 DHADRM C[C@@H](Sc1ccccn1)c1nc(-c2ccc(O)cc2F)no1 ZINC000445457507 338018314 /nfs/dbraw/zinc/01/83/14/338018314.db2.gz NMGKRTFGSNXQFH-SECBINFHSA-N -1 0 317.345 3.830 20 0 DHADRM Cc1ccc(-c2ccc(CNCc3cc(C(=O)[O-])co3)o2)cc1 ZINC000426688547 338038177 /nfs/dbraw/zinc/03/81/77/338038177.db2.gz RADPCFPFSTVUMW-UHFFFAOYSA-N -1 0 311.337 3.836 20 0 DHADRM O=C([O-])[C@@H](NCc1coc2ccccc12)c1c(F)cccc1F ZINC000426742389 338040188 /nfs/dbraw/zinc/04/01/88/338040188.db2.gz JJSZQACLFMMXJE-INIZCTEOSA-N -1 0 317.291 3.627 20 0 DHADRM O=C([O-])[C@@H](NCc1ccsc1)c1c(Cl)cccc1Cl ZINC000426755462 338040973 /nfs/dbraw/zinc/04/09/73/338040973.db2.gz ZOISZLJHUOBHCD-LBPRGKRZSA-N -1 0 316.209 3.970 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431440032 338130803 /nfs/dbraw/zinc/13/08/03/338130803.db2.gz FYUHTRYSXBFKAY-XPTSAGLGSA-N -1 0 321.398 3.546 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C\c3cncc(F)c3)sc2c1 ZINC000431557386 338133761 /nfs/dbraw/zinc/13/37/61/338133761.db2.gz MWOWFKIGLGSEMP-RJRFIUFISA-N -1 0 300.314 3.699 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000431656332 338135696 /nfs/dbraw/zinc/13/56/96/338135696.db2.gz XNFUQUJAYKAXNA-STQMWFEESA-N -1 0 319.401 3.551 20 0 DHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnc2ccccc12 ZINC000431777331 338138543 /nfs/dbraw/zinc/13/85/43/338138543.db2.gz YAPBBXIMFMNMJL-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431864731 338140587 /nfs/dbraw/zinc/14/05/87/338140587.db2.gz KUKFJNLFUAALAT-ACJLOTCBSA-N -1 0 313.397 3.908 20 0 DHADRM CC(C)(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431870761 338140692 /nfs/dbraw/zinc/14/06/92/338140692.db2.gz ODAOFGKDQRRWGU-QGZVFWFLSA-N -1 0 313.397 3.908 20 0 DHADRM CCCC[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC000431990252 338143168 /nfs/dbraw/zinc/14/31/68/338143168.db2.gz GNBJOUFJHQDODR-OAHLLOKOSA-N -1 0 305.418 3.504 20 0 DHADRM C[C@H]1C[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000432003673 338143367 /nfs/dbraw/zinc/14/33/67/338143367.db2.gz SOJJVAJRLMPMCY-QWHCGFSZSA-N -1 0 319.401 3.551 20 0 DHADRM C[C@]1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC[C@H]1C(=O)[O-] ZINC000432093181 338145412 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Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000432120954 338146260 /nfs/dbraw/zinc/14/62/60/338146260.db2.gz SOOZMTKBAIHBGI-AWEZNQCLSA-N -1 0 311.381 3.835 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])CC1 ZINC000432131798 338146574 /nfs/dbraw/zinc/14/65/74/338146574.db2.gz VWIXXHFQNOWRRW-YRBFXIGRSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1ccnc(-c2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)n1 ZINC000432519541 338158114 /nfs/dbraw/zinc/15/81/14/338158114.db2.gz OMDKFTAGOWHIPG-UHFFFAOYSA-N -1 0 320.377 3.829 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC000433837013 338203019 /nfs/dbraw/zinc/20/30/19/338203019.db2.gz RCBSFBVZYXVDHV-LLVKDONJSA-N -1 0 323.389 3.846 20 0 DHADRM CCOc1nccc(C)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000434263886 338213943 /nfs/dbraw/zinc/21/39/43/338213943.db2.gz LPSKWDGRFLWTOA-UHFFFAOYSA-N -1 0 324.739 3.539 20 0 DHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000434628767 338221886 /nfs/dbraw/zinc/22/18/86/338221886.db2.gz 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[O-]c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)cc1Cl ZINC000436521356 338275061 /nfs/dbraw/zinc/27/50/61/338275061.db2.gz CWVNIRKTSKETRJ-UHFFFAOYSA-N -1 0 312.716 3.639 20 0 DHADRM C[C@H]1CCc2nc(NC(=O)c3cc(F)c([O-])c(F)c3)sc2C1 ZINC000436533086 338275524 /nfs/dbraw/zinc/27/55/24/338275524.db2.gz SYYMFTCXWICXHX-ZETCQYMHSA-N -1 0 324.352 3.504 20 0 DHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436534816 338275816 /nfs/dbraw/zinc/27/58/16/338275816.db2.gz YBCDHJBVXGDTOB-UHFFFAOYSA-N -1 0 323.314 3.862 20 0 DHADRM CCn1ncc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc21 ZINC000436537914 338275846 /nfs/dbraw/zinc/27/58/46/338275846.db2.gz GTSQIOOZTSZSRR-UHFFFAOYSA-N -1 0 315.760 3.668 20 0 DHADRM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436550837 338276689 /nfs/dbraw/zinc/27/66/89/338276689.db2.gz ZDQWCYOIADVJKH-YPMHNXCESA-N -1 0 322.191 3.985 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1C ZINC000436578707 338278195 /nfs/dbraw/zinc/27/81/95/338278195.db2.gz 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O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(Cl)ccc1[O-] ZINC000436695325 338283225 /nfs/dbraw/zinc/28/32/25/338283225.db2.gz DEYMNASPIUBKRF-GFCCVEGCSA-N -1 0 317.772 3.802 20 0 DHADRM CCOCc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436710906 338283654 /nfs/dbraw/zinc/28/36/54/338283654.db2.gz AWZVBMUISLFHBP-UHFFFAOYSA-N -1 0 305.761 3.834 20 0 DHADRM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)C1 ZINC000436714873 338283839 /nfs/dbraw/zinc/28/38/39/338283839.db2.gz JORMPEYFUJKJJQ-QFYYESIMSA-N -1 0 311.784 3.837 20 0 DHADRM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(O)cc1O ZINC000436732146 338284674 /nfs/dbraw/zinc/28/46/74/338284674.db2.gz OZYOMEWNFAUQTA-CABCVRRESA-N -1 0 311.381 3.554 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCCn2c(cc3ccccc32)C1 ZINC000436736494 338284819 /nfs/dbraw/zinc/28/48/19/338284819.db2.gz GDTFOONNSLBVKM-UHFFFAOYSA-N -1 0 324.355 3.532 20 0 DHADRM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000436757549 338285847 /nfs/dbraw/zinc/28/58/47/338285847.db2.gz INLWWWLAGNHTOW-ZDUSSCGKSA-N 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CC(C)(C)c1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)no1 ZINC000163562404 518997312 /nfs/dbraw/zinc/99/73/12/518997312.db2.gz POVWCCLIJRKFQY-UHFFFAOYSA-N -1 0 317.370 3.654 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245718634 519824114 /nfs/dbraw/zinc/82/41/14/519824114.db2.gz OKEVRMNGCKUGFX-GVDBMIGSSA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000236745256 519839566 /nfs/dbraw/zinc/83/95/66/519839566.db2.gz CUDVTACFDMAXRZ-DLBZAZTESA-N -1 0 317.429 3.675 20 0 DHADRM CCCCC[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236859263 520307016 /nfs/dbraw/zinc/30/70/16/520307016.db2.gz CXCRVJUTCZBXEN-STQMWFEESA-N -1 0 323.458 3.950 20 0 DHADRM CC1=C(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)CCC1 ZINC000263080623 520798748 /nfs/dbraw/zinc/79/87/48/520798748.db2.gz PSWJYUCMKSDGQA-SFHVURJKSA-N -1 0 323.392 3.972 20 0 DHADRM CCCCOc1ccc(NC(=O)CCCCC(=O)[O-])c(C)c1 ZINC000263260453 520885912 /nfs/dbraw/zinc/88/59/12/520885912.db2.gz GJIMQCIFQZSPHY-UHFFFAOYSA-N -1 0 307.390 3.757 20 0 DHADRM CCCn1nc(C)c(C(=O)Nc2cccc(Cl)c2[O-])c1C ZINC000179723784 521667084 /nfs/dbraw/zinc/66/70/84/521667084.db2.gz OOLZCWFYELFJGY-UHFFFAOYSA-N -1 0 307.781 3.521 20 0 DHADRM CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000262026418 521997183 /nfs/dbraw/zinc/99/71/83/521997183.db2.gz AHRLTYAPBIIOIC-CQSZACIVSA-N -1 0 317.410 3.565 20 0 DHADRM CC[C@H](CC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262681951 522101382 /nfs/dbraw/zinc/10/13/82/522101382.db2.gz WPFFFRHCEJEHDY-ODIFPOPNSA-N -1 0 317.429 3.638 20 0 DHADRM CC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(F)cc1F ZINC000337876510 522657950 /nfs/dbraw/zinc/65/79/50/522657950.db2.gz QUICIBMCYXZUDI-QPUJVOFHSA-N -1 0 313.373 3.509 20 0 DHADRM CC[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000182825210 523117469 /nfs/dbraw/zinc/11/74/69/523117469.db2.gz OVGLHLGZCGRXAL-DTWKUNHWSA-N -1 0 301.308 3.508 20 0 DHADRM CC[C@H]1CN(C(=O)CCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000263293611 523220488 /nfs/dbraw/zinc/22/04/88/523220488.db2.gz LYPKOFJKDLFVKF-RDJZCZTQSA-N -1 0 317.429 3.674 20 0 DHADRM CO[C@@H](C)c1nc(=NCc2ccc(C3CCC3)cc2)s[n-]1 ZINC000337947121 523461444 /nfs/dbraw/zinc/46/14/44/523461444.db2.gz QSJSTTPWONCTEV-NSHDSACASA-N -1 0 303.431 3.547 20 0 DHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237143494 523894145 /nfs/dbraw/zinc/89/41/45/523894145.db2.gz MEHIBLDNIDFBJS-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM CO[C@H](C)c1nc(=NCc2ccc(C3CCC3)cc2)s[n-]1 ZINC000337947116 523907658 /nfs/dbraw/zinc/90/76/58/523907658.db2.gz QSJSTTPWONCTEV-LLVKDONJSA-N -1 0 303.431 3.547 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000236950766 524020982 /nfs/dbraw/zinc/02/09/82/524020982.db2.gz TZDLPXRJQGPBNP-IGEOTXOUSA-N -1 0 317.429 3.502 20 0 DHADRM Cc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000355686254 524274557 /nfs/dbraw/zinc/27/45/57/524274557.db2.gz SPXJPAIMPLPKFD-UHFFFAOYSA-N -1 0 311.168 3.584 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237534264 524443220 /nfs/dbraw/zinc/44/32/20/524443220.db2.gz UVVBNPSWNMWRCX-JTQLQIEISA-N -1 0 321.760 3.583 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@@H](c2ccco2)C1 ZINC000237531105 524485147 /nfs/dbraw/zinc/48/51/47/524485147.db2.gz ITIRVQRFFYRNBM-GHMZBOCLSA-N -1 0 319.382 3.653 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237415012 525689373 /nfs/dbraw/zinc/68/93/73/525689373.db2.gz BKFCHYLGFAXMJT-LLVKDONJSA-N -1 0 303.383 3.588 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000263504345 525765460 /nfs/dbraw/zinc/76/54/60/525765460.db2.gz ZRKXUQVPRSUFOV-NEPJUHHUSA-N -1 0 317.410 3.563 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128671346 525885579 /nfs/dbraw/zinc/88/55/79/525885579.db2.gz BUMRRRCTWHFQOB-CHWSQXEVSA-N -1 0 315.394 3.805 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N1CCCC(C)(C)C1)C(=O)[O-] ZINC000181916136 525995113 /nfs/dbraw/zinc/99/51/13/525995113.db2.gz KUKGJKFCVBCNCR-GFCCVEGCSA-N -1 0 321.442 3.514 20 0 DHADRM CSc1cccc(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000338388765 526106295 /nfs/dbraw/zinc/10/62/95/526106295.db2.gz YZGFBCTVLMCNGH-UHFFFAOYSA-N -1 0 324.405 3.527 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000237624494 526221282 /nfs/dbraw/zinc/22/12/82/526221282.db2.gz WHVVQHILIILCGX-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM C[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC000237534314 526249747 /nfs/dbraw/zinc/24/97/47/526249747.db2.gz UHDFZKQPMJNGCQ-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)s1 ZINC000237980467 526362061 /nfs/dbraw/zinc/36/20/61/526362061.db2.gz GCTBWFHAAMRGSD-LBPRGKRZSA-N -1 0 319.357 3.563 20 0 DHADRM O=C([O-])c1cccc(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000238200920 526387020 /nfs/dbraw/zinc/38/70/20/526387020.db2.gz KPQNXKNDFLEVKZ-UHFFFAOYSA-N -1 0 301.386 3.570 20 0 DHADRM O=C(CC[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000226264126 526568781 /nfs/dbraw/zinc/56/87/81/526568781.db2.gz UIBVPZBFOKHIST-SNVBAGLBSA-N -1 0 318.200 3.987 20 0 DHADRM Cc1noc(C2CC2)c1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000154075728 526583420 /nfs/dbraw/zinc/58/34/20/526583420.db2.gz NWMHUAFWWXCKRI-UHFFFAOYSA-N -1 0 314.238 3.669 20 0 DHADRM O=C([N-][C@@H](c1cc2ccccc2o1)c1ccncc1)C(F)(F)F ZINC000363646261 526866602 /nfs/dbraw/zinc/86/66/02/526866602.db2.gz KIQBNBJLJKHXNJ-CQSZACIVSA-N -1 0 320.270 3.596 20 0 DHADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)CC2CCCC2)sc1C(=O)[O-] ZINC000237486462 527061944 /nfs/dbraw/zinc/06/19/44/527061944.db2.gz QKEYKEQRGIVVBA-ONGXEEELSA-N -1 0 324.446 3.543 20 0 DHADRM O=C(Nc1cccc(C(F)F)c1)c1s[n-]c(=O)c1Cl ZINC000339253756 527334084 /nfs/dbraw/zinc/33/40/84/527334084.db2.gz GPCWIRNMFXIDCX-UHFFFAOYSA-N -1 0 304.705 3.692 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1cccc2ccccc21 ZINC000238106630 527577710 /nfs/dbraw/zinc/57/77/10/527577710.db2.gz KCUBBEDWFSSHFP-UHFFFAOYSA-N -1 0 313.397 3.995 20 0 DHADRM O=C([O-])CCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000238169504 527581898 /nfs/dbraw/zinc/58/18/98/527581898.db2.gz YHWQBIDBADLLGJ-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 ZINC000013173729 527633196 /nfs/dbraw/zinc/63/31/96/527633196.db2.gz HNBGIORYTHJWNC-HNNXBMFYSA-N -1 0 323.820 3.942 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2csc3c2CCCC3)c1 ZINC000238131362 527639658 /nfs/dbraw/zinc/63/96/58/527639658.db2.gz WOPAGRKZTSKNIO-UHFFFAOYSA-N -1 0 315.394 3.506 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1 ZINC000299467408 535712843 /nfs/dbraw/zinc/71/28/43/535712843.db2.gz AMKFLHXRJRANIU-SNVBAGLBSA-N -1 0 308.403 3.606 20 0 DHADRM O=C([O-])C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000013167448 596935283 /nfs/dbraw/zinc/93/52/83/596935283.db2.gz DSRQBHUMFCCTKG-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)[O-] ZINC000739053303 597049226 /nfs/dbraw/zinc/04/92/26/597049226.db2.gz QFBHRPYAEHKTLS-SNVBAGLBSA-N -1 0 321.402 3.609 20 0 DHADRM COc1ccc(CNc2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000818591560 597137956 /nfs/dbraw/zinc/13/79/56/597137956.db2.gz PCKZDHTXLNKQOH-UHFFFAOYSA-N -1 0 305.761 3.588 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000738623987 597192757 /nfs/dbraw/zinc/19/27/57/597192757.db2.gz LFDLWMYHESJCGX-SFHVURJKSA-N -1 0 324.380 3.587 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818161936 597203778 /nfs/dbraw/zinc/20/37/78/597203778.db2.gz HFDAUDYXFQLQCK-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM CC(C)[C@H](NC(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000817969401 597264571 /nfs/dbraw/zinc/26/45/71/597264571.db2.gz LCGAUGRIHQYCBD-JTQLQIEISA-N -1 0 320.723 3.508 20 0 DHADRM CC(C)[C@@H](NC(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000817943246 597264748 /nfs/dbraw/zinc/26/47/48/597264748.db2.gz LCGAUGRIHQYCBD-SNVBAGLBSA-N -1 0 320.723 3.508 20 0 DHADRM CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818143687 597282789 /nfs/dbraw/zinc/28/27/89/597282789.db2.gz LPIYSNLFYITJEQ-KKSFZXQISA-N -1 0 302.395 3.785 20 0 DHADRM CC[C@H](c1ccccc1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818143686 597282863 /nfs/dbraw/zinc/28/28/63/597282863.db2.gz LPIYSNLFYITJEQ-IIBYNOLFSA-N -1 0 302.395 3.785 20 0 DHADRM CC[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818143636 597285973 /nfs/dbraw/zinc/28/59/73/597285973.db2.gz HZMZVYZHUVONOW-KSFYIVLOSA-N -1 0 320.385 3.924 20 0 DHADRM Cc1cccc([C@@H](C)[S@@](=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000818939266 597286663 /nfs/dbraw/zinc/28/66/63/597286663.db2.gz JMCPXUZRQVTMGM-ASSNKEHSSA-N -1 0 302.395 3.703 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc3ccsc32)C1 ZINC000386292549 597380299 /nfs/dbraw/zinc/38/02/99/597380299.db2.gz IFPDRNSNLIANBJ-NSHDSACASA-N -1 0 318.398 3.620 20 0 DHADRM Cc1nnc(SCCCCC(=O)[O-])n1[C@H]1CCC[C@@H](C)C1 ZINC000821224771 597758007 /nfs/dbraw/zinc/75/80/07/597758007.db2.gz KRRHPSDKWOZIJF-YPMHNXCESA-N -1 0 311.451 3.685 20 0 DHADRM 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315.350 3.818 20 0 DHADRM O=C([O-])c1cc(NCc2ccc(OC(F)F)cc2)ccc1F ZINC000315856573 600675696 /nfs/dbraw/zinc/67/56/96/600675696.db2.gz LZGYILPHNWTSHH-UHFFFAOYSA-N -1 0 311.259 3.737 20 0 DHADRM O=C([O-])c1ccc(F)c(NCc2ccc(OC(F)F)cc2)c1 ZINC000387307940 600675725 /nfs/dbraw/zinc/67/57/25/600675725.db2.gz ORTAUPUAJQVSTA-UHFFFAOYSA-N -1 0 311.259 3.737 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)CCc1ccccc1Cl ZINC000739891873 600676415 /nfs/dbraw/zinc/67/64/15/600676415.db2.gz KLSUGQBJWIKJNV-UHFFFAOYSA-N -1 0 318.756 3.505 20 0 DHADRM Cc1cc(NCc2cccc([N+](=O)[O-])c2C)ccc1C(=O)[O-] ZINC000319205970 600676501 /nfs/dbraw/zinc/67/65/01/600676501.db2.gz NMURATLIZYJNOH-UHFFFAOYSA-N -1 0 300.314 3.522 20 0 DHADRM O=C([O-])[C@H](OC(=O)CCC1CC1)c1ccc(Cl)cc1Cl ZINC000833096708 600677999 /nfs/dbraw/zinc/67/79/99/600677999.db2.gz UDQCJUOGOSKURW-CYBMUJFWSA-N -1 0 317.168 3.853 20 0 DHADRM CCCCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000736998664 600686906 /nfs/dbraw/zinc/68/69/06/600686906.db2.gz 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601277748 /nfs/dbraw/zinc/27/77/48/601277748.db2.gz DGEQYJRFHXPNPM-HYXAFXHYSA-N -1 0 313.328 3.874 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCC1 ZINC000826021009 601282859 /nfs/dbraw/zinc/28/28/59/601282859.db2.gz KJNUQNMSYZFONP-GFCCVEGCSA-N -1 0 321.442 3.769 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCC2CCC2)c(OC(F)F)c1 ZINC000621564545 601284267 /nfs/dbraw/zinc/28/42/67/601284267.db2.gz MXFXRWWTVLJPHT-UHFFFAOYSA-N -1 0 313.300 3.505 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc2ccccc12 ZINC000262142706 601308033 /nfs/dbraw/zinc/30/80/33/601308033.db2.gz SENAYBQUJLUUIJ-UHFFFAOYSA-N -1 0 305.399 3.665 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000828710273 601315290 /nfs/dbraw/zinc/31/52/90/601315290.db2.gz WLKZTVKMTKNDLB-GUYCJALGSA-N -1 0 319.445 3.532 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000832872466 601332811 /nfs/dbraw/zinc/33/28/11/601332811.db2.gz WWTUMFXPEMGDRW-UHFFFAOYSA-N -1 0 322.386 3.601 20 0 DHADRM O=C([O-])c1cccc(OCc2noc(/C=C/c3ccccc3)n2)c1 ZINC000833332028 601365750 /nfs/dbraw/zinc/36/57/50/601365750.db2.gz GSLJIOPLUOWCHQ-MDZDMXLPSA-N -1 0 322.320 3.517 20 0 DHADRM O=C([O-])Nc1ccccc1OCCOc1ccccc1Cl ZINC000833287437 601369283 /nfs/dbraw/zinc/36/92/83/601369283.db2.gz HWFJDDTZLAPCBK-UHFFFAOYSA-N -1 0 307.733 3.888 20 0 DHADRM O=C([O-])Nc1ccccc1OCCCOc1ccc(F)cc1 ZINC000833288087 601369478 /nfs/dbraw/zinc/36/94/78/601369478.db2.gz SFELALMAGSWQOE-UHFFFAOYSA-N -1 0 305.305 3.764 20 0 DHADRM O=C([O-])c1coc(COc2ccc(Oc3nccs3)cc2)c1 ZINC000833340563 601374995 /nfs/dbraw/zinc/37/49/95/601374995.db2.gz IGXDANSEZVWYLO-UHFFFAOYSA-N -1 0 317.322 3.806 20 0 DHADRM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828233148 601381747 /nfs/dbraw/zinc/38/17/47/601381747.db2.gz KZOXECNMEQLTFV-STQMWFEESA-N -1 0 318.417 3.650 20 0 DHADRM CCOc1cc(F)ccc1NCc1cc(C(=O)[O-])oc1CC ZINC000830049753 601390012 /nfs/dbraw/zinc/39/00/12/601390012.db2.gz PDSXSQHWIIVKFB-UHFFFAOYSA-N -1 0 307.321 3.690 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1OCC(C)C ZINC000833026247 601391567 /nfs/dbraw/zinc/39/15/67/601391567.db2.gz ZBSSDWPTTMATBM-UHFFFAOYSA-N -1 0 303.358 3.933 20 0 DHADRM CCn1nc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1C1CC1 ZINC000830445324 601392938 /nfs/dbraw/zinc/39/29/38/601392938.db2.gz JWESAQNSZMHSDZ-OAHLLOKOSA-N -1 0 319.792 3.672 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000237653735 601393935 /nfs/dbraw/zinc/39/39/35/601393935.db2.gz MGMMNDWHMVFBDN-CXAGYDPISA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1ccc(-c2noc(C3(c4ccccc4)CCC3)n2)cc1 ZINC000833307088 601402868 /nfs/dbraw/zinc/40/28/68/601402868.db2.gz AFRXWXYJRBSRRG-UHFFFAOYSA-N -1 0 320.348 3.905 20 0 DHADRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000320353665 601402901 /nfs/dbraw/zinc/40/29/01/601402901.db2.gz LJXKGZIHUQRIAE-UHFFFAOYSA-N -1 0 308.337 3.761 20 0 DHADRM Cc1ccccc1C1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000832982447 601403673 /nfs/dbraw/zinc/40/36/73/601403673.db2.gz 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C[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccs1 ZINC000739041680 602566473 /nfs/dbraw/zinc/56/64/73/602566473.db2.gz DNDWZRPJWNROIX-MRVPVSSYSA-N -1 0 309.318 3.895 20 0 DHADRM COc1ccc([C@@H](C)C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739897551 602572046 /nfs/dbraw/zinc/57/20/46/602572046.db2.gz XNRYFPIJBPGCJQ-LLVKDONJSA-N -1 0 314.341 3.527 20 0 DHADRM CCC1(C)CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736929422 602599137 /nfs/dbraw/zinc/59/91/37/602599137.db2.gz LDQMRVHOGYJFMU-UHFFFAOYSA-N -1 0 305.378 3.821 20 0 DHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738917143 602602707 /nfs/dbraw/zinc/60/27/07/602602707.db2.gz CCMSLHKZTMSRLG-LBPRGKRZSA-N -1 0 313.357 3.702 20 0 DHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739094284 602642604 /nfs/dbraw/zinc/64/26/04/602642604.db2.gz VMMGXDMPKRTCHQ-FMKPAKJESA-N -1 0 318.417 3.565 20 0 DHADRM Cc1cc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)no1 ZINC000740075609 602646408 /nfs/dbraw/zinc/64/64/08/602646408.db2.gz 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CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)[C@H](C)C(C)C ZINC000739379368 603233153 /nfs/dbraw/zinc/23/31/53/603233153.db2.gz BVFFQXWMOMPDDS-SNVBAGLBSA-N -1 0 312.797 3.937 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000825449183 603239552 /nfs/dbraw/zinc/23/95/52/603239552.db2.gz LITHTTGLNPCLPL-NSHDSACASA-N -1 0 321.446 3.634 20 0 DHADRM Cc1ccc(OC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830400882 603254619 /nfs/dbraw/zinc/25/46/19/603254619.db2.gz NTSMWAWPJCVWHC-XJKSGUPXSA-N -1 0 313.353 3.545 20 0 DHADRM CC(C)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CCC1 ZINC000738834871 603255121 /nfs/dbraw/zinc/25/51/21/603255121.db2.gz NFHNJISZLPPFEQ-MRXNPFEDSA-N -1 0 318.417 3.565 20 0 DHADRM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739268513 603258543 /nfs/dbraw/zinc/25/85/43/603258543.db2.gz TXQDHYVZOGXMOJ-ZYHUDNBSSA-N -1 0 308.353 3.614 20 0 DHADRM Cc1ccccc1NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000740186570 603263032 /nfs/dbraw/zinc/26/30/32/603263032.db2.gz 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/nfs/dbraw/zinc/39/30/80/603393080.db2.gz MTKJNXQYTIYLLO-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc2cccc(F)c2o1 ZINC000740716677 603397051 /nfs/dbraw/zinc/39/70/51/603397051.db2.gz YVEIHFVVWCSMOM-UHFFFAOYSA-N -1 0 314.272 3.914 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000832333092 603408386 /nfs/dbraw/zinc/40/83/86/603408386.db2.gz QILSKEDWSFMOOB-CMPLNLGQSA-N -1 0 321.764 3.684 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)c2cccc(F)c2)n1 ZINC000824219173 603415678 /nfs/dbraw/zinc/41/56/78/603415678.db2.gz RWZDIRYGZYNJQE-GXFFZTMASA-N -1 0 321.352 3.715 20 0 DHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)CCCC1 ZINC000832227707 603416448 /nfs/dbraw/zinc/41/64/48/603416448.db2.gz JBBBBXDCRPOAEA-CHWSQXEVSA-N -1 0 319.405 3.790 20 0 DHADRM O=C([O-])N[C@@H]1CC[C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000832319587 603417891 /nfs/dbraw/zinc/41/78/91/603417891.db2.gz YRRBADCBSVFEOQ-QWHCGFSZSA-N -1 0 323.352 3.794 20 0 DHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)[C@@H](C)C(C)C)C1CC1 ZINC000740073216 603428285 /nfs/dbraw/zinc/42/82/85/603428285.db2.gz MCLXCDBHLLIDAN-ZDUSSCGKSA-N -1 0 318.417 3.550 20 0 DHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826668969 603768581 /nfs/dbraw/zinc/76/85/81/603768581.db2.gz SQKLIKKSTZKYCF-SKDRFNHKSA-N -1 0 309.341 3.616 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000825423514 603811918 /nfs/dbraw/zinc/81/19/18/603811918.db2.gz QJEQDIWWCUEINQ-NEPJUHHUSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C(C)(C)C1 ZINC000826007138 604013145 /nfs/dbraw/zinc/01/31/45/604013145.db2.gz CCPFSXKFGNJCTR-VIFPVBQESA-N -1 0 309.341 3.568 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2O)C1 ZINC000826769729 604029603 /nfs/dbraw/zinc/02/96/03/604029603.db2.gz VPSZWOSNGMBXBV-KRWDZBQOSA-N -1 0 320.389 3.525 20 0 DHADRM CC(C)c1cnc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000824476853 604049932 /nfs/dbraw/zinc/04/99/32/604049932.db2.gz UAAWQBTVLQUIKL-NSHDSACASA-N -1 0 303.362 3.739 20 0 DHADRM CC(C)c1cnc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000824476852 604050074 /nfs/dbraw/zinc/05/00/74/604050074.db2.gz UAAWQBTVLQUIKL-LLVKDONJSA-N -1 0 303.362 3.739 20 0 DHADRM O=C([O-])N1CCCN(Cc2ccncc2Cl)c2ccccc21 ZINC000832015316 604095718 /nfs/dbraw/zinc/09/57/18/604095718.db2.gz LFYLENPRUFWIMH-UHFFFAOYSA-N -1 0 317.776 3.630 20 0 DHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827502826 604125020 /nfs/dbraw/zinc/12/50/20/604125020.db2.gz FLNLSTMQERMWPD-QWHCGFSZSA-N -1 0 323.418 3.572 20 0 DHADRM Cc1ccccc1OC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830585810 604214298 /nfs/dbraw/zinc/21/42/98/604214298.db2.gz FHXKPBVVNQLELO-CZUORRHYSA-N -1 0 313.353 3.545 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(Cl)ccc1C ZINC000161145465 604264477 /nfs/dbraw/zinc/26/44/77/604264477.db2.gz CCCCACHUXCVYTK-UHFFFAOYSA-N -1 0 306.749 3.544 20 0 DHADRM Cc1cccc(C)c1CCNc1nc(Cl)c(C(=O)[O-])s1 ZINC000832964763 604283728 /nfs/dbraw/zinc/28/37/28/604283728.db2.gz QQGUARSPFKBDND-UHFFFAOYSA-N -1 0 310.806 3.766 20 0 DHADRM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826844842 604326857 /nfs/dbraw/zinc/32/68/57/604326857.db2.gz LNPBMJHAETWIDJ-CQSZACIVSA-N -1 0 321.392 3.955 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(C)ccc1Cl ZINC000232224144 604339780 /nfs/dbraw/zinc/33/97/80/604339780.db2.gz PKMNDUMGKDRDNJ-UHFFFAOYSA-N -1 0 306.749 3.544 20 0 DHADRM CC(C)c1nccc(NCc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000824496584 604347161 /nfs/dbraw/zinc/34/71/61/604347161.db2.gz XJBJYKMADHEPEJ-LBPRGKRZSA-N -1 0 314.389 3.541 20 0 DHADRM CCC(=CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])CC ZINC000828549234 604380003 /nfs/dbraw/zinc/38/00/03/604380003.db2.gz KANNBJIXUMJEJE-INIZCTEOSA-N -1 0 303.402 3.701 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000826081318 604391655 /nfs/dbraw/zinc/39/16/55/604391655.db2.gz NYACMVJEOSFLBS-OAHLLOKOSA-N -1 0 319.376 3.752 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000826631643 604429492 /nfs/dbraw/zinc/42/94/92/604429492.db2.gz LREOCMWNQBPBNG-HNNXBMFYSA-N -1 0 320.389 3.843 20 0 DHADRM CC1(C)C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000828056802 604451454 /nfs/dbraw/zinc/45/14/54/604451454.db2.gz WWFMPXMPUABISZ-INIZCTEOSA-N -1 0 324.380 3.929 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000819932409 604463096 /nfs/dbraw/zinc/46/30/96/604463096.db2.gz ASQXOOGOZBIHNW-UHFFFAOYSA-N -1 0 309.431 3.564 20 0 DHADRM C[C@@H](OC(=O)CCCSC(C)(C)C)c1ccc(C(=O)[O-])o1 ZINC000833527460 604470219 /nfs/dbraw/zinc/47/02/19/604470219.db2.gz DALCPVVGZDVPIK-SNVBAGLBSA-N -1 0 314.403 3.894 20 0 DHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827948301 604492429 /nfs/dbraw/zinc/49/24/29/604492429.db2.gz COKPTTXEFCLKSC-SECBINFHSA-N -1 0 322.361 3.810 20 0 DHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832980414 604493291 /nfs/dbraw/zinc/49/32/91/604493291.db2.gz DXNUGXMTZVOWSG-LLVKDONJSA-N -1 0 318.398 3.507 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832960558 604493348 /nfs/dbraw/zinc/49/33/48/604493348.db2.gz PWNHDOSSOIFSEB-ZDUSSCGKSA-N -1 0 316.382 3.564 20 0 DHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000833532274 604494476 /nfs/dbraw/zinc/49/44/76/604494476.db2.gz PSFGIDKXXXZQNJ-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM Cc1cccc(C2(C(=O)OC3CCC(CC(=O)[O-])CC3)CC2)c1 ZINC000833752700 604496216 /nfs/dbraw/zinc/49/62/16/604496216.db2.gz SKAANUYBZWACFP-UHFFFAOYSA-N -1 0 316.397 3.603 20 0 DHADRM CCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829216240 604517722 /nfs/dbraw/zinc/51/77/22/604517722.db2.gz KZZSJCOPTSWMJO-ZFWWWQNUSA-N -1 0 320.433 3.669 20 0 DHADRM CSc1cccc(NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832790603 604519283 /nfs/dbraw/zinc/51/92/83/604519283.db2.gz NZQMBNKQDXLKNV-UHFFFAOYSA-N -1 0 308.384 3.812 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000828951805 604523726 /nfs/dbraw/zinc/52/37/26/604523726.db2.gz SAHJHSVGBURXCR-LBPRGKRZSA-N -1 0 304.371 3.719 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826681565 604527028 /nfs/dbraw/zinc/52/70/28/604527028.db2.gz QCUMYLAMDJUBSO-UKRRQHHQSA-N -1 0 320.433 3.524 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)C1 ZINC000263058177 604539436 /nfs/dbraw/zinc/53/94/36/604539436.db2.gz GFBFZRIHKYPNFD-LSDHHAIUSA-N -1 0 303.402 3.535 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)C1 ZINC000649353312 604541181 /nfs/dbraw/zinc/54/11/81/604541181.db2.gz AKCJXBCYNZZHLV-VXGBXAGGSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(C)o1 ZINC000833745949 604550016 /nfs/dbraw/zinc/55/00/16/604550016.db2.gz YVWZXEFECNCYGR-UHFFFAOYSA-N -1 0 324.380 3.634 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000828870827 604560205 /nfs/dbraw/zinc/56/02/05/604560205.db2.gz WOOLVQHLGUYDBX-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824434575 604564142 /nfs/dbraw/zinc/56/41/42/604564142.db2.gz KXPJQNVBHFXKSZ-NWDGAFQWSA-N -1 0 322.430 3.562 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@@H]1C ZINC000147475335 604586937 /nfs/dbraw/zinc/58/69/37/604586937.db2.gz DPYUTYHRVMNPNT-NXEZZACHSA-N -1 0 310.781 3.691 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833385725 604587874 /nfs/dbraw/zinc/58/78/74/604587874.db2.gz IYBQETCYVBEUFI-CSKARUKUSA-N -1 0 320.728 3.778 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)OCc1occc1C(=O)[O-] ZINC000833387307 604587916 /nfs/dbraw/zinc/58/79/16/604587916.db2.gz YEBKQVLNUMGPPE-NTMALXAHSA-N -1 0 320.728 3.778 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@H]1C ZINC000390891731 604589603 /nfs/dbraw/zinc/58/96/03/604589603.db2.gz CDXMWRXUZWHYEC-OLZOCXBDSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)c2cccs2)oc1C(=O)[O-] ZINC000832873845 604589994 /nfs/dbraw/zinc/58/99/94/604589994.db2.gz INEXTNREEQYPSF-ZJUUUORDSA-N -1 0 308.355 3.756 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833468432 604599187 /nfs/dbraw/zinc/59/91/87/604599187.db2.gz GNHYRFIESHKJNU-GFCCVEGCSA-N -1 0 324.446 3.762 20 0 DHADRM CS[C@H]1CCCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000832747701 604621145 /nfs/dbraw/zinc/62/11/45/604621145.db2.gz ILECJGKBJXHZBK-ZDUSSCGKSA-N -1 0 323.418 3.526 20 0 DHADRM CCn1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833681783 604625694 /nfs/dbraw/zinc/62/56/94/604625694.db2.gz GFISSNOPHJMBPF-UHFFFAOYSA-N -1 0 323.348 3.716 20 0 DHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OC(F)F)cc1 ZINC000833524169 604625672 /nfs/dbraw/zinc/62/56/72/604625672.db2.gz BWAXEJDNVOAJHB-SECBINFHSA-N -1 0 308.284 3.554 20 0 DHADRM C[C@@H]1C[C@@H]1c1ccc(CN(c2cccc(C(=O)[O-])n2)C2CC2)o1 ZINC000833605745 604625867 /nfs/dbraw/zinc/62/58/67/604625867.db2.gz RPXDYKROXGKTDP-RISCZKNCSA-N -1 0 312.369 3.665 20 0 DHADRM CCc1ccccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000322918538 604638590 /nfs/dbraw/zinc/63/85/90/604638590.db2.gz LJRUNCTWSKIMRC-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CN(C(=O)[O-])c1ccc(NCc2cccc(-n3cccn3)c2)cc1 ZINC000830519986 604645876 /nfs/dbraw/zinc/64/58/76/604645876.db2.gz YYUYPYBIIIDQNP-UHFFFAOYSA-N -1 0 322.368 3.599 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)NC1CCCCCCC1 ZINC000262261313 604664217 /nfs/dbraw/zinc/66/42/17/604664217.db2.gz WVOSNBFGOADRNZ-UHFFFAOYSA-N -1 0 303.402 3.547 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000761677696 604678085 /nfs/dbraw/zinc/67/80/85/604678085.db2.gz HTLVKNPDCYDTIM-OUKQBFOZSA-N -1 0 323.820 3.895 20 0 DHADRM CCCOc1ccc([C@H](C)Nc2cccc(C(=O)[O-])n2)cc1 ZINC000833652176 604711309 /nfs/dbraw/zinc/71/13/09/604711309.db2.gz OSWBZBUACOIGQA-LBPRGKRZSA-N -1 0 300.358 3.742 20 0 DHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccc(OC(F)F)c1 ZINC000833524667 604711620 /nfs/dbraw/zinc/71/16/20/604711620.db2.gz HVGIZNVFSNUMTF-SECBINFHSA-N -1 0 308.284 3.554 20 0 DHADRM CN(Cc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)[O-])n1 ZINC000833694601 604712099 /nfs/dbraw/zinc/71/20/99/604712099.db2.gz OTBNRXKJMBOANZ-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000828765231 604715214 /nfs/dbraw/zinc/71/52/14/604715214.db2.gz ZQTNTNOEIXPLLB-CYBMUJFWSA-N -1 0 303.402 3.670 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829208930 604715231 /nfs/dbraw/zinc/71/52/31/604715231.db2.gz QAAWBQLLGYJWGK-SWLSCSKDSA-N -1 0 304.390 3.817 20 0 DHADRM C/C(=C\C(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC000825716459 604724201 /nfs/dbraw/zinc/72/42/01/604724201.db2.gz GUEQJRLPJHQFTG-ZRDIBKRKSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1cc2ccccc2nc1N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000391179089 604773617 /nfs/dbraw/zinc/77/36/17/604773617.db2.gz OWIGUJPRLQWEEQ-UHFFFAOYSA-N -1 0 304.349 3.762 20 0 DHADRM O=C([O-])c1occc1CNc1ccccc1OCC(F)(F)F ZINC000833785231 604778352 /nfs/dbraw/zinc/77/83/52/604778352.db2.gz 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CSCc1cnc(CNc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000578858317 953703282 /nfs/dbraw/zinc/70/32/82/953703282.db2.gz MJQZGNFRFAADTA-UHFFFAOYSA-N -1 0 308.428 3.625 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001602961266 971951640 /nfs/dbraw/zinc/95/16/40/971951640.db2.gz UHYHLZCFCDPFOE-ZFWWWQNUSA-N -1 0 303.402 3.520 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001589303091 953706033 /nfs/dbraw/zinc/70/60/33/953706033.db2.gz OFFXZNRDHOFHCS-CXAGYDPISA-N -1 0 313.397 3.579 20 0 DHADRM O=C(Nc1cccc(C2CCCCC2)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594808761 953797227 /nfs/dbraw/zinc/79/72/27/953797227.db2.gz CKQZHIPKMIKNQH-KOMQPUFPSA-N -1 0 316.401 3.719 20 0 DHADRM Cc1cc(C)c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000643425454 953901549 /nfs/dbraw/zinc/90/15/49/953901549.db2.gz YZFNHHAYADDWGV-PWSUYJOCSA-N -1 0 324.808 3.531 20 0 DHADRM CN(C(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1CC(C)(C)CC(C)(C)C1 ZINC001593676646 953935280 /nfs/dbraw/zinc/93/52/80/953935280.db2.gz SFHLDVCXRVDLDK-GOSISDBHSA-N -1 0 309.450 3.551 20 0 DHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001593677924 953944581 /nfs/dbraw/zinc/94/45/81/953944581.db2.gz WMNFAXPAOMCYKE-HZPDHXFCSA-N -1 0 317.429 3.601 20 0 DHADRM C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000652065181 954035874 /nfs/dbraw/zinc/03/58/74/954035874.db2.gz OXZHVMMGMQTBNE-GFCCVEGCSA-N -1 0 323.820 3.547 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC001602974422 971982702 /nfs/dbraw/zinc/98/27/02/971982702.db2.gz IDZFGUUKUFOXPY-INIZCTEOSA-N -1 0 314.337 3.741 20 0 DHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)CCCCC(=O)[O-] ZINC000652121833 954079990 /nfs/dbraw/zinc/07/99/90/954079990.db2.gz YPVLEVIWBKDZGY-UHFFFAOYSA-N -1 0 317.385 3.653 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC3(C)C)c2C(=O)[O-])C1 ZINC001589360807 954154163 /nfs/dbraw/zinc/15/41/63/954154163.db2.gz FAIYRYGTBFTOES-PSASIEDQSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655877986 954262445 /nfs/dbraw/zinc/26/24/45/954262445.db2.gz BDBVLMGZJILZDF-CBBWQLFWSA-N -1 0 324.465 3.556 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000656474669 954301224 /nfs/dbraw/zinc/30/12/24/954301224.db2.gz FUJSQKRJBADBJB-HNNXBMFYSA-N -1 0 317.772 3.573 20 0 DHADRM O=C([O-])CC1(NC(=O)C2CC3(C2)CCCCC3)CCCCC1 ZINC000659126181 954308959 /nfs/dbraw/zinc/30/89/59/954308959.db2.gz DXEKNJSQNUCRED-UHFFFAOYSA-N -1 0 307.434 3.641 20 0 DHADRM CCC[C@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659134289 954309885 /nfs/dbraw/zinc/30/98/85/954309885.db2.gz ORIZWVGCLLEXAD-AWEZNQCLSA-N -1 0 323.820 3.595 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001594871076 954355953 /nfs/dbraw/zinc/35/59/53/954355953.db2.gz NIRBSJULKYVSMI-UHFFFAOYSA-N -1 0 315.291 3.679 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC000659762917 954363968 /nfs/dbraw/zinc/36/39/68/954363968.db2.gz AWWWDKHNTOGLCB-CXAGYDPISA-N -1 0 315.413 3.527 20 0 DHADRM O=C([O-])C1(C(=O)OCCCc2cccc3ccccc32)CC=CC1 ZINC001594875974 954376301 /nfs/dbraw/zinc/37/63/01/954376301.db2.gz IMVMEUOFJSFLQE-UHFFFAOYSA-N -1 0 324.376 3.737 20 0 DHADRM O=C([O-])[C@]1(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC=CCC1 ZINC001594876360 954378022 /nfs/dbraw/zinc/37/80/22/954378022.db2.gz QFTJSKPOFUAPMO-BORJPKMPSA-N -1 0 306.402 3.700 20 0 DHADRM O=C([O-])C1(C(=O)OCc2cc(Cl)sc2Cl)CC=CC1 ZINC001594876909 954383980 /nfs/dbraw/zinc/38/39/80/954383980.db2.gz RSMOIVWEFGCDDZ-UHFFFAOYSA-N -1 0 321.181 3.519 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3ncsc3c2)CCCCCC1 ZINC000663040439 954414166 /nfs/dbraw/zinc/41/41/66/954414166.db2.gz PBYXMZMHWTYFBX-UHFFFAOYSA-N -1 0 318.398 3.660 20 0 DHADRM O=C([O-])C1(c2noc(-c3c(Cl)oc4ccccc43)n2)CCC1 ZINC001594884458 954450378 /nfs/dbraw/zinc/45/03/78/954450378.db2.gz CHQUMVHCLBCCGS-UHFFFAOYSA-N -1 0 318.716 3.643 20 0 DHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593759334 954469318 /nfs/dbraw/zinc/46/93/18/954469318.db2.gz GKCOAWFQYONZOO-OAHLLOKOSA-N -1 0 319.445 3.689 20 0 DHADRM O=C([O-])C1(c2noc([C@@H]3CCC[C@@H]3c3ccccc3)n2)CCC1 ZINC001594886609 954471159 /nfs/dbraw/zinc/47/11/59/954471159.db2.gz BOOWZIPYNGTYEQ-ZIAGYGMSSA-N -1 0 312.369 3.627 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccccc1 ZINC000666517295 954548263 /nfs/dbraw/zinc/54/82/63/954548263.db2.gz RKMVQIOHORWOES-HNNXBMFYSA-N -1 0 320.433 3.718 20 0 DHADRM CC/C(=C\C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001589419431 954583518 /nfs/dbraw/zinc/58/35/18/954583518.db2.gz CJOVFUANEYWDIF-RUMSDORHSA-N -1 0 321.804 3.599 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001589420915 954604551 /nfs/dbraw/zinc/60/45/51/954604551.db2.gz VONQPYJASOTBLS-MSNYOWOLSA-N -1 0 324.465 3.511 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001589420917 954604769 /nfs/dbraw/zinc/60/47/69/954604769.db2.gz VONQPYJASOTBLS-SWJNODNISA-N -1 0 324.465 3.511 20 0 DHADRM CC[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001589429004 954640696 /nfs/dbraw/zinc/64/06/96/954640696.db2.gz CHTDTYDTFRSKTO-KOHJWAIASA-N -1 0 304.390 3.571 20 0 DHADRM CC[C@@H](C(=O)Nc1ncccc1C(=O)[O-])C1CCC(C)CC1 ZINC001589431513 954650514 /nfs/dbraw/zinc/65/05/14/954650514.db2.gz YIVRQVHMNHPNMX-WXRRBKDZSA-N -1 0 304.390 3.571 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001589451251 954801907 /nfs/dbraw/zinc/80/19/07/954801907.db2.gz FVNSJNHHDFYLIL-UHFFFAOYSA-N -1 0 305.418 3.605 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589456500 954831012 /nfs/dbraw/zinc/83/10/12/954831012.db2.gz MHJCKWGZCBMARH-RDTXWAMCSA-N -1 0 305.418 3.709 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001603002458 972045860 /nfs/dbraw/zinc/04/58/60/972045860.db2.gz RZRBWLYKKLBWJQ-OCCSQVGLSA-N -1 0 305.374 3.636 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])cc2)n1 ZINC001589463508 954874764 /nfs/dbraw/zinc/87/47/64/954874764.db2.gz FMWIFTMTNYUIHJ-GFCCVEGCSA-N -1 0 300.358 3.569 20 0 DHADRM CC[C@H](C)Oc1cc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc(C)n1 ZINC001589465229 954899599 /nfs/dbraw/zinc/89/95/99/954899599.db2.gz ZIYWYPGRSBYDTH-WCQYABFASA-N -1 0 323.437 3.654 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001589480919 954970283 /nfs/dbraw/zinc/97/02/83/954970283.db2.gz AJCIKZLZUUOZRX-CQSZACIVSA-N -1 0 308.349 3.637 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(-c2cccs2)o1)C(=O)[O-] ZINC001589498002 955025031 /nfs/dbraw/zinc/02/50/31/955025031.db2.gz HTPSEEMYPDNCQV-UHFFFAOYSA-N -1 0 321.398 3.629 20 0 DHADRM CCC(CC)N(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(C)c1 ZINC001589509344 955041358 /nfs/dbraw/zinc/04/13/58/955041358.db2.gz NTIRSGJVGDEVRB-HZPDHXFCSA-N -1 0 303.402 3.627 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC001589546120 955200928 /nfs/dbraw/zinc/20/09/28/955200928.db2.gz PTMSFCQFYWMLDH-LLVKDONJSA-N -1 0 318.398 3.647 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)CCCC(=O)[O-] ZINC000753976344 955263005 /nfs/dbraw/zinc/26/30/05/955263005.db2.gz LRXMVKKKZHMKEY-UHFFFAOYSA-N -1 0 301.795 3.645 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589014265 955418152 /nfs/dbraw/zinc/41/81/52/955418152.db2.gz OCUZKBJSDFLGAW-FZKQIMNGSA-N -1 0 305.418 3.565 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589014633 955423287 /nfs/dbraw/zinc/42/32/87/955423287.db2.gz RSMGKAQNCSFICH-GFCCVEGCSA-N -1 0 319.405 3.650 20 0 DHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000844246435 955660574 /nfs/dbraw/zinc/66/05/74/955660574.db2.gz VVBCYMFBQGWVLR-UHFFFAOYSA-N -1 0 321.392 3.742 20 0 DHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000844246355 955660645 /nfs/dbraw/zinc/66/06/45/955660645.db2.gz QZBIXENOVHFKRV-UHFFFAOYSA-N -1 0 303.402 3.603 20 0 DHADRM Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1C(=O)[O-] ZINC000387314818 972117308 /nfs/dbraw/zinc/11/73/08/972117308.db2.gz RVDITWIFPXGDTG-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1ccccc1C(C)C)CC(=O)[O-] ZINC000851609578 955788217 /nfs/dbraw/zinc/78/82/17/955788217.db2.gz WZMVKIPHCGFSIJ-AWEZNQCLSA-N -1 0 305.418 3.677 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000852945143 955861347 /nfs/dbraw/zinc/86/13/47/955861347.db2.gz NSGGQZGLNIROSL-JKSUJKDBSA-N -1 0 317.429 3.578 20 0 DHADRM C[C@H](NC(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001589108211 956040263 /nfs/dbraw/zinc/04/02/63/956040263.db2.gz GKTPLNXUYBEVNZ-OLZOCXBDSA-N -1 0 312.369 3.699 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1sccc1C(F)F)CC(=O)[O-] ZINC000872732561 956062384 /nfs/dbraw/zinc/06/23/84/956062384.db2.gz XIFWRYNGOZUYAV-VIFPVBQESA-N -1 0 319.373 3.553 20 0 DHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC001589115400 956091889 /nfs/dbraw/zinc/09/18/89/956091889.db2.gz VETPWSDNKVFVBS-VIFPVBQESA-N -1 0 321.735 3.668 20 0 DHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC3(CCCCC3)CC2)co1 ZINC000901591930 956359217 /nfs/dbraw/zinc/35/92/17/956359217.db2.gz KCNQZSJGYOFFEV-PLNGDYQASA-N -1 0 317.385 3.564 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(C(=O)[O-])CCC1)CCC2 ZINC001603106974 972182093 /nfs/dbraw/zinc/18/20/93/972182093.db2.gz LRESQFAVNUWNQN-MRXNPFEDSA-N -1 0 315.413 3.559 20 0 DHADRM CC(C)c1ccc(CCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001603107016 972182278 /nfs/dbraw/zinc/18/22/78/972182278.db2.gz PTFFIUPIGBUSNC-RHSMWYFYSA-N -1 0 317.429 3.597 20 0 DHADRM C[C@H](S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001589168700 956446108 /nfs/dbraw/zinc/44/61/08/956446108.db2.gz MHEXDOTXHRPINV-BQBZGAKWSA-N -1 0 322.213 3.527 20 0 DHADRM CC(C)[C@@H](S[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC001589169198 956454729 /nfs/dbraw/zinc/45/47/29/956454729.db2.gz WPNJUYBCLIFMGR-BXKDBHETSA-N -1 0 315.822 3.509 20 0 DHADRM C[C@@H](S[C@H](C)c1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC001589169229 956455937 /nfs/dbraw/zinc/45/59/37/956455937.db2.gz 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/nfs/dbraw/zinc/64/28/41/956642841.db2.gz LUNKRKNXNDEAPB-FNORWQNLSA-N -1 0 324.691 3.527 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC001594679332 956690177 /nfs/dbraw/zinc/69/01/77/956690177.db2.gz CJQUIENFHXJAAF-INIZCTEOSA-N -1 0 323.392 3.511 20 0 DHADRM O=C([O-])C1(NC(=O)CCCCc2ccc(Cl)cc2)CCCC1 ZINC001594682773 956702052 /nfs/dbraw/zinc/70/20/52/956702052.db2.gz UYZKNVGMSBOELI-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM CC1(C)CC(C)(C)c2cc(NC(=O)[C@H](C(=O)[O-])C3CC3)ccc21 ZINC001589212987 956710368 /nfs/dbraw/zinc/71/03/68/956710368.db2.gz AQMDMEOYRHYPHI-OAHLLOKOSA-N -1 0 315.413 3.695 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000902373732 956713825 /nfs/dbraw/zinc/71/38/25/956713825.db2.gz UATPKQRSEIKQSE-FUHWJXTLSA-N -1 0 323.392 3.585 20 0 DHADRM Cc1ccc([C@@H]2CCN(C(=O)CCCCC(=O)[O-])C2(C)C)cc1 ZINC000902688817 956769866 /nfs/dbraw/zinc/76/98/66/956769866.db2.gz KWWYNDCDDKFPOM-INIZCTEOSA-N -1 0 317.429 3.735 20 0 DHADRM C[C@](NC(=O)CC1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001589220612 956772154 /nfs/dbraw/zinc/77/21/54/956772154.db2.gz CPOOCWSPAZNFOU-LJQANCHMSA-N -1 0 317.429 3.709 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000001508314 956862588 /nfs/dbraw/zinc/86/25/88/956862588.db2.gz SIKVQXAHQQOGHJ-UHFFFAOYSA-N -1 0 322.364 3.828 20 0 DHADRM COc1ccc(C(=O)[O-])c(OCc2c(F)cccc2Cl)c1 ZINC000011888995 956898322 /nfs/dbraw/zinc/89/83/22/956898322.db2.gz GIMWYGFZOFGUKW-UHFFFAOYSA-N -1 0 310.708 3.765 20 0 DHADRM C[C@@H](CC(=O)[O-])Nc1nc(-c2ccccc2)nc2ccccc21 ZINC001603133829 972224240 /nfs/dbraw/zinc/22/42/40/972224240.db2.gz XEKYXRCFZWHSIO-LBPRGKRZSA-N -1 0 307.353 3.572 20 0 DHADRM CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(=O)[O-] ZINC000012020789 956900955 /nfs/dbraw/zinc/90/09/55/956900955.db2.gz UXRHQANTNWUGHT-UHFFFAOYSA-N -1 0 324.163 3.968 20 0 DHADRM CCCCNc1nnc(SCc2cccc(C(=O)[O-])c2)s1 ZINC000013061339 956919989 /nfs/dbraw/zinc/91/99/89/956919989.db2.gz HAPSEGYZPIXOJC-UHFFFAOYSA-N -1 0 323.443 3.741 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3ccccc3C(=O)[O-])coc2c1C ZINC000013166054 956947194 /nfs/dbraw/zinc/94/71/94/956947194.db2.gz LKFKNFCXHTZMDL-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166963 956948262 /nfs/dbraw/zinc/94/82/62/956948262.db2.gz ORVDWEKPNFHHCG-UHFFFAOYSA-N -1 0 313.353 3.562 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013167642 956948372 /nfs/dbraw/zinc/94/83/72/956948372.db2.gz DZAIYQRXTXUZPJ-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCSc1ccccc1 ZINC000013169775 956953001 /nfs/dbraw/zinc/95/30/01/956953001.db2.gz KHRFTXFQWGOVNO-UHFFFAOYSA-N -1 0 315.394 3.814 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2C)cc1 ZINC000013179019 956962233 /nfs/dbraw/zinc/96/22/33/956962233.db2.gz SFNYZXTUACILQC-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013179078 956962775 /nfs/dbraw/zinc/96/27/75/956962775.db2.gz 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O=C([O-])CCCCOc1ccc(Br)cc1Cl ZINC000020474439 957144772 /nfs/dbraw/zinc/14/47/72/957144772.db2.gz AVXXKDGFIHVPQY-UHFFFAOYSA-N -1 0 307.571 3.736 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000021514503 957150428 /nfs/dbraw/zinc/15/04/28/957150428.db2.gz BTNXAAHTFZTICX-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000035135344 957199593 /nfs/dbraw/zinc/19/95/93/957199593.db2.gz ZVCLACWVEMUVPO-JTQLQIEISA-N -1 0 303.745 3.529 20 0 DHADRM Cc1ccc2nc(NC(=O)c3ccc(C(=O)[O-])s3)sc2c1 ZINC000035185605 957199960 /nfs/dbraw/zinc/19/99/60/957199960.db2.gz FQOGXRZYQUWODS-UHFFFAOYSA-N -1 0 318.379 3.617 20 0 DHADRM O=C([O-])c1ccc(SCc2cn3cc(Cl)ccc3n2)cc1 ZINC000036970408 957249953 /nfs/dbraw/zinc/24/99/53/957249953.db2.gz FRMZVQHPPSZQSI-UHFFFAOYSA-N -1 0 318.785 3.978 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(CCl)c2)c1 ZINC000037012998 957259052 /nfs/dbraw/zinc/25/90/52/957259052.db2.gz VMKBKVTUJLILEA-UHFFFAOYSA-N -1 0 307.708 3.515 20 0 DHADRM O=C([O-])c1cc(NC(=O)Cc2ccccc2Cl)ccc1Cl ZINC000037403866 957275741 /nfs/dbraw/zinc/27/57/41/957275741.db2.gz STFXNCQYQMANGD-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])sc1C ZINC000037452081 957298273 /nfs/dbraw/zinc/29/82/73/957298273.db2.gz DBAXCKUAKLMHHN-UHFFFAOYSA-N -1 0 309.774 3.969 20 0 DHADRM CCCCSCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000037452096 957298483 /nfs/dbraw/zinc/29/84/83/957298483.db2.gz SURLCGDLTVUROX-UHFFFAOYSA-N -1 0 301.795 3.510 20 0 DHADRM CCCc1sc(C(=O)N(CC(=O)[O-])[C@H](C)CC)cc1CC ZINC000037590471 957311581 /nfs/dbraw/zinc/31/15/81/957311581.db2.gz CAYYEASWGCDECG-LLVKDONJSA-N -1 0 311.447 3.588 20 0 DHADRM Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000037641982 957317585 /nfs/dbraw/zinc/31/75/85/957317585.db2.gz LUIKSIBYJRLLBP-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM O=C([O-])c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000039026186 957358421 /nfs/dbraw/zinc/35/84/21/957358421.db2.gz NXKBATBTCPKEMT-UHFFFAOYSA-N -1 0 306.317 3.686 20 0 DHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000040552531 957374947 /nfs/dbraw/zinc/37/49/47/957374947.db2.gz NXRAJMIYEGUPKM-AOOOYVTPSA-N -1 0 310.781 3.548 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040561472 957375815 /nfs/dbraw/zinc/37/58/15/957375815.db2.gz QLXDWFNMXLWJSN-NSHDSACASA-N -1 0 310.781 3.835 20 0 DHADRM O=C([O-])c1ccc(Oc2ncnc3ccsc32)c(Cl)c1 ZINC000048803815 957461047 /nfs/dbraw/zinc/46/10/47/957461047.db2.gz JXDNGVJBNLYPGA-UHFFFAOYSA-N -1 0 306.730 3.835 20 0 DHADRM CN(Cc1cccc(Cl)c1)c1ncc(C(=O)[O-])cc1Cl ZINC000048877958 957468004 /nfs/dbraw/zinc/46/80/04/957468004.db2.gz BZSZFSXLRXFUPL-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3cccc(C(=O)[O-])c3)CCC2)c1 ZINC000390314361 972274676 /nfs/dbraw/zinc/27/46/76/972274676.db2.gz WFRYBEHYVWWEKD-UHFFFAOYSA-N -1 0 309.365 3.754 20 0 DHADRM Cc1cccc(NC(=O)CSCc2ccccc2C(=O)[O-])c1 ZINC000058235853 957557137 /nfs/dbraw/zinc/55/71/37/957557137.db2.gz DMNBOYGPUCTNQD-UHFFFAOYSA-N -1 0 315.394 3.565 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccsc1 ZINC000061369789 957579428 /nfs/dbraw/zinc/57/94/28/957579428.db2.gz FNPQDZMJHAAYQV-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000061834231 957588106 /nfs/dbraw/zinc/58/81/06/957588106.db2.gz VQWRHVISUBISSQ-IUCAKERBSA-N -1 0 318.200 3.672 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccccc1Cl ZINC000066143362 957640833 /nfs/dbraw/zinc/64/08/33/957640833.db2.gz ALFJMBLJVLSXAS-UHFFFAOYSA-N -1 0 311.120 3.911 20 0 DHADRM O=C([O-])c1ccccc1OC(=O)CCc1ccccc1Cl ZINC000066144091 957641543 /nfs/dbraw/zinc/64/15/43/957641543.db2.gz DRQWPPAIPMBTLZ-UHFFFAOYSA-N -1 0 304.729 3.576 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC001594283448 957761283 /nfs/dbraw/zinc/76/12/83/957761283.db2.gz DXYQLXCPYQOIAP-HNNXBMFYSA-N -1 0 303.402 3.592 20 0 DHADRM C/C(=C\C(=O)[O-])COc1ccc(Br)cc1Cl ZINC000082603856 957795396 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CC[C@@]1(C(=O)[O-])CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001358238275 958203296 /nfs/dbraw/zinc/20/32/96/958203296.db2.gz NSHGUQRFUJAZMO-FHHGHWCOSA-N -1 0 315.413 3.502 20 0 DHADRM CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432263 958245474 /nfs/dbraw/zinc/24/54/74/958245474.db2.gz WUPIDUTUIZRSSP-UHFFFAOYSA-N -1 0 303.280 3.778 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1Cl ZINC001594347765 958331068 /nfs/dbraw/zinc/33/10/68/958331068.db2.gz TZRFHGBEYGKHMJ-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC001594363354 958473874 /nfs/dbraw/zinc/47/38/74/958473874.db2.gz QHXUQTPNCSEYNF-UHFFFAOYSA-N -1 0 317.772 3.552 20 0 DHADRM C=COc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001588474978 958560003 /nfs/dbraw/zinc/56/00/03/958560003.db2.gz QQLZTKYXJMQJIZ-AWEZNQCLSA-N -1 0 320.389 3.610 20 0 DHADRM C/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588479706 958578924 /nfs/dbraw/zinc/57/89/24/958578924.db2.gz ATANMZOLUOLUOF-UPTIQUDWSA-N -1 0 323.392 3.515 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1cccs1 ZINC001588480579 958589947 /nfs/dbraw/zinc/58/99/47/958589947.db2.gz RCBKQRBUODMVEI-WEHUKYGOSA-N -1 0 309.431 3.547 20 0 DHADRM Cc1ccc2c(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])csc2c1 ZINC001594381602 958631302 /nfs/dbraw/zinc/63/13/02/958631302.db2.gz QACAQQZXXHVWMV-BXUZGUMPSA-N -1 0 317.410 3.678 20 0 DHADRM CCC(C)(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128141043 958636377 /nfs/dbraw/zinc/63/63/77/958636377.db2.gz HDJGOYWZSWJQSI-UHFFFAOYSA-N -1 0 314.179 3.522 20 0 DHADRM Cc1ccc2c(c1)[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)CCC2 ZINC001594382209 958644439 /nfs/dbraw/zinc/64/44/39/958644439.db2.gz ROEBEHAFQFYLPW-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1ccc2snc(C(=O)Nc3ccccc3C(=O)[O-])c2c1 ZINC001594386209 958671554 /nfs/dbraw/zinc/67/15/54/958671554.db2.gz PRIFYXROJCNRLS-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCc1ccc(F)cc1F ZINC001594388535 958696816 /nfs/dbraw/zinc/69/68/16/958696816.db2.gz YRCZZHUQVADBGA-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001573395777 958715828 /nfs/dbraw/zinc/71/58/28/958715828.db2.gz OQNADIDCBBXYMP-CVEARBPZSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1nc(C(C)(C)C)cs1 ZINC001594390860 958716027 /nfs/dbraw/zinc/71/60/27/958716027.db2.gz HRGVIVJWKFDZKL-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cc2ccccc2o1 ZINC001594390799 958716050 /nfs/dbraw/zinc/71/60/50/958716050.db2.gz DHXWUSDDNJEDMU-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573424489 958786159 /nfs/dbraw/zinc/78/61/59/958786159.db2.gz LKVQCCQXDTTXKN-HNNXBMFYSA-N -1 0 309.381 3.674 20 0 DHADRM Cc1cccc([C@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC001594397896 958789646 /nfs/dbraw/zinc/78/96/46/958789646.db2.gz OESKMLUDRGFYCJ-HNNXBMFYSA-N -1 0 318.442 3.665 20 0 DHADRM Cc1cccc(C)c1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594400518 958853501 /nfs/dbraw/zinc/85/35/01/958853501.db2.gz JFLOYNHLPFEBNA-CYBMUJFWSA-N -1 0 306.406 3.704 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001573463050 958926206 /nfs/dbraw/zinc/92/62/06/958926206.db2.gz WUOWASRASIXOPO-IZZDOVSWSA-N -1 0 324.380 3.729 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594410973 958947464 /nfs/dbraw/zinc/94/74/64/958947464.db2.gz GYDFCVSFIWFYIM-QWHCGFSZSA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)(CCNC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001573474376 958952119 /nfs/dbraw/zinc/95/21/19/958952119.db2.gz SIVHSAVCMIAVIE-UHFFFAOYSA-N -1 0 323.439 3.707 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594411595 958954607 /nfs/dbraw/zinc/95/46/07/958954607.db2.gz ZTLXPBQBXSODOK-TZMCWYRMSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594411592 958955499 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CC(C)[C@@H](C(=O)[O-])C(=O)O[C@H]1CCCc2ccc(Cl)cc21 ZINC001573490587 959019866 /nfs/dbraw/zinc/01/98/66/959019866.db2.gz YIEBJDMALQVTPB-KBPBESRZSA-N -1 0 310.777 3.617 20 0 DHADRM Cc1ccccc1C[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594417721 959021284 /nfs/dbraw/zinc/02/12/84/959021284.db2.gz QERCXPSGSIBMRT-CQSZACIVSA-N -1 0 312.365 3.615 20 0 DHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594417705 959021859 /nfs/dbraw/zinc/02/18/59/959021859.db2.gz PHTXTLQMBKATLE-GOEBONIOSA-N -1 0 319.445 3.569 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588551995 959029830 /nfs/dbraw/zinc/02/98/30/959029830.db2.gz NWAWMEKYVKFEQL-MQLXINIDSA-N -1 0 311.466 3.556 20 0 DHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594418698 959040445 /nfs/dbraw/zinc/04/04/45/959040445.db2.gz HCKLZANNTVCCBM-PRWOLLLXSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1cccn2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc12 ZINC001594421024 959068667 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CC(C)[C@@H]1C[C@@H](OC(=O)[C@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001573558856 959268150 /nfs/dbraw/zinc/26/81/50/959268150.db2.gz VDZGISZPLVITER-XHSDSOJGSA-N -1 0 302.370 3.525 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594210547 959286275 /nfs/dbraw/zinc/28/62/75/959286275.db2.gz XLVSPAVTKHQRMT-YVEFUNNKSA-N -1 0 321.804 3.671 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NC[C@H](c2ccccc2)C2CC2)c1 ZINC001605757700 972422486 /nfs/dbraw/zinc/42/24/86/972422486.db2.gz VVZDKBDSGAUJNX-QGZVFWFLSA-N -1 0 324.380 3.700 20 0 DHADRM O=C([O-])CCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000168980654 959395719 /nfs/dbraw/zinc/39/57/19/959395719.db2.gz AQYKVJIXEOAPFC-UHFFFAOYSA-N -1 0 309.671 3.552 20 0 DHADRM C[C@@H](C(=O)[O-])c1noc(-c2cc3c(ccc4ccccc34)[nH]2)n1 ZINC001588600206 959416352 /nfs/dbraw/zinc/41/63/52/959416352.db2.gz SJQQTISPSOIVJI-SECBINFHSA-N -1 0 307.309 3.559 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000179234583 959436047 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C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000191137069 959541252 /nfs/dbraw/zinc/54/12/52/959541252.db2.gz UMNBOADCQMQVTO-YVEFUNNKSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000191400280 959558775 /nfs/dbraw/zinc/55/87/75/959558775.db2.gz FBCXSCQMBYCEHC-AWEZNQCLSA-N -1 0 311.381 3.819 20 0 DHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191633650 959586658 /nfs/dbraw/zinc/58/66/58/959586658.db2.gz JZCNRJDAHIYMJL-INIZCTEOSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192967774 959600581 /nfs/dbraw/zinc/60/05/81/959600581.db2.gz NWSPRPPOCJAHCU-IUODEOHRSA-N -1 0 321.392 3.626 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001588632955 959626685 /nfs/dbraw/zinc/62/66/85/959626685.db2.gz BTSWAYSKSDWYFP-INIZCTEOSA-N -1 0 311.381 3.624 20 0 DHADRM Cc1c(-c2nc([C@@H](C)C(=O)[O-])no2)sc2cccc(F)c12 ZINC001594253720 959636741 /nfs/dbraw/zinc/63/67/41/959636741.db2.gz JDMWXBZKKHLGBV-SSDOTTSWSA-N -1 0 306.318 3.587 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC001573653765 959658111 /nfs/dbraw/zinc/65/81/11/959658111.db2.gz LVVOWKQMIHFLII-QGZVFWFLSA-N -1 0 323.820 3.574 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC001573653764 959658300 /nfs/dbraw/zinc/65/83/00/959658300.db2.gz LVVOWKQMIHFLII-KRWDZBQOSA-N -1 0 323.820 3.574 20 0 DHADRM CCCOc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1OC ZINC000206731604 959663072 /nfs/dbraw/zinc/66/30/72/959663072.db2.gz GNIRHFRLALTSFE-ALCCZGGFSA-N -1 0 319.382 3.809 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCc1cc2ccccc2s1 ZINC001588639246 959672967 /nfs/dbraw/zinc/67/29/67/959672967.db2.gz AJZABEXJUOVEGR-CYBMUJFWSA-N -1 0 306.383 3.691 20 0 DHADRM CC1(C)CC(C(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC001573664226 959681832 /nfs/dbraw/zinc/68/18/32/959681832.db2.gz FPVAOKCBIGBBKD-UHFFFAOYSA-N -1 0 304.390 3.571 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573667006 959695634 /nfs/dbraw/zinc/69/56/34/959695634.db2.gz ANHIMLMRYCDMRK-XJKSGUPXSA-N -1 0 321.392 3.674 20 0 DHADRM CC(C)(C)C1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001588643177 959713728 /nfs/dbraw/zinc/71/37/28/959713728.db2.gz NFTSUWQDFSFGPT-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588644024 959720877 /nfs/dbraw/zinc/72/08/77/959720877.db2.gz XOOGYYSBCPJISR-UKRRQHHQSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C/CCc1ccccc1)C(=O)[O-] ZINC001588645977 959737096 /nfs/dbraw/zinc/73/70/96/959737096.db2.gz TYMJRRKRMUKVRM-OQRGYWNNSA-N -1 0 317.429 3.571 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)C(=O)[O-] ZINC001588646243 959738765 /nfs/dbraw/zinc/73/87/65/959738765.db2.gz UINZJIWHNLUYFU-ZNMIVQPWSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594268051 959761756 /nfs/dbraw/zinc/76/17/56/959761756.db2.gz CWBUIAIEUUNGAO-YJYMSZOUSA-N -1 0 309.365 3.711 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC[C@H]1CCC=CCCC1 ZINC001605768780 972458112 /nfs/dbraw/zinc/45/81/12/972458112.db2.gz JGUXQJSAWHYFDV-ZDUSSCGKSA-N -1 0 302.374 3.643 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)[O-])C1 ZINC001573739110 960476284 /nfs/dbraw/zinc/47/62/84/960476284.db2.gz OHFXVRMWWBWJLK-SECBINFHSA-N -1 0 307.415 3.700 20 0 DHADRM COc1nccc2cc(NCc3ccc(C(=O)[O-])s3)ccc21 ZINC001574244108 960478141 /nfs/dbraw/zinc/47/81/41/960478141.db2.gz CLTYZTJVNQBSQT-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM C[C@H](Sc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001603284227 972518031 /nfs/dbraw/zinc/51/80/31/972518031.db2.gz CPQXSBNNEKQEMB-YFKPBYRVSA-N -1 0 318.217 3.624 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Cl)c2ccncc12 ZINC001573784848 960731333 /nfs/dbraw/zinc/73/13/33/960731333.db2.gz JVJOBHDXMNLSGO-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc1Cl ZINC001574312355 960764716 /nfs/dbraw/zinc/76/47/16/960764716.db2.gz GEFBCDLVGSGYPM-CYBMUJFWSA-N -1 0 311.809 3.658 20 0 DHADRM CCC[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236855354 960777924 /nfs/dbraw/zinc/77/79/24/960777924.db2.gz NOVSGABAIZOTJB-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM CC(C)c1ccc(C(C)(C)NC(=O)CCCCC(=O)[O-])cc1 ZINC000655549041 1013199451 /nfs/dbraw/zinc/19/94/51/1013199451.db2.gz HVJGNAWHFPDJLM-UHFFFAOYSA-N -1 0 305.418 3.806 20 0 DHADRM Cc1cc(C)c(/C=C\C(=O)NCc2ccccc2C(=O)[O-])cc1C ZINC001574322070 960830463 /nfs/dbraw/zinc/83/04/63/960830463.db2.gz MQZSNUOGVLGCKR-HJWRWDBZSA-N -1 0 323.392 3.640 20 0 DHADRM CCC[C@H](C)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000237000551 960832627 /nfs/dbraw/zinc/83/26/27/960832627.db2.gz SULDRQVJDWQYJL-LSDHHAIUSA-N -1 0 305.418 3.562 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000237072198 960864837 /nfs/dbraw/zinc/86/48/37/960864837.db2.gz VBWKXPVJIHEXMR-CYBMUJFWSA-N -1 0 323.392 3.583 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001573819346 960937797 /nfs/dbraw/zinc/93/77/97/960937797.db2.gz AOJUJYSZAJOEBX-LJQANCHMSA-N -1 0 317.429 3.602 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1C)c1cccc(F)c1 ZINC001319329098 960942450 /nfs/dbraw/zinc/94/24/50/960942450.db2.gz WEHJOPZDFQQLAD-LUAWRHEFSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001319416900 960947000 /nfs/dbraw/zinc/94/70/00/960947000.db2.gz JYCIPRIXBWVAHS-NSHDSACASA-N -1 0 315.344 3.965 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)C2CCCCCC2)C1 ZINC001573820425 960948805 /nfs/dbraw/zinc/94/88/05/960948805.db2.gz LWSPWSZKQSDPDF-KDOFPFPSSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574357767 961011465 /nfs/dbraw/zinc/01/14/65/961011465.db2.gz YKQCPICGIZNSMM-STRFDMGBSA-N -1 0 313.353 3.519 20 0 DHADRM CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC34CC4)c2C(=O)[O-])C1 ZINC001573830123 961011382 /nfs/dbraw/zinc/01/13/82/961011382.db2.gz NEBDVJCJALNLJL-ONGXEEELSA-N -1 0 319.426 3.700 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573830880 961018176 /nfs/dbraw/zinc/01/81/76/961018176.db2.gz VZPOEIRUCSPKIU-KGLIPLIRSA-N -1 0 303.402 3.639 20 0 DHADRM Cc1ccc([C@@H](NCc2cccc(C(=O)[O-])c2)C(F)(F)F)o1 ZINC001574359739 961020671 /nfs/dbraw/zinc/02/06/71/961020671.db2.gz ZBTWCIQFRHDCEZ-CYBMUJFWSA-N -1 0 313.275 3.679 20 0 DHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237810745 961028112 /nfs/dbraw/zinc/02/81/12/961028112.db2.gz ALHKYCAQVNPIKH-CYBMUJFWSA-N -1 0 321.417 3.609 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(Cl)c1C ZINC001574373956 961077627 /nfs/dbraw/zinc/07/76/27/961077627.db2.gz HVMKHQOFRURPTN-JOYOIKCWSA-N -1 0 324.808 3.531 20 0 DHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001573848486 961110121 /nfs/dbraw/zinc/11/01/21/961110121.db2.gz GHTRYODNBXTZJC-HNNXBMFYSA-N -1 0 323.820 3.580 20 0 DHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655553808 1013234283 /nfs/dbraw/zinc/23/42/83/1013234283.db2.gz SABCQKRRHGLNAF-UHFFFAOYSA-N -1 0 323.389 3.506 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001328494341 961209871 /nfs/dbraw/zinc/20/98/71/961209871.db2.gz ONCHBXPXGBNLFB-MNOVXSKESA-N -1 0 324.446 3.625 20 0 DHADRM Cc1cccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001574398385 961223413 /nfs/dbraw/zinc/22/34/13/961223413.db2.gz MBVQUCHQJXTANI-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cn[nH]n1 ZINC000047623598 1013238918 /nfs/dbraw/zinc/23/89/18/1013238918.db2.gz YXIUGQJJGFEBRK-UHFFFAOYSA-N -1 0 314.732 3.503 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001574402468 961244273 /nfs/dbraw/zinc/24/42/73/961244273.db2.gz ZEUKHNTYVVBLOF-YOEHRIQHSA-N -1 0 323.392 3.704 20 0 DHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCCC1)C1=CCCC1 ZINC001588779865 961303043 /nfs/dbraw/zinc/30/30/43/961303043.db2.gz NVJNYXARWJDRNM-UHFFFAOYSA-N -1 0 307.434 3.664 20 0 DHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000261638334 961385186 /nfs/dbraw/zinc/38/51/86/961385186.db2.gz CSYLKOVZVJJFKQ-UHFFFAOYSA-N -1 0 311.381 3.620 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262084715 961444937 /nfs/dbraw/zinc/44/49/37/961444937.db2.gz BWCSHSJFQPQKQS-BBRMVZONSA-N -1 0 317.429 3.648 20 0 DHADRM CCc1cccc(C)c1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262092959 961451680 /nfs/dbraw/zinc/45/16/80/961451680.db2.gz GPKBAQROKDFPLH-UHFFFAOYSA-N -1 0 311.381 3.827 20 0 DHADRM O=C(c1ccc(Cl)c(Cl)c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000155168894 1013260817 /nfs/dbraw/zinc/26/08/17/1013260817.db2.gz LDPVIWBCAQIVSG-IUCAKERBSA-N -1 0 300.185 3.571 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC001588811750 961519654 /nfs/dbraw/zinc/51/96/54/961519654.db2.gz ASBZSJYDSCFBSL-JTQLQIEISA-N -1 0 324.682 3.621 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)CC ZINC001332578495 961594006 /nfs/dbraw/zinc/59/40/06/961594006.db2.gz IVVPTOMNESSDFD-XAFDKWKKSA-N -1 0 301.386 3.540 20 0 DHADRM CC[C@@H](Nc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001573936423 961596744 /nfs/dbraw/zinc/59/67/44/961596744.db2.gz XRYSCKFTMSZAJT-ZCFIWIBFSA-N -1 0 317.094 3.682 20 0 DHADRM CC[C@H](NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573942868 961621372 /nfs/dbraw/zinc/62/13/72/961621372.db2.gz GFKXKCOKEKCZOS-OAGGEKHMSA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccc(CC)c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001573954549 961664273 /nfs/dbraw/zinc/66/42/73/961664273.db2.gz NSHCGQVSHMUFSS-MRXNPFEDSA-N -1 0 303.402 3.641 20 0 DHADRM CCc1ccc(CC)c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001573954548 961664341 /nfs/dbraw/zinc/66/43/41/961664341.db2.gz NSHCGQVSHMUFSS-INIZCTEOSA-N -1 0 303.402 3.641 20 0 DHADRM CCc1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)nc1 ZINC001573956956 961675445 /nfs/dbraw/zinc/67/54/45/961675445.db2.gz RYBNIFOASDDVQU-MRXNPFEDSA-N -1 0 324.424 3.688 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001588841601 961806981 /nfs/dbraw/zinc/80/69/81/961806981.db2.gz MWBMDFLEOMBNMK-OCCSQVGLSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001588842055 961814812 /nfs/dbraw/zinc/81/48/12/961814812.db2.gz VBVBRKJTCYDYNP-GXTWGEPZSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)C[C@H](CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC001588848087 961907758 /nfs/dbraw/zinc/90/77/58/961907758.db2.gz DLPYKPNDUBWQSH-SOUVJXGZSA-N -1 0 311.466 3.702 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC001336104866 961949267 /nfs/dbraw/zinc/94/92/67/961949267.db2.gz JOMRBHIEKXPVPG-JTQLQIEISA-N -1 0 319.307 3.714 20 0 DHADRM CCC(C)(C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262884103 961957905 /nfs/dbraw/zinc/95/79/05/961957905.db2.gz CKNUEOCAYDIAOS-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2ccnc(C(=O)[O-])c2)CCCC1 ZINC001588860927 961997641 /nfs/dbraw/zinc/99/76/41/961997641.db2.gz NTUQRONFIGLCNA-UHFFFAOYSA-N -1 0 319.405 3.508 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2ncccc2C(F)(F)F)c1 ZINC001339135334 962008866 /nfs/dbraw/zinc/00/88/66/962008866.db2.gz PAMHZOXDCLZVSF-JTQLQIEISA-N -1 0 324.302 3.901 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001339539466 962042990 /nfs/dbraw/zinc/04/29/90/962042990.db2.gz MRCCMFOTPYOGHZ-VIFPVBQESA-N -1 0 315.291 3.546 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000263005997 962102257 /nfs/dbraw/zinc/10/22/57/962102257.db2.gz PFHJIPAWNYKHOB-RYUDHWBXSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)COc1cccc(CNc2ccc(CC(=O)[O-])cc2)c1 ZINC000076273331 1013319791 /nfs/dbraw/zinc/31/97/91/1013319791.db2.gz DUJAMMAXJJIWMP-UHFFFAOYSA-N -1 0 313.397 3.961 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001345055933 962220168 /nfs/dbraw/zinc/22/01/68/962220168.db2.gz NQOPNXNKXUDDSV-OKILXGFUSA-N -1 0 321.442 3.686 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2ccccc2C(=O)[O-])s1 ZINC001588905962 962271385 /nfs/dbraw/zinc/27/13/85/962271385.db2.gz BULHDOURSPFAGH-UHFFFAOYSA-N -1 0 317.410 3.575 20 0 DHADRM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC001588912830 962331345 /nfs/dbraw/zinc/33/13/45/962331345.db2.gz UGPPTYNROZCSQA-VQHVLOKHSA-N -1 0 317.316 3.572 20 0 DHADRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cn1 ZINC000519494394 1013334431 /nfs/dbraw/zinc/33/44/31/1013334431.db2.gz AGNKQAFZBUALJF-UHFFFAOYSA-N -1 0 319.430 3.532 20 0 DHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C1CC1 ZINC000263211043 962366497 /nfs/dbraw/zinc/36/64/97/962366497.db2.gz ZQLKVQCFGMBWLH-SJKOYZFVSA-N -1 0 311.381 3.518 20 0 DHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C)cc(C(=O)[O-])c1)C1CC1 ZINC000263213542 962369936 /nfs/dbraw/zinc/36/99/36/962369936.db2.gz LVTLWQWYKXTINQ-CHWSQXEVSA-N -1 0 303.402 3.732 20 0 DHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588920860 962374560 /nfs/dbraw/zinc/37/45/60/962374560.db2.gz YKKUOSCSSTZWTH-UHFFFAOYSA-N -1 0 315.344 3.575 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C ZINC000263255968 962396163 /nfs/dbraw/zinc/39/61/63/962396163.db2.gz FOWXWPTXULEMEJ-QGZVFWFLSA-N -1 0 305.418 3.843 20 0 DHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000263263589 962402454 /nfs/dbraw/zinc/40/24/54/962402454.db2.gz GUPVABZZMBWPHE-HYSWKAIVSA-N -1 0 323.820 3.798 20 0 DHADRM CC1(C)CC[C@H](CNC(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000263271898 962409496 /nfs/dbraw/zinc/40/94/96/962409496.db2.gz IGJOMKMSGAYQEZ-CQSZACIVSA-N -1 0 317.429 3.603 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263274948 962415194 /nfs/dbraw/zinc/41/51/94/962415194.db2.gz WMHKWDAQNQAUOE-LLVKDONJSA-N -1 0 309.431 3.669 20 0 DHADRM O=C([O-])C1CC(Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC001574650796 962429756 /nfs/dbraw/zinc/42/97/56/962429756.db2.gz WAFFNUFOBJIRPL-UHFFFAOYSA-N -1 0 309.365 3.564 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001347928046 962432873 /nfs/dbraw/zinc/43/28/73/962432873.db2.gz CHZICWHQQFGEBO-UHFFFAOYSA-N -1 0 323.389 3.674 20 0 DHADRM O=C([O-])CCCCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000263324950 962468296 /nfs/dbraw/zinc/46/82/96/962468296.db2.gz SNPVDPFRLCFXMB-UHFFFAOYSA-N -1 0 323.820 3.871 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263362380 962520038 /nfs/dbraw/zinc/52/00/38/962520038.db2.gz YTRJTIRHPMAFNZ-LRDDRELGSA-N -1 0 319.401 3.551 20 0 DHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)sc1C ZINC000263365950 962526278 /nfs/dbraw/zinc/52/62/78/962526278.db2.gz ZWSYGKXTPHLIGR-SNVBAGLBSA-N -1 0 303.383 3.805 20 0 DHADRM CC(C)CCCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001349996958 962531085 /nfs/dbraw/zinc/53/10/85/962531085.db2.gz MXLJDIVZEGNQBT-OAHLLOKOSA-N -1 0 320.433 3.603 20 0 DHADRM CC(C)SCCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588941536 962540960 /nfs/dbraw/zinc/54/09/60/962540960.db2.gz LDHHTUOVTRGHOZ-AWEZNQCLSA-N -1 0 307.459 3.672 20 0 DHADRM Cc1oc(CN(C)Cc2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001350598776 962542057 /nfs/dbraw/zinc/54/20/57/962542057.db2.gz CFPHWMSSJWRJDB-UHFFFAOYSA-N -1 0 322.430 3.672 20 0 DHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ccsc1 ZINC000263391466 962551397 /nfs/dbraw/zinc/55/13/97/962551397.db2.gz GKFQVCHZFVFZRT-CQSZACIVSA-N -1 0 309.431 3.682 20 0 DHADRM Cn1c2ccc(NCc3cccc(C(=O)[O-])c3)cc2nc1C1CC1 ZINC000263415037 962583326 /nfs/dbraw/zinc/58/33/26/962583326.db2.gz MXIZUPMUBYMWPB-UHFFFAOYSA-N -1 0 321.380 3.761 20 0 DHADRM CC(C)[C@H](NC(=O)Nc1ccccc1-c1cccs1)C(=O)[O-] ZINC001588957481 962599362 /nfs/dbraw/zinc/59/93/62/962599362.db2.gz AFMACVALGHGGMH-AWEZNQCLSA-N -1 0 318.398 3.646 20 0 DHADRM CC(C)c1ccc(-c2noc(CSCCC(=O)[O-])n2)cc1 ZINC001588962729 962628411 /nfs/dbraw/zinc/62/84/11/962628411.db2.gz LARXJSTVJVLGET-UHFFFAOYSA-N -1 0 306.387 3.568 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001588966522 962647550 /nfs/dbraw/zinc/64/75/50/962647550.db2.gz AZGSLONPKJYGDL-FUTAKVPZSA-N -1 0 317.429 3.686 20 0 DHADRM C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263462722 962650835 /nfs/dbraw/zinc/65/08/35/962650835.db2.gz VZLAIHLYLMGQFV-FZKQIMNGSA-N -1 0 323.392 3.970 20 0 DHADRM CC(C)c1ccc(SCc2nc([C@H](C)C(=O)[O-])no2)cc1 ZINC001588968503 962657425 /nfs/dbraw/zinc/65/74/25/962657425.db2.gz KAZXEPVIVXCYJA-JTQLQIEISA-N -1 0 306.387 3.673 20 0 DHADRM CCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263474557 962660247 /nfs/dbraw/zinc/66/02/47/962660247.db2.gz YUTYYWDNSXDHEM-UHFFFAOYSA-N -1 0 311.381 3.972 20 0 DHADRM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NCCCC(=O)[O-] ZINC000263476330 962661753 /nfs/dbraw/zinc/66/17/53/962661753.db2.gz MRVYZFICZPYVNC-OAHLLOKOSA-N -1 0 320.433 3.588 20 0 DHADRM Cc1ccc(-c2csc(NC(=O)CCCCC(=O)[O-])n2)s1 ZINC000655551351 1013363558 /nfs/dbraw/zinc/36/35/58/1013363558.db2.gz QXJPPHXQMCXZPB-UHFFFAOYSA-N -1 0 324.427 3.764 20 0 DHADRM CC(C)c1nc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc2s1 ZINC001588975542 962693214 /nfs/dbraw/zinc/69/32/14/962693214.db2.gz WWEDITAXWXGMPD-CYBMUJFWSA-N -1 0 320.414 3.715 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1occc1C(C)C ZINC000263522638 962703302 /nfs/dbraw/zinc/70/33/02/962703302.db2.gz HZALZGDMNKDWOE-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM O=C([O-])CCc1cccc(NCc2cnn(-c3ccccc3)c2)c1 ZINC001574710511 962707704 /nfs/dbraw/zinc/70/77/04/962707704.db2.gz UWIMISFKGKLFJL-UHFFFAOYSA-N -1 0 321.380 3.502 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001573339045 962885903 /nfs/dbraw/zinc/88/59/03/962885903.db2.gz ABVRCKLHJOMYFX-OWBHPGMISA-N -1 0 309.365 3.560 20 0 DHADRM CC1(C)C[C@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001167972654 1013403129 /nfs/dbraw/zinc/40/31/29/1013403129.db2.gz NPXNZTWLBQPNKJ-SFHVURJKSA-N -1 0 317.335 3.726 20 0 DHADRM COc1ccc(Nc2ccc(-n3ccnc3C)cc2)cc1C(=O)[O-] ZINC001209902324 1013417327 /nfs/dbraw/zinc/41/73/27/1013417327.db2.gz CRZXCNOOIICVDI-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000314150541 963718260 /nfs/dbraw/zinc/71/82/60/963718260.db2.gz RATQCVAQIXCIHC-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1ccccc1CC ZINC000319961043 1013501686 /nfs/dbraw/zinc/50/16/86/1013501686.db2.gz KGUKBUQBBFVRRN-QGZVFWFLSA-N -1 0 304.390 3.500 20 0 DHADRM CC(C)CC(=O)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001204747977 1013518787 /nfs/dbraw/zinc/51/87/87/1013518787.db2.gz ZEOOBTHODSLNAW-UHFFFAOYSA-N -1 0 319.411 3.864 20 0 DHADRM CN(Cc1c(C(=O)[O-])sc2cccc(F)c21)CC(F)(F)F ZINC000037664913 1013527156 /nfs/dbraw/zinc/52/71/56/1013527156.db2.gz PGYOVSXIJMZLJQ-UHFFFAOYSA-N -1 0 321.295 3.733 20 0 DHADRM O=C([O-])c1ccc(C[NH+]2CCC(c3ccsc3)CC2)s1 ZINC000519605949 1013528210 /nfs/dbraw/zinc/52/82/10/1013528210.db2.gz MEYWLBAMDGPWOE-UHFFFAOYSA-N -1 0 307.440 3.887 20 0 DHADRM Cc1cscc1NC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000579925359 1013566711 /nfs/dbraw/zinc/56/67/11/1013566711.db2.gz DUTKSVZSDJRPKK-GFCCVEGCSA-N -1 0 318.398 3.736 20 0 DHADRM CCc1cc(=O)[nH]c(S[C@H](C)CCSc2ccccc2)n1 ZINC000188113301 1013635199 /nfs/dbraw/zinc/63/51/99/1013635199.db2.gz BYODKJSOOVGTJV-GFCCVEGCSA-N -1 0 320.483 3.995 20 0 DHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000579235659 1013714026 /nfs/dbraw/zinc/71/40/26/1013714026.db2.gz ACTNIMWCHJNGSG-QQFBHYJXSA-N -1 0 317.429 3.762 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1Cl ZINC000050922856 967534765 /nfs/dbraw/zinc/53/47/65/967534765.db2.gz CKXHRYMEWVQGHT-LLVKDONJSA-N -1 0 310.781 3.591 20 0 DHADRM COc1ccc(C(=O)[O-])cc1Nc1ccnc(C(F)(F)F)c1 ZINC001210252668 1013741707 /nfs/dbraw/zinc/74/17/07/1013741707.db2.gz PUBHOPPKSFPXNF-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM Cc1ccc2c(c1)N(C(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000683617530 1013751876 /nfs/dbraw/zinc/75/18/76/1013751876.db2.gz HVTOLSNHYFXGTM-UHFFFAOYSA-N -1 0 305.736 3.696 20 0 DHADRM CCCN(CC(F)(F)F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683618010 1013753664 /nfs/dbraw/zinc/75/36/64/1013753664.db2.gz PIJKMIZHCSFODP-UHFFFAOYSA-N -1 0 313.678 3.599 20 0 DHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1Cl ZINC000620963648 1013790998 /nfs/dbraw/zinc/79/09/98/1013790998.db2.gz BCLXTBRPDXFGAX-MRVPVSSYSA-N -1 0 311.715 3.815 20 0 DHADRM Cc1cc(C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1O ZINC000683631683 1013791520 /nfs/dbraw/zinc/79/15/20/1013791520.db2.gz XYCKAYNOYDNTNI-UHFFFAOYSA-N -1 0 309.724 3.759 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262088073 1013798738 /nfs/dbraw/zinc/79/87/38/1013798738.db2.gz LGOGNJABYCRTKJ-HUUCEWRRSA-N -1 0 303.402 3.983 20 0 DHADRM CCSCc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC000593921309 968493095 /nfs/dbraw/zinc/49/30/95/968493095.db2.gz SVZZVAIZNCUJHK-QGZVFWFLSA-N -1 0 319.426 3.689 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000630566966 968537651 /nfs/dbraw/zinc/53/76/51/968537651.db2.gz AUMNCVDJWCQBDM-LRDDRELGSA-N -1 0 316.401 3.529 20 0 DHADRM CC[C@@H](C)Oc1ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC000653302176 968645391 /nfs/dbraw/zinc/64/53/91/968645391.db2.gz KAMDZQJWPWKHAQ-GFCCVEGCSA-N -1 0 307.390 3.693 20 0 DHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663040468 968768033 /nfs/dbraw/zinc/76/80/33/968768033.db2.gz PMUGODNALKASKB-CQSZACIVSA-N -1 0 307.390 3.509 20 0 DHADRM CCSc1ccc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663092888 968799243 /nfs/dbraw/zinc/79/92/43/968799243.db2.gz SSVRIWUTFJAJOZ-BXUZGUMPSA-N -1 0 323.458 3.723 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2cncc3ccccc32)c1 ZINC000683326825 968872633 /nfs/dbraw/zinc/87/26/33/968872633.db2.gz GCYATSBKVINUEC-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000330868623 1013843611 /nfs/dbraw/zinc/84/36/11/1013843611.db2.gz PJPBLVFURCENJK-KWQFWETISA-N -1 0 304.173 3.595 20 0 DHADRM C[C@H](C(=O)[O-])c1noc(-c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC001609717781 970493316 /nfs/dbraw/zinc/49/33/16/970493316.db2.gz FDLNAKXZCPXCFZ-YFKPBYRVSA-N -1 0 320.654 3.597 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccccc3c2)ccc1F ZINC000319993923 970599113 /nfs/dbraw/zinc/59/91/13/970599113.db2.gz KTPRMQRAIBZMQS-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000320046510 970606298 /nfs/dbraw/zinc/60/62/98/970606298.db2.gz RVPWSWDRQMXLPF-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001604157355 972569538 /nfs/dbraw/zinc/56/95/38/972569538.db2.gz BYKOPNHATNHCMG-UHFFFAOYSA-N -1 0 311.809 3.574 20 0 DHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1Cl ZINC001604994032 972585707 /nfs/dbraw/zinc/58/57/07/972585707.db2.gz FQCWPYKXMXJBTJ-JYESYGNLSA-N -1 0 319.744 3.522 20 0 DHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001604994029 972585812 /nfs/dbraw/zinc/58/58/12/972585812.db2.gz FJFAYVOFTUIWBW-VQCYPWCPSA-N -1 0 319.744 3.522 20 0 DHADRM O=C([O-])[C@H](C(=O)Oc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001605900255 972718438 /nfs/dbraw/zinc/71/84/38/972718438.db2.gz FHOUEZUHOOEYTB-GFCCVEGCSA-N -1 0 316.275 3.502 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3cc[nH]c3c2)CCCCCC1 ZINC001605942512 972893276 /nfs/dbraw/zinc/89/32/76/972893276.db2.gz ZPWQPXCZTKRPEF-UHFFFAOYSA-N -1 0 300.358 3.532 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001603373032 972908812 /nfs/dbraw/zinc/90/88/12/972908812.db2.gz VFOVCOYEJOEUOA-UKRRQHHQSA-N -1 0 317.429 3.601 20 0 DHADRM Cc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1C(=O)[O-] ZINC001605202381 972942460 /nfs/dbraw/zinc/94/24/60/972942460.db2.gz SBRMSXQSPWVBND-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM Cc1cc(NC2CCC(C(=O)[O-])CC2)nn1-c1ccc(C)cc1 ZINC001605243022 973005404 /nfs/dbraw/zinc/00/54/04/973005404.db2.gz ZAHRCPNKMADEIX-UHFFFAOYSA-N -1 0 313.401 3.544 20 0 DHADRM Cc1ccc(N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C(C)C)cc1 ZINC001605284848 973085922 /nfs/dbraw/zinc/08/59/22/973085922.db2.gz SKRUYBHAEKHCNP-CMDGGOBGSA-N -1 0 313.353 3.741 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1C ZINC001605289194 973101119 /nfs/dbraw/zinc/10/11/19/973101119.db2.gz TZVVONPAWLFBBU-JQWIXIFHSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001605310193 973135114 /nfs/dbraw/zinc/13/51/14/973135114.db2.gz QDKAXPAAGKUXKF-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001604406710 973159135 /nfs/dbraw/zinc/15/91/35/973159135.db2.gz NMJBUTDWFWJUKP-AEJSXWLSSA-N -1 0 314.740 3.584 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2cccc(C)c2Cl)C(=O)[O-])c1 ZINC001605328632 973185906 /nfs/dbraw/zinc/18/59/06/973185906.db2.gz PLIDXZOITVPSGK-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1cccc([C@H](NCc2nsc3ccccc32)C(=O)[O-])c1 ZINC001605329694 973200526 /nfs/dbraw/zinc/20/05/26/973200526.db2.gz KKSNUCPWRRVSBM-INIZCTEOSA-N -1 0 312.394 3.520 20 0 DHADRM Cc1cccc(Cl)c1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001605339383 973226519 /nfs/dbraw/zinc/22/65/19/973226519.db2.gz HPVXGHITADSLEI-VURMDHGXSA-N -1 0 305.717 3.592 20 0 DHADRM [S-]c1cccc(Nc2ccc(OCC3CCOCC3)nc2)c1 ZINC001210945354 1014092843 /nfs/dbraw/zinc/09/28/43/1014092843.db2.gz OBKICUYVTANDMY-UHFFFAOYSA-N -1 0 316.426 3.919 20 0 DHADRM Cc1cccc2nc(N[C@H](Cc3ccccc3)C(=O)[O-])sc21 ZINC001605349773 973248641 /nfs/dbraw/zinc/24/86/41/973248641.db2.gz FPWVIQURNCXEHF-CQSZACIVSA-N -1 0 312.394 3.713 20 0 DHADRM COC(=O)Cc1c(F)ccc(Nc2cccc([S-])c2)c1F ZINC001210950768 1014095852 /nfs/dbraw/zinc/09/58/52/1014095852.db2.gz URKUHUPWUWPYJA-UHFFFAOYSA-N -1 0 309.337 3.713 20 0 DHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605356868 973274989 /nfs/dbraw/zinc/27/49/89/973274989.db2.gz LMVCCMRBKKWACT-MMQHEFTJSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1ccccc1[C@H](C)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605356870 973275073 /nfs/dbraw/zinc/27/50/73/973275073.db2.gz LMVCCMRBKKWACT-YXVBKTCISA-N -1 0 313.353 3.519 20 0 DHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605356867 973275112 /nfs/dbraw/zinc/27/51/12/973275112.db2.gz LMVCCMRBKKWACT-LJTDUEICSA-N -1 0 313.353 3.519 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000400669285 973306923 /nfs/dbraw/zinc/30/69/23/973306923.db2.gz VBDYDFXYAGLDJK-POYBYMJQSA-N -1 0 324.229 3.674 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000400669289 973307586 /nfs/dbraw/zinc/30/75/86/973307586.db2.gz VBDYDFXYAGLDJK-SVRRBLITSA-N -1 0 324.229 3.674 20 0 DHADRM COC(=O)c1c([N-]c2nccs2)scc1C(F)(F)F ZINC001210990995 1014101995 /nfs/dbraw/zinc/10/19/95/1014101995.db2.gz RFTLGKSQGQBIGN-UHFFFAOYSA-N -1 0 308.306 3.754 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000401308153 973353247 /nfs/dbraw/zinc/35/32/47/973353247.db2.gz NLHFGVXSKGSYII-SSDOTTSWSA-N -1 0 324.229 3.674 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CC1CCC(c2ccccc2)CC1 ZINC001603491979 973432890 /nfs/dbraw/zinc/43/28/90/973432890.db2.gz LVOWOZXPQCYOCM-PREGVCBESA-N -1 0 317.429 3.672 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001603519715 973542036 /nfs/dbraw/zinc/54/20/36/973542036.db2.gz DZYIMEAKGCXSND-ZIAGYGMSSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603549319 973610744 /nfs/dbraw/zinc/61/07/44/973610744.db2.gz PCQRTIYWQBHOIK-DNVCBOLYSA-N -1 0 317.429 3.709 20 0 DHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604662646 973845856 /nfs/dbraw/zinc/84/58/56/973845856.db2.gz IPXNVZIDHSJXCI-QWHCGFSZSA-N -1 0 320.389 3.606 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCC2=CCCCCC2)C1 ZINC001603600958 973846094 /nfs/dbraw/zinc/84/60/94/973846094.db2.gz OYHWOJCDPMXQNT-SFHVURJKSA-N -1 0 322.449 3.553 20 0 DHADRM CCC1(c2ccccc2)CN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001603618049 973905361 /nfs/dbraw/zinc/90/53/61/973905361.db2.gz JHZZBGXCOOXSTI-UHFFFAOYSA-N -1 0 324.380 3.580 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001603619965 973920742 /nfs/dbraw/zinc/92/07/42/973920742.db2.gz PUAUGRUXVITTIY-BZUAXINKSA-N -1 0 324.465 3.632 20 0 DHADRM COc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2ccccc21 ZINC001604722483 973930419 /nfs/dbraw/zinc/93/04/19/973930419.db2.gz XVLJRFFEYPNKIG-HNNXBMFYSA-N -1 0 315.369 3.534 20 0 DHADRM COc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2ccccc21 ZINC001604722487 973930766 /nfs/dbraw/zinc/93/07/66/973930766.db2.gz XVLJRFFEYPNKIG-OAHLLOKOSA-N -1 0 315.369 3.534 20 0 DHADRM CCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1OC ZINC000414093812 973931441 /nfs/dbraw/zinc/93/14/41/973931441.db2.gz OAQBPQQAFIXOLO-UHFFFAOYSA-N -1 0 319.401 3.621 20 0 DHADRM CC(C)(CCNC(=O)Nc1csc2ccccc12)C(=O)[O-] ZINC000424379134 974022406 /nfs/dbraw/zinc/02/24/06/974022406.db2.gz HQXSMDLQCURTDJ-UHFFFAOYSA-N -1 0 306.387 3.524 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC000425236977 974039170 /nfs/dbraw/zinc/03/91/70/974039170.db2.gz GIMIRDJLAIAWPR-IOASZLSFSA-N -1 0 303.402 3.715 20 0 DHADRM CCCc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603692725 974088468 /nfs/dbraw/zinc/08/84/68/974088468.db2.gz KUOMGDCICAQJSW-UHOFOFEASA-N -1 0 317.429 3.504 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001605710736 974142536 /nfs/dbraw/zinc/14/25/36/974142536.db2.gz ASBFXJOZWVOLQG-CABCVRRESA-N -1 0 309.365 3.592 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000478869994 974214440 /nfs/dbraw/zinc/21/44/40/974214440.db2.gz WSFOCDWZBYRTBD-OUCADQQQSA-N -1 0 319.376 3.613 20 0 DHADRM CCCN(Cc1ccc(OC)cc1)[C@H](C(=O)[O-])c1ccsc1 ZINC000530171760 974361173 /nfs/dbraw/zinc/36/11/73/974361173.db2.gz DRGUGBSFOWSTDC-INIZCTEOSA-N -1 0 319.426 3.795 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000537476025 974385367 /nfs/dbraw/zinc/38/53/67/974385367.db2.gz SSACISKDDLNHHJ-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM O=C([O-])CC1(CNC(=O)c2sccc2C2CC2)CCCCC1 ZINC000538576358 974390870 /nfs/dbraw/zinc/39/08/70/974390870.db2.gz ZTSVVYZZIYTQNE-UHFFFAOYSA-N -1 0 321.442 3.781 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000656239282 1014191177 /nfs/dbraw/zinc/19/11/77/1014191177.db2.gz WXCQPSNHUIENKJ-MRXNPFEDSA-N -1 0 315.413 3.527 20 0 DHADRM CCc1ccc([C@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC001603968336 974450267 /nfs/dbraw/zinc/45/02/67/974450267.db2.gz GJWOYRYOXAUBCV-SFHVURJKSA-N -1 0 323.392 3.577 20 0 DHADRM Cc1oc(CN(C)Cc2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000563283143 974527101 /nfs/dbraw/zinc/52/71/01/974527101.db2.gz OZKBEJKLFZVZOB-UHFFFAOYSA-N -1 0 311.740 3.711 20 0 DHADRM CC(C)[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccccc1Cl ZINC000565225518 974575131 /nfs/dbraw/zinc/57/51/31/974575131.db2.gz RCHPUWCRGIUTPB-MEDUHNTESA-N -1 0 311.809 3.654 20 0 DHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCCC1CC1 ZINC000656246467 1014203088 /nfs/dbraw/zinc/20/30/88/1014203088.db2.gz NAAXEELBWHXATB-UHFFFAOYSA-N -1 0 323.392 3.972 20 0 DHADRM CC(C)Cn1ccc2cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc21 ZINC000566481649 974612889 /nfs/dbraw/zinc/61/28/89/974612889.db2.gz APPTUNVBNPMAEN-CYBMUJFWSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@@H]1C ZINC000567628696 974639115 /nfs/dbraw/zinc/63/91/15/974639115.db2.gz XKEQZTYUQWTRAB-KBPBESRZSA-N -1 0 323.392 3.780 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(c2cccs2)CCCCC1 ZINC000568246247 974663053 /nfs/dbraw/zinc/66/30/53/974663053.db2.gz JDBDXXYERKULNQ-CYBMUJFWSA-N -1 0 323.458 3.567 20 0 DHADRM CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000569981418 974703032 /nfs/dbraw/zinc/70/30/32/974703032.db2.gz CHZKYOZFAVQVTN-LBPRGKRZSA-N -1 0 303.358 3.570 20 0 DHADRM COc1ccc(Cl)cc1CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000570287245 974708933 /nfs/dbraw/zinc/70/89/33/974708933.db2.gz YCBHTIMIXAWMRY-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccc2Cl)o1 ZINC000574165292 974777605 /nfs/dbraw/zinc/77/76/05/974777605.db2.gz ZRUSYZSSTWWLOZ-AWEZNQCLSA-N -1 0 305.761 3.968 20 0 DHADRM O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@H]1CC1CCCC1 ZINC000655366898 1014217602 /nfs/dbraw/zinc/21/76/02/1014217602.db2.gz KCVXOMBMGHVWEU-HNNXBMFYSA-N -1 0 324.424 3.713 20 0 DHADRM CC(C)c1occc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000576667903 974819484 /nfs/dbraw/zinc/81/94/84/974819484.db2.gz VLVSNRONSBRDAH-UHFFFAOYSA-N -1 0 307.390 3.558 20 0 DHADRM CCCN(Cc1nc(C(=O)[O-])cs1)Cc1ccc(C)cc1 ZINC000580560953 1014222098 /nfs/dbraw/zinc/22/20/98/1014222098.db2.gz FDESKWVORZZXGW-UHFFFAOYSA-N -1 0 304.415 3.562 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCC[C@H]1C ZINC000578849849 974863229 /nfs/dbraw/zinc/86/32/29/974863229.db2.gz ULVADCZKRXROEF-VXGBXAGGSA-N -1 0 305.374 3.548 20 0 DHADRM Cc1cc([C@H](C)N2CCc3ccc(F)cc3C2)oc1C(=O)[O-] ZINC000580574590 974896926 /nfs/dbraw/zinc/89/69/26/974896926.db2.gz BSFRIWBTTAPFIB-NSHDSACASA-N -1 0 303.333 3.545 20 0 DHADRM C[C@H]1CC[C@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000581195497 974906530 /nfs/dbraw/zinc/90/65/30/974906530.db2.gz 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ZINC000630096188 975098225 /nfs/dbraw/zinc/09/82/25/975098225.db2.gz JMTRDGIYMUJARV-QZTJIDSGSA-N -1 0 323.392 3.585 20 0 DHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)oc1C(=O)[O-] ZINC000630107157 975103820 /nfs/dbraw/zinc/10/38/20/975103820.db2.gz BUSFYJCRXMWKBG-OAHLLOKOSA-N -1 0 315.369 3.803 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630108203 975104698 /nfs/dbraw/zinc/10/46/98/975104698.db2.gz KOHMGLRODLOJEX-UHFFFAOYSA-N -1 0 321.760 3.602 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(C2CC2)n1 ZINC000630131692 975116379 /nfs/dbraw/zinc/11/63/79/975116379.db2.gz OJOXOURHYDHVBF-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000630138984 975122817 /nfs/dbraw/zinc/12/28/17/975122817.db2.gz BBJDHBGXGGRRTE-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM CCCC[C@H](NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000630160984 975136123 /nfs/dbraw/zinc/13/61/23/975136123.db2.gz QZNFJTXWIFBTCD-HNNXBMFYSA-N -1 0 315.369 3.628 20 0 DHADRM Cc1ccccc1C[C@H](C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000630163345 975138254 /nfs/dbraw/zinc/13/82/54/975138254.db2.gz WELLAKXKNBRMKR-NSHDSACASA-N -1 0 303.383 3.572 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000630183917 975146248 /nfs/dbraw/zinc/14/62/48/975146248.db2.gz DWFOYJHJYGMBIX-DGCLKSJQSA-N -1 0 305.374 3.548 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630212222 975162303 /nfs/dbraw/zinc/16/23/03/975162303.db2.gz XIFAPVJNXZCBKP-ZDUSSCGKSA-N -1 0 307.390 3.861 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(-c2ccccc2)s1 ZINC000630228822 975176828 /nfs/dbraw/zinc/17/68/28/975176828.db2.gz GLQBBZKXLJGIDB-LBPRGKRZSA-N -1 0 317.410 3.532 20 0 DHADRM CC1(C)CCC(C)(C)N(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000630236760 975182843 /nfs/dbraw/zinc/18/28/43/975182843.db2.gz WOANPLWMFMJHCK-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@@H](Oc1ccc(NC(=O)C2CCCCCC2)cc1F)C(=O)[O-] ZINC000630258086 975200906 /nfs/dbraw/zinc/20/09/06/975200906.db2.gz 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ZINC001592876881 979742409 /nfs/dbraw/zinc/74/24/09/979742409.db2.gz FVUZOAUSXIMKBU-AWEZNQCLSA-N -1 0 324.424 3.920 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC000864154526 979765904 /nfs/dbraw/zinc/76/59/04/979765904.db2.gz KCZBVHVVPCBGPC-INIZCTEOSA-N -1 0 315.413 3.736 20 0 DHADRM CSCCCCCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000864158426 979771056 /nfs/dbraw/zinc/77/10/56/979771056.db2.gz KYJMGISHJXVWJB-UHFFFAOYSA-N -1 0 321.442 3.541 20 0 DHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592891852 979785087 /nfs/dbraw/zinc/78/50/87/979785087.db2.gz RYQRBIIKCZKFKU-LLVKDONJSA-N -1 0 317.772 3.856 20 0 DHADRM C[C@@H]1CC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@@H](C)C1 ZINC000864177570 979821929 /nfs/dbraw/zinc/82/19/29/979821929.db2.gz OQVGRPZUVIDDKD-UWVGGRQHSA-N -1 0 309.793 3.593 20 0 DHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC000864188778 979837187 /nfs/dbraw/zinc/83/71/87/979837187.db2.gz VEADNOQPDJTACO-QAGHZCBJSA-N -1 0 321.804 3.737 20 0 DHADRM O=C(C=C(C1CC1)C1CC1)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864189303 979839552 /nfs/dbraw/zinc/83/95/52/979839552.db2.gz MNTMQIPKWLHFTA-DLBZAZTESA-N -1 0 311.381 3.560 20 0 DHADRM C[C@@H](Cc1nnc(NCc2ccc(C(=O)[O-])o2)o1)CC(C)(C)C ZINC001592912871 979881990 /nfs/dbraw/zinc/88/19/90/979881990.db2.gz OAAYYMHZONHUBI-JTQLQIEISA-N -1 0 321.377 3.588 20 0 DHADRM CC(C)CO[C@@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225859 979911147 /nfs/dbraw/zinc/91/11/47/979911147.db2.gz HOPUFSQDURYORL-LBPRGKRZSA-N -1 0 315.369 3.538 20 0 DHADRM CCCCO[C@@H](C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225999 979912120 /nfs/dbraw/zinc/91/21/20/979912120.db2.gz XXPPAQQAWVZGSW-LBPRGKRZSA-N -1 0 315.369 3.682 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595210356 979983322 /nfs/dbraw/zinc/98/33/22/979983322.db2.gz DPQAUQWEWUBEML-OAHLLOKOSA-N -1 0 323.392 3.543 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595210448 979984047 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CSc1ccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)cc1C(=O)[O-] ZINC000899541219 980230170 /nfs/dbraw/zinc/23/01/70/980230170.db2.gz VEYVLHNTQVJTRO-MPPDQPJWSA-N -1 0 319.426 3.727 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@@H]1CC1(C)C ZINC001595256758 980239182 /nfs/dbraw/zinc/23/91/82/980239182.db2.gz HLCLDAFMPVXKLT-KBPBESRZSA-N -1 0 304.390 3.639 20 0 DHADRM CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cc(C)ccc1C ZINC001595258994 980260282 /nfs/dbraw/zinc/26/02/82/980260282.db2.gz IQLBFXWUDVSWAN-ZMSDIMECSA-N -1 0 317.429 3.762 20 0 DHADRM CC[C@](NC(=O)c1cccc(C2CC2)c1)(C(=O)[O-])c1ccccc1 ZINC001595270824 980287983 /nfs/dbraw/zinc/28/79/83/980287983.db2.gz SKRKAFUWGXKVBV-HXUWFJFHSA-N -1 0 323.392 3.684 20 0 DHADRM CC[C@](NC(=O)c1sccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595276148 980299071 /nfs/dbraw/zinc/29/90/71/980299071.db2.gz DHPFDDJMAWKSDP-OAHLLOKOSA-N -1 0 323.801 3.521 20 0 DHADRM Cn1nc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c2ccccc21 ZINC000901513054 980329112 /nfs/dbraw/zinc/32/91/12/980329112.db2.gz RDZPIUXEEXMPPD-UHFFFAOYSA-N -1 0 323.396 3.548 20 0 DHADRM CO[C@@H](CNc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000901514145 980330388 /nfs/dbraw/zinc/33/03/88/980330388.db2.gz ROKRCWROOXPIGD-INIZCTEOSA-N -1 0 305.418 3.666 20 0 DHADRM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000901514442 980331916 /nfs/dbraw/zinc/33/19/16/980331916.db2.gz GVDLLELCBYRHJA-MRXNPFEDSA-N -1 0 323.751 3.599 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2scnc2C2CC2)C(=O)[O-])c1 ZINC000901538608 980366264 /nfs/dbraw/zinc/36/62/64/980366264.db2.gz ZDFBHODUIRHJBD-MRXNPFEDSA-N -1 0 316.426 3.553 20 0 DHADRM C[C@H](Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCSCC1 ZINC000901540577 980368698 /nfs/dbraw/zinc/36/86/98/980368698.db2.gz PJYRYCQARHTFCL-JTQLQIEISA-N -1 0 304.415 3.810 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cnc(C2CC2)o1 ZINC000901606995 980402828 /nfs/dbraw/zinc/40/28/28/980402828.db2.gz KHOKBXAMBONJIM-UHFFFAOYSA-N -1 0 316.357 3.650 20 0 DHADRM CO[C@H](c1ccccc1)[C@H](C)Nc1ccc(CCC(=O)[O-])cc1 ZINC000901639904 980420935 /nfs/dbraw/zinc/42/09/35/980420935.db2.gz OHJXPRITDSAJJC-LIRRHRJNSA-N -1 0 313.397 3.892 20 0 DHADRM C[C@H](Cc1ccc(NC[C@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC000901737110 980471313 /nfs/dbraw/zinc/47/13/13/980471313.db2.gz XXUSULPJQURWRY-MWLCHTKSSA-N -1 0 302.201 3.556 20 0 DHADRM CC[C@H](Nc1nc(C(=O)[O-])c(C)s1)c1cc(F)ccc1F ZINC001595322888 980517307 /nfs/dbraw/zinc/51/73/07/980517307.db2.gz NCXBQYILGXRRKV-NSHDSACASA-N -1 0 312.341 3.991 20 0 DHADRM CC[C@@H](Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595323154 980520463 /nfs/dbraw/zinc/52/04/63/980520463.db2.gz RSEMYGOHZZUOHY-CQSZACIVSA-N -1 0 321.808 3.919 20 0 DHADRM COc1ccc(OC)c(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000901818537 980538357 /nfs/dbraw/zinc/53/83/57/980538357.db2.gz YHVQXQMGXJRVFW-GFCCVEGCSA-N -1 0 315.369 3.504 20 0 DHADRM Cc1cc([C@@H](NCc2cnc(C(C)C)s2)C(=O)[O-])ccc1F ZINC000901847131 980570211 /nfs/dbraw/zinc/57/02/11/980570211.db2.gz MJBUDXPBJNGECU-CQSZACIVSA-N -1 0 322.405 3.630 20 0 DHADRM CC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595334541 980584758 /nfs/dbraw/zinc/58/47/58/980584758.db2.gz GGWDAYLXCLRPCH-SBMIAAHKSA-N -1 0 317.168 3.503 20 0 DHADRM Cc1cc(CN[C@@H](CCc2ccccc2)C(F)F)oc1C(=O)[O-] ZINC000901938870 980641181 /nfs/dbraw/zinc/64/11/81/980641181.db2.gz QEEYBYRCYPVWCB-AWEZNQCLSA-N -1 0 323.339 3.642 20 0 DHADRM Cc1cc(CNCc2ccccc2OCC(C)C)oc1C(=O)[O-] ZINC000901940372 980642024 /nfs/dbraw/zinc/64/20/24/980642024.db2.gz VRRYATQESMADPN-UHFFFAOYSA-N -1 0 317.385 3.611 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Cl)c1F ZINC001595347999 980643073 /nfs/dbraw/zinc/64/30/73/980643073.db2.gz RLWTZSNPVKUARN-PTRXPTGYSA-N -1 0 314.740 3.584 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1Cc1cnc(C2CCCC2)s1 ZINC000902035105 980706460 /nfs/dbraw/zinc/70/64/60/980706460.db2.gz OBKCYFHOEGYILQ-AWEZNQCLSA-N -1 0 308.447 3.630 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595356011 980707967 /nfs/dbraw/zinc/70/79/67/980707967.db2.gz WCDQROFCRASPBD-WCQYABFASA-N -1 0 324.373 3.628 20 0 DHADRM CCc1cnc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000902047583 980713321 /nfs/dbraw/zinc/71/33/21/980713321.db2.gz UBQUYSAAMYGCEU-ZFWWWQNUSA-N -1 0 322.474 3.561 20 0 DHADRM CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000902058423 980715788 /nfs/dbraw/zinc/71/57/88/980715788.db2.gz UERAIXYHEPYOOX-UHFFFAOYSA-N -1 0 301.308 3.636 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(-c2csnn2)cc1 ZINC000902123735 980745449 /nfs/dbraw/zinc/74/54/49/980745449.db2.gz MMVSBKGQFCLIMD-MPKXVKKWSA-N -1 0 317.414 3.506 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001595363330 980780907 /nfs/dbraw/zinc/78/09/07/980780907.db2.gz FIUPVJUCAPHOEN-AWEZNQCLSA-N -1 0 324.423 3.512 20 0 DHADRM CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC001595363863 980787688 /nfs/dbraw/zinc/78/76/88/980787688.db2.gz KUQRNRDKQREWMR-HNNXBMFYSA-N -1 0 317.385 3.878 20 0 DHADRM CCC1(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)CCC(F)(F)CC1 ZINC001595369156 980835669 /nfs/dbraw/zinc/83/56/69/980835669.db2.gz RUXBQEGNVNUJCA-NEPJUHHUSA-N -1 0 316.344 3.555 20 0 DHADRM Cc1oc(CNc2ccc(O[C@@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000902342864 980841930 /nfs/dbraw/zinc/84/19/30/980841930.db2.gz WJEDASOXPQLYCR-CQSZACIVSA-N -1 0 323.295 3.685 20 0 DHADRM CCC1(C)CN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001595370947 980845370 /nfs/dbraw/zinc/84/53/70/980845370.db2.gz UYVGPNYEBBUUHB-UHFFFAOYSA-N -1 0 318.398 3.863 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)CC1CC(c2ccccc2)C1 ZINC000902373623 980860470 /nfs/dbraw/zinc/86/04/70/980860470.db2.gz RANWCLBRBOVLPV-UHFFFAOYSA-N -1 0 323.392 3.585 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)CC[C@H]1CCc2ccccc21 ZINC000902378427 980861683 /nfs/dbraw/zinc/86/16/83/980861683.db2.gz NUFJPGSGRLWEBP-OAHLLOKOSA-N -1 0 323.392 3.511 20 0 DHADRM CCC1(CC)[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@H]1OC ZINC001595373177 980870140 /nfs/dbraw/zinc/87/01/40/980870140.db2.gz DRPBESYGKVXYNO-YLFCFFPRSA-N -1 0 317.429 3.880 20 0 DHADRM CCc1oc(CNc2cc(F)c(OC)cc2C)cc1C(=O)[O-] ZINC000902425115 980880917 /nfs/dbraw/zinc/88/09/17/980880917.db2.gz ZVPMEBWEQDAETO-UHFFFAOYSA-N -1 0 307.321 3.608 20 0 DHADRM CCC1(CNC(=O)CCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001595377438 980910413 /nfs/dbraw/zinc/91/04/13/980910413.db2.gz BHPWPIBESJJCRK-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM CCC1(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC001595379484 980918257 /nfs/dbraw/zinc/91/82/57/980918257.db2.gz HOHCLHMCZCQLNR-UHFFFAOYSA-N -1 0 305.403 3.608 20 0 DHADRM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1cc(F)ccc1OC ZINC000902573299 980939146 /nfs/dbraw/zinc/93/91/46/980939146.db2.gz XPMRJRXPHXGSOS-CQSZACIVSA-N -1 0 321.348 3.675 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903887530 981021472 /nfs/dbraw/zinc/02/14/72/981021472.db2.gz USKAAXOBBPZKMV-LLVKDONJSA-N -1 0 304.777 3.626 20 0 DHADRM CCC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001595415275 981026960 /nfs/dbraw/zinc/02/69/60/981026960.db2.gz BWMWXODCFKLSTP-UHFFFAOYSA-N -1 0 310.419 3.784 20 0 DHADRM O=C([O-])c1c(Cl)ccc(Nc2cc(O)c(F)c(F)c2)c1F ZINC001215697849 1014703115 /nfs/dbraw/zinc/70/31/15/1014703115.db2.gz JSXDQJJDTNDVIR-UHFFFAOYSA-N -1 0 317.650 3.905 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595435687 981065514 /nfs/dbraw/zinc/06/55/14/981065514.db2.gz LTBLENDZCHLCLO-SCZZXKLOSA-N -1 0 313.756 3.942 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595440161 981076145 /nfs/dbraw/zinc/07/61/45/981076145.db2.gz HOJHKCUUBZAQEQ-DZGCQCFKSA-N -1 0 303.402 3.639 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595440814 981077602 /nfs/dbraw/zinc/07/76/02/981077602.db2.gz LKOQSBSVYVEARB-GXSJLCMTSA-N -1 0 310.781 3.588 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595440818 981077755 /nfs/dbraw/zinc/07/77/55/981077755.db2.gz LKWHXXSWNGNVCJ-GDBMZVCRSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001595441224 981078856 /nfs/dbraw/zinc/07/88/56/981078856.db2.gz OTCYPHFKHQWXAV-GOEBONIOSA-N -1 0 317.429 3.650 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ccc(Cl)cn2)cc1 ZINC000904026994 981081610 /nfs/dbraw/zinc/08/16/10/981081610.db2.gz RMNQKDYJNGYBPW-LSDHHAIUSA-N -1 0 302.761 3.535 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595443919 981084413 /nfs/dbraw/zinc/08/44/13/981084413.db2.gz FEEHZAQPDCWQHX-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC000905115433 981088819 /nfs/dbraw/zinc/08/88/19/981088819.db2.gz DTDVGLXWXNOKTJ-VUCTXSBTSA-N -1 0 315.413 3.632 20 0 DHADRM CCC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000905726449 981124835 /nfs/dbraw/zinc/12/48/35/981124835.db2.gz PXRNZIMVYMEYLI-INIZCTEOSA-N -1 0 320.339 3.689 20 0 DHADRM CCC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000905726450 981124915 /nfs/dbraw/zinc/12/49/15/981124915.db2.gz PXRNZIMVYMEYLI-MRXNPFEDSA-N -1 0 320.339 3.689 20 0 DHADRM CC[C@@H]1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)[C@@H]1C ZINC001595460098 981141681 /nfs/dbraw/zinc/14/16/81/981141681.db2.gz QZMPTPQNFUNWOA-GHMZBOCLSA-N -1 0 315.373 3.518 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001595468237 981160468 /nfs/dbraw/zinc/16/04/68/981160468.db2.gz QIZARZSTOFDMMG-BZUAXINKSA-N -1 0 315.413 3.635 20 0 DHADRM O=C([O-])CCCCNC(=O)c1csc(C2CCCCC2)c1 ZINC000907586590 981197549 /nfs/dbraw/zinc/19/75/49/981197549.db2.gz PGDSOZGVPVKAGQ-UHFFFAOYSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)nc1C(=O)[O-] ZINC000907768608 981217086 /nfs/dbraw/zinc/21/70/86/981217086.db2.gz MLDQFGFQJSVVBH-XWLWVQCSSA-N -1 0 322.430 3.585 20 0 DHADRM CC[C@@H]1CN(CCC(C)(C)C(=O)[O-])c2cccc(Cl)c2O1 ZINC001595488777 981236845 /nfs/dbraw/zinc/23/68/45/981236845.db2.gz RIPMKXPWTMXIPG-LLVKDONJSA-N -1 0 311.809 3.818 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)c2ccsc2Cl)CCC1 ZINC000908338248 981302917 /nfs/dbraw/zinc/30/29/17/981302917.db2.gz HUTOSUBAUAUKTA-UHFFFAOYSA-N -1 0 315.822 3.557 20 0 DHADRM Cc1ccccc1[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000908699845 981341480 /nfs/dbraw/zinc/34/14/80/981341480.db2.gz VMLFEXSUFCQIJJ-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM CCCC(=CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)CCC ZINC001595521748 981341876 /nfs/dbraw/zinc/34/18/76/981341876.db2.gz ACNRIJFEXXXFBE-GOSISDBHSA-N -1 0 303.402 3.629 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000908759047 981355719 /nfs/dbraw/zinc/35/57/19/981355719.db2.gz WUGVTSRQVLQDJN-MRXNPFEDSA-N -1 0 319.401 3.585 20 0 DHADRM CCC/C(C)=C/C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001595564853 981453088 /nfs/dbraw/zinc/45/30/88/981453088.db2.gz ALDHUZSEMGHUTI-LHNRBYRGSA-N -1 0 318.417 3.523 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000909298406 981465004 /nfs/dbraw/zinc/46/50/04/981465004.db2.gz DDNRWBNLZFPBBB-HXUWFJFHSA-N -1 0 323.392 3.599 20 0 DHADRM CCC[C@H](C)CCCN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001595570333 981472628 /nfs/dbraw/zinc/47/26/28/981472628.db2.gz BAKGTRHSVUBOFT-LRDDRELGSA-N -1 0 309.381 3.694 20 0 DHADRM CCC[C@H](C)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001595570501 981473813 /nfs/dbraw/zinc/47/38/13/981473813.db2.gz DEIBZCSQGLIRHM-JTQLQIEISA-N -1 0 318.398 3.883 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1 ZINC000909508182 981516509 /nfs/dbraw/zinc/51/65/09/981516509.db2.gz ZSWNUNZQKIDIIL-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ncsc1C(C)C ZINC000909513847 981521567 /nfs/dbraw/zinc/52/15/67/981521567.db2.gz VGZSYNZWUNOQEC-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCC[C@H](CC)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595585878 981527287 /nfs/dbraw/zinc/52/72/87/981527287.db2.gz HPPATTOQISMVMO-BPUTZDHNSA-N -1 0 303.402 3.630 20 0 DHADRM Cc1oc2ccccc2c1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000909524371 981529907 /nfs/dbraw/zinc/52/99/07/981529907.db2.gz WAKUVSCZMHIZLX-UHFFFAOYSA-N -1 0 315.369 3.506 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595586352 981532050 /nfs/dbraw/zinc/53/20/50/981532050.db2.gz XBGWKFFWEREEOA-GUYCJALGSA-N -1 0 313.397 3.908 20 0 DHADRM CC(C)(CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])CC(F)(F)F ZINC000909529409 981533143 /nfs/dbraw/zinc/53/31/43/981533143.db2.gz NQXBRSWMJYPZGP-HZMBPMFUSA-N -1 0 323.355 3.505 20 0 DHADRM CCC[C@@H](CC)S[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595587892 981544843 /nfs/dbraw/zinc/54/48/43/981544843.db2.gz ZLQBXFGDNFONTC-KGLIPLIRSA-N -1 0 310.415 3.911 20 0 DHADRM CC(C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)=C1CCC1 ZINC000909697720 981573789 /nfs/dbraw/zinc/57/37/89/981573789.db2.gz ZVIRSGMMPDSPGT-SFHVURJKSA-N -1 0 323.392 3.972 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001594741101 981609499 /nfs/dbraw/zinc/60/94/99/981609499.db2.gz UUMLRGNRSAXTEQ-CVEARBPZSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001594742785 981619230 /nfs/dbraw/zinc/61/92/30/981619230.db2.gz IDICILSPZJONAZ-WCQYABFASA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001594743484 981624047 /nfs/dbraw/zinc/62/40/47/981624047.db2.gz SOXGGTQAEILHSD-DLBZAZTESA-N -1 0 317.429 3.974 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001594746690 981634453 /nfs/dbraw/zinc/63/44/53/981634453.db2.gz ABXOWHHJKQATDF-IAGOWNOFSA-N -1 0 319.445 3.809 20 0 DHADRM CCCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CCC1 ZINC001595615543 981636599 /nfs/dbraw/zinc/63/65/99/981636599.db2.gz CYJJFDSNWLCBJX-UHFFFAOYSA-N -1 0 311.765 3.653 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1 ZINC001595615539 981636759 /nfs/dbraw/zinc/63/67/59/981636759.db2.gz CWTXMWIRHGCAHW-GOSISDBHSA-N -1 0 303.402 3.736 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909831779 981649578 /nfs/dbraw/zinc/64/95/78/981649578.db2.gz ALNZGCCUCDBEAJ-UONOGXRCSA-N -1 0 311.381 3.925 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC001594759769 981689059 /nfs/dbraw/zinc/68/90/59/981689059.db2.gz QTMIUECTEGEABH-LLVKDONJSA-N -1 0 317.307 3.576 20 0 DHADRM CC[C@@H](CNC(=O)c1ccccc1-c1ccccc1C)C(=O)[O-] ZINC000909870522 981692890 /nfs/dbraw/zinc/69/28/90/981692890.db2.gz HLGLMPMBCASUDF-AWEZNQCLSA-N -1 0 311.381 3.503 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595622417 981709650 /nfs/dbraw/zinc/70/96/50/981709650.db2.gz SQYOPSUFTPSJSS-WINGESFGSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001594764621 981710000 /nfs/dbraw/zinc/71/00/00/981710000.db2.gz QIAAGWSTEMDQGT-CZUORRHYSA-N -1 0 303.402 3.709 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595622634 981712554 /nfs/dbraw/zinc/71/25/54/981712554.db2.gz USFRUEOEQNVEBI-ZJUUUORDSA-N -1 0 311.328 3.818 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595622843 981714939 /nfs/dbraw/zinc/71/49/39/981714939.db2.gz WHUUAZGLPPFIOB-DOTOQJQBSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@@H]1CCc2ccccc2N1C(=O)c1cncc(C(=O)[O-])c1 ZINC001595623156 981718148 /nfs/dbraw/zinc/71/81/48/981718148.db2.gz DSIFFROOLNPPCE-MRXNPFEDSA-N -1 0 324.380 3.542 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 ZINC001594768158 981727855 /nfs/dbraw/zinc/72/78/55/981727855.db2.gz PFYXHMMDFQBYBO-BMFZPTHFSA-N -1 0 303.402 3.565 20 0 DHADRM CCC/C=C\C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595624315 981731229 /nfs/dbraw/zinc/73/12/29/981731229.db2.gz SDYXTKFEGDRYEB-YVMONPNESA-N -1 0 316.401 3.670 20 0 DHADRM CCC/C=C/C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001595624541 981733881 /nfs/dbraw/zinc/73/38/81/981733881.db2.gz YJNQMOQOISVOJJ-SXIQUOTHSA-N -1 0 311.381 3.828 20 0 DHADRM CC[C@@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC001594776105 981764408 /nfs/dbraw/zinc/76/44/08/981764408.db2.gz RGIXHGUVXVXTKF-CYBMUJFWSA-N -1 0 322.357 3.822 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)CCC(C)(C)C ZINC001594777627 981769175 /nfs/dbraw/zinc/76/91/75/981769175.db2.gz CEWGLFXRQICVJV-UGSOOPFHSA-N -1 0 311.466 3.941 20 0 DHADRM CCCC[C@@H](C(=O)Nc1ncc(C(=O)[O-])cc1Cl)C(C)C ZINC001595627779 981776919 /nfs/dbraw/zinc/77/69/19/981776919.db2.gz SQEGKOUTQAEHGB-LLVKDONJSA-N -1 0 312.797 3.834 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCCCC1(C)C ZINC001594779467 981781396 /nfs/dbraw/zinc/78/13/96/981781396.db2.gz ACRGRBJXSBNCBV-KDOFPFPSSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC(C)(C)CC(F)F ZINC001594781532 981787420 /nfs/dbraw/zinc/78/74/20/981787420.db2.gz KMFQFBPMJBRAIB-MRXNPFEDSA-N -1 0 319.392 3.550 20 0 DHADRM CCCC[C@@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001595628820 981792235 /nfs/dbraw/zinc/79/22/35/981792235.db2.gz NJTJWQMKLFHLNU-JSGCOSHPSA-N -1 0 324.490 3.733 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000910255014 981831380 /nfs/dbraw/zinc/83/13/80/981831380.db2.gz WGGJJQOHJQRIIB-BBRMVZONSA-N -1 0 303.402 3.584 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595632348 981853149 /nfs/dbraw/zinc/85/31/49/981853149.db2.gz WNLSDUSJNBSAED-ZDUSSCGKSA-N -1 0 307.390 3.564 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001594797280 981886177 /nfs/dbraw/zinc/88/61/77/981886177.db2.gz XAPHKEMAIPVPJU-ZOJXTTQQSA-N -1 0 323.477 3.942 20 0 DHADRM CCC(C)(C)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594801284 981896924 /nfs/dbraw/zinc/89/69/24/981896924.db2.gz JNDCEPQTORMBLR-AWEZNQCLSA-N -1 0 320.433 3.574 20 0 DHADRM CCCC[C@@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001595636272 981914276 /nfs/dbraw/zinc/91/42/76/981914276.db2.gz JLPLMQNWTJYMRW-GFCCVEGCSA-N -1 0 322.792 3.503 20 0 DHADRM CCCC[C@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001595637656 981933950 /nfs/dbraw/zinc/93/39/50/981933950.db2.gz NVBUQOHCMCQBLR-LBPRGKRZSA-N -1 0 324.446 3.564 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001594814453 981939129 /nfs/dbraw/zinc/93/91/29/981939129.db2.gz ONTFDXKRRFWAEM-HNNXBMFYSA-N -1 0 319.445 3.993 20 0 DHADRM CCC(C)(C)c1ccc(NC(=S)NCCCC(=O)[O-])cc1 ZINC001594815706 981945430 /nfs/dbraw/zinc/94/54/30/981945430.db2.gz LBIVNOJNZSQDCU-UHFFFAOYSA-N -1 0 308.447 3.525 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(CC(C)C)cc1 ZINC001594819411 981965164 /nfs/dbraw/zinc/96/51/64/981965164.db2.gz ZGUUBFLXIONVPE-IBGZPJMESA-N -1 0 319.445 3.577 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000910561885 981991881 /nfs/dbraw/zinc/99/18/81/981991881.db2.gz YHYLJZRIIULRQZ-KGLIPLIRSA-N -1 0 323.392 3.970 20 0 DHADRM CCCC[C@@H](Nc1ccn([C@H](C)c2ccccc2)n1)C(=O)[O-] ZINC001595646775 982001653 /nfs/dbraw/zinc/00/16/53/982001653.db2.gz UJYXEOQJUKZOKM-UKRRQHHQSA-N -1 0 301.390 3.548 20 0 DHADRM CCCC[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC001595651050 982016795 /nfs/dbraw/zinc/01/67/95/982016795.db2.gz QGDVOFNIEHRQPU-AWEZNQCLSA-N -1 0 323.776 3.550 20 0 DHADRM CCCCN(C(=O)C[C@H](C)CC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000910623781 982032251 /nfs/dbraw/zinc/03/22/51/982032251.db2.gz LFHMKGCITMPDLH-JSGCOSHPSA-N -1 0 309.406 3.779 20 0 DHADRM CCCC[C@H](SCc1cc(C(=O)[O-])oc1CC)C(=O)OC ZINC001595655953 982049077 /nfs/dbraw/zinc/04/90/77/982049077.db2.gz SDODMPRTHSVJEI-ZDUSSCGKSA-N -1 0 314.403 3.505 20 0 DHADRM CCCC[C@@H](SCCCc1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595656174 982051108 /nfs/dbraw/zinc/05/11/08/982051108.db2.gz VLMDIOZDEQYWRM-CQSZACIVSA-N -1 0 306.431 3.872 20 0 DHADRM CCCC[C@@H](SCc1noc(-c2cccs2)n1)C(=O)[O-] ZINC001595657359 982061982 /nfs/dbraw/zinc/06/19/82/982061982.db2.gz MGWMNJLITXPIRU-SNVBAGLBSA-N -1 0 312.416 3.675 20 0 DHADRM CCCC[C@H](SCc1csc([C@H](C)OC)n1)C(=O)[O-] ZINC001595657686 982065752 /nfs/dbraw/zinc/06/57/52/982065752.db2.gz QCENZCXRUBUUGX-ONGXEEELSA-N -1 0 303.449 3.727 20 0 DHADRM CC[C@@](C)(NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001594843022 982066002 /nfs/dbraw/zinc/06/60/02/982066002.db2.gz WRYJELGIGVXZCW-GOSISDBHSA-N -1 0 315.344 3.579 20 0 DHADRM CCC(=CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910718861 982080705 /nfs/dbraw/zinc/08/07/05/982080705.db2.gz OSYBZYOVRJLNHS-LBPRGKRZSA-N -1 0 322.430 3.560 20 0 DHADRM CCCCCC(C)(C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001595662789 982080785 /nfs/dbraw/zinc/08/07/85/982080785.db2.gz LIEHZBRUCOQSJA-IBGZPJMESA-N -1 0 319.445 3.752 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910734357 982096738 /nfs/dbraw/zinc/09/67/38/982096738.db2.gz XLFCQQKZTZXGOU-CMPLNLGQSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595666273 982098556 /nfs/dbraw/zinc/09/85/56/982098556.db2.gz HMRREFNWBSLGSJ-NSHDSACASA-N -1 0 307.390 3.944 20 0 DHADRM CCCCC[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595666837 982108190 /nfs/dbraw/zinc/10/81/90/982108190.db2.gz ULLULTUMCIZMTR-UHOFOFEASA-N -1 0 318.417 3.965 20 0 DHADRM CCCCC[C@H](CC)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595668552 982109855 /nfs/dbraw/zinc/10/98/55/982109855.db2.gz AYIVCNZOATWMBJ-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595669269 982112997 /nfs/dbraw/zinc/11/29/97/982112997.db2.gz GXRPHPYCVPQDFT-BXUZGUMPSA-N -1 0 311.809 3.593 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910808809 982129902 /nfs/dbraw/zinc/12/99/02/982129902.db2.gz CACVVLWZLPEOLE-UYSNPLJNSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCC[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595673394 982142108 /nfs/dbraw/zinc/14/21/08/982142108.db2.gz WOFBGJJKKRESSF-MRXNPFEDSA-N -1 0 319.445 3.676 20 0 DHADRM CCCCC[C@@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)[O-] ZINC001595673452 982142927 /nfs/dbraw/zinc/14/29/27/982142927.db2.gz XRIATCDEZAKNBR-CYBMUJFWSA-N -1 0 313.781 3.600 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2c(o1)c(F)ccc2C)C(=O)[O-] ZINC001595676538 982147971 /nfs/dbraw/zinc/14/79/71/982147971.db2.gz MFTVCKQXMSCHPT-ZDUSSCGKSA-N -1 0 321.348 3.644 20 0 DHADRM CSc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1C(=O)[O-] ZINC000910948787 982173326 /nfs/dbraw/zinc/17/33/26/982173326.db2.gz AHMQCKDWDFBSPZ-UHFFFAOYSA-N -1 0 317.410 3.792 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001594873414 982193838 /nfs/dbraw/zinc/19/38/38/982193838.db2.gz MMBNULMSAYPNTG-BLLLJJGKSA-N -1 0 316.353 3.851 20 0 DHADRM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873567 982194903 /nfs/dbraw/zinc/19/49/03/982194903.db2.gz NUCAACNBVSVETE-BZNIZROVSA-N -1 0 320.820 3.610 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001594873849 982196887 /nfs/dbraw/zinc/19/68/87/982196887.db2.gz QHSCKDLFVUJTQQ-QWHCGFSZSA-N -1 0 303.402 3.736 20 0 DHADRM CC[C@H](C)[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC001594873994 982197590 /nfs/dbraw/zinc/19/75/90/982197590.db2.gz RTXBHJRSOROMJM-LRDDRELGSA-N -1 0 316.353 3.851 20 0 DHADRM CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594874685 982202625 /nfs/dbraw/zinc/20/26/25/982202625.db2.gz WWUFCQDSMOFCRV-KGLIPLIRSA-N -1 0 305.418 3.561 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595694486 982212427 /nfs/dbraw/zinc/21/24/27/982212427.db2.gz CFWKXIUCYLEAIN-INIZCTEOSA-N -1 0 307.394 3.500 20 0 DHADRM CCCCCCC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595694508 982212673 /nfs/dbraw/zinc/21/26/73/982212673.db2.gz CYOAWPHGTSUVNN-OAHLLOKOSA-N -1 0 317.385 3.515 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001595694824 982214223 /nfs/dbraw/zinc/21/42/23/982214223.db2.gz HWWWKBXLHJZDEH-GOSISDBHSA-N -1 0 320.433 3.783 20 0 DHADRM CCCCCCC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595695174 982217191 /nfs/dbraw/zinc/21/71/91/982217191.db2.gz QAJPXVFNKAGOBH-LLVKDONJSA-N -1 0 311.353 3.587 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595695545 982219837 /nfs/dbraw/zinc/21/98/37/982219837.db2.gz WWCZVIKQUYWILT-CYBMUJFWSA-N -1 0 309.381 3.850 20 0 DHADRM CCCC[C@H](CC)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835248 1014817426 /nfs/dbraw/zinc/81/74/26/1014817426.db2.gz FXRYAYOIGQFAPD-JTQLQIEISA-N -1 0 309.460 3.843 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001594880822 982231501 /nfs/dbraw/zinc/23/15/01/982231501.db2.gz FIMPZAWIETXFFP-NWDGAFQWSA-N -1 0 307.390 3.793 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001594881272 982237738 /nfs/dbraw/zinc/23/77/38/982237738.db2.gz OESLQZFXDCVAPB-WCBMZHEXSA-N -1 0 320.414 3.924 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594881583 982241599 /nfs/dbraw/zinc/24/15/99/982241599.db2.gz SGKLNYDQYKHNDJ-OZVIIMIRSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594881673 982242535 /nfs/dbraw/zinc/24/25/35/982242535.db2.gz SVCFAZKQIFAAIT-NXEZZACHSA-N -1 0 309.431 3.946 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594887761 982275402 /nfs/dbraw/zinc/27/54/02/982275402.db2.gz UPPYUKTWHIRLQH-JDZPGQNUSA-N -1 0 317.429 3.829 20 0 DHADRM CCCCCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595712134 982303705 /nfs/dbraw/zinc/30/37/05/982303705.db2.gz HZVRGNHRDRNFMQ-HNNXBMFYSA-N -1 0 320.433 3.718 20 0 DHADRM CCCCN(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595733515 982369512 /nfs/dbraw/zinc/36/95/12/982369512.db2.gz AYYIHJAUCOEVJF-UHFFFAOYSA-N -1 0 300.358 3.802 20 0 DHADRM CCCCO[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1(C)C ZINC001595770825 982512828 /nfs/dbraw/zinc/51/28/28/982512828.db2.gz OEPIIXVOWLSMHJ-CVEARBPZSA-N -1 0 321.417 3.789 20 0 DHADRM CCCCO[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])cc2OC)C1(C)C ZINC001595770828 982513384 /nfs/dbraw/zinc/51/33/84/982513384.db2.gz OEPIIXVOWLSMHJ-JKSUJKDBSA-N -1 0 321.417 3.789 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc(C)n1C1CCCCC1)C(=O)[O-] ZINC001594930138 982550213 /nfs/dbraw/zinc/55/02/13/982550213.db2.gz VSDPYGZLPOYMCQ-GWCFXTLKSA-N -1 0 311.451 3.683 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000911651244 982584208 /nfs/dbraw/zinc/58/42/08/982584208.db2.gz NGULPKKJGKKZQJ-AWEZNQCLSA-N -1 0 323.392 3.566 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001595788845 982585815 /nfs/dbraw/zinc/58/58/15/982585815.db2.gz COQJTIKDFSTJJJ-VIFPVBQESA-N -1 0 315.460 3.869 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001594940208 982612933 /nfs/dbraw/zinc/61/29/33/982612933.db2.gz YZNLAJKXOSBYTH-USXIJHARSA-N -1 0 319.445 3.822 20 0 DHADRM Cc1cscc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738071 982620663 /nfs/dbraw/zinc/62/06/63/982620663.db2.gz NZNJHJZFURAVSQ-UHFFFAOYSA-N -1 0 319.382 3.794 20 0 DHADRM CC(C)Oc1c(NC(=O)/C=C2/CC[C@@H](C)C2)cccc1C(=O)[O-] ZINC000911738244 982620807 /nfs/dbraw/zinc/62/08/07/982620807.db2.gz QJLFNXUOBJPREF-YGYTWAPGSA-N -1 0 317.385 3.857 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001594943061 982621572 /nfs/dbraw/zinc/62/15/72/982621572.db2.gz UKTCBABHCAMZLG-GUYCJALGSA-N -1 0 317.429 3.502 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c(C)o1 ZINC000911739397 982622182 /nfs/dbraw/zinc/62/21/82/982622182.db2.gz QRJPMLAUGBVYPN-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594943124 982622462 /nfs/dbraw/zinc/62/24/62/982622462.db2.gz UZPZVXRKZSVQMC-CJNGLKHVSA-N -1 0 319.445 3.532 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC001594945710 982634773 /nfs/dbraw/zinc/63/47/73/982634773.db2.gz GILSPMUJBIPLTC-LRDDRELGSA-N -1 0 315.369 3.566 20 0 DHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595816066 982670248 /nfs/dbraw/zinc/67/02/48/982670248.db2.gz GFLDAWOMRLROSM-CHWSQXEVSA-N -1 0 323.820 3.974 20 0 DHADRM CCCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595817018 982677476 /nfs/dbraw/zinc/67/74/76/982677476.db2.gz OEGCMCAKBKPOQJ-LFAOLKIESA-N -1 0 317.429 3.925 20 0 DHADRM CCCN(C(=O)/C=C(/CC)c1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001595817021 982677564 /nfs/dbraw/zinc/67/75/64/982677564.db2.gz OFTSUHTWEOKTEV-KLDSGFLGSA-N -1 0 323.820 3.845 20 0 DHADRM CC[C@@H](C)C[C@H](Nc1cc(C2CC2)nc(C2CC2)n1)C(=O)[O-] ZINC001594953456 982680154 /nfs/dbraw/zinc/68/01/54/982680154.db2.gz SUHOKAHRKGUOTN-YGRLFVJLSA-N -1 0 303.406 3.533 20 0 DHADRM CCCN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@H](C)C(=O)[O-] ZINC001595817631 982682067 /nfs/dbraw/zinc/68/20/67/982682067.db2.gz WATSKLLYVVSAQP-WLYUNCDWSA-N -1 0 311.466 3.941 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC000920819763 982693175 /nfs/dbraw/zinc/69/31/75/982693175.db2.gz YOSVERYYNMZOIW-VIFPVBQESA-N -1 0 303.383 3.974 20 0 DHADRM CC[C@H](C)CCCCC(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001594958424 982697806 /nfs/dbraw/zinc/69/78/06/982697806.db2.gz BJHXPXUEQWTHGV-LBPRGKRZSA-N -1 0 308.374 3.905 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594959525 982708126 /nfs/dbraw/zinc/70/81/26/982708126.db2.gz XGGUKHCMSNMYFL-HDMKZQKVSA-N -1 0 309.450 3.696 20 0 DHADRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)ccc1C ZINC000923089876 982716494 /nfs/dbraw/zinc/71/64/94/982716494.db2.gz ABUJKLGFQMWFTD-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1ccc(C)c(C)c1 ZINC000923095194 982719462 /nfs/dbraw/zinc/71/94/62/982719462.db2.gz UTFBUYQYQJBEHM-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM Cc1cnc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)o1 ZINC000443356283 1014879122 /nfs/dbraw/zinc/87/91/22/1014879122.db2.gz JAVFTJJGCPSHLZ-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM COc1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc2ccccc21 ZINC000923218992 982850443 /nfs/dbraw/zinc/85/04/43/982850443.db2.gz AICSHTGZKCAVOH-UHFFFAOYSA-N -1 0 315.369 3.678 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\C2CCCCC2)cc1 ZINC001116491165 982930700 /nfs/dbraw/zinc/93/07/00/982930700.db2.gz HDEGUPJDZPPKJS-GKUQOKNUSA-N -1 0 315.413 3.764 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2csc(C(C)C)n2)C(=O)[O-])c1 ZINC001116779952 982935030 /nfs/dbraw/zinc/93/50/30/982935030.db2.gz ISMKDBJUTOZODY-OAHLLOKOSA-N -1 0 318.442 3.799 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001595010453 982940288 /nfs/dbraw/zinc/94/02/88/982940288.db2.gz QYEPYDSUZPATCS-CYBMUJFWSA-N -1 0 315.413 3.812 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001595013402 982947604 /nfs/dbraw/zinc/94/76/04/982947604.db2.gz IHSHMSFGHJOFTL-PXAZEXFGSA-N -1 0 304.390 3.529 20 0 DHADRM Cc1coc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC001119641533 983010287 /nfs/dbraw/zinc/01/02/87/983010287.db2.gz ZFDKNMUDBBCEKX-UHFFFAOYSA-N -1 0 301.342 3.511 20 0 DHADRM CCCNc1nnc(S[C@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC001595936984 983081432 /nfs/dbraw/zinc/08/14/32/983081432.db2.gz TYMHOJIUTYJKAY-SSDOTTSWSA-N -1 0 313.404 3.505 20 0 DHADRM CCCOC1(c2noc(-c3ccc(C(=O)[O-])o3)n2)CCCCC1 ZINC001595941918 983096379 /nfs/dbraw/zinc/09/63/79/983096379.db2.gz MKZDIOGHFZHIJZ-UHFFFAOYSA-N -1 0 320.345 3.614 20 0 DHADRM CCCOc1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001595960158 983149735 /nfs/dbraw/zinc/14/97/35/983149735.db2.gz BQCUZTLPTMUBNR-UHFFFAOYSA-N -1 0 322.405 3.630 20 0 DHADRM CCCOc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1F ZINC001595966290 983171626 /nfs/dbraw/zinc/17/16/26/983171626.db2.gz GIUUWAOBZSTVKG-LLVKDONJSA-N -1 0 318.348 3.881 20 0 DHADRM CCCOc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001595969037 983187714 /nfs/dbraw/zinc/18/77/14/983187714.db2.gz KLSDRKFZHILMKB-UHFFFAOYSA-N -1 0 303.333 3.925 20 0 DHADRM O=C(Nc1c(F)cc(Cl)cc1F)c1cccc(F)c1[O-] ZINC001266747965 1014922690 /nfs/dbraw/zinc/92/26/90/1014922690.db2.gz RWZKGBHATSDDPB-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CCC[C@H](NC(=O)C1(Cc2cccs2)CCCCC1)C(=O)[O-] ZINC001596015635 983277257 /nfs/dbraw/zinc/27/72/57/983277257.db2.gz RKMRVPLLXZILMS-AWEZNQCLSA-N -1 0 323.458 3.611 20 0 DHADRM CCCc1c(C(=O)N[C@H](C)CCC=C(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596036693 983315023 /nfs/dbraw/zinc/31/50/23/983315023.db2.gz PCBLRMOIIJRURN-GFCCVEGCSA-N -1 0 320.433 3.839 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)C2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000909505317 1014937122 /nfs/dbraw/zinc/93/71/22/1014937122.db2.gz HVMCUGHFERUOON-SNVBAGLBSA-N -1 0 324.446 3.543 20 0 DHADRM CCCc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)sc1C ZINC001596053441 983354649 /nfs/dbraw/zinc/35/46/49/983354649.db2.gz RHNNGDHSEYGTMQ-UHFFFAOYSA-N -1 0 323.458 3.869 20 0 DHADRM CCCc1cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])ccc1Cl ZINC001596055179 983357672 /nfs/dbraw/zinc/35/76/72/983357672.db2.gz JFJZTFLZIPKNSP-SWLSCSKDSA-N -1 0 323.820 3.666 20 0 DHADRM CCCc1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)no1 ZINC001596056825 983361368 /nfs/dbraw/zinc/36/13/68/983361368.db2.gz HJKPKWPYYAIDAL-UHFFFAOYSA-N -1 0 324.336 3.731 20 0 DHADRM CCCc1cc(C(=O)OCc2ccoc2C(=O)[O-])sc1C ZINC001596057084 983363415 /nfs/dbraw/zinc/36/34/15/983363415.db2.gz WOIVMVSITZPAJR-UHFFFAOYSA-N -1 0 308.355 3.657 20 0 DHADRM CCCc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001596060550 983369004 /nfs/dbraw/zinc/36/90/04/983369004.db2.gz JBWUINXLRJOUGD-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CCCc1ccc([C@H](NC(=O)[C@H](CC)C(=O)[O-])C(C)C)cc1 ZINC001596062186 983370959 /nfs/dbraw/zinc/37/09/59/983370959.db2.gz ATFBKHVHKKPMSE-JKSUJKDBSA-N -1 0 305.418 3.563 20 0 DHADRM CCCc1ccc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001596068531 983382278 /nfs/dbraw/zinc/38/22/78/983382278.db2.gz JHKODAZNHFUJEE-UHFFFAOYSA-N -1 0 302.301 3.696 20 0 DHADRM CCCc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001596070651 983386479 /nfs/dbraw/zinc/38/64/79/983386479.db2.gz RNXVZWVUEUJOBV-UHFFFAOYSA-N -1 0 319.307 3.868 20 0 DHADRM CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596130690 983476488 /nfs/dbraw/zinc/47/64/88/983476488.db2.gz ATWLXFAHXIHRSV-STQMWFEESA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)C[C@@H]1CCCC1(F)F)c1ccccc1C(=O)[O-] ZINC001596133662 983482328 /nfs/dbraw/zinc/48/23/28/983482328.db2.gz MVRCQISYFFFGJF-NSHDSACASA-N -1 0 311.328 3.563 20 0 DHADRM CCN(C(=O)[C@H]1CCC=CCCC1)c1ccccc1C(=O)[O-] ZINC001596136793 983484799 /nfs/dbraw/zinc/48/47/99/983484799.db2.gz GJNWEGAOWRRZCJ-AWEZNQCLSA-N -1 0 301.386 3.874 20 0 DHADRM CCN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H](C)C(C)C ZINC001596150133 983509412 /nfs/dbraw/zinc/50/94/12/983509412.db2.gz FBXNDWWNCIFPLG-SECBINFHSA-N -1 0 314.332 3.561 20 0 DHADRM CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CCCC1 ZINC001596157920 983519691 /nfs/dbraw/zinc/51/96/91/983519691.db2.gz IFYDYKMKOCSZHF-JKSUJKDBSA-N -1 0 316.401 3.671 20 0 DHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H]1CCCC[C@H]1C ZINC001596164297 983526916 /nfs/dbraw/zinc/52/69/16/983526916.db2.gz LGIVLGVUZCSKHB-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(C)c1 ZINC001596165673 983530646 /nfs/dbraw/zinc/53/06/46/983530646.db2.gz ZVYUHRSQTZBAGO-UHFFFAOYSA-N -1 0 319.307 3.638 20 0 DHADRM CCN(C(=O)c1ccn(C(C)C)c1C)c1ccccc1C(=O)[O-] ZINC001596170333 983535190 /nfs/dbraw/zinc/53/51/90/983535190.db2.gz BCPNYZBWQISQDM-UHFFFAOYSA-N -1 0 314.385 3.742 20 0 DHADRM CCN(C(=O)c1cncc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001596173383 983539695 /nfs/dbraw/zinc/53/96/95/983539695.db2.gz XWOUIXZIQJXWFN-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM CCN(C)c1ccc(CSCc2nc(C(=O)[O-])cs2)cc1 ZINC001596197579 983581951 /nfs/dbraw/zinc/58/19/51/983581951.db2.gz LOMKDMVHWCJAIR-UHFFFAOYSA-N -1 0 322.455 3.731 20 0 DHADRM CCN(CC1CCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596294329 983715666 /nfs/dbraw/zinc/71/56/66/983715666.db2.gz SDULWXPPTBEJPJ-JKSUJKDBSA-N -1 0 316.401 3.529 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1F)c1ccc(F)c(C)c1 ZINC001596354380 983817853 /nfs/dbraw/zinc/81/78/53/983817853.db2.gz NMFWMFMWMKKVFD-UHFFFAOYSA-N -1 0 305.324 3.998 20 0 DHADRM C=C/C(C)=C\CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001588684232 983856971 /nfs/dbraw/zinc/85/69/71/983856971.db2.gz NQBVFTACTIFHTJ-HYMFSAHRSA-N -1 0 319.426 3.563 20 0 DHADRM CCN(Cc1ccncc1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001596375346 983884607 /nfs/dbraw/zinc/88/46/07/983884607.db2.gz WVCWYVLYKSLRRX-OAHLLOKOSA-N -1 0 322.767 3.522 20 0 DHADRM CCN(Cc1csc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC001596378503 983896260 /nfs/dbraw/zinc/89/62/60/983896260.db2.gz VYNLFWDCJBGJBI-UHFFFAOYSA-N -1 0 311.353 3.747 20 0 DHADRM C=C/C=C\CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588719900 983963332 /nfs/dbraw/zinc/96/33/32/983963332.db2.gz FODXYOHOSYGNGG-LIMHQNJXSA-N -1 0 309.365 3.604 20 0 DHADRM C=C/C=C/CCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588721589 983972422 /nfs/dbraw/zinc/97/24/22/983972422.db2.gz QCXFVQGOOIBWAD-ONEGZZNKSA-N -1 0 310.353 3.792 20 0 DHADRM CCOC(=O)[C@@H](CC)SCc1cc(C(=O)[O-])ccc1Cl ZINC001596527638 984345363 /nfs/dbraw/zinc/34/53/63/984345363.db2.gz KTJNYTQKRVRPNB-GFCCVEGCSA-N -1 0 316.806 3.613 20 0 DHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001588938539 984622465 /nfs/dbraw/zinc/62/24/65/984622465.db2.gz HDRBDJILBXQABM-FMIVXFBMSA-N -1 0 321.804 3.647 20 0 DHADRM Cc1cc([C@H]([N-]C(=O)C(F)(F)C(F)F)C2CC2)ccc1F ZINC000760065779 1015054721 /nfs/dbraw/zinc/05/47/21/1015054721.db2.gz DTERRQOUDRKANF-LLVKDONJSA-N -1 0 307.262 3.602 20 0 DHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599885752 984634006 /nfs/dbraw/zinc/63/40/06/984634006.db2.gz PFTYMVHSLSEGEG-WMLDXEAASA-N -1 0 317.429 3.578 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1)c1ccccc1C ZINC001588943870 984642022 /nfs/dbraw/zinc/64/20/22/984642022.db2.gz HBPIXAHMTKQPNG-BENRWUELSA-N -1 0 324.380 3.747 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001588943895 984642886 /nfs/dbraw/zinc/64/28/86/984642886.db2.gz HSAXYQRLBREMTQ-VQHVLOKHSA-N -1 0 305.717 3.673 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1ncc(C(F)(F)F)cc1Cl ZINC001588952109 984684413 /nfs/dbraw/zinc/68/44/13/984684413.db2.gz KNUWJAYPAHVNDR-KXFIGUGUSA-N -1 0 311.712 3.877 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nnc(-c2ccc(Cl)s2)o1 ZINC001588953042 984691174 /nfs/dbraw/zinc/69/11/74/984691174.db2.gz XVRZIFBTPPNNGL-GQCTYLIASA-N -1 0 316.791 3.575 20 0 DHADRM C/C(=C/C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccco1 ZINC001588953305 984694406 /nfs/dbraw/zinc/69/44/06/984694406.db2.gz NRQUZLVPASWUBH-TYBABMIJSA-N -1 0 304.298 3.587 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001588956625 984706834 /nfs/dbraw/zinc/70/68/34/984706834.db2.gz VTJILQIMZNSXLZ-AXRHOWDTSA-N -1 0 321.461 3.909 20 0 DHADRM C[C@H](NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccc1 ZINC001599901539 984839024 /nfs/dbraw/zinc/83/90/24/984839024.db2.gz JMJLZIZJJBWLKB-ZDUSSCGKSA-N -1 0 322.364 3.891 20 0 DHADRM C[C@H](Nc1cc(CC(=O)[O-])ccn1)c1ccc(F)cc1Cl ZINC001599902683 984870198 /nfs/dbraw/zinc/87/01/98/984870198.db2.gz KUMFOIVAETYQEL-VIFPVBQESA-N -1 0 308.740 3.674 20 0 DHADRM C[C@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1c(F)cccc1F ZINC001599903990 984898965 /nfs/dbraw/zinc/89/89/65/984898965.db2.gz WFOAHZUYTGULNS-UDIARPCQSA-N -1 0 322.263 3.574 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001589000640 984940569 /nfs/dbraw/zinc/94/05/69/984940569.db2.gz CJZGQYRMDVNCES-BMGYJQCNSA-N -1 0 323.820 3.749 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1)C(=O)[O-] ZINC000909519279 1015091703 /nfs/dbraw/zinc/09/17/03/1015091703.db2.gz GXJUOIHZCDXEER-KBPBESRZSA-N -1 0 301.386 3.635 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001589034638 985072438 /nfs/dbraw/zinc/07/24/38/985072438.db2.gz AZPGCCSXUUEYIP-AWEZNQCLSA-N -1 0 319.401 3.743 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(C)s1 ZINC000656738265 1015105991 /nfs/dbraw/zinc/10/59/91/1015105991.db2.gz HYKFFXXNNXUESA-UHFFFAOYSA-N -1 0 322.455 3.747 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000656737361 1015107890 /nfs/dbraw/zinc/10/78/90/1015107890.db2.gz BWHSZDZMJBHCNC-UHFFFAOYSA-N -1 0 316.426 3.631 20 0 DHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C1CC1 ZINC000656739480 1015108951 /nfs/dbraw/zinc/10/89/51/1015108951.db2.gz ZKMRIQQVXGWBGY-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM C[C@]1(C(=O)Nc2c(F)cccc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599937873 985418525 /nfs/dbraw/zinc/41/85/25/985418525.db2.gz MXTAFLRIGVNJIX-ACJLOTCBSA-N -1 0 313.328 3.656 20 0 DHADRM C[C@]1(CN2C[C@@H](C(=O)[O-])Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC001599938860 985429304 /nfs/dbraw/zinc/42/93/04/985429304.db2.gz YVHGLOLLTMKOHC-WAOWUJCRSA-N -1 0 321.420 3.944 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C[C@H]1C ZINC001594477434 985499215 /nfs/dbraw/zinc/49/92/15/985499215.db2.gz HISOWBUXLAVZGY-TXEJJXNPSA-N -1 0 312.369 3.658 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001594481339 985526849 /nfs/dbraw/zinc/52/68/49/985526849.db2.gz VODCDOSDSKLFJL-LBPRGKRZSA-N -1 0 310.353 3.536 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594481644 985530881 /nfs/dbraw/zinc/53/08/81/985530881.db2.gz XQKNKJKBHGBIOW-QMTHXVAHSA-N -1 0 316.382 3.671 20 0 DHADRM CCO[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001596852645 985587893 /nfs/dbraw/zinc/58/78/93/985587893.db2.gz JOGWUZAZXLHHMF-LSDHHAIUSA-N -1 0 321.417 3.932 20 0 DHADRM CC(=O)Nc1ccc(/C=C\c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001589190670 985593232 /nfs/dbraw/zinc/59/32/32/985593232.db2.gz IJCFOVYNCUFESB-DAXSKMNVSA-N -1 0 322.773 3.624 20 0 DHADRM C[C@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC001594494291 985625107 /nfs/dbraw/zinc/62/51/07/985625107.db2.gz OGVAHCGUXHHFSD-LIRRHRJNSA-N -1 0 323.392 3.537 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599966731 985920606 /nfs/dbraw/zinc/92/06/06/985920606.db2.gz XJHIJGJINBUBJW-LLVKDONJSA-N -1 0 322.364 3.917 20 0 DHADRM CC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2Cl)c(F)c1 ZINC001589297485 986042928 /nfs/dbraw/zinc/04/29/28/986042928.db2.gz ZDDONVWEJQQVMW-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CCOCCOc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-] ZINC001596937928 986056308 /nfs/dbraw/zinc/05/63/08/986056308.db2.gz HYIGFSPFLMKKLM-UHFFFAOYSA-N -1 0 313.564 3.760 20 0 DHADRM CC(=O)c1cccc(OCc2cccc(C(=O)[O-])c2Cl)c1F ZINC001589313884 986102715 /nfs/dbraw/zinc/10/27/15/986102715.db2.gz GLJKVRCBRXFVIY-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CCOCc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001596950114 986107462 /nfs/dbraw/zinc/10/74/62/986107462.db2.gz SBQGVRJNXHLRRW-JTQLQIEISA-N -1 0 306.387 3.551 20 0 DHADRM Cc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccn1C(C)C ZINC001599983706 986200830 /nfs/dbraw/zinc/20/08/30/986200830.db2.gz BEDKIXGJNOKKSN-GFCCVEGCSA-N -1 0 314.385 3.818 20 0 DHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC001589341846 986258554 /nfs/dbraw/zinc/25/85/54/986258554.db2.gz CAAYYMCGFFJVGY-HUUCEWRRSA-N -1 0 319.445 3.808 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC1CCCCC1 ZINC001597016319 986379110 /nfs/dbraw/zinc/37/91/10/986379110.db2.gz WMCKDQFVHMDEJG-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM C[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])[C@@H](C)C(C)(C)C ZINC001589364280 986383201 /nfs/dbraw/zinc/38/32/01/986383201.db2.gz DJBMZWZQTRUNHF-VXGBXAGGSA-N -1 0 303.402 3.592 20 0 DHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1cc2ccccc2o1 ZINC001589381826 986466780 /nfs/dbraw/zinc/46/67/80/986466780.db2.gz SWKWBNJOFGWUPN-ABAIWWIYSA-N -1 0 317.385 3.542 20 0 DHADRM CCOc1ccc(-c2nc(C(C)(C)C(=O)[O-])cs2)cc1OC ZINC001597049111 986516551 /nfs/dbraw/zinc/51/65/51/986516551.db2.gz AMEORZZIWFWHFH-UHFFFAOYSA-N -1 0 321.398 3.580 20 0 DHADRM C[C@@H]1CSc2ccccc2N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001594612174 986605646 /nfs/dbraw/zinc/60/56/46/986605646.db2.gz CBYSFXSXRANCRH-LBPRGKRZSA-N -1 0 314.410 3.528 20 0 DHADRM C[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@H](C)C(C)(C)C ZINC001589435503 986745653 /nfs/dbraw/zinc/74/56/53/986745653.db2.gz KISQIVCAONLJRY-QWRGUYRKSA-N -1 0 309.381 3.710 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CCC1 ZINC001589444069 986794428 /nfs/dbraw/zinc/79/44/28/986794428.db2.gz IKSWJENYZLYKOE-MRVPVSSYSA-N -1 0 310.419 3.514 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001597123008 986822379 /nfs/dbraw/zinc/82/23/79/986822379.db2.gz JORNRNKILFSXES-UHFFFAOYSA-N -1 0 303.333 3.843 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 ZINC001589461465 986910785 /nfs/dbraw/zinc/91/07/85/986910785.db2.gz DMFPPPUZMUBNOP-RNCFNFMXSA-N -1 0 323.801 3.593 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC001597150937 986931502 /nfs/dbraw/zinc/93/15/02/986931502.db2.gz VCUHQAUHOHTMPB-HNNXBMFYSA-N -1 0 322.401 3.971 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cscc1Cl)c1ccccc1 ZINC001589470273 986953583 /nfs/dbraw/zinc/95/35/83/986953583.db2.gz XZLCZQUXWCCNTG-NOZJJQNGSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001594665253 986957412 /nfs/dbraw/zinc/95/74/12/986957412.db2.gz CLIUBKGHCKJGMC-NEPJUHHUSA-N -1 0 321.442 3.793 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCc1ccc(Cl)cc1)C1CCC1 ZINC001589471213 986961181 /nfs/dbraw/zinc/96/11/81/986961181.db2.gz HHXXPXCGQDELMP-LBPRGKRZSA-N -1 0 323.820 3.517 20 0 DHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC001594666594 986966699 /nfs/dbraw/zinc/96/66/99/986966699.db2.gz XBCMOVRYXXPTPA-LLVKDONJSA-N -1 0 317.335 3.782 20 0 DHADRM CCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597161721 986969006 /nfs/dbraw/zinc/96/90/06/986969006.db2.gz MAUOQAPWANADMH-OAHLLOKOSA-N -1 0 305.761 3.977 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)CC ZINC001594677811 987018236 /nfs/dbraw/zinc/01/82/36/987018236.db2.gz VFQAIIWFKZQIJX-NCRHACNISA-N -1 0 319.376 3.544 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001594686208 987062822 /nfs/dbraw/zinc/06/28/22/987062822.db2.gz PUGXOLGWCUXLNX-QUCGXOGASA-N -1 0 308.403 3.656 20 0 DHADRM CCC(=CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)CC ZINC001594691342 987090097 /nfs/dbraw/zinc/09/00/97/987090097.db2.gz RGHDQRQLFUWPSQ-INIZCTEOSA-N -1 0 315.413 3.667 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCC(F)(F)F)cc1 ZINC001589504445 987113661 /nfs/dbraw/zinc/11/36/61/987113661.db2.gz LIWNNXXTXPFZBI-SECBINFHSA-N -1 0 303.280 3.546 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc(F)c2F)c1 ZINC001589532044 987209718 /nfs/dbraw/zinc/20/97/18/987209718.db2.gz AKRQUKOAJUXMFL-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCC[Si](C)(C)C)c1 ZINC001589533465 987227588 /nfs/dbraw/zinc/22/75/88/987227588.db2.gz PVDLKDSWSAOIJZ-LBPRGKRZSA-N -1 0 307.466 3.932 20 0 DHADRM CC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594729165 987240094 /nfs/dbraw/zinc/24/00/94/987240094.db2.gz NMNJADHFQWPLOW-ZWIBOUQDSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)C1CCC(C)CC1 ZINC001594729511 987242875 /nfs/dbraw/zinc/24/28/75/987242875.db2.gz STECFFXPCMALMV-UJFKTDLFSA-N -1 0 323.458 3.843 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC001589540928 987249474 /nfs/dbraw/zinc/24/94/74/987249474.db2.gz UOXKILHWJCDZTI-MADCSZMMSA-N -1 0 317.168 3.708 20 0 DHADRM CC[C@H](C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001594735136 987266895 /nfs/dbraw/zinc/26/68/95/987266895.db2.gz INZYVVIGAIHCFZ-LBPRGKRZSA-N -1 0 318.760 3.566 20 0 DHADRM CC[C@H](C(=O)Nc1scc(C(=O)[O-])c1C)c1ccccc1 ZINC001594735650 987270491 /nfs/dbraw/zinc/27/04/91/987270491.db2.gz OXNIJPYGYGIHRQ-LBPRGKRZSA-N -1 0 303.383 3.887 20 0 DHADRM CC[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001594736550 987278723 /nfs/dbraw/zinc/27/87/23/987278723.db2.gz OAKBIVRWHGJBAC-PGEKIEPBSA-N -1 0 317.429 3.854 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)[C@H](C)C(C)(C)C ZINC001589553879 987294957 /nfs/dbraw/zinc/29/49/57/987294957.db2.gz URNKPIODCZXOCH-MNOVXSKESA-N -1 0 310.365 3.677 20 0 DHADRM CCSc1nnc(SCc2csc(C(=O)[O-])c2)s1 ZINC001597282380 987354642 /nfs/dbraw/zinc/35/46/42/987354642.db2.gz LOBGQCAOZZCIMZ-UHFFFAOYSA-N -1 0 318.470 3.702 20 0 DHADRM CC[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1F ZINC001597288263 987368839 /nfs/dbraw/zinc/36/88/39/987368839.db2.gz ACOZLOJUQQTIMS-OAHLLOKOSA-N -1 0 319.307 3.544 20 0 DHADRM CC[C@H](C)[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001597324639 987455954 /nfs/dbraw/zinc/45/59/54/987455954.db2.gz BEQFIZHBVBKRMQ-HZMBPMFUSA-N -1 0 322.792 3.584 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001597341907 987480323 /nfs/dbraw/zinc/48/03/23/987480323.db2.gz VTDFYKRPNSITAO-HNNXBMFYSA-N -1 0 319.307 3.544 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Nc2c(F)c(OC)ccc2C(=O)[O-])CC1 ZINC001597356290 987505379 /nfs/dbraw/zinc/50/53/79/987505379.db2.gz SXKYCUTWNAYARS-XYPYZODXSA-N -1 0 323.364 3.687 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC001597356299 987505555 /nfs/dbraw/zinc/50/55/55/987505555.db2.gz UNWWRIXSIUWSPK-BFYDXBDKSA-N -1 0 317.429 3.762 20 0 DHADRM CCc1[nH]c(C(=O)NCCCCCCC(C)C)c(C)c1C(=O)[O-] ZINC001597367951 987545521 /nfs/dbraw/zinc/54/55/21/987545521.db2.gz FXCYZUBPPMHOBR-UHFFFAOYSA-N -1 0 322.449 3.920 20 0 DHADRM CCc1[nH]c(C(=O)Nc2cccc(F)c2Cl)c(C)c1C(=O)[O-] ZINC001597374331 987561164 /nfs/dbraw/zinc/56/11/64/987561164.db2.gz KCRHEWJCBUATQE-UHFFFAOYSA-N -1 0 324.739 3.629 20 0 DHADRM CC(C)(C(=O)[O-])n1ccc(N[C@@H]2CCCCc3ccccc32)n1 ZINC001589680458 987702857 /nfs/dbraw/zinc/70/28/57/987702857.db2.gz AOVCWUVGYMEWSR-OAHLLOKOSA-N -1 0 313.401 3.582 20 0 DHADRM CCc1cc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])ccc1O ZINC001597434350 987779379 /nfs/dbraw/zinc/77/93/79/987779379.db2.gz YWGOSSVVPIYQNT-UHFFFAOYSA-N -1 0 319.382 3.583 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(C2CCC2)c1 ZINC001589702605 987802110 /nfs/dbraw/zinc/80/21/10/987802110.db2.gz MOBROTXWNDKNFR-OAHLLOKOSA-N -1 0 318.417 3.965 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2ccccc2C1 ZINC001597449734 987835282 /nfs/dbraw/zinc/83/52/82/987835282.db2.gz JJHOOMBWGGICSY-INIZCTEOSA-N -1 0 323.392 3.691 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC001597452320 987848773 /nfs/dbraw/zinc/84/87/73/987848773.db2.gz GDHQQPUCNZDLDA-LBPRGKRZSA-N -1 0 318.417 3.847 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1CC ZINC001597453072 987853508 /nfs/dbraw/zinc/85/35/08/987853508.db2.gz KQDJMCSHEHKPGL-AWEZNQCLSA-N -1 0 304.390 3.744 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC001597453820 987857508 /nfs/dbraw/zinc/85/75/08/987857508.db2.gz STFWDEWGNJWOHH-RYUDHWBXSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)C(C)C ZINC001597457416 987873730 /nfs/dbraw/zinc/87/37/30/987873730.db2.gz KVHRIFZWPWNUOJ-UHFFFAOYSA-N -1 0 306.406 3.751 20 0 DHADRM CC(C)(C)[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001589720346 987881513 /nfs/dbraw/zinc/88/15/13/987881513.db2.gz MUXFJKURJMWWOA-AWEZNQCLSA-N -1 0 322.792 3.584 20 0 DHADRM CC(C)(C)[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC001589722415 987890055 /nfs/dbraw/zinc/89/00/55/987890055.db2.gz GBDNPLSSLBNLCD-LXKVQUBZSA-N -1 0 317.414 3.567 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C1CCCC1 ZINC001597465018 987901425 /nfs/dbraw/zinc/90/14/25/987901425.db2.gz ORYNUDSVLIJRDG-LLVKDONJSA-N -1 0 304.390 3.647 20 0 DHADRM CS[C@@H](C)CCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599784951 987905325 /nfs/dbraw/zinc/90/53/25/987905325.db2.gz YKWMKSNYQOGCHE-ZANVPECISA-N -1 0 316.806 3.541 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1c(C)cc(F)cc1C ZINC001597465852 987909181 /nfs/dbraw/zinc/90/91/81/987909181.db2.gz YUFRZAAKEQGPSQ-UHFFFAOYSA-N -1 0 315.344 3.955 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)NCc2ccoc2C(=O)[O-])CC1 ZINC001589726607 987910452 /nfs/dbraw/zinc/91/04/52/987910452.db2.gz MVUKEDXOQKQOQN-UHFFFAOYSA-N -1 0 321.417 3.837 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589728290 987930127 /nfs/dbraw/zinc/93/01/27/987930127.db2.gz ICNNKZOOPJWKQD-ZIAGYGMSSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589728470 987932681 /nfs/dbraw/zinc/93/26/81/987932681.db2.gz MFAVELOCQSOLEW-OCCSQVGLSA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589728850 987936885 /nfs/dbraw/zinc/93/68/85/987936885.db2.gz PKXKWYDIYMXYMG-VMFRVMOISA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001589729109 987940090 /nfs/dbraw/zinc/94/00/90/987940090.db2.gz SPTRYROGEMAMJG-LJISPDSOSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589729148 987941032 /nfs/dbraw/zinc/94/10/32/987941032.db2.gz UGSCWEOREZGTAF-AAEUAGOBSA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001589729155 987941275 /nfs/dbraw/zinc/94/12/75/987941275.db2.gz UKYGBEIKLYSZMW-YJNKXOJESA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@@H]1CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001589732172 987956325 /nfs/dbraw/zinc/95/63/25/987956325.db2.gz LTVAEADDIKPZQH-AWEZNQCLSA-N -1 0 315.373 3.518 20 0 DHADRM CC(C)(C)/C=C\C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589737809 987996754 /nfs/dbraw/zinc/99/67/54/987996754.db2.gz CURZBEYENHRWGE-KTKRTIGZSA-N -1 0 301.386 3.656 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)c2ccc(C)o2)c1 ZINC001597502848 988068685 /nfs/dbraw/zinc/06/86/85/988068685.db2.gz IHSIZNNFMUUKGI-LLVKDONJSA-N -1 0 302.326 3.558 20 0 DHADRM CC(C)(C)C[C@H](Nc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC001589757090 988069489 /nfs/dbraw/zinc/06/94/89/988069489.db2.gz LGDICOWFXJHRSX-NSHDSACASA-N -1 0 311.451 3.887 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC001597502869 988069684 /nfs/dbraw/zinc/06/96/84/988069684.db2.gz JYKWVFICBHUMOF-UHFFFAOYSA-N -1 0 303.383 3.823 20 0 DHADRM CCc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1CC ZINC001597503261 988070269 /nfs/dbraw/zinc/07/02/69/988070269.db2.gz MTGVZPKEYIFFCQ-UHFFFAOYSA-N -1 0 318.398 3.527 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2csc(C3CC3)n2)c1 ZINC001597507193 988081659 /nfs/dbraw/zinc/08/16/59/988081659.db2.gz UJIXVJQPAMDSEZ-UHFFFAOYSA-N -1 0 317.366 3.500 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001589766437 988111627 /nfs/dbraw/zinc/11/16/27/988111627.db2.gz DXHXGMYTKRXDKB-GOSISDBHSA-N -1 0 323.408 3.544 20 0 DHADRM CSCCCCC(=O)O[C@H](C(=O)[O-])c1cccc(C)c1C ZINC001599797353 988119117 /nfs/dbraw/zinc/11/91/17/988119117.db2.gz GFARJILVCDJSJD-HNNXBMFYSA-N -1 0 310.415 3.506 20 0 DHADRM CSCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC001599797357 988119137 /nfs/dbraw/zinc/11/91/37/988119137.db2.gz GFARJILVCDJSJD-OAHLLOKOSA-N -1 0 310.415 3.506 20 0 DHADRM Cc1ccc(OCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474443356 1015363149 /nfs/dbraw/zinc/36/31/49/1015363149.db2.gz CTPFWVFDBWNBHK-UHFFFAOYSA-N -1 0 309.724 3.511 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001589771702 988123011 /nfs/dbraw/zinc/12/30/11/988123011.db2.gz CVQKCJNHQAVNCW-KKUMJFAQSA-N -1 0 309.450 3.695 20 0 DHADRM CCc1ccc([C@H](Nc2nc(C)cc(C(=O)[O-])n2)C(C)C)cc1 ZINC001597514755 988123313 /nfs/dbraw/zinc/12/33/13/988123313.db2.gz RQUXNZJBNPJWRT-MRXNPFEDSA-N -1 0 313.401 3.855 20 0 DHADRM CC(C)(C)CCCCC(=O)NCCc1ccccc1C(=O)[O-] ZINC001589771766 988124258 /nfs/dbraw/zinc/12/42/58/988124258.db2.gz GHTPHTRLMMHTTC-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CSCCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599797728 988124800 /nfs/dbraw/zinc/12/48/00/988124800.db2.gz VPRNOKHPDZMOAP-UHFFFAOYSA-N -1 0 319.785 3.649 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc(F)c1F ZINC000474443751 1015363534 /nfs/dbraw/zinc/36/35/34/1015363534.db2.gz FKEOFLIRDSVDGR-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM COc1ccccc1CCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474446288 1015366410 /nfs/dbraw/zinc/36/64/10/1015366410.db2.gz OEJQUWJPBOLVED-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CCc1ccc(CS[C@H](Cc2ccc(C)cc2)C(=O)[O-])nc1 ZINC001597530849 988188891 /nfs/dbraw/zinc/18/88/91/988188891.db2.gz RPVDNJJHWPAFFF-QGZVFWFLSA-N -1 0 315.438 3.882 20 0 DHADRM CCc1ccc(N(CC)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597531803 988190151 /nfs/dbraw/zinc/19/01/51/988190151.db2.gz AUCPZYADIMZPMN-KTKRTIGZSA-N -1 0 313.353 3.607 20 0 DHADRM CSCc1cc(F)ccc1CNc1ccc(C(=O)[O-])c(C)n1 ZINC001599802094 988193540 /nfs/dbraw/zinc/19/35/40/988193540.db2.gz BSUFGPOKMLKLFM-UHFFFAOYSA-N -1 0 320.389 3.702 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC001597543007 988236541 /nfs/dbraw/zinc/23/65/41/988236541.db2.gz OUVNJGJGHYFSSH-RYUDHWBXSA-N -1 0 309.793 3.732 20 0 DHADRM CCc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1F ZINC001597546709 988252300 /nfs/dbraw/zinc/25/23/00/988252300.db2.gz JYUMDTGEGVJYRE-UHFFFAOYSA-N -1 0 310.369 3.545 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599806758 988268836 /nfs/dbraw/zinc/26/88/36/988268836.db2.gz CERFGQHPCYJUMK-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM CCc1ccc(NCc2ncc(C(C)(C)C)o2)c(C(=O)[O-])c1 ZINC001597551746 988276255 /nfs/dbraw/zinc/27/62/55/988276255.db2.gz LOWJSEFLLFMBLT-UHFFFAOYSA-N -1 0 302.374 3.845 20 0 DHADRM CSc1cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)ccc1C ZINC001599808899 988300890 /nfs/dbraw/zinc/30/08/90/988300890.db2.gz 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DHADRM CSc1ccccc1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599823274 988551397 /nfs/dbraw/zinc/55/13/97/988551397.db2.gz KRFRFOQBFXWDCY-UHFFFAOYSA-N -1 0 308.399 3.599 20 0 DHADRM CSc1ccccc1COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599823777 988561541 /nfs/dbraw/zinc/56/15/41/988561541.db2.gz DFAKXTNQLORJKA-UHFFFAOYSA-N -1 0 320.341 3.603 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000013166514 1015400579 /nfs/dbraw/zinc/40/05/79/1015400579.db2.gz RMJVKIWJSUFJQG-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001599834036 988716089 /nfs/dbraw/zinc/71/60/89/988716089.db2.gz XXQCHEUSMGEZIH-XROYCOCOSA-N -1 0 317.168 3.503 20 0 DHADRM C[C@@H](Cc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599837541 988768432 /nfs/dbraw/zinc/76/84/32/988768432.db2.gz MOVIJRCMFBVEAA-NSHDSACASA-N -1 0 318.756 3.822 20 0 DHADRM CCc1nc(NC(=O)C[C@H](C)CC(C)(C)C)sc1C(=O)[O-] ZINC001597678740 988800094 /nfs/dbraw/zinc/80/00/94/988800094.db2.gz 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ZINC001597723426 989009261 /nfs/dbraw/zinc/00/92/61/989009261.db2.gz JQVZDIIUEDYHBU-UHFFFAOYSA-N -1 0 314.376 3.776 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C(F)(F)C1 ZINC001597767405 989220539 /nfs/dbraw/zinc/22/05/39/989220539.db2.gz MAANZGJKYFGWJO-UHFFFAOYSA-N -1 0 321.323 3.648 20 0 DHADRM CCc1oc(CN[C@H]2CSCc3ccccc32)cc1C(=O)[O-] ZINC001597801967 989396790 /nfs/dbraw/zinc/39/67/90/989396790.db2.gz JYWURYBOBWTDHR-HNNXBMFYSA-N -1 0 317.410 3.618 20 0 DHADRM CCc1sc(CCCC(=O)[O-])nc1-c1ccc(OC)cc1 ZINC001597819816 989458234 /nfs/dbraw/zinc/45/82/34/989458234.db2.gz HXASMZYANJXYSQ-UHFFFAOYSA-N -1 0 305.399 3.788 20 0 DHADRM C[C@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001599885111 989542196 /nfs/dbraw/zinc/54/21/96/989542196.db2.gz HPSWLLVMQQTMGB-NSHDSACASA-N -1 0 308.337 3.608 20 0 DHADRM CCn1cc(C(=O)Nc2sccc2C(=O)[O-])c2ccccc21 ZINC001597879469 989698362 /nfs/dbraw/zinc/69/83/62/989698362.db2.gz HUDFJCKUJJEGMY-UHFFFAOYSA-N -1 0 314.366 3.673 20 0 DHADRM CCn1cc(CCSc2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001597886280 989728532 /nfs/dbraw/zinc/72/85/32/989728532.db2.gz TXEZTMBUWOHZFU-UHFFFAOYSA-N -1 0 310.806 3.589 20 0 DHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255380763 1015502674 /nfs/dbraw/zinc/50/26/74/1015502674.db2.gz RYXLZKILWKZFNH-SEWDUPMJSA-N -1 0 323.458 3.710 20 0 DHADRM CCn1nc(CNc2ccc(C(=O)[O-])c(C)c2)c2ccccc21 ZINC001597946291 989935763 /nfs/dbraw/zinc/93/57/63/989935763.db2.gz ZXFUBWNVADBXSY-UHFFFAOYSA-N -1 0 309.369 3.675 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)N2CC(C3CC3)C2)s1 ZINC001590461245 990028772 /nfs/dbraw/zinc/02/87/72/990028772.db2.gz YEFNLQNIAUCHHS-UHFFFAOYSA-N -1 0 322.430 3.618 20 0 DHADRM CC(C)(C)c1cc(N[C@@H](CC2CC2)C(=O)[O-])nc(C(C)(C)C)n1 ZINC001590462238 990033986 /nfs/dbraw/zinc/03/39/86/990033986.db2.gz RGHRQIFYSWRZHZ-LBPRGKRZSA-N -1 0 319.449 3.737 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001590498538 990108104 /nfs/dbraw/zinc/10/81/04/990108104.db2.gz 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ZINC001590914522 990898543 /nfs/dbraw/zinc/89/85/43/990898543.db2.gz JBADTQRLVSCCNZ-LBPRGKRZSA-N -1 0 323.355 3.625 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001590921884 990915512 /nfs/dbraw/zinc/91/55/12/990915512.db2.gz LGOBUGLJZZIMJU-CQSZACIVSA-N -1 0 303.402 3.569 20 0 DHADRM CC(C)=CCSc1ccccc1C(=O)NC/C=C(/C)C(=O)[O-] ZINC001590927102 990931150 /nfs/dbraw/zinc/93/11/50/990931150.db2.gz RLZZAVRUGOXZKS-JYRVWZFOSA-N -1 0 319.426 3.506 20 0 DHADRM CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590943762 990982963 /nfs/dbraw/zinc/98/29/63/990982963.db2.gz CUOGIXVWEMBQCX-CQSZACIVSA-N -1 0 318.398 3.580 20 0 DHADRM CC(C)C(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590943760 990983275 /nfs/dbraw/zinc/98/32/75/990983275.db2.gz CUOGIXVWEMBQCX-AWEZNQCLSA-N -1 0 318.398 3.580 20 0 DHADRM CC(C)[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590957287 991038250 /nfs/dbraw/zinc/03/82/50/991038250.db2.gz LMKQIMGTOHNMAF-QGZVFWFLSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)[C@@H](C)N(C(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001590969549 991096720 /nfs/dbraw/zinc/09/67/20/991096720.db2.gz FPFPHVINLXUIJR-GFCCVEGCSA-N -1 0 301.342 3.669 20 0 DHADRM CC(C)[C@H](CC(F)(F)F)Nc1ncc(C(=O)[O-])cc1Cl ZINC001590981360 991140668 /nfs/dbraw/zinc/14/06/68/991140668.db2.gz USSDSHNQGNXTBU-VIFPVBQESA-N -1 0 310.703 3.822 20 0 DHADRM COc1ccccc1C(C)(C)NCc1cc(C(=O)[O-])ccc1F ZINC001599696702 991158914 /nfs/dbraw/zinc/15/89/14/991158914.db2.gz DBIJWSYTVHZBDA-UHFFFAOYSA-N -1 0 317.360 3.557 20 0 DHADRM CC(C)[C@H](CNC(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001590989402 991198115 /nfs/dbraw/zinc/19/81/15/991198115.db2.gz JBNWBGZJRHWIOK-AWEZNQCLSA-N -1 0 317.410 3.616 20 0 DHADRM CC(C)[C@@H](F)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001590996194 991227032 /nfs/dbraw/zinc/22/70/32/991227032.db2.gz KTZAJZMAOARLFN-GDBMZVCRSA-N -1 0 323.408 3.610 20 0 DHADRM CC(C)[C@@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001590996564 991233209 /nfs/dbraw/zinc/23/32/09/991233209.db2.gz 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991628042 /nfs/dbraw/zinc/62/80/42/991628042.db2.gz ORAQNMFXNPTHOB-UKRRQHHQSA-N -1 0 315.417 3.748 20 0 DHADRM CC(C)[C@@H]1N(C(=O)CCCCC(=O)[O-])CC12CCCCCC2 ZINC001591099610 991712500 /nfs/dbraw/zinc/71/25/00/991712500.db2.gz NRLYJRXDENLZDL-KRWDZBQOSA-N -1 0 309.450 3.839 20 0 DHADRM CCCC[C@@H](CC)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262281047 1015655434 /nfs/dbraw/zinc/65/54/34/1015655434.db2.gz ZOSCRBRFDCZOJK-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001591134545 991840014 /nfs/dbraw/zinc/84/00/14/991840014.db2.gz UWRJWVITXNNZDH-GFCCVEGCSA-N -1 0 310.415 3.841 20 0 DHADRM CC(C)C[C@H](C)OC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001591137904 991849995 /nfs/dbraw/zinc/84/99/95/991849995.db2.gz GPVILSOVMTUQPW-DZGCQCFKSA-N -1 0 313.438 3.818 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001591143133 991869034 /nfs/dbraw/zinc/86/90/34/991869034.db2.gz NWVZECRMOSQAJH-UHFFFAOYSA-N -1 0 317.429 3.982 20 0 DHADRM CC(C)C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccs1 ZINC001591178669 991977182 /nfs/dbraw/zinc/97/71/82/991977182.db2.gz SLZDXIKLLQWNRG-HIFRSBDPSA-N -1 0 304.415 3.646 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591205489 992029204 /nfs/dbraw/zinc/02/92/04/992029204.db2.gz ISMKAEWXOAEUJN-LBPRGKRZSA-N -1 0 324.446 3.557 20 0 DHADRM CC(C)C[C@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001591210960 992048840 /nfs/dbraw/zinc/04/88/40/992048840.db2.gz JAIAGWULMJCCAX-SNVBAGLBSA-N -1 0 316.323 3.671 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001591227157 992098637 /nfs/dbraw/zinc/09/86/37/992098637.db2.gz DHOZGBBPCHYCQC-RDJZCZTQSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)CCSCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001591266350 992179284 /nfs/dbraw/zinc/17/92/84/992179284.db2.gz CFXOANQQAXKDPQ-LBPRGKRZSA-N -1 0 310.415 3.768 20 0 DHADRM CC(C)CN(C(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591281647 992217390 /nfs/dbraw/zinc/21/73/90/992217390.db2.gz 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/nfs/dbraw/zinc/79/56/70/992795670.db2.gz XQAPLLDJXLVJTE-UHFFFAOYSA-N -1 0 311.337 3.870 20 0 DHADRM CC(C)N(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001591603506 992835363 /nfs/dbraw/zinc/83/53/63/992835363.db2.gz HKOQJGLFOGIGNK-UHFFFAOYSA-N -1 0 315.344 3.575 20 0 DHADRM CC(C)N(Cc1cccs1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591604310 992842566 /nfs/dbraw/zinc/84/25/66/992842566.db2.gz OAJHGBPTPVKEJE-UHFFFAOYSA-N -1 0 321.373 3.636 20 0 DHADRM CN(OCc1ccccc1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598540036 992888914 /nfs/dbraw/zinc/88/89/14/992888914.db2.gz KLUVACZUPZUSLK-HNNXBMFYSA-N -1 0 305.761 3.529 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N(CC(C)C)CC(C)C)c(C)c1 ZINC000341791668 1015738831 /nfs/dbraw/zinc/73/88/31/1015738831.db2.gz RTWIKHACHDMAQY-JOCHJYFZSA-N -1 0 323.502 3.552 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000341833858 1015761420 /nfs/dbraw/zinc/76/14/20/1015761420.db2.gz LSSWTXHLANVSJM-AOMKIAJQSA-N -1 0 323.502 3.742 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC000192460353 1015766955 /nfs/dbraw/zinc/76/69/55/1015766955.db2.gz JIISPTLSKNOOHB-GLXFQSAKSA-N -1 0 311.784 3.835 20 0 DHADRM C[C@](CC(=O)[O-])(C(=O)NCc1cccc(F)c1)C1CCCCC1 ZINC000522621196 1015784714 /nfs/dbraw/zinc/78/47/14/1015784714.db2.gz OEEQQQIWNCMUMB-GOSISDBHSA-N -1 0 321.392 3.503 20 0 DHADRM COc1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599599237 993791291 /nfs/dbraw/zinc/79/12/91/993791291.db2.gz NCUXJVVPJJUDIU-VIFPVBQESA-N -1 0 307.371 3.637 20 0 DHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC001599599477 993794468 /nfs/dbraw/zinc/79/44/68/993794468.db2.gz SZEJBMSXDVEBAC-OAHLLOKOSA-N -1 0 321.760 3.595 20 0 DHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2F)c1 ZINC000280975837 1015816383 /nfs/dbraw/zinc/81/63/83/1015816383.db2.gz OWOZJTGGXIPDIF-LBPRGKRZSA-N -1 0 319.351 3.648 20 0 DHADRM C[C@H](N[C@](C)(C(=O)[O-])c1ccccc1)c1nccc2ccccc21 ZINC001593194666 994139400 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COCCOc1cccc(-c2ccccc2CCCC(=O)[O-])c1 ZINC000582857733 337208573 /nfs/dbraw/zinc/20/85/73/337208573.db2.gz YKPYEZUWJYPCAG-UHFFFAOYSA-N -1 0 314.381 3.786 20 0 DHADRM O=C([O-])c1ccc(CNCc2ccsc2Cl)nc1C1CC1 ZINC000583014168 337229131 /nfs/dbraw/zinc/22/91/31/337229131.db2.gz IQBXBJXJJKBERJ-UHFFFAOYSA-N -1 0 322.817 3.662 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000583034894 337231944 /nfs/dbraw/zinc/23/19/44/337231944.db2.gz PETJXXBRJSJBQF-RKDXNWHRSA-N -1 0 318.200 3.672 20 0 DHADRM Cc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)ccc1O ZINC000583183051 337259059 /nfs/dbraw/zinc/25/90/59/337259059.db2.gz BFEPWRHCFXJADL-UHFFFAOYSA-N -1 0 302.717 3.777 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(F)c1 ZINC000321405465 337262347 /nfs/dbraw/zinc/26/23/47/337262347.db2.gz QQMTYNXBGPMTEH-UHFFFAOYSA-N -1 0 313.328 3.655 20 0 DHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583207666 337271475 /nfs/dbraw/zinc/27/14/75/337271475.db2.gz ZVFBIXDMFPOWOI-OPFPJEHXSA-N -1 0 321.392 3.626 20 0 DHADRM C[C@@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC000583214693 337274392 /nfs/dbraw/zinc/27/43/92/337274392.db2.gz IZEATARMOSLRQJ-HLIUYOAVSA-N -1 0 309.450 3.600 20 0 DHADRM CCCn1c(CNc2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC000321544197 337275152 /nfs/dbraw/zinc/27/51/52/337275152.db2.gz CYNJVLNWPNSEMB-UHFFFAOYSA-N -1 0 309.369 3.757 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC12CCCCC2 ZINC000583235772 337282326 /nfs/dbraw/zinc/28/23/26/337282326.db2.gz JJUGUXSFLSTZMW-AWEZNQCLSA-N -1 0 315.413 3.817 20 0 DHADRM CSCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000191622075 337297968 /nfs/dbraw/zinc/29/79/68/337297968.db2.gz YRMIPFGDLDKQSB-UHFFFAOYSA-N -1 0 301.367 3.500 20 0 DHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013166821 337307715 /nfs/dbraw/zinc/30/77/15/337307715.db2.gz LQXIZAQDLTVFKA-JTQLQIEISA-N -1 0 315.394 3.823 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013254600 337310607 /nfs/dbraw/zinc/31/06/07/337310607.db2.gz SNJWPZDBYRQZLN-UHFFFAOYSA-N -1 0 309.243 3.656 20 0 DHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(C2CC2)cc1 ZINC000584399213 337318444 /nfs/dbraw/zinc/31/84/44/337318444.db2.gz BYQKYCIAWGZJMZ-CYBMUJFWSA-N -1 0 315.413 3.776 20 0 DHADRM Cc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)oc1C(=O)[O-] ZINC000583818137 337338536 /nfs/dbraw/zinc/33/85/36/337338536.db2.gz OMNSGUWIEJPLMA-UHFFFAOYSA-N -1 0 303.333 3.590 20 0 DHADRM CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036750232 337358498 /nfs/dbraw/zinc/35/84/98/337358498.db2.gz AYFGXMFPFFQMOM-JTQLQIEISA-N -1 0 319.188 3.758 20 0 DHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C(C)C)C2CCCC2)c1 ZINC000132428072 337442238 /nfs/dbraw/zinc/44/22/38/337442238.db2.gz IBCMXGYVIVRXRF-QFIPXVFZSA-N -1 0 321.486 3.591 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000237001571 337467228 /nfs/dbraw/zinc/46/72/28/337467228.db2.gz FCIRMDGODIRXDQ-XPTSAGLGSA-N -1 0 317.385 3.587 20 0 DHADRM Cc1cc([C@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c(C)s1 ZINC000572003552 337586122 /nfs/dbraw/zinc/58/61/22/337586122.db2.gz OZZZZVCBACCJPE-XGNXJENSSA-N -1 0 323.458 3.823 20 0 DHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnc2ccccc12 ZINC000572195234 337596226 /nfs/dbraw/zinc/59/62/26/337596226.db2.gz HGOUHBXFYQJKNJ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262221773 337616002 /nfs/dbraw/zinc/61/60/02/337616002.db2.gz ZEQBYVVDNBJQOF-OLZOCXBDSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccs2)c(F)c1 ZINC000262400627 337617333 /nfs/dbraw/zinc/61/73/33/337617333.db2.gz OCTDXOJRIQPFSI-ZDUSSCGKSA-N -1 0 319.357 3.563 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000262458908 337618316 /nfs/dbraw/zinc/61/83/16/337618316.db2.gz FOUWWSYSQAZGGF-BDJLRTHQSA-N -1 0 319.401 3.535 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262477236 337618532 /nfs/dbraw/zinc/61/85/32/337618532.db2.gz ZWICTRRVFKYJBH-CYBMUJFWSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262533576 337618969 /nfs/dbraw/zinc/61/89/69/337618969.db2.gz SXZLYRROFHYTQN-WBVHZDCISA-N -1 0 317.429 3.578 20 0 DHADRM CCCC[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262554476 337619171 /nfs/dbraw/zinc/61/91/71/337619171.db2.gz XYNVUUFLSPORNO-HOCLYGCPSA-N -1 0 305.418 3.578 20 0 DHADRM C[C@]1(NC(=O)c2cc3ccccc3s2)CCCC[C@H]1C(=O)[O-] ZINC000262734472 337620940 /nfs/dbraw/zinc/62/09/40/337620940.db2.gz IIENQDNTTNHVGO-SJCJKPOMSA-N -1 0 317.410 3.665 20 0 DHADRM COc1cc(NC(=O)CCCC2CCCC2)ccc1C(=O)[O-] ZINC000262852815 337621989 /nfs/dbraw/zinc/62/19/89/337621989.db2.gz DIJLXBJRCPYTHT-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM C[C@H]1CCN(C(=O)CCCCCc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000262859248 337622021 /nfs/dbraw/zinc/62/20/21/337622021.db2.gz AOHFYTQGSSISLU-DZGCQCFKSA-N -1 0 323.458 3.563 20 0 DHADRM CCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262880654 337622131 /nfs/dbraw/zinc/62/21/31/337622131.db2.gz KNWKSJPVNRCXGK-UAGQMJEPSA-N -1 0 317.429 3.530 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000262913911 337622358 /nfs/dbraw/zinc/62/23/58/337622358.db2.gz IXSXHZOKCBPUQV-NUEKZKHPSA-N -1 0 309.450 3.552 20 0 DHADRM COc1cc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000263081256 337624107 /nfs/dbraw/zinc/62/41/07/337624107.db2.gz ZETSQOVQPSHIGM-VXGBXAGGSA-N -1 0 305.374 3.548 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000263085596 337624174 /nfs/dbraw/zinc/62/41/74/337624174.db2.gz VCIWPNRKQBVZFI-MRXNPFEDSA-N -1 0 323.776 3.705 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000263085591 337624246 /nfs/dbraw/zinc/62/42/46/337624246.db2.gz VCIWPNRKQBVZFI-INIZCTEOSA-N -1 0 323.776 3.705 20 0 DHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000263152538 337624905 /nfs/dbraw/zinc/62/49/05/337624905.db2.gz JCTLFEJUPXKCBW-XSCHDIRWSA-N -1 0 309.450 3.551 20 0 DHADRM CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000263225426 337625289 /nfs/dbraw/zinc/62/52/89/337625289.db2.gz ZXWXXODUVDGNHF-UHFFFAOYSA-N -1 0 303.402 3.704 20 0 DHADRM Cc1ccc2c(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)csc2c1 ZINC000263204652 337625442 /nfs/dbraw/zinc/62/54/42/337625442.db2.gz MTZBYDHCGZTWSY-NWDGAFQWSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263339009 337626524 /nfs/dbraw/zinc/62/65/24/337626524.db2.gz RMRAOUVEBODNPF-CVEARBPZSA-N -1 0 315.413 3.590 20 0 DHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1cccs1 ZINC000263381812 337627243 /nfs/dbraw/zinc/62/72/43/337627243.db2.gz CQJVBXCZNPWMIH-CYBMUJFWSA-N -1 0 309.431 3.682 20 0 DHADRM CCCCn1ncc(NC2CCC(C(=O)[O-])CC2)c1C(C)C ZINC000263410476 337628158 /nfs/dbraw/zinc/62/81/58/337628158.db2.gz LHVBMQFAVMEUKO-UHFFFAOYSA-N -1 0 307.438 3.862 20 0 DHADRM O=C([O-])[C@H]1CCCN1c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000263412257 337628205 /nfs/dbraw/zinc/62/82/05/337628205.db2.gz MSUHPFBDVAEYQM-SNVBAGLBSA-N -1 0 311.168 3.595 20 0 DHADRM C[C@H](Cc1ccccc1F)Nc1cccc(CCC(=O)[O-])c1 ZINC000263453252 337629731 /nfs/dbraw/zinc/62/97/31/337629731.db2.gz AHHWZTZTAYTFKV-CYBMUJFWSA-N -1 0 301.361 3.886 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263519186 337631133 /nfs/dbraw/zinc/63/11/33/337631133.db2.gz GIMNXJVJFDLOHP-GJZGRUSLSA-N -1 0 309.450 3.839 20 0 DHADRM CCn1c(CNc2cc(C(=O)[O-])ccc2C)nc2ccccc21 ZINC000321583739 337637556 /nfs/dbraw/zinc/63/75/56/337637556.db2.gz IJCVOXPVRAHZNE-UHFFFAOYSA-N -1 0 309.369 3.675 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000191343770 337676401 /nfs/dbraw/zinc/67/64/01/337676401.db2.gz VHFNNJDIVSTTRQ-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191358326 337678429 /nfs/dbraw/zinc/67/84/29/337678429.db2.gz KDWIAZKVTHREDT-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM C[C@@H](CC(=O)[O-])c1ccc(-c2ccc(C3(CO)CC3)cc2)cc1 ZINC000580467197 337680032 /nfs/dbraw/zinc/68/00/32/337680032.db2.gz VCGABBOWTBMXEV-AWEZNQCLSA-N -1 0 310.393 3.956 20 0 DHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc3cccnc32)cc1 ZINC000191557335 337681508 /nfs/dbraw/zinc/68/15/08/337681508.db2.gz YNAGQZYKXGRQNY-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC(C)(CC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1)C(=O)[O-] ZINC000564139068 337800488 /nfs/dbraw/zinc/80/04/88/337800488.db2.gz PQNRHQYDUUCDLF-MRXNPFEDSA-N -1 0 321.392 3.674 20 0 DHADRM CSc1cccc(C)c1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424384071 337829491 /nfs/dbraw/zinc/82/94/91/337829491.db2.gz DWTZEJKOLJFSCL-LBPRGKRZSA-N -1 0 324.446 3.585 20 0 DHADRM CCSCc1cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424387344 337829667 /nfs/dbraw/zinc/82/96/67/337829667.db2.gz XEFJFHWFLXPIFX-UHFFFAOYSA-N -1 0 324.446 3.562 20 0 DHADRM Cc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3C)c[nH]c21 ZINC000120211640 337871466 /nfs/dbraw/zinc/87/14/66/337871466.db2.gz WTHPQHMLJZZHPE-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000120203899 337871563 /nfs/dbraw/zinc/87/15/63/337871563.db2.gz QSLPVHKHUIFNMX-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM O=C(c1ccc(Cl)cc1[O-])N1CCCc2cc(F)ccc21 ZINC000122045083 337906587 /nfs/dbraw/zinc/90/65/87/337906587.db2.gz BQBPQVHLNZLORW-UHFFFAOYSA-N -1 0 305.736 3.778 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000515062536 337977822 /nfs/dbraw/zinc/97/78/22/337977822.db2.gz BCXWRENXPBZXML-SJORKVTESA-N -1 0 315.413 3.560 20 0 DHADRM Cc1cc(NC(=O)c2cc3c(s2)CCC3)cc(C(=O)[O-])c1C ZINC000314992378 337977939 /nfs/dbraw/zinc/97/79/39/337977939.db2.gz IFLFSKWTTJACFK-UHFFFAOYSA-N -1 0 315.394 3.804 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000515500412 337990917 /nfs/dbraw/zinc/99/09/17/337990917.db2.gz VLDRZQYBCYIMTE-OAHLLOKOSA-N -1 0 317.429 3.506 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)c(F)cc1F ZINC000084650218 338003785 /nfs/dbraw/zinc/00/37/85/338003785.db2.gz JPRIAKPZKMZKRW-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C3CCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000516156443 338006552 /nfs/dbraw/zinc/00/65/52/338006552.db2.gz XURMIRUEPCSUNC-BLLLJJGKSA-N -1 0 316.401 3.671 20 0 DHADRM CCc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000426664446 338037431 /nfs/dbraw/zinc/03/74/31/338037431.db2.gz FTCGXEBCJBFHGO-UHFFFAOYSA-N -1 0 318.804 3.594 20 0 DHADRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3)cc2)n1 ZINC000426675398 338037862 /nfs/dbraw/zinc/03/78/62/338037862.db2.gz RSKAPLXTOQGLNX-UHFFFAOYSA-N -1 0 324.405 3.798 20 0 DHADRM Cc1cccc([C@H](NCc2coc3ccccc23)C(=O)[O-])c1C ZINC000426734805 338039804 /nfs/dbraw/zinc/03/98/04/338039804.db2.gz RCXMDQNVDMKULF-SFHVURJKSA-N -1 0 309.365 3.965 20 0 DHADRM O=C([O-])[C@H](NCc1coc2ccccc12)c1c(F)cccc1F ZINC000426742390 338040233 /nfs/dbraw/zinc/04/02/33/338040233.db2.gz JJSZQACLFMMXJE-MRXNPFEDSA-N -1 0 317.291 3.627 20 0 DHADRM CC(C)(C)CC[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000426753997 338040722 /nfs/dbraw/zinc/04/07/22/338040722.db2.gz MTVDHFKKCQJTLE-HNNXBMFYSA-N -1 0 316.401 3.711 20 0 DHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cnc2ccccc2c1 ZINC000430978642 338119984 /nfs/dbraw/zinc/11/99/84/338119984.db2.gz PZKCZRCJKRFGBC-UHFFFAOYSA-N -1 0 323.377 3.517 20 0 DHADRM CSc1cccc([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431145117 338123664 /nfs/dbraw/zinc/12/36/64/338123664.db2.gz FTVLUCNQHRMGMH-UHFFFAOYSA-N -1 0 313.469 3.888 20 0 DHADRM CCC(CC)CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000431465818 338131293 /nfs/dbraw/zinc/13/12/93/338131293.db2.gz QLEUCXDEVJDCNW-UHFFFAOYSA-N -1 0 307.390 3.937 20 0 DHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000431539693 338133346 /nfs/dbraw/zinc/13/33/46/338133346.db2.gz RPMAGKPTRBPBFX-WBVHZDCISA-N -1 0 319.445 3.509 20 0 DHADRM Cc1ccc([C@@H](CNC(=O)C2(C)CCCCCC2)C(=O)[O-])cc1 ZINC000431540138 338133386 /nfs/dbraw/zinc/13/33/86/338133386.db2.gz WHZUOJUGGNWOFS-MRXNPFEDSA-N -1 0 317.429 3.640 20 0 DHADRM Cc1ncsc1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431560884 338133827 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Cc1cccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000432348742 338153728 /nfs/dbraw/zinc/15/37/28/338153728.db2.gz SQNDZRDFXRQJBX-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)sc1C ZINC000432619603 338160977 /nfs/dbraw/zinc/16/09/77/338160977.db2.gz RCIBWDKXIBNUJJ-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM CCCNc1ccc(CN=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000433790943 338201972 /nfs/dbraw/zinc/20/19/72/338201972.db2.gz ADOUVWCEWXVXBZ-UHFFFAOYSA-N -1 0 304.463 3.692 20 0 DHADRM O=C([O-])c1cccc(/C=C\c2ncc(Br)s2)c1 ZINC000434633120 338221972 /nfs/dbraw/zinc/22/19/72/338221972.db2.gz DTIASJUDMTZKRY-PLNGDYQASA-N -1 0 310.172 3.774 20 0 DHADRM CSc1ccc2[nH]c(-c3n[nH]c4cc(C(=O)[O-])ccc43)nc2c1 ZINC000435686419 338245236 /nfs/dbraw/zinc/24/52/36/338245236.db2.gz USXAEBWJDAGQPG-UHFFFAOYSA-N -1 0 324.365 3.526 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436523009 338274942 /nfs/dbraw/zinc/27/49/42/338274942.db2.gz POEORLWQWDSMAD-UHFFFAOYSA-N -1 0 319.351 3.898 20 0 DHADRM O=C([O-])C/C(=C/c1ccc(O)c(F)c1)c1nc2ccccc2o1 ZINC000436529918 338275403 /nfs/dbraw/zinc/27/54/03/338275403.db2.gz PMMJSGRUQZKEHB-XFFZJAGNSA-N -1 0 313.284 3.688 20 0 DHADRM CN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436546700 338276536 /nfs/dbraw/zinc/27/65/36/338276536.db2.gz LBBMRRYQVMDLSZ-UHFFFAOYSA-N -1 0 316.106 3.723 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc3nccc(C)c3c2)c1 ZINC000436576500 338277961 /nfs/dbraw/zinc/27/79/61/338277961.db2.gz LPSRXNBRIOHGEJ-UHFFFAOYSA-N -1 0 320.348 3.704 20 0 DHADRM CC[C@@H](C)c1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cn1 ZINC000436640720 338281039 /nfs/dbraw/zinc/28/10/39/338281039.db2.gz QSRZDTLTVICQCW-MRVPVSSYSA-N -1 0 323.755 3.741 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2)c1 ZINC000436648183 338281273 /nfs/dbraw/zinc/28/12/73/338281273.db2.gz MKUUQVXFEOYNQS-UHFFFAOYSA-N -1 0 311.381 3.901 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000436650876 338281486 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323.751 3.974 20 0 DHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1c([O-])cccc1F ZINC000436791884 338287582 /nfs/dbraw/zinc/28/75/82/338287582.db2.gz LSRMQXYINRXTLW-LLVKDONJSA-N -1 0 305.353 3.587 20 0 DHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3[O-])n[nH]2)o1 ZINC000436803562 338287972 /nfs/dbraw/zinc/28/79/72/338287972.db2.gz QHUNQZOXMBDQGW-UHFFFAOYSA-N -1 0 317.732 3.589 20 0 DHADRM Cc1ccc(C)c(CN(C)C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436874637 338291159 /nfs/dbraw/zinc/29/11/59/338291159.db2.gz UMJZRIGHTLYQJX-UHFFFAOYSA-N -1 0 303.789 3.935 20 0 DHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1c(F)cccc1F ZINC000436891713 338292162 /nfs/dbraw/zinc/29/21/62/338292162.db2.gz GZUHMDNBAJGDME-QMMMGPOBSA-N -1 0 311.715 3.815 20 0 DHADRM Cc1cc(C)cc(CN(C)C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436901060 338292681 /nfs/dbraw/zinc/29/26/81/338292681.db2.gz LLSKCHRUHRUJJY-UHFFFAOYSA-N -1 0 305.324 3.559 20 0 DHADRM CC[C@@H](C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])on1 ZINC000436906845 338292912 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341194728 /nfs/dbraw/zinc/19/47/28/341194728.db2.gz LBHKQGBFUHKAQT-UHFFFAOYSA-N -1 0 309.431 3.735 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000236692866 341194770 /nfs/dbraw/zinc/19/47/70/341194770.db2.gz GPTYDMBZSILVJP-UHFFFAOYSA-N -1 0 303.402 3.673 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000236721685 341196754 /nfs/dbraw/zinc/19/67/54/341196754.db2.gz KJASENJKJCUREQ-UHFFFAOYSA-N -1 0 319.307 3.579 20 0 DHADRM CCCCCOCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236760904 341198705 /nfs/dbraw/zinc/19/87/05/341198705.db2.gz WYYOPKGEONVYDW-UHFFFAOYSA-N -1 0 321.398 3.745 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236877397 341203972 /nfs/dbraw/zinc/20/39/72/341203972.db2.gz MENXHRWETJACHU-YJBOKZPZSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cc(NC(=O)C(C)(C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000237686827 341218292 /nfs/dbraw/zinc/21/82/92/341218292.db2.gz XDUGAQHMVYTSRP-UHFFFAOYSA-N -1 0 311.381 3.901 20 0 DHADRM 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C/C=C\C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000565768345 341537687 /nfs/dbraw/zinc/53/76/87/341537687.db2.gz UGGRLPMZHDIKJW-OTDNITJGSA-N -1 0 317.172 3.534 20 0 DHADRM C[C@@H](NCc1cccc(C2CC2)c1)c1ncc(C(=O)[O-])s1 ZINC000566239909 341551577 /nfs/dbraw/zinc/55/15/77/341551577.db2.gz YDZLPPRHNSNMMH-SNVBAGLBSA-N -1 0 302.399 3.570 20 0 DHADRM COc1cccc2c1ncc(C(=O)[O-])c2SC1CCCC1 ZINC000566295186 341553217 /nfs/dbraw/zinc/55/32/17/341553217.db2.gz POBAIVBJXFQOGN-UHFFFAOYSA-N -1 0 303.383 3.976 20 0 DHADRM CCCOc1cncc(-c2ccccc2OCCCC(=O)[O-])c1 ZINC000566494194 341559923 /nfs/dbraw/zinc/55/99/23/341559923.db2.gz MLBTVVKWQLTTIW-UHFFFAOYSA-N -1 0 315.369 3.781 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000567366492 341599107 /nfs/dbraw/zinc/59/91/07/341599107.db2.gz AENXWVROSKCTTI-WBVHZDCISA-N -1 0 317.429 3.501 20 0 DHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)C1(C(=O)[O-])CCC1 ZINC000567967356 341643229 /nfs/dbraw/zinc/64/32/29/341643229.db2.gz LPXBQZSOBPQMIO-UHFFFAOYSA-N -1 0 323.392 3.567 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000569140138 341692082 /nfs/dbraw/zinc/69/20/82/341692082.db2.gz DBESFWIIUVQKBS-AWEZNQCLSA-N -1 0 317.410 3.601 20 0 DHADRM C[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1c(F)cncc1F ZINC000574067259 341747501 /nfs/dbraw/zinc/74/75/01/341747501.db2.gz BYAOAOWFYLNIBJ-SECBINFHSA-N -1 0 324.400 3.854 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574522373 341761038 /nfs/dbraw/zinc/76/10/38/341761038.db2.gz UPDQWTISYQGZPA-LMPOIIKSSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1ccccc1[C@H]1C[C@H](N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000574541158 341761612 /nfs/dbraw/zinc/76/16/12/341761612.db2.gz DBFJEPYCOZTXIN-MGCOHNPYSA-N -1 0 313.348 3.645 20 0 DHADRM CC[C@](NC(=O)Nc1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC000575072457 341775231 /nfs/dbraw/zinc/77/52/31/341775231.db2.gz OUTJMPLJGYHOTM-GOSISDBHSA-N -1 0 312.369 3.507 20 0 DHADRM CC[C@@](NC(=O)Nc1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC000575072458 341775255 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522513187 /nfs/dbraw/zinc/51/31/87/522513187.db2.gz CYTNXXCGXKTEJS-GUTXKFCHSA-N -1 0 323.820 3.798 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)CCCc1csc2ccccc12 ZINC000237257045 522722102 /nfs/dbraw/zinc/72/21/02/522722102.db2.gz OKENYXWAHURJKR-UHFFFAOYSA-N -1 0 319.426 3.547 20 0 DHADRM COc1ccc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237175599 524319031 /nfs/dbraw/zinc/31/90/31/524319031.db2.gz IGYMQKLBQWLTPZ-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM Cc1ccc(CCN(CCCCC(=O)[O-])CC(F)(F)F)cc1 ZINC000181569857 524322255 /nfs/dbraw/zinc/32/22/55/524322255.db2.gz HXJHIGIDJIMKQE-UHFFFAOYSA-N -1 0 317.351 3.657 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000237531279 524489042 /nfs/dbraw/zinc/48/90/42/524489042.db2.gz PRWHGDMEVKOFHK-IUODEOHRSA-N -1 0 313.353 3.591 20 0 DHADRM C[C@H]1C[C@@H](CC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC000364167161 524776282 /nfs/dbraw/zinc/77/62/82/524776282.db2.gz GXYGLTWQUGEXPV-KBPBESRZSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179962345 524848068 /nfs/dbraw/zinc/84/80/68/524848068.db2.gz XRFLFGVKLZBOQI-ULQDDVLXSA-N -1 0 315.413 3.550 20 0 DHADRM Cc1cc(NC(=O)c2ncccc2[O-])ccc1Oc1cccnc1 ZINC000338087344 525260945 /nfs/dbraw/zinc/26/09/45/525260945.db2.gz ZRICRIDQQMDSHD-UHFFFAOYSA-N -1 0 321.336 3.535 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179962295 525435924 /nfs/dbraw/zinc/43/59/24/525435924.db2.gz OONLXOUIOKBSAQ-YQQAZPJKSA-N -1 0 315.413 3.550 20 0 DHADRM Cc1c(C(=O)NCCCCCC(=O)[O-])oc2c1c(C)ccc2C ZINC000237530643 525608089 /nfs/dbraw/zinc/60/80/89/525608089.db2.gz ZFYKRMQVMNSZFC-UHFFFAOYSA-N -1 0 317.385 3.733 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)CCC(=O)[O-])cc1 ZINC000237529412 525765980 /nfs/dbraw/zinc/76/59/80/525765980.db2.gz NWLZSIANJIMZAW-LBPRGKRZSA-N -1 0 317.410 3.707 20 0 DHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000171790611 526066465 /nfs/dbraw/zinc/06/64/65/526066465.db2.gz 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CC[C@H](OC(=O)[C@H](C)CC(=O)[O-])c1c(F)cccc1Cl ZINC000829004336 602049155 /nfs/dbraw/zinc/04/91/55/602049155.db2.gz GFQJCTJSLXNZMS-KCJUWKMLSA-N -1 0 302.729 3.584 20 0 DHADRM CC[C@@H](C)Sc1ccc(NC(=O)N(C)CCC(=O)[O-])c(C)c1 ZINC000263497041 596986204 /nfs/dbraw/zinc/98/62/04/596986204.db2.gz RHNLIXLMHCVWFE-GFCCVEGCSA-N -1 0 324.446 3.824 20 0 DHADRM C[C@H](SCc1cccc(C(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC000739056034 597071419 /nfs/dbraw/zinc/07/14/19/597071419.db2.gz QCPOZTZIGIYYSL-LBPRGKRZSA-N -1 0 315.394 3.645 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000315531546 597115778 /nfs/dbraw/zinc/11/57/78/597115778.db2.gz JNCZSNSSCWXVRC-CYBMUJFWSA-N -1 0 304.390 3.529 20 0 DHADRM Cc1ccc(-c2n[nH]cc2CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000818858808 597138464 /nfs/dbraw/zinc/13/84/64/597138464.db2.gz JJANVIWMWUQFAL-UHFFFAOYSA-N -1 0 321.380 3.624 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCCC(=O)[O-] ZINC000263468107 597319162 /nfs/dbraw/zinc/31/91/62/597319162.db2.gz 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ZINC000738464033 599708817 /nfs/dbraw/zinc/70/88/17/599708817.db2.gz XQPHYKILGSUBJO-UHFFFAOYSA-N -1 0 313.781 3.725 20 0 DHADRM O=C([O-])[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000037960309 599709149 /nfs/dbraw/zinc/70/91/49/599709149.db2.gz VQJAIRYQLSFXAV-CYBMUJFWSA-N -1 0 324.149 3.826 20 0 DHADRM CN(Cc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737491792 599709729 /nfs/dbraw/zinc/70/97/29/599709729.db2.gz JTMIHXTVJJGHQB-OAHLLOKOSA-N -1 0 307.752 3.737 20 0 DHADRM CCCCc1ccc([C@@H](NC(=O)CCNC(=O)[O-])C(C)C)cc1 ZINC000737001665 599712302 /nfs/dbraw/zinc/71/23/02/599712302.db2.gz WQFAGXAJOACBKK-KRWDZBQOSA-N -1 0 320.433 3.500 20 0 DHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736775113 599716858 /nfs/dbraw/zinc/71/68/58/599716858.db2.gz KFXREBINOIZUAX-CMPLNLGQSA-N -1 0 323.368 3.958 20 0 DHADRM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1c(F)cccc1F ZINC000576590140 599718858 /nfs/dbraw/zinc/71/88/58/599718858.db2.gz QLJRZVZQXURHTI-UHFFFAOYSA-N -1 0 309.312 3.587 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)CCCNC(=O)[O-] ZINC000738314239 599719139 /nfs/dbraw/zinc/71/91/39/599719139.db2.gz LZPPKGZDQVMWDB-UHFFFAOYSA-N -1 0 312.369 3.648 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(Cl)c1 ZINC000052944193 599732202 /nfs/dbraw/zinc/73/22/02/599732202.db2.gz PVOPZJUTYFMPBC-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1oc(CS[C@@H](C)c2nc(C3CC3)no2)cc1C(=O)[O-] ZINC000738977341 599734558 /nfs/dbraw/zinc/73/45/58/599734558.db2.gz XJWULXVHAAOYSC-QMMMGPOBSA-N -1 0 308.359 3.541 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000737257517 599745567 /nfs/dbraw/zinc/74/55/67/599745567.db2.gz QEQZBLGSXBVIMJ-CYBMUJFWSA-N -1 0 323.392 3.640 20 0 DHADRM C[C@@]1(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)CCCc2ccccc21 ZINC000736728447 599751558 /nfs/dbraw/zinc/75/15/58/599751558.db2.gz KBHPKSRPMUSTRK-YLJYHZDGSA-N -1 0 324.376 3.650 20 0 DHADRM C[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000736699775 599786866 /nfs/dbraw/zinc/78/68/66/599786866.db2.gz 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ZINC000738079122 599831570 /nfs/dbraw/zinc/83/15/70/599831570.db2.gz OCTZACONVGHFPK-WOJGMQOQSA-N -1 0 305.333 3.869 20 0 DHADRM O=C(C=C1CCCCC1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000739207938 599834867 /nfs/dbraw/zinc/83/48/67/599834867.db2.gz CCUWFSYRIPRMSS-UHFFFAOYSA-N -1 0 305.399 3.764 20 0 DHADRM CN(C(=O)c1ccc(C(F)F)cc1)c1ccccc1C(=O)[O-] ZINC000737336547 599837058 /nfs/dbraw/zinc/83/70/58/599837058.db2.gz MSTGSKHTOWUTDO-UHFFFAOYSA-N -1 0 305.280 3.599 20 0 DHADRM CN(C(=O)/C=C/c1ccccc1Cl)c1ccccc1C(=O)[O-] ZINC000314295633 599838321 /nfs/dbraw/zinc/83/83/21/599838321.db2.gz SUFYUTOTMHYCGS-ZHACJKMWSA-N -1 0 315.756 3.714 20 0 DHADRM C/C(=C/C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(F)cc1 ZINC000736119975 599843179 /nfs/dbraw/zinc/84/31/79/599843179.db2.gz CRTVSIQDCHOGQI-KTKRTIGZSA-N -1 0 317.291 3.705 20 0 DHADRM O=C([O-])c1coc(CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000563278790 599847095 /nfs/dbraw/zinc/84/70/95/599847095.db2.gz VWBKLZQDAKOSQX-HNNXBMFYSA-N -1 0 305.761 3.968 20 0 DHADRM 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DHADRM CC(C)COc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000391404011 600897117 /nfs/dbraw/zinc/89/71/17/600897117.db2.gz UHUHKXZPNIKSLS-ZIAGYGMSSA-N -1 0 319.401 3.551 20 0 DHADRM CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000829590944 600903956 /nfs/dbraw/zinc/90/39/56/600903956.db2.gz KEIOYOXYELBUCQ-LSDHHAIUSA-N -1 0 303.402 3.547 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000779429093 600905950 /nfs/dbraw/zinc/90/59/50/600905950.db2.gz YHQMKTYOPSIURH-KBPBESRZSA-N -1 0 317.429 3.838 20 0 DHADRM Cc1ccc([C@H](CNC(=O)C2CCCCCCC2)C(=O)[O-])cc1 ZINC000738554227 600906054 /nfs/dbraw/zinc/90/60/54/600906054.db2.gz KYRZEXSCIKYSIT-KRWDZBQOSA-N -1 0 317.429 3.640 20 0 DHADRM CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C)c1C ZINC000829590649 600908902 /nfs/dbraw/zinc/90/89/02/600908902.db2.gz AAPSBEHBZYQQOW-GJZGRUSLSA-N -1 0 303.402 3.547 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000320457855 600909987 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CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000829009450 600937993 /nfs/dbraw/zinc/93/79/93/600937993.db2.gz DBAGKSGRCWBFFR-INWMFGNUSA-N -1 0 320.385 3.664 20 0 DHADRM C[C@H](C(=O)Oc1cc(Cl)ccc1C(=O)[O-])c1cccc(F)c1 ZINC000826070540 600938709 /nfs/dbraw/zinc/93/87/09/600938709.db2.gz AANBTGPZZIDQJY-VIFPVBQESA-N -1 0 322.719 3.886 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000833187246 600945425 /nfs/dbraw/zinc/94/54/25/600945425.db2.gz RAPRCCAFMWVBSY-LSDHHAIUSA-N -1 0 324.380 3.578 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000833187244 600945441 /nfs/dbraw/zinc/94/54/41/600945441.db2.gz RAPRCCAFMWVBSY-HUUCEWRRSA-N -1 0 324.380 3.578 20 0 DHADRM Cc1ccc(N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000180121688 600951989 /nfs/dbraw/zinc/95/19/89/600951989.db2.gz VWPHQPBERSQVCW-NWDGAFQWSA-N -1 0 309.793 3.502 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736782216 600962956 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O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](CC2CC2)c2ccccc2)C1 ZINC000833183367 600971867 /nfs/dbraw/zinc/97/18/67/600971867.db2.gz VRPLEZIWLJPQTP-BRWVUGGUSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CCC[C@@H]1c1cccs1 ZINC000565101969 600982302 /nfs/dbraw/zinc/98/23/02/600982302.db2.gz BJKIRDMZYSUQKR-HIFRSBDPSA-N -1 0 305.374 3.850 20 0 DHADRM Cc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000094702899 600994014 /nfs/dbraw/zinc/99/40/14/600994014.db2.gz ZAWQYLHPKYCRNW-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000321225380 600994105 /nfs/dbraw/zinc/99/41/05/600994105.db2.gz ZSKCVAJMWMILHM-UHFFFAOYSA-N -1 0 316.332 3.832 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000321678998 600994610 /nfs/dbraw/zinc/99/46/10/600994610.db2.gz ITCVOBQUKDSQJL-OAHLLOKOSA-N -1 0 314.385 3.708 20 0 DHADRM C[C@H](C(=O)Nc1ccsc1C(=O)[O-])c1cccc(Cl)c1 ZINC000736218985 600996461 /nfs/dbraw/zinc/99/64/61/600996461.db2.gz 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ZINC000736891828 601028466 /nfs/dbraw/zinc/02/84/66/601028466.db2.gz FYVZJRIDGYHUCI-ZDUSSCGKSA-N -1 0 309.381 3.706 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000828238961 601028741 /nfs/dbraw/zinc/02/87/41/601028741.db2.gz LZYSVZAXCHKFEF-STQMWFEESA-N -1 0 319.405 3.843 20 0 DHADRM CCCCCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)C ZINC000314823086 601031251 /nfs/dbraw/zinc/03/12/51/601031251.db2.gz PIXVJWLBKJCVEC-UHFFFAOYSA-N -1 0 306.406 3.746 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829246235 601032585 /nfs/dbraw/zinc/03/25/85/601032585.db2.gz ZJZCUYVNIBOECO-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1sc(NC(=O)N([C@H](C)C2CC2)C2CC2)c(C(=O)[O-])c1C ZINC000833035968 601036352 /nfs/dbraw/zinc/03/63/52/601036352.db2.gz FVAFAOHVUCGBLQ-SECBINFHSA-N -1 0 322.430 3.858 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000829044557 601037469 /nfs/dbraw/zinc/03/74/69/601037469.db2.gz SOYMPNWRKQEGBQ-INIZCTEOSA-N -1 0 323.368 3.960 20 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601088469 /nfs/dbraw/zinc/08/84/69/601088469.db2.gz LJCPQCYYMUTRKR-UHFFFAOYSA-N -1 0 318.417 3.751 20 0 DHADRM CC[C@@H](C)CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316573955 601088481 /nfs/dbraw/zinc/08/84/81/601088481.db2.gz LNKFONDLHNAQOP-GFCCVEGCSA-N -1 0 306.406 3.559 20 0 DHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000388109836 601092657 /nfs/dbraw/zinc/09/26/57/601092657.db2.gz YWAQJWNQXRVVSL-NEPJUHHUSA-N -1 0 306.406 3.605 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000388109838 601092932 /nfs/dbraw/zinc/09/29/32/601092932.db2.gz YWAQJWNQXRVVSL-RYUDHWBXSA-N -1 0 306.406 3.605 20 0 DHADRM CCN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H](C)C(C)C ZINC000829597778 601093551 /nfs/dbraw/zinc/09/35/51/601093551.db2.gz UJFDFEDDMDIVMG-ZDUSSCGKSA-N -1 0 320.433 3.947 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000387877011 601094255 /nfs/dbraw/zinc/09/42/55/601094255.db2.gz ADRRJBWBSPYTPT-GFCCVEGCSA-N -1 0 306.406 3.557 20 0 DHADRM Cc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1Cl ZINC000237684862 601108046 /nfs/dbraw/zinc/10/80/46/601108046.db2.gz WSASEMQYIDDAHA-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000315986520 601136769 /nfs/dbraw/zinc/13/67/69/601136769.db2.gz HMDJALWXBHCHOQ-LLVKDONJSA-N -1 0 318.398 3.980 20 0 DHADRM Cc1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000387788739 601137523 /nfs/dbraw/zinc/13/75/23/601137523.db2.gz KNYQERWZJVYSFY-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000320625261 601144055 /nfs/dbraw/zinc/14/40/55/601144055.db2.gz XSZYDUZELCQBMM-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM Cc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000832912058 601144897 /nfs/dbraw/zinc/14/48/97/601144897.db2.gz GVVCIINLFIWSKN-UHFFFAOYSA-N -1 0 321.735 3.519 20 0 DHADRM CC(C)N(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000826924805 601152955 /nfs/dbraw/zinc/15/29/55/601152955.db2.gz OXKXBLRPBPNCDJ-OLZOCXBDSA-N -1 0 323.820 3.972 20 0 DHADRM Cc1ccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000832934394 601153412 /nfs/dbraw/zinc/15/34/12/601153412.db2.gz DCHLLQVSRUBLJC-HUUCEWRRSA-N -1 0 303.402 3.627 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC000832930956 601154342 /nfs/dbraw/zinc/15/43/42/601154342.db2.gz WHDAMJBAELSGSS-UHFFFAOYSA-N -1 0 321.373 3.855 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262488892 601166685 /nfs/dbraw/zinc/16/66/85/601166685.db2.gz LRIWFIPPTXPDCC-ZQIUZPCESA-N -1 0 305.418 3.637 20 0 DHADRM CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000767067263 601167472 /nfs/dbraw/zinc/16/74/72/601167472.db2.gz JJMMRLNKCUOBSU-XHDPSFHLSA-N -1 0 317.410 3.502 20 0 DHADRM C/C=C(\C)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000828534346 601175689 /nfs/dbraw/zinc/17/56/89/601175689.db2.gz JDBIPEKOZQATBS-XCVCLJGOSA-N -1 0 317.366 3.518 20 0 DHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000827682085 601176478 /nfs/dbraw/zinc/17/64/78/601176478.db2.gz UNWDEODBCZVIPT-CHWSQXEVSA-N -1 0 312.369 3.699 20 0 DHADRM CC[C@@H](C)CN(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000316187574 601190600 /nfs/dbraw/zinc/19/06/00/601190600.db2.gz QPESDSRXKFGOKZ-SECBINFHSA-N -1 0 314.332 3.563 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000827826471 601191832 /nfs/dbraw/zinc/19/18/32/601191832.db2.gz OBMMAZIMHBWKQL-DRZSPHRISA-N -1 0 310.777 3.835 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000825941772 601192401 /nfs/dbraw/zinc/19/24/01/601192401.db2.gz BMCDVJYEBCOODK-WCQYABFASA-N -1 0 318.369 3.709 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cccc3[nH]ccc32)ccc1Cl ZINC000386509125 601196022 /nfs/dbraw/zinc/19/60/22/601196022.db2.gz RPJDRVDZCAOZEK-UHFFFAOYSA-N -1 0 314.728 3.772 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(-c3ccccc3Cl)no2)C1 ZINC000314592562 601206866 /nfs/dbraw/zinc/20/68/66/601206866.db2.gz HVUURTYLSJOFQA-NXEZZACHSA-N -1 0 306.749 3.748 20 0 DHADRM CO[C@@H](C)c1nc(COc2ccccc2NC(=O)[O-])cs1 ZINC000831505225 601229453 /nfs/dbraw/zinc/22/94/53/601229453.db2.gz KABYMEATVRDJCC-VIFPVBQESA-N -1 0 308.359 3.519 20 0 DHADRM C/C=C/c1ccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000828543918 601236166 /nfs/dbraw/zinc/23/61/66/601236166.db2.gz YPDGZBFBEKKFSM-KBUVRSHFSA-N -1 0 318.369 3.525 20 0 DHADRM O=C([O-])c1cc(NCC2CC2)c2cc(Br)ccc2n1 ZINC000833300557 601248278 /nfs/dbraw/zinc/24/82/78/601248278.db2.gz QPIRLMSNOILDLE-UHFFFAOYSA-N -1 0 321.174 3.517 20 0 DHADRM COc1ccc(F)cc1CNc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832378673 601250434 /nfs/dbraw/zinc/25/04/34/601250434.db2.gz QIRRXCILOMKPJW-UHFFFAOYSA-N -1 0 318.348 3.556 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(Cl)nc2)cc1 ZINC000826126794 601250810 /nfs/dbraw/zinc/25/08/10/601250810.db2.gz JUFRTMWVFIPBGU-UHFFFAOYSA-N -1 0 304.777 3.709 20 0 DHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828148588 601266882 /nfs/dbraw/zinc/26/68/82/601266882.db2.gz 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/nfs/dbraw/zinc/29/65/31/603296531.db2.gz HXSOWWUTTDWEPJ-YDHLFZDLSA-N -1 0 320.433 3.524 20 0 DHADRM C[C@@H](N(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)C(C)(C)C ZINC000823647030 603296641 /nfs/dbraw/zinc/29/66/41/603296641.db2.gz HXSOWWUTTDWEPJ-GUTXKFCHSA-N -1 0 320.433 3.524 20 0 DHADRM C[C@@H](N(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)C(C)(C)C ZINC000823647031 603296657 /nfs/dbraw/zinc/29/66/57/603296657.db2.gz HXSOWWUTTDWEPJ-GZBFAFLISA-N -1 0 320.433 3.524 20 0 DHADRM Cc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1NC(=O)[O-] ZINC000830186435 603298074 /nfs/dbraw/zinc/29/80/74/603298074.db2.gz HMIVRMACJOCIQL-UHFFFAOYSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1NC(=O)[O-] ZINC000830182038 603306896 /nfs/dbraw/zinc/30/68/96/603306896.db2.gz NTBKWKPQRZXUJS-NSHDSACASA-N -1 0 302.330 3.511 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C)Cc2cccs2)cc1NC(=O)[O-] ZINC000830205220 603315308 /nfs/dbraw/zinc/31/53/08/603315308.db2.gz NEWGKDOKCVPADT-NSHDSACASA-N -1 0 318.398 3.507 20 0 DHADRM COc1ccc(NC(=O)/C=C(/C)C(C)(C)C)cc1NC(=O)[O-] ZINC000829448447 603321253 /nfs/dbraw/zinc/32/12/53/603321253.db2.gz RALUVKQBQNEVMX-NTMALXAHSA-N -1 0 306.362 3.716 20 0 DHADRM C[C@@H]1CCCCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739109537 603338580 /nfs/dbraw/zinc/33/85/80/603338580.db2.gz TWIMDXUHCYDJPX-CYBMUJFWSA-N -1 0 319.405 3.593 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000826819451 603344624 /nfs/dbraw/zinc/34/46/24/603344624.db2.gz CLHYTSWMGMZFDV-QGZVFWFLSA-N -1 0 312.454 3.632 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)CC2)cc1 ZINC000825443036 603375494 /nfs/dbraw/zinc/37/54/94/603375494.db2.gz WDYMNIHOBAWJKJ-YRGRVCCFSA-N -1 0 319.405 3.715 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000824251967 603381625 /nfs/dbraw/zinc/38/16/25/603381625.db2.gz RDELWZADFGWWJK-LBPRGKRZSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCC2(C)CCCC2)cc1 ZINC000825434306 603384557 /nfs/dbraw/zinc/38/45/57/603384557.db2.gz PWUNJANTPCHIMI-LBPRGKRZSA-N -1 0 319.405 3.717 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CC2CCCC2)cc1 ZINC000825423977 603390323 /nfs/dbraw/zinc/39/03/23/603390323.db2.gz XUOPBMXMOLWJDZ-GFCCVEGCSA-N -1 0 319.405 3.669 20 0 DHADRM Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830215780 603398059 /nfs/dbraw/zinc/39/80/59/603398059.db2.gz BOFREYNBQVPJGX-DGCLKSJQSA-N -1 0 304.390 3.641 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738691952 603420278 /nfs/dbraw/zinc/42/02/78/603420278.db2.gz PLWIJUURBSNXON-CYBMUJFWSA-N -1 0 312.369 3.884 20 0 DHADRM COc1cccc(-c2noc(-c3ccc(NC(=O)[O-])cc3)n2)c1 ZINC000829530632 603423439 /nfs/dbraw/zinc/42/34/39/603423439.db2.gz BJODGDHQFXDBIS-UHFFFAOYSA-N -1 0 311.297 3.502 20 0 DHADRM C/C(=C/C(=O)Nc1ccccc1CN(C)C(=O)[O-])C(C)(C)C ZINC000823528572 603424257 /nfs/dbraw/zinc/42/42/57/603424257.db2.gz VVYUSWJCUVISBU-BENRWUELSA-N -1 0 304.390 3.727 20 0 DHADRM CC[C@@H](CC(=O)N1CCCN(C(=O)[O-])c2ccccc21)C(C)C ZINC000739250961 603431466 /nfs/dbraw/zinc/43/14/66/603431466.db2.gz WXQYXNJKVABXQX-AWEZNQCLSA-N -1 0 318.417 3.980 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739089812 603431488 /nfs/dbraw/zinc/43/14/88/603431488.db2.gz FOCGACGUUCDRBF-KGLIPLIRSA-N -1 0 316.401 3.734 20 0 DHADRM C[C@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000823669293 603449834 /nfs/dbraw/zinc/44/98/34/603449834.db2.gz MIPKFVVSVJGGFS-ZDUSSCGKSA-N -1 0 316.401 3.734 20 0 DHADRM Cc1cc2ccccc2n1CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738248945 603481396 /nfs/dbraw/zinc/48/13/96/603481396.db2.gz FXELGMJOWFEHIA-UHFFFAOYSA-N -1 0 324.336 3.645 20 0 DHADRM CC(C)N(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824323502 603535212 /nfs/dbraw/zinc/53/52/12/603535212.db2.gz DTOIXXMSUQGJDP-WCQYABFASA-N -1 0 324.808 3.518 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825860410 603584927 /nfs/dbraw/zinc/58/49/27/603584927.db2.gz JEHONPCLMMSXPH-XUJVJEKNSA-N -1 0 317.389 3.961 20 0 DHADRM Cc1ccc(CCc2nc(-c3cccc(NC(=O)[O-])c3)no2)o1 ZINC000830301901 603642835 /nfs/dbraw/zinc/64/28/35/603642835.db2.gz CFRFTKNWYWSSOA-UHFFFAOYSA-N -1 0 313.313 3.513 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000826661524 603768918 /nfs/dbraw/zinc/76/89/18/603768918.db2.gz RQUXSVQRJOKMHH-KOLCDFICSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1cc(F)c(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1F ZINC000830055027 603822711 /nfs/dbraw/zinc/82/27/11/603822711.db2.gz MSAQROJSEIOXSO-UHFFFAOYSA-N -1 0 324.258 3.755 20 0 DHADRM O=C([O-])N1CCCN(Cc2ccc(Cl)nc2)c2ccccc21 ZINC000832014753 603912271 /nfs/dbraw/zinc/91/22/71/603912271.db2.gz BTVQUTZJVJRVDC-UHFFFAOYSA-N -1 0 317.776 3.630 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000826775711 603988690 /nfs/dbraw/zinc/98/86/90/603988690.db2.gz SXBBNAWSHFMCGK-GFCCVEGCSA-N -1 0 305.378 3.821 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)CCN(C(=O)[O-])C(C)C ZINC000830471082 604028854 /nfs/dbraw/zinc/02/88/54/604028854.db2.gz DWPFQHMZICZXJV-UHFFFAOYSA-N -1 0 306.406 3.835 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1O ZINC000830522340 604117108 /nfs/dbraw/zinc/11/71/08/604117108.db2.gz QCYZGGNNXXXSHT-UHFFFAOYSA-N -1 0 320.732 3.696 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(F)ccc2O)c(Cl)c1 ZINC000832839207 604117898 /nfs/dbraw/zinc/11/78/98/604117898.db2.gz SWASJXFZGZKIBC-UHFFFAOYSA-N -1 0 324.695 3.527 20 0 DHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825713655 604142683 /nfs/dbraw/zinc/14/26/83/604142683.db2.gz DPUPBQPCCBZZNG-LBPRGKRZSA-N -1 0 309.341 3.616 20 0 DHADRM COc1ccc(NC(=O)[C@H](C)C2CCCC2)cc1NC(=O)[O-] ZINC000829442581 604245781 /nfs/dbraw/zinc/24/57/81/604245781.db2.gz NIEXKESNGGFIAW-SNVBAGLBSA-N -1 0 306.362 3.550 20 0 DHADRM Cc1nc(C)c(COC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830727201 604254627 /nfs/dbraw/zinc/25/46/27/604254627.db2.gz HOIFADJKXCUUOP-UHFFFAOYSA-N -1 0 320.370 3.515 20 0 DHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000829055480 604278309 /nfs/dbraw/zinc/27/83/09/604278309.db2.gz JOGMWTALCMUHNA-JGVFFNPUSA-N -1 0 318.826 3.500 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)CC ZINC000828541687 604280779 /nfs/dbraw/zinc/28/07/79/604280779.db2.gz GJQZIJYRZOHPSI-OFFIWVMYSA-N -1 0 302.374 3.647 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)CC ZINC000828543492 604294095 /nfs/dbraw/zinc/29/40/95/604294095.db2.gz VJHHILVHULWEPC-MNWLCMOXSA-N -1 0 301.386 3.900 20 0 DHADRM CSc1cccc(N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832785606 604302461 /nfs/dbraw/zinc/30/24/61/604302461.db2.gz OAONNEYQFXBNRH-UHFFFAOYSA-N -1 0 319.357 3.522 20 0 DHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832958556 604316118 /nfs/dbraw/zinc/31/61/18/604316118.db2.gz KUGHQLZQPCLFLM-UHFFFAOYSA-N -1 0 314.366 3.797 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828740390 604320282 /nfs/dbraw/zinc/32/02/82/604320282.db2.gz WITORKVWTCIYHG-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000833266780 604329676 /nfs/dbraw/zinc/32/96/76/604329676.db2.gz RSZQGTZEXFCDRN-UHFFFAOYSA-N -1 0 316.401 3.643 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccsc1)c1ccccc1 ZINC000826103722 604353217 /nfs/dbraw/zinc/35/32/17/604353217.db2.gz VECXWPKMMSHVOM-CYBMUJFWSA-N -1 0 318.398 3.722 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1F ZINC000833318559 604361343 /nfs/dbraw/zinc/36/13/43/604361343.db2.gz KBRHMRRSXVNCEO-UHFFFAOYSA-N -1 0 320.364 3.853 20 0 DHADRM Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000212520006 604376015 /nfs/dbraw/zinc/37/60/15/604376015.db2.gz DOBJSLWRXVZBRH-UHFFFAOYSA-N -1 0 313.737 3.800 20 0 DHADRM CC(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])=C1CCCC1 ZINC000825993945 604377583 /nfs/dbraw/zinc/37/75/83/604377583.db2.gz ARSQWIMXQFEFGQ-INIZCTEOSA-N -1 0 315.413 3.845 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000826103310 604385717 /nfs/dbraw/zinc/38/57/17/604385717.db2.gz PCKGROMXUDTMKZ-CYBMUJFWSA-N -1 0 321.760 3.515 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832963729 604387953 /nfs/dbraw/zinc/38/79/53/604387953.db2.gz KMDWZDGQLHYQQC-INIZCTEOSA-N -1 0 311.381 3.577 20 0 DHADRM Cc1cccc(N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)c1 ZINC000832970491 604389345 /nfs/dbraw/zinc/38/93/45/604389345.db2.gz YOEPVGRVYFCICQ-UHFFFAOYSA-N -1 0 315.344 3.888 20 0 DHADRM CCCC1(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000826769965 604456281 /nfs/dbraw/zinc/45/62/81/604456281.db2.gz WVBONNYRMIWGLZ-UHFFFAOYSA-N -1 0 302.374 3.636 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN(C)C1(C(=O)[O-])CCCC1 ZINC000659792334 604458257 /nfs/dbraw/zinc/45/82/57/604458257.db2.gz AXRLLNDGOFVEFL-UHFFFAOYSA-N -1 0 320.414 3.541 20 0 DHADRM C[C@H](OC(=O)CCCSC(C)(C)C)c1ccc(C(=O)[O-])o1 ZINC000833527459 604469996 /nfs/dbraw/zinc/46/99/96/604469996.db2.gz DALCPVVGZDVPIK-JTQLQIEISA-N -1 0 314.403 3.894 20 0 DHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000827117309 604478141 /nfs/dbraw/zinc/47/81/41/604478141.db2.gz AMZNTHGBAMFZAZ-CJNGLKHVSA-N -1 0 318.417 3.520 20 0 DHADRM CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829713383 604488228 /nfs/dbraw/zinc/48/82/28/604488228.db2.gz FAXLRNAFWCACGR-UHFFFAOYSA-N -1 0 318.398 3.543 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828201395 604489953 /nfs/dbraw/zinc/48/99/53/604489953.db2.gz RNUBVQNWUJIQOX-SCVCMEIPSA-N -1 0 308.403 3.631 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000832921101 604504972 /nfs/dbraw/zinc/50/49/72/604504972.db2.gz LNGYZGPNJJRTEB-LLVKDONJSA-N -1 0 318.398 3.946 20 0 DHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832973583 604507218 /nfs/dbraw/zinc/50/72/18/604507218.db2.gz DNQKKKRIOGIPIA-CYBMUJFWSA-N -1 0 316.382 3.564 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000833151626 604520193 /nfs/dbraw/zinc/52/01/93/604520193.db2.gz RVSCODWXLYEZSC-VXGBXAGGSA-N -1 0 308.403 3.537 20 0 DHADRM C[C@H](CCNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000827412700 604522637 /nfs/dbraw/zinc/52/26/37/604522637.db2.gz PTJZIOGUSSBZJW-LLVKDONJSA-N -1 0 318.398 3.762 20 0 DHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000827664423 604525467 /nfs/dbraw/zinc/52/54/67/604525467.db2.gz HBTNPPJJGWAHPS-MNOVXSKESA-N -1 0 318.398 3.760 20 0 DHADRM CC(C)(C)[C@H](OC(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000833428011 604535901 /nfs/dbraw/zinc/53/59/01/604535901.db2.gz SJMIOHVJHNXQAQ-LBPRGKRZSA-N -1 0 304.264 3.519 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccs2)C1 ZINC000649353311 604541372 /nfs/dbraw/zinc/54/13/72/604541372.db2.gz AKCJXBCYNZZHLV-RYUDHWBXSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1cc([C@H](C)OC(=O)/C=C/c2ccsc2)oc1C(=O)[O-] ZINC000832877531 604551054 /nfs/dbraw/zinc/55/10/54/604551054.db2.gz UJILYHFUXPFCSL-FSIBCCDJSA-N -1 0 306.339 3.665 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833385669 604553926 /nfs/dbraw/zinc/55/39/26/604553926.db2.gz 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C[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc2ccccc2c1 ZINC000424228324 953428700 /nfs/dbraw/zinc/42/87/00/953428700.db2.gz HWTUOLMQHSRQBZ-CYBMUJFWSA-N -1 0 313.397 3.560 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000427679039 953494816 /nfs/dbraw/zinc/49/48/16/953494816.db2.gz OPYQNVMOASQDPV-GFCCVEGCSA-N -1 0 323.820 3.521 20 0 DHADRM CC[C@H](NC(=O)Nc1cccc(C2CCCCC2)c1)C(=O)[O-] ZINC001593619541 953521267 /nfs/dbraw/zinc/52/12/67/953521267.db2.gz VJLWIPIXZOZRBD-HNNXBMFYSA-N -1 0 304.390 3.719 20 0 DHADRM CC[C@H](Nc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001593624823 953545275 /nfs/dbraw/zinc/54/52/75/953545275.db2.gz XRYSCKFTMSZAJT-LURJTMIESA-N -1 0 317.094 3.682 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NCc2cccc(C(F)F)c2)c1 ZINC001594771508 953560649 /nfs/dbraw/zinc/56/06/49/953560649.db2.gz WFZVFAGUFDJAFR-UHFFFAOYSA-N -1 0 320.295 3.644 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000532255982 953562619 /nfs/dbraw/zinc/56/26/19/953562619.db2.gz IVFNHWJAQZQXLC-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CC(C)(c1ccccc1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC001602959160 971941221 /nfs/dbraw/zinc/94/12/21/971941221.db2.gz SKJZKZNOCDOCRE-NRFANRHFSA-N -1 0 302.395 3.569 20 0 DHADRM CCc1cc2c(nc(C)nc2NC(C)(C)CCC(=O)[O-])s1 ZINC001593634063 953599868 /nfs/dbraw/zinc/59/98/68/953599868.db2.gz LHVVGHNBOSWARL-UHFFFAOYSA-N -1 0 307.419 3.617 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001589294447 953633296 /nfs/dbraw/zinc/63/32/96/953633296.db2.gz KPZWJHHYAVPEQA-SUMWQHHRSA-N -1 0 309.365 3.608 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001589298098 953663889 /nfs/dbraw/zinc/66/38/89/953663889.db2.gz GNHMMQFPHQUGNY-CHWSQXEVSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1C ZINC001589299346 953681064 /nfs/dbraw/zinc/68/10/64/953681064.db2.gz JXZYLBCDGNTHNY-HGTKMLMNSA-N -1 0 315.413 3.664 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc(C)c1Cl ZINC000576755654 953690310 /nfs/dbraw/zinc/69/03/10/953690310.db2.gz UFFATEHYNUDEBJ-NOZJJQNGSA-N -1 0 324.808 3.531 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC001594810177 953808466 /nfs/dbraw/zinc/80/84/66/953808466.db2.gz DNMIKYRIXBASPA-UHFFFAOYSA-N -1 0 322.267 3.630 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC1(C2CCCCC2)CC1 ZINC001594811192 953825588 /nfs/dbraw/zinc/82/55/88/953825588.db2.gz VDFFZSPHYOIRAV-UHFFFAOYSA-N -1 0 302.374 3.619 20 0 DHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccn1 ZINC000630141202 953840600 /nfs/dbraw/zinc/84/06/00/953840600.db2.gz YVVUAYUUCVMLQH-OAHLLOKOSA-N -1 0 312.369 3.611 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccn1 ZINC000630141201 953840840 /nfs/dbraw/zinc/84/08/40/953840840.db2.gz YVVUAYUUCVMLQH-HNNXBMFYSA-N -1 0 312.369 3.611 20 0 DHADRM O=C([O-])CCCCNC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000634804142 953869397 /nfs/dbraw/zinc/86/93/97/953869397.db2.gz XLIPZKSDJUSPKT-UHFFFAOYSA-N -1 0 321.373 3.539 20 0 DHADRM O=C(COc1ccc(Cl)cc1Cl)[N-]OC1CCCCC1 ZINC000777964842 1032060578 /nfs/dbraw/zinc/06/05/78/1032060578.db2.gz NNMCATRBUDHBSG-UHFFFAOYSA-N -1 0 318.200 3.753 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000647736924 953972841 /nfs/dbraw/zinc/97/28/41/953972841.db2.gz VODOEBRLWSOFPN-KWQFWETISA-N -1 0 318.200 3.527 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000648354045 953984751 /nfs/dbraw/zinc/98/47/51/953984751.db2.gz WSFLZLLNTQQLNG-XYPHTWIQSA-N -1 0 317.429 3.673 20 0 DHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653281349 954093241 /nfs/dbraw/zinc/09/32/41/954093241.db2.gz DWZNTEBXERBUKB-HXUWFJFHSA-N -1 0 323.392 3.609 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC3(C)C)c2C(=O)[O-])C1 ZINC001589360808 954153834 /nfs/dbraw/zinc/15/38/34/954153834.db2.gz FAIYRYGTBFTOES-SCZZXKLOSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331462 954161159 /nfs/dbraw/zinc/16/11/59/954161159.db2.gz RNONNOGSJMNIHB-CABCVRRESA-N -1 0 303.402 3.632 20 0 DHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332840 954163966 /nfs/dbraw/zinc/16/39/66/954163966.db2.gz IQJCNQQKJJVARI-FSPWUOQZSA-N -1 0 323.392 3.610 20 0 DHADRM C[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332841 954164438 /nfs/dbraw/zinc/16/44/38/954164438.db2.gz IQJCNQQKJJVARI-JEBQAFNWSA-N -1 0 323.392 3.610 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000653339495 954172974 /nfs/dbraw/zinc/17/29/74/954172974.db2.gz IZMYFKHRWMJOSP-INIZCTEOSA-N -1 0 320.433 3.545 20 0 DHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC000655543968 954196773 /nfs/dbraw/zinc/19/67/73/954196773.db2.gz MKBHAYPYNZRLAL-GFCCVEGCSA-N -1 0 317.410 3.516 20 0 DHADRM CC(C)[C@H](CNC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000655573124 954210160 /nfs/dbraw/zinc/21/01/60/954210160.db2.gz JOIBARMYYCEIAP-INIZCTEOSA-N -1 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954354324 /nfs/dbraw/zinc/35/43/24/954354324.db2.gz HVESLVSMTYTFIJ-UHFFFAOYSA-N -1 0 307.349 3.713 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCCCC1 ZINC001594877459 954389818 /nfs/dbraw/zinc/38/98/18/954389818.db2.gz JKRVHUCXBZCWRU-UHFFFAOYSA-N -1 0 324.380 3.722 20 0 DHADRM C[C@@H]1c2ccccc2CN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663074520 954450141 /nfs/dbraw/zinc/45/01/41/954450141.db2.gz MPWLBKLSKZMJPU-CYBMUJFWSA-N -1 0 301.386 3.515 20 0 DHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc2ccccc21 ZINC000663076819 954453596 /nfs/dbraw/zinc/45/35/96/954453596.db2.gz CWMAHJXDWNPGAV-BLVKFPJESA-N -1 0 311.381 3.518 20 0 DHADRM CC1=CC[C@](C)(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC000663121332 954515946 /nfs/dbraw/zinc/51/59/46/954515946.db2.gz YGQJIRZYEPHRGJ-MDZRGWNJSA-N -1 0 313.397 3.552 20 0 DHADRM C[C@@H]1N(C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2C1(C)C ZINC001589413040 954532816 /nfs/dbraw/zinc/53/28/16/954532816.db2.gz OCKUZWJXEFPJFC-LBPRGKRZSA-N -1 0 309.365 3.711 20 0 DHADRM C[C@@H]1c2sccc2CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001589417005 954559953 /nfs/dbraw/zinc/55/99/53/954559953.db2.gz BWULDHVOLWNOKA-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM C/C=C/C=C/C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001589420831 954603221 /nfs/dbraw/zinc/60/32/21/954603221.db2.gz SOBQHISFOZEQRS-MSCRTYGYSA-N -1 0 321.398 3.539 20 0 DHADRM O=C([O-])C1CC(Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001594902137 954644601 /nfs/dbraw/zinc/64/46/01/954644601.db2.gz LHVYHCACNBZYDT-UHFFFAOYSA-N -1 0 309.671 3.514 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(c2ccccc2C)CCCCC1 ZINC001589433389 954665968 /nfs/dbraw/zinc/66/59/68/954665968.db2.gz XEOOQAURWKSMMD-INIZCTEOSA-N -1 0 317.429 3.519 20 0 DHADRM O=C([O-])C1CCC(N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC001594909490 954703348 /nfs/dbraw/zinc/70/33/48/954703348.db2.gz KLMVZXNDBRZMDR-WXRRBKDZSA-N -1 0 301.308 3.523 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589451209 954799809 /nfs/dbraw/zinc/79/98/09/954799809.db2.gz CXBFCFAXSCKJHY-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CC[C@H](C)CCCCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589456498 954831035 /nfs/dbraw/zinc/83/10/35/954831035.db2.gz MHJCKWGZCBMARH-KSSFIOAISA-N -1 0 305.418 3.709 20 0 DHADRM O=C([O-])[C@H]1CCN(CC2CCC2)c2ccc(Br)cc21 ZINC001594933341 954835072 /nfs/dbraw/zinc/83/50/72/954835072.db2.gz NNTHOXBNNLURBO-LBPRGKRZSA-N -1 0 324.218 3.628 20 0 DHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589467995 954916381 /nfs/dbraw/zinc/91/63/81/954916381.db2.gz YWAJQNIACWYTSJ-VIFPVBQESA-N -1 0 318.295 3.546 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001589470493 954921144 /nfs/dbraw/zinc/92/11/44/954921144.db2.gz MLSPLQGHMWGDCX-OAHLLOKOSA-N -1 0 317.429 3.510 20 0 DHADRM CCC(CC)(CNC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001589500344 955029728 /nfs/dbraw/zinc/02/97/28/955029728.db2.gz KEARJCQQQIVGFE-UHFFFAOYSA-N -1 0 303.402 3.575 20 0 DHADRM CCC(CC)(CNC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001589502906 955033837 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CCCCCC[C@H](CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000846135851 955697243 /nfs/dbraw/zinc/69/72/43/955697243.db2.gz VQLZVMZRUNDJBQ-CWRNSKLLSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1nc(NC(=O)CCCCC(=O)[O-])sc1-c1ccccc1 ZINC000848448874 955734971 /nfs/dbraw/zinc/73/49/71/955734971.db2.gz WLHRUMUDTUTHII-UHFFFAOYSA-N -1 0 318.398 3.702 20 0 DHADRM C[C@@H](Nc1nc2c(cccc2F)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848638414 955772614 /nfs/dbraw/zinc/77/26/14/955772614.db2.gz SHYNWNLEPRVGNT-KXUCPTDWSA-N -1 0 306.337 3.514 20 0 DHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CCCCCCC1 ZINC000864107555 955937685 /nfs/dbraw/zinc/93/76/85/955937685.db2.gz NVXGZCOUAUEEBH-BENRWUELSA-N -1 0 305.374 3.562 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1sccc1C(F)F)C(=O)[O-] ZINC000872728730 956061095 /nfs/dbraw/zinc/06/10/95/956061095.db2.gz XQKSUVDIJMAYFN-VIFPVBQESA-N -1 0 319.373 3.695 20 0 DHADRM CC(C)Oc1cccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001603081961 972158371 /nfs/dbraw/zinc/15/83/71/972158371.db2.gz 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/nfs/dbraw/zinc/55/40/79/956554079.db2.gz BKERIJWNYKHVAC-HNNXBMFYSA-N -1 0 323.801 3.634 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cscc2C(F)F)CCCCC1 ZINC000902043860 956626237 /nfs/dbraw/zinc/62/62/37/956626237.db2.gz UDCKBNGCXAJCQQ-UHFFFAOYSA-N -1 0 317.357 3.593 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)CC(C2CCC2)C2CCC2)cc1 ZINC001594675711 956660404 /nfs/dbraw/zinc/66/04/04/956660404.db2.gz CROUHQSZKFKCKC-UHFFFAOYSA-N -1 0 315.413 3.608 20 0 DHADRM CC(C)c1nc(CN2CCc3ccc(C(=O)[O-])cc3C2)cs1 ZINC000389011760 972202897 /nfs/dbraw/zinc/20/28/97/972202897.db2.gz SOXQUVLWUWYMNM-UHFFFAOYSA-N -1 0 316.426 3.523 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000902373730 956714425 /nfs/dbraw/zinc/71/44/25/956714425.db2.gz UATPKQRSEIKQSE-AEFFLSMTSA-N -1 0 323.392 3.585 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000902700586 956774391 /nfs/dbraw/zinc/77/43/91/956774391.db2.gz FGUTUESTNANBBW-QWRGUYRKSA-N -1 0 321.270 3.555 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001589220854 956774686 /nfs/dbraw/zinc/77/46/86/956774686.db2.gz KHVKTBHKFOWTKV-PLNGDYQASA-N -1 0 319.401 3.714 20 0 DHADRM CC1(C)CCC(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001589221200 956777324 /nfs/dbraw/zinc/77/73/24/956777324.db2.gz RCGKTPZULQURCH-UHFFFAOYSA-N -1 0 305.374 3.635 20 0 DHADRM CCCCC1CCC(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000013092201 956942728 /nfs/dbraw/zinc/94/27/28/956942728.db2.gz XFONPYCSHYEUBA-UHFFFAOYSA-N -1 0 317.429 3.998 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC2CCCC2)cc1 ZINC000013178810 956961025 /nfs/dbraw/zinc/96/10/25/956961025.db2.gz DEJFQOVDGHRICG-MRXNPFEDSA-N -1 0 303.402 3.597 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C/c1cccs1 ZINC000013188279 956973479 /nfs/dbraw/zinc/97/34/79/956973479.db2.gz UAMRETRHSYEILE-GQCTYLIASA-N -1 0 307.758 3.752 20 0 DHADRM O=C([O-])c1cccnc1SCCOc1ccccc1Cl ZINC000013188863 956975058 /nfs/dbraw/zinc/97/50/58/956975058.db2.gz DWCSNWWCVZUFKD-UHFFFAOYSA-N -1 0 309.774 3.604 20 0 DHADRM CCOc1ccc(OCCOc2ccc(C)cc2C(=O)[O-])cc1 ZINC000013279142 957011312 /nfs/dbraw/zinc/01/13/12/957011312.db2.gz TZARWPPVXLQJMN-UHFFFAOYSA-N -1 0 316.353 3.550 20 0 DHADRM Cc1ccc2c(COc3cccc(C(=O)[O-])c3)cc(=O)oc2c1C ZINC000013418944 957058812 /nfs/dbraw/zinc/05/88/12/957058812.db2.gz PNHAUCYYLUCQNQ-UHFFFAOYSA-N -1 0 324.332 3.687 20 0 DHADRM CCc1ccc2c(COc3cccc(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000013418936 957059559 /nfs/dbraw/zinc/05/95/59/957059559.db2.gz CZUMPIDBEWEHDF-UHFFFAOYSA-N -1 0 324.332 3.633 20 0 DHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013795985 957094838 /nfs/dbraw/zinc/09/48/38/957094838.db2.gz GUHOOTLJMVVCSR-UHFFFAOYSA-N -1 0 324.764 3.986 20 0 DHADRM CC(C)N(CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923244977 957103793 /nfs/dbraw/zinc/10/37/93/957103793.db2.gz ZLQNKGWYFUVOAU-UHFFFAOYSA-N -1 0 324.490 3.688 20 0 DHADRM Cc1cc(NC(=O)c2cc3c(s2)CCCC3)sc1C(=O)[O-] ZINC000021015075 957148127 /nfs/dbraw/zinc/14/81/27/957148127.db2.gz ZITPSLZTVOZYPH-UHFFFAOYSA-N -1 0 321.423 3.947 20 0 DHADRM Cc1sc(NC(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])c1C ZINC000021517783 957149538 /nfs/dbraw/zinc/14/95/38/957149538.db2.gz NDZSMIDRWOSMJJ-UHFFFAOYSA-N -1 0 311.309 3.594 20 0 DHADRM Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CCO2 ZINC000028912981 957166143 /nfs/dbraw/zinc/16/61/43/957166143.db2.gz WXCYVGNCWZXUQK-RVDMUPIBSA-N -1 0 308.333 3.742 20 0 DHADRM CC(C)(C)c1csc(CN[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001119534801 957186495 /nfs/dbraw/zinc/18/64/95/957186495.db2.gz LINRCQFGAOPMIH-QGZVFWFLSA-N -1 0 318.442 3.530 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccc(C)c(Cl)c1Cl)C(=O)[O-] ZINC001119556256 957189631 /nfs/dbraw/zinc/18/96/31/957189631.db2.gz YASXEDFYUGERRO-QMMMGPOBSA-N -1 0 319.188 3.534 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000034634024 957192426 /nfs/dbraw/zinc/19/24/26/957192426.db2.gz YHKGAZZGYJADKH-OAHLLOKOSA-N -1 0 311.381 3.721 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000035135345 957199838 /nfs/dbraw/zinc/19/98/38/957199838.db2.gz ZVCLACWVEMUVPO-SNVBAGLBSA-N -1 0 303.745 3.529 20 0 DHADRM Cc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)sc1C(=O)[O-] ZINC000035200244 957202152 /nfs/dbraw/zinc/20/21/52/957202152.db2.gz XGSIRUIVQPALBT-UHFFFAOYSA-N -1 0 319.169 3.642 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000035347474 957205321 /nfs/dbraw/zinc/20/53/21/957205321.db2.gz TVDLPTKULQAZFU-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM O=C([O-])c1ccccc1OCCSc1cc(F)ccc1F ZINC000035731871 957223026 /nfs/dbraw/zinc/22/30/26/957223026.db2.gz PSNJTAZNUPZJTI-UHFFFAOYSA-N -1 0 310.321 3.834 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001122291831 957241045 /nfs/dbraw/zinc/24/10/45/957241045.db2.gz ONVODVRPXOUGES-HNAYVOBHSA-N -1 0 317.429 3.674 20 0 DHADRM O=C([O-])c1cccc(OCc2csc(-c3ccco3)n2)c1 ZINC000037208133 957265562 /nfs/dbraw/zinc/26/55/62/957265562.db2.gz DSPPKPOOCBTNMM-UHFFFAOYSA-N -1 0 301.323 3.680 20 0 DHADRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000037330706 957270176 /nfs/dbraw/zinc/27/01/76/957270176.db2.gz NXJHOTGVMZURQF-NWDGAFQWSA-N -1 0 306.749 3.748 20 0 DHADRM Cc1sc(NC(=O)Cc2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000037331239 957270946 /nfs/dbraw/zinc/27/09/46/957270946.db2.gz KVKJMNBLSHQYRV-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM O=C([O-])CCCC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000037795097 957328745 /nfs/dbraw/zinc/32/87/45/957328745.db2.gz QDMQQCOBIGYZNL-UHFFFAOYSA-N -1 0 307.415 3.915 20 0 DHADRM O=C([O-])[C@H](Nc1ccc(F)cc1)c1cccc(Br)c1 ZINC000037955972 957338424 /nfs/dbraw/zinc/33/84/24/957338424.db2.gz PIZZJMULAOQPPY-CYBMUJFWSA-N -1 0 324.149 3.826 20 0 DHADRM COc1cccc(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000037961164 957339681 /nfs/dbraw/zinc/33/96/81/957339681.db2.gz VBZFRVFGXBHLDK-AWEZNQCLSA-N -1 0 309.724 3.726 20 0 DHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000049147574 957475071 /nfs/dbraw/zinc/47/50/71/957475071.db2.gz AVDKNKCOWSVLSW-QMMMGPOBSA-N -1 0 324.789 3.982 20 0 DHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049724757 957479561 /nfs/dbraw/zinc/47/95/61/957479561.db2.gz XJVLDDYMOJPWNS-SNVBAGLBSA-N -1 0 304.371 3.671 20 0 DHADRM O=C([O-])c1cnc(N2CCC3(CCCCC3)CC2)c(Cl)c1 ZINC000061822187 957584611 /nfs/dbraw/zinc/58/46/11/957584611.db2.gz RMWWOURDENODDY-UHFFFAOYSA-N -1 0 308.809 3.984 20 0 DHADRM CCCOc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Cl ZINC000061835195 957589438 /nfs/dbraw/zinc/58/94/38/957589438.db2.gz BCKWHKSBKBMVRD-SNVBAGLBSA-N -1 0 313.781 3.568 20 0 DHADRM CN(Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])cc1F ZINC000062753835 957608959 /nfs/dbraw/zinc/60/89/59/957608959.db2.gz LIFUVTUSPNSTBB-UHFFFAOYSA-N -1 0 313.781 3.871 20 0 DHADRM O=C([O-])c1ccc(OC(=O)CCc2ccccc2Cl)cc1 ZINC000066144834 957643848 /nfs/dbraw/zinc/64/38/48/957643848.db2.gz YXRBIXUZPVLINY-UHFFFAOYSA-N -1 0 304.729 3.576 20 0 DHADRM CC[C@@H](C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000067456416 957645219 /nfs/dbraw/zinc/64/52/19/957645219.db2.gz WMYBZWUHHYRGPT-GFCCVEGCSA-N -1 0 307.390 3.693 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C1(C2CCCCC2)CC1 ZINC001574739480 957687825 /nfs/dbraw/zinc/68/78/25/957687825.db2.gz ZNBDTJRYNXVRNW-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC001594281401 957748892 /nfs/dbraw/zinc/74/88/92/957748892.db2.gz LRNKYNGAIXWILR-UHFFFAOYSA-N -1 0 311.381 3.701 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)OCc1ccc(Cl)c2ccccc12 ZINC001574770093 957751292 /nfs/dbraw/zinc/75/12/92/957751292.db2.gz CSGRBRCOEBQTRH-ZIAGYGMSSA-N -1 0 318.756 3.647 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c1 ZINC001594282752 957760194 /nfs/dbraw/zinc/76/01/94/957760194.db2.gz ZEWWFOBGMHEFHC-INIZCTEOSA-N -1 0 315.413 3.734 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2CC(C)(c3ccccc3)C2)c1 ZINC001594285092 957771251 /nfs/dbraw/zinc/77/12/51/957771251.db2.gz FRQULISYBDBHBK-UHFFFAOYSA-N -1 0 323.392 3.543 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cc(Cl)ccc2C)c1 ZINC001594286846 957786344 /nfs/dbraw/zinc/78/63/44/957786344.db2.gz XWPHKNIPJQADDX-UHFFFAOYSA-N -1 0 317.772 3.585 20 0 DHADRM Cc1c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)noc1C(C)(C)C ZINC001594289148 957808022 /nfs/dbraw/zinc/80/80/22/957808022.db2.gz LVJQRVYPUJKXBD-UHFFFAOYSA-N -1 0 316.357 3.539 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000084142218 957859222 /nfs/dbraw/zinc/85/92/22/957859222.db2.gz COEIFLICOXDYSE-UHFFFAOYSA-N -1 0 316.184 3.511 20 0 DHADRM Cc1cc(Cl)c(OC(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001594307191 957979057 /nfs/dbraw/zinc/97/90/57/957979057.db2.gz IHLNZDAUSGZMQN-UHFFFAOYSA-N -1 0 308.692 3.705 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC001594307677 957982581 /nfs/dbraw/zinc/98/25/81/957982581.db2.gz TWHZAVXRBJOVLF-LLVKDONJSA-N -1 0 304.173 3.597 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594310119 958002938 /nfs/dbraw/zinc/00/29/38/958002938.db2.gz DDTFKNMIFMSVAU-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM O=C([O-])CC1(COc2cc(Br)ccc2Cl)CC1 ZINC000088256593 958050308 /nfs/dbraw/zinc/05/03/08/958050308.db2.gz IGAWUPXFSYPREZ-UHFFFAOYSA-N -1 0 319.582 3.736 20 0 DHADRM COc1cc(Cl)c(NC(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC001594059025 958075158 /nfs/dbraw/zinc/07/51/58/958075158.db2.gz SAPWCDFUMLGLBE-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1cccc(Cl)c1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000090534139 958111226 /nfs/dbraw/zinc/11/12/26/958111226.db2.gz BHMSXJWVHBSZAH-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM Cc1cc(NC(=O)c2c(F)ccc3ccncc32)ccc1C(=O)[O-] ZINC001594324691 958150975 /nfs/dbraw/zinc/15/09/75/958150975.db2.gz OZNVHFQPYXQGAW-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cc(NC(=O)c2ccnc(-c3ccco3)c2)ccc1C(=O)[O-] ZINC001594325068 958158602 /nfs/dbraw/zinc/15/86/02/958158602.db2.gz WSTIXFRCNOPDAK-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1cc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1Cl ZINC001594327225 958185195 /nfs/dbraw/zinc/18/51/95/958185195.db2.gz SJKGJOYJVBUHLK-QPJJXVBHSA-N -1 0 306.701 3.558 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001358238279 958203987 /nfs/dbraw/zinc/20/39/87/958203987.db2.gz NSHGUQRFUJAZMO-UTSMFGRCSA-N -1 0 315.413 3.502 20 0 DHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C2CC2)c1 ZINC001603215692 972329049 /nfs/dbraw/zinc/32/90/49/972329049.db2.gz KEAMXBMGDNMQDO-YJYMSZOUSA-N -1 0 313.397 3.552 20 0 DHADRM Cc1cc2c(ncnc2N[C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001594331386 958225311 /nfs/dbraw/zinc/22/53/11/958225311.db2.gz CRDIKOZBSKRERL-NSHDSACASA-N -1 0 307.419 3.691 20 0 DHADRM C[C@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC000093291362 958244419 /nfs/dbraw/zinc/24/44/19/958244419.db2.gz ASJCNQYWXRMGBA-SECBINFHSA-N -1 0 310.806 3.562 20 0 DHADRM CC(C)c1ccccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000846780199 1032068161 /nfs/dbraw/zinc/06/81/61/1032068161.db2.gz PRHOHPOUOVBNJF-NSHDSACASA-N -1 0 304.415 3.816 20 0 DHADRM Cc1ccc(-c2csc(CN([C@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC001594335759 958263350 /nfs/dbraw/zinc/26/33/50/958263350.db2.gz JCMLBQCUYXWMNS-GFCCVEGCSA-N -1 0 316.426 3.556 20 0 DHADRM Cc1ccc(C(=O)Nc2sccc2C(=O)[O-])c2ncccc12 ZINC001594350029 958342128 /nfs/dbraw/zinc/34/21/28/958342128.db2.gz UMKVBHWABIHXOQ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001594366719 958495895 /nfs/dbraw/zinc/49/58/95/958495895.db2.gz IQXJDKCXRCJBLJ-ZWKOTPCHSA-N -1 0 323.392 3.639 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001573339640 958531544 /nfs/dbraw/zinc/53/15/44/958531544.db2.gz HCCYUYTWXNTUED-KKEPDAPGSA-N -1 0 309.450 3.622 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001594370941 958542965 /nfs/dbraw/zinc/54/29/65/958542965.db2.gz MLNCQZHTHPFJJL-ZDUSSCGKSA-N -1 0 310.369 3.535 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c(Cl)c1C ZINC001594372770 958551475 /nfs/dbraw/zinc/55/14/75/958551475.db2.gz GQNOTXQLQDPDHH-GFCCVEGCSA-N -1 0 312.797 3.578 20 0 DHADRM COc1ccc2cc([C@@H](C)OC(=O)CCCC(=O)[O-])ccc2c1 ZINC001594118439 958579546 /nfs/dbraw/zinc/57/95/46/958579546.db2.gz OCCGTKRJSXHBNG-GFCCVEGCSA-N -1 0 316.353 3.708 20 0 DHADRM Cc1ccc2c(C(=O)Nc3cccnc3C(=O)[O-])csc2c1 ZINC001594381627 958631483 /nfs/dbraw/zinc/63/14/83/958631483.db2.gz RNHYNTSHLOAVEC-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573389783 958687946 /nfs/dbraw/zinc/68/79/46/958687946.db2.gz GHRMICXIKMLIPG-KBPBESRZSA-N -1 0 319.405 3.506 20 0 DHADRM C[C@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301489 958697494 /nfs/dbraw/zinc/69/74/94/958697494.db2.gz PIVGWMHKDHTAEA-GWCFXTLKSA-N -1 0 322.455 3.557 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ocnc1-c1ccccc1 ZINC001594390006 958700388 /nfs/dbraw/zinc/70/03/88/958700388.db2.gz ARTGOGSBFJKZAF-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(=O)[O-])c1 ZINC001594390261 958706111 /nfs/dbraw/zinc/70/61/11/958706111.db2.gz IDCRDFHYYHGPDG-ZFWWWQNUSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(C)cc2C)C(=O)[O-])c1 ZINC001594396377 958770453 /nfs/dbraw/zinc/77/04/53/958770453.db2.gz GOOKIEHKNLATBX-INIZCTEOSA-N -1 0 312.369 3.559 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-] ZINC001573425568 958787826 /nfs/dbraw/zinc/78/78/26/958787826.db2.gz TWYGSFLQLCUTAD-SECBINFHSA-N -1 0 319.373 3.695 20 0 DHADRM Cc1cccc(OC(=O)c2coc(/C=C\C(=O)[O-])c2)c1Cl ZINC001594408237 958920027 /nfs/dbraw/zinc/92/00/27/958920027.db2.gz GNYPALZIPGMSDP-WAYWQWQTSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594412748 958960396 /nfs/dbraw/zinc/96/03/96/958960396.db2.gz NXOYPDDZVMIUKT-INIZCTEOSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1cccc2oc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc21 ZINC001594413333 958967761 /nfs/dbraw/zinc/96/77/61/958967761.db2.gz HYKXJULOCRLZKG-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CC(C)(NC(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001573482707 958971260 /nfs/dbraw/zinc/97/12/60/958971260.db2.gz ATEGKJODNCQLEH-UHFFFAOYSA-N -1 0 316.332 3.581 20 0 DHADRM Cc1ccccc1N(C(=O)c1coc(/C=C/C(=O)[O-])c1)C(C)C ZINC001594417849 959025877 /nfs/dbraw/zinc/02/58/77/959025877.db2.gz GMNKPWZOFGJEHV-CMDGGOBGSA-N -1 0 313.353 3.741 20 0 DHADRM C[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588560359 959095642 /nfs/dbraw/zinc/09/56/42/959095642.db2.gz JMMWITWGWBAVIV-LLVKDONJSA-N -1 0 317.772 3.709 20 0 DHADRM Cc1ccnc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc12 ZINC001594425181 959110246 /nfs/dbraw/zinc/11/02/46/959110246.db2.gz MPWYXRMSHXGZBH-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CC(C)CCc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001573517899 959113031 /nfs/dbraw/zinc/11/30/31/959113031.db2.gz IFRSKCUVTCCTAF-SFHVURJKSA-N -1 0 303.402 3.715 20 0 DHADRM CSc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)o1 ZINC001594195292 959191814 /nfs/dbraw/zinc/19/18/14/959191814.db2.gz YAKHSPGQJDPPLA-ZDUSSCGKSA-N -1 0 303.383 3.580 20 0 DHADRM CSc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594197837 959211409 /nfs/dbraw/zinc/21/14/09/959211409.db2.gz HJBZULISVKJSRN-NSHDSACASA-N -1 0 315.394 3.598 20 0 DHADRM CSc1ccccc1[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594197910 959213536 /nfs/dbraw/zinc/21/35/36/959213536.db2.gz KYXCGNUGVPQUPW-NSHDSACASA-N -1 0 315.394 3.598 20 0 DHADRM C[C@@H](CC1CCCCC1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594199620 959233934 /nfs/dbraw/zinc/23/39/34/959233934.db2.gz XRZDFKKLQMHRIP-ZDUSSCGKSA-N -1 0 318.417 3.543 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1Cl ZINC001594200128 959244970 /nfs/dbraw/zinc/24/49/70/959244970.db2.gz UURVXDKJPHQYOC-SNVBAGLBSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)[C@H](NC(=O)C1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC001573558612 959264392 /nfs/dbraw/zinc/26/43/92/959264392.db2.gz QMQIAAVJZFDMRU-INIZCTEOSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCCc1ccc(Cl)cc1)C1CC1 ZINC001588584538 959290009 /nfs/dbraw/zinc/29/00/09/959290009.db2.gz JOFNRWSZYKFOKT-LBPRGKRZSA-N -1 0 323.820 3.517 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573567342 959294086 /nfs/dbraw/zinc/29/40/86/959294086.db2.gz ULBWDDKIHKOAOY-QGZVFWFLSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc2c(cccc2F)s1 ZINC001594215392 959322612 /nfs/dbraw/zinc/32/26/12/959322612.db2.gz PVDKSJDBSPQGAH-BXKDBHETSA-N -1 0 321.373 3.508 20 0 DHADRM C[C@@H](C(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001588600262 959417963 /nfs/dbraw/zinc/41/79/63/959417963.db2.gz UVNIDQIFPRAFQC-GFCCVEGCSA-N -1 0 324.336 3.504 20 0 DHADRM C[C@H](C(=O)[O-])c1noc([C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC001588602067 959431288 /nfs/dbraw/zinc/43/12/88/959431288.db2.gz CCGRRAYNQUSCFB-VQISRLSMSA-N -1 0 308.337 3.682 20 0 DHADRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC001594234606 959499722 /nfs/dbraw/zinc/49/97/22/959499722.db2.gz CAOFAFIXRNXKKD-PCYYEKQGSA-N -1 0 319.744 3.522 20 0 DHADRM Cc1nc2ccccc2nc1CNc1cccc(CCC(=O)[O-])c1 ZINC001594465966 959508380 /nfs/dbraw/zinc/50/83/80/959508380.db2.gz REFVKJQZTHMTCQ-UHFFFAOYSA-N -1 0 321.380 3.568 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)NCCCC(=O)[O-])o2)c1 ZINC000190522520 959511661 /nfs/dbraw/zinc/51/16/61/959511661.db2.gz GMWXUGKRZCZFGE-UHFFFAOYSA-N -1 0 315.369 3.665 20 0 DHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000192888121 959594110 /nfs/dbraw/zinc/59/41/10/959594110.db2.gz CQNOUDZVVUMYON-JTQLQIEISA-N -1 0 303.745 3.780 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2ccc(C3CCC3)cc2)c1 ZINC000192917810 959596955 /nfs/dbraw/zinc/59/69/55/959596955.db2.gz MXZGKGPSWOKCSD-UHFFFAOYSA-N -1 0 301.367 3.966 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001588632214 959620085 /nfs/dbraw/zinc/62/00/85/959620085.db2.gz RYDDXRRIOYPIJV-OAHLLOKOSA-N -1 0 315.413 3.592 20 0 DHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573644068 959630317 /nfs/dbraw/zinc/63/03/17/959630317.db2.gz VJBZKVVOMGQFDU-JTQLQIEISA-N -1 0 319.357 3.643 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2ccc(Br)cc2)s1 ZINC000206735363 959662859 /nfs/dbraw/zinc/66/28/59/959662859.db2.gz DLNLYGDDHOIADC-UTCJRWHESA-N -1 0 310.172 3.774 20 0 DHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CS[C@@H](C)C(=O)[O-] ZINC001594489495 959684834 /nfs/dbraw/zinc/68/48/34/959684834.db2.gz ZOKCDDZMKYKCFF-NSHDSACASA-N -1 0 324.833 3.600 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588643729 959717366 /nfs/dbraw/zinc/71/73/66/959717366.db2.gz SXSQKSWDCLFKON-VMFRVMOISA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588644025 959721335 /nfs/dbraw/zinc/72/13/35/959721335.db2.gz XOOGYYSBCPJISR-ZFWWWQNUSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C(=O)[O-] ZINC001588646833 959742571 /nfs/dbraw/zinc/74/25/71/959742571.db2.gz ZZWLKMUXMBCPCP-JTQLQIEISA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-] ZINC001588647045 959743758 /nfs/dbraw/zinc/74/37/58/959743758.db2.gz BDNMVWSPLDYMPY-LBPRGKRZSA-N -1 0 323.458 3.636 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594267767 959754038 /nfs/dbraw/zinc/75/40/38/959754038.db2.gz HJYQDMISZSELNH-KRWDZBQOSA-N -1 0 309.365 3.711 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-] ZINC001588650946 959766164 /nfs/dbraw/zinc/76/61/64/959766164.db2.gz SGWLCKVPOMSMPH-MRXNPFEDSA-N -1 0 317.429 3.502 20 0 DHADRM C[C@@H](OC(=O)CCCC(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001603271909 972481788 /nfs/dbraw/zinc/48/17/88/972481788.db2.gz JEMYASKFMURGGU-MRVPVSSYSA-N -1 0 322.254 3.704 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)NCCCCC1CCCC1 ZINC001605776733 972487933 /nfs/dbraw/zinc/48/79/33/972487933.db2.gz UFMNVXSYZRKTRP-UHFFFAOYSA-N -1 0 318.417 3.545 20 0 DHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC12CCC2 ZINC001573736716 960445881 /nfs/dbraw/zinc/44/58/81/960445881.db2.gz XWXFGCNWUWXBLR-NSHDSACASA-N -1 0 320.364 3.568 20 0 DHADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)c2ccccc21 ZINC001573740003 960483949 /nfs/dbraw/zinc/48/39/49/960483949.db2.gz YZIUVXDFVJIJGD-ZDUSSCGKSA-N -1 0 301.386 3.562 20 0 DHADRM C[C@H]1CN(C)c2ccccc2N(Cc2ccc(C(=O)[O-])s2)C1 ZINC001573747652 960510376 /nfs/dbraw/zinc/51/03/76/960510376.db2.gz GRWWYSLMZZJMQL-LBPRGKRZSA-N -1 0 316.426 3.539 20 0 DHADRM C[C@@H]1c2sccc2CCN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573757974 960577689 /nfs/dbraw/zinc/57/76/89/960577689.db2.gz LLXCMUNWHJMRPQ-GFCCVEGCSA-N -1 0 321.442 3.619 20 0 DHADRM CC/C(=C\C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(C)cc1 ZINC001573760096 960606924 /nfs/dbraw/zinc/60/69/24/960606924.db2.gz VSHTXADDMGPRTE-JLHYYAGUSA-N -1 0 310.353 3.520 20 0 DHADRM CC/C(=C\C(=O)N(CC(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC001573760443 960614756 /nfs/dbraw/zinc/61/47/56/960614756.db2.gz ZWYIXAXGDZMKPZ-ZRDIBKRKSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001574286634 960662023 /nfs/dbraw/zinc/66/20/23/960662023.db2.gz UXZKAYWQNZGEDI-GDBMZVCRSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573776314 960685550 /nfs/dbraw/zinc/68/55/50/960685550.db2.gz MFBUOBLPEDRTRE-FZKQIMNGSA-N -1 0 305.418 3.565 20 0 DHADRM CC(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236624070 960717030 /nfs/dbraw/zinc/71/70/30/960717030.db2.gz VNWLNGRYMJTUBF-ZDUSSCGKSA-N -1 0 317.410 3.964 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236624077 960718101 /nfs/dbraw/zinc/71/81/01/960718101.db2.gz GLKIGKKDUPXRET-CQSZACIVSA-N -1 0 303.402 3.527 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC000236648083 960724007 /nfs/dbraw/zinc/72/40/07/960724007.db2.gz SGOGBMZHXPWNCR-ZBFHGGJFSA-N -1 0 305.418 3.638 20 0 DHADRM Cc1c(F)ccc(Cl)c1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001574303810 960725906 /nfs/dbraw/zinc/72/59/06/960725906.db2.gz BOVIQWNZYRCGLQ-DJWKRKHSSA-N -1 0 323.707 3.731 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC001573785751 960736246 /nfs/dbraw/zinc/73/62/46/960736246.db2.gz ZENIKXNQQGFYTK-UHFFFAOYSA-N -1 0 312.435 3.561 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccs2)C1(C)C ZINC000236744267 960748641 /nfs/dbraw/zinc/74/86/41/960748641.db2.gz FXRZWTJVJYAUDM-TYNCELHUSA-N -1 0 321.442 3.619 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573791252 960754253 /nfs/dbraw/zinc/75/42/53/960754253.db2.gz JWDWTQBDJRSAFM-GFCCVEGCSA-N -1 0 303.402 3.736 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2cccc3ncccc32)c1 ZINC001574315470 960782167 /nfs/dbraw/zinc/78/21/67/960782167.db2.gz NYRMQMCACGATCB-UHFFFAOYSA-N -1 0 320.348 3.518 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000236900316 960793455 /nfs/dbraw/zinc/79/34/55/960793455.db2.gz XKJFGLZQEWUCMR-GJZGRUSLSA-N -1 0 305.418 3.590 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC[C@@H]2CCCC2(C)C)c1 ZINC001574317910 960797250 /nfs/dbraw/zinc/79/72/50/960797250.db2.gz AJHPSPUUFHVEJD-HNNXBMFYSA-N -1 0 303.402 3.639 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000236962948 960813243 /nfs/dbraw/zinc/81/32/43/960813243.db2.gz DPVJLQROJCCUJB-LLVKDONJSA-N -1 0 323.801 3.981 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000237100803 960870671 /nfs/dbraw/zinc/87/06/71/960870671.db2.gz DWJPHLRCIOCVQN-MAUKXSAKSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573813706 960918174 /nfs/dbraw/zinc/91/81/74/960918174.db2.gz PGJJHDQFRPVXNK-BREBYQMCSA-N -1 0 314.740 3.584 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1cc(F)ccc1F ZINC001319323753 960940144 /nfs/dbraw/zinc/94/01/44/960940144.db2.gz CZYAXCOZTBBFEL-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(Cl)s1 ZINC001319416276 960947520 /nfs/dbraw/zinc/94/75/20/960947520.db2.gz DPJUDGXXDCOTAI-UHFFFAOYSA-N -1 0 323.801 3.979 20 0 DHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)C1CCCCC1 ZINC000237535033 960956569 /nfs/dbraw/zinc/95/65/69/960956569.db2.gz YIRNTIQQCWHJOW-GXTWGEPZSA-N -1 0 323.458 3.987 20 0 DHADRM CCC1(CC)CCCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001573822081 960965672 /nfs/dbraw/zinc/96/56/72/960965672.db2.gz CJHUGJPOGUXGAB-UHFFFAOYSA-N -1 0 319.405 3.604 20 0 DHADRM Cc1cccc(C2(C(=O)NCCCCC(=O)[O-])CCCCC2)c1 ZINC000237620225 960976187 /nfs/dbraw/zinc/97/61/87/960976187.db2.gz MFVOIBVVRRKKBK-UHFFFAOYSA-N -1 0 317.429 3.568 20 0 DHADRM Cc1ccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000237641490 960982404 /nfs/dbraw/zinc/98/24/04/960982404.db2.gz HAKBMYKEGOTHNV-KRWDZBQOSA-N -1 0 309.365 3.574 20 0 DHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c2ccccc12 ZINC001574351414 960991820 /nfs/dbraw/zinc/99/18/20/960991820.db2.gz WLMDMSMQZVIWRU-CQSZACIVSA-N -1 0 311.381 3.618 20 0 DHADRM CCC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573836575 961058391 /nfs/dbraw/zinc/05/83/91/961058391.db2.gz VKDGGSGYOZFDEP-KUGGDMIFSA-N -1 0 313.353 3.649 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573841352 961081590 /nfs/dbraw/zinc/08/15/90/961081590.db2.gz 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961609258 /nfs/dbraw/zinc/60/92/58/961609258.db2.gz SHHYZSSMTRYDOP-LRDDRELGSA-N -1 0 316.401 3.657 20 0 DHADRM Cc1nc(-c2cccc(NC3CC(CC(=O)[O-])C3)c2)oc1C ZINC001333136707 961653718 /nfs/dbraw/zinc/65/37/18/961653718.db2.gz OPIUJDSWYMRLJR-UHFFFAOYSA-N -1 0 300.358 3.624 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262391552 961692151 /nfs/dbraw/zinc/69/21/51/961692151.db2.gz MFWOQBYBTKDGJW-ZWKOTPCHSA-N -1 0 323.392 3.754 20 0 DHADRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001573983617 961782017 /nfs/dbraw/zinc/78/20/17/961782017.db2.gz WFWAZHXSDWKUDJ-STUIXMSNSA-N -1 0 319.401 3.664 20 0 DHADRM O=C([O-])c1ccc(Br)c(NC(=O)C=C2CCCC2)c1 ZINC001574512271 961807016 /nfs/dbraw/zinc/80/70/16/961807016.db2.gz KQZZTXXLHGBRBI-UHFFFAOYSA-N -1 0 324.174 3.586 20 0 DHADRM CC(C)C1CCC(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC001588841848 961810245 /nfs/dbraw/zinc/81/02/45/961810245.db2.gz RLEQMNWWRCGWJU-GPANFISMSA-N -1 0 324.465 3.630 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001588842056 961813996 /nfs/dbraw/zinc/81/39/96/961813996.db2.gz VBVBRKJTCYDYNP-JSGCOSHPSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262710388 961819352 /nfs/dbraw/zinc/81/93/52/961819352.db2.gz LMILGMUBEVXYMO-ZQDZILKHSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccccc1 ZINC001335189495 961903755 /nfs/dbraw/zinc/90/37/55/961903755.db2.gz AILPOMNVSIZJSM-UHFFFAOYSA-N -1 0 319.382 3.551 20 0 DHADRM Cc1cc2cc(C(=O)NC3(CC(=O)[O-])CCCC3)oc2cc1C ZINC000262846402 961911881 /nfs/dbraw/zinc/91/18/81/961911881.db2.gz HJZDIJQRHOQTGG-UHFFFAOYSA-N -1 0 315.369 3.567 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc(C3CC3)c2)c(F)c1 ZINC001574539017 961937635 /nfs/dbraw/zinc/93/76/35/961937635.db2.gz ZFBBIFVUEXTHSF-UHFFFAOYSA-N -1 0 313.328 3.583 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001588860680 961993143 /nfs/dbraw/zinc/99/31/43/961993143.db2.gz FXNCPIQXSQXYLK-UHFFFAOYSA-N -1 0 303.402 3.673 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588867582 962027330 /nfs/dbraw/zinc/02/73/30/962027330.db2.gz ULARMZDSRWRUET-FUXFULCISA-N -1 0 319.401 3.712 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000263005996 962102275 /nfs/dbraw/zinc/10/22/75/962102275.db2.gz PFHJIPAWNYKHOB-NWDGAFQWSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001588886224 962174035 /nfs/dbraw/zinc/17/40/35/962174035.db2.gz BPOKXEOGUIZKTL-SNVBAGLBSA-N -1 0 323.439 3.706 20 0 DHADRM CC(C)C[C@@H](Nc1ncnc2ccc(C(C)C)cc21)C(=O)[O-] ZINC001588887654 962189854 /nfs/dbraw/zinc/18/98/54/962189854.db2.gz QFINDVLRMPVEHN-OAHLLOKOSA-N -1 0 301.390 3.664 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000263059005 962196086 /nfs/dbraw/zinc/19/60/86/962196086.db2.gz QLUPYOLXBPVHJX-UHFFFAOYSA-N -1 0 319.445 3.534 20 0 DHADRM Cc1cc(NC(=O)[C@H](c2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000263113369 962265350 /nfs/dbraw/zinc/26/53/50/962265350.db2.gz JWLAZUQIBZTMJS-QGZVFWFLSA-N -1 0 309.365 3.826 20 0 DHADRM CC(C)Cc1cccc([C@H](C)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001588906030 962273473 /nfs/dbraw/zinc/27/34/73/962273473.db2.gz GISMQHUPYHMEJY-AWEZNQCLSA-N -1 0 319.445 3.606 20 0 DHADRM CC(C)Cc1ccc(NC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001588906264 962278321 /nfs/dbraw/zinc/27/83/21/962278321.db2.gz VCUBIWOHUDZGIO-UHFFFAOYSA-N -1 0 313.357 3.622 20 0 DHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001588906238 962278695 /nfs/dbraw/zinc/27/86/95/962278695.db2.gz SESOUDSRZCPZNW-CQSZACIVSA-N -1 0 317.429 3.502 20 0 DHADRM O=C([O-])C1(C(=O)N2CCc3ccc(Cl)cc32)CCCCCC1 ZINC001574626182 962278584 /nfs/dbraw/zinc/27/85/84/962278584.db2.gz JIGLQTUMAPMXNC-UHFFFAOYSA-N -1 0 321.804 3.654 20 0 DHADRM CC(C)Cc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588906418 962282714 /nfs/dbraw/zinc/28/27/14/962282714.db2.gz GUGUCHLZVXYXSZ-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263159995 962310985 /nfs/dbraw/zinc/31/09/85/962310985.db2.gz IGNRTRVTHZCVAI-GFCCVEGCSA-N -1 0 317.410 3.646 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccsc2)c1 ZINC000263164319 962315716 /nfs/dbraw/zinc/31/57/16/962315716.db2.gz FEIZYKJKWUBJSQ-NSHDSACASA-N -1 0 303.383 3.508 20 0 DHADRM CC(C)N(C(=O)Cc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC001588912439 962328054 /nfs/dbraw/zinc/32/80/54/962328054.db2.gz JXKACFKXAXENDY-UHFFFAOYSA-N -1 0 315.344 3.508 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)c2)o1 ZINC001346312394 962345058 /nfs/dbraw/zinc/34/50/58/962345058.db2.gz OXQVETLMLJZDSZ-OKILXGFUSA-N -1 0 313.353 3.613 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000263215827 962370008 /nfs/dbraw/zinc/37/00/08/962370008.db2.gz XKZKOHDRVUECHO-UHFFFAOYSA-N -1 0 323.477 3.942 20 0 DHADRM Cc1ccc([C@H]2CCCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263266595 962404823 /nfs/dbraw/zinc/40/48/23/962404823.db2.gz HLMIYJTZAVTNDE-MRXNPFEDSA-N -1 0 303.402 3.694 20 0 DHADRM CC(C)(C)C1CCC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000263291373 962429952 /nfs/dbraw/zinc/42/99/52/962429952.db2.gz RDNMUCMPRRIEKX-DICYVTDZSA-N -1 0 323.477 3.846 20 0 DHADRM CSc1ccc([C@H](C)NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066045326 1013342433 /nfs/dbraw/zinc/34/24/33/1013342433.db2.gz APYUAHANDFUZSX-VIFPVBQESA-N -1 0 323.364 3.883 20 0 DHADRM CC(C)Nc1cccc(F)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588928469 962453530 /nfs/dbraw/zinc/45/35/30/962453530.db2.gz YDBWKOWZIXYZHW-UHFFFAOYSA-N -1 0 316.332 3.597 20 0 DHADRM O=C([O-])CCCCC(=O)NC(c1cccs1)c1cccs1 ZINC000263311911 962454507 /nfs/dbraw/zinc/45/45/07/962454507.db2.gz PKZSETABFVFYSA-UHFFFAOYSA-N -1 0 323.439 3.660 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000263366359 962525754 /nfs/dbraw/zinc/52/57/54/962525754.db2.gz ZZCGZZOGXJVJNZ-RDTXWAMCSA-N -1 0 323.392 3.711 20 0 DHADRM CCc1c(NC2CCC(C(=O)[O-])CC2)cnn1C(CC)CC ZINC000263405986 962571959 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/nfs/dbraw/zinc/15/47/25/974154725.db2.gz LORWYCLMYWUGLN-UHFFFAOYSA-N -1 0 321.417 3.694 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc3c2CCCC3)c(F)c1 ZINC000478840544 974210276 /nfs/dbraw/zinc/21/02/76/974210276.db2.gz SIMIZQGXCGLELY-UHFFFAOYSA-N -1 0 313.328 3.655 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478847425 974211223 /nfs/dbraw/zinc/21/12/23/974211223.db2.gz DUZVYQITSMBONQ-XHDPSFHLSA-N -1 0 307.365 3.613 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478852530 974211894 /nfs/dbraw/zinc/21/18/94/974211894.db2.gz LCGFPNMLMBGLBX-LBPRGKRZSA-N -1 0 315.344 3.632 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C/c2ccsc2)cc1)C(=O)[O-] ZINC000493835973 974261363 /nfs/dbraw/zinc/26/13/63/974261363.db2.gz KZAXRXQVLKHKSH-NTYUQYKDSA-N -1 0 315.394 3.663 20 0 DHADRM CC(C)(CC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000087726097 1014183800 /nfs/dbraw/zinc/18/38/00/1014183800.db2.gz HITXAECQBNYEQI-ZDUSSCGKSA-N -1 0 309.793 3.504 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1c(F)cccc1Cl ZINC000516872564 974310933 /nfs/dbraw/zinc/31/09/33/974310933.db2.gz FVGRSOHRACTTEV-VIFPVBQESA-N -1 0 311.740 3.963 20 0 DHADRM Cc1cc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000534165722 974378572 /nfs/dbraw/zinc/37/85/72/974378572.db2.gz LNZAOLBDUSOLAF-SNVBAGLBSA-N -1 0 319.307 3.714 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC000540672704 974404360 /nfs/dbraw/zinc/40/43/60/974404360.db2.gz SIRRTCGNXADZJJ-CQSZACIVSA-N -1 0 319.445 3.892 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cc1 ZINC000556931723 974490793 /nfs/dbraw/zinc/49/07/93/974490793.db2.gz WVYYVMLDTFSVGC-SFHVURJKSA-N -1 0 312.365 4.000 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000563200575 974518619 /nfs/dbraw/zinc/51/86/19/974518619.db2.gz IOCBISRLXDCGJQ-LPEHRKFASA-N -1 0 317.838 3.511 20 0 DHADRM O=C([O-])c1cccc(Cl)c1CN1CCc2ccsc2C1 ZINC000566073409 974593718 /nfs/dbraw/zinc/59/37/18/974593718.db2.gz FTZPXYPWRLJFGI-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM CC(C)(CC(=O)N1Cc2ccccc2-c2ccccc21)C(=O)[O-] ZINC000656248449 1014209479 /nfs/dbraw/zinc/20/94/79/1014209479.db2.gz CQQYJXVRWRPSPQ-UHFFFAOYSA-N -1 0 309.365 3.701 20 0 DHADRM CCN(Cc1nc(C(=O)[O-])cs1)[C@H](C)c1ccc(F)cc1 ZINC000572249685 974744569 /nfs/dbraw/zinc/74/45/69/974744569.db2.gz UWWUSXCJWXFIDS-SNVBAGLBSA-N -1 0 308.378 3.564 20 0 DHADRM CCN(Cc1nc(C(=O)[O-])cs1)[C@@H](C)c1ccc(F)cc1 ZINC000572249684 974744670 /nfs/dbraw/zinc/74/46/70/974744670.db2.gz UWWUSXCJWXFIDS-JTQLQIEISA-N -1 0 308.378 3.564 20 0 DHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1 ZINC000573022057 974758502 /nfs/dbraw/zinc/75/85/02/974758502.db2.gz ROWNSVDSBRLNLT-GFCCVEGCSA-N -1 0 316.328 3.606 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000573980613 974774824 /nfs/dbraw/zinc/77/48/24/974774824.db2.gz ATMIHUKBUAYZJC-JTQLQIEISA-N -1 0 318.373 3.565 20 0 DHADRM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccc2Cl)o1 ZINC000574165297 974778018 /nfs/dbraw/zinc/77/80/18/974778018.db2.gz ZRUSYZSSTWWLOZ-CQSZACIVSA-N -1 0 305.761 3.968 20 0 DHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cccc(C(F)F)c1)CC2 ZINC000574332587 974780714 /nfs/dbraw/zinc/78/07/14/974780714.db2.gz DUTXHYMLKBVPPD-UHFFFAOYSA-N -1 0 317.335 3.881 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000574413570 974782617 /nfs/dbraw/zinc/78/26/17/974782617.db2.gz GPMUBJHUXVTPQB-LBPRGKRZSA-N -1 0 323.820 3.547 20 0 DHADRM Cc1csc(-c2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)n1 ZINC000578247975 974851783 /nfs/dbraw/zinc/85/17/83/974851783.db2.gz PRYCFDHWLGBXSI-SNVBAGLBSA-N -1 0 318.398 3.558 20 0 DHADRM Cc1cc(Cl)c(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1C ZINC000580513743 974894798 /nfs/dbraw/zinc/89/47/98/974894798.db2.gz NCTRSCPYEPIVQU-UHFFFAOYSA-N -1 0 323.820 3.864 20 0 DHADRM COc1cc(NC(=O)CC2(C)CCCCC2)ccc1C(=O)[O-] ZINC000580904422 974902003 /nfs/dbraw/zinc/90/20/03/974902003.db2.gz RDHIQBWRWIIYGO-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000595243651 974992461 /nfs/dbraw/zinc/99/24/61/974992461.db2.gz OARJVQKFSPRYBM-CQSZACIVSA-N -1 0 321.442 3.769 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)oc1C(=O)[O-] ZINC000630107155 975103815 /nfs/dbraw/zinc/10/38/15/975103815.db2.gz BUSFYJCRXMWKBG-HNNXBMFYSA-N -1 0 315.369 3.803 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)oc1C(=O)[O-] ZINC000630113058 975107104 /nfs/dbraw/zinc/10/71/04/975107104.db2.gz OQOYKHQPLCNTJE-AWEZNQCLSA-N -1 0 319.401 3.861 20 0 DHADRM CCC[C@H](C(=O)N(CC)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000630125334 975111711 /nfs/dbraw/zinc/11/17/11/975111711.db2.gz UIKOZGLPDGKSFK-AWEZNQCLSA-N -1 0 311.809 3.547 20 0 DHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000630132143 975117088 /nfs/dbraw/zinc/11/70/88/975117088.db2.gz QTCRIODOOWIQLZ-JKSUJKDBSA-N -1 0 309.365 3.744 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000630134351 975119259 /nfs/dbraw/zinc/11/92/59/975119259.db2.gz VSPBIUNQKKXFSV-ZCFIWIBFSA-N -1 0 309.671 3.565 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000630134348 975119269 /nfs/dbraw/zinc/11/92/69/975119269.db2.gz VSPBIUNQKKXFSV-LURJTMIESA-N -1 0 309.671 3.565 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000630197475 975155514 /nfs/dbraw/zinc/15/55/14/975155514.db2.gz SCACDMBQUNKVNR-RISCZKNCSA-N -1 0 307.365 3.608 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)C(C)(C)C ZINC000630205744 975159052 /nfs/dbraw/zinc/15/90/52/975159052.db2.gz CTOSWURHGUGGTN-FXUDXRNXSA-N -1 0 323.477 3.941 20 0 DHADRM CCCc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000630218568 975164858 /nfs/dbraw/zinc/16/48/58/975164858.db2.gz HPALNCGDHIQNMO-UHFFFAOYSA-N -1 0 315.394 3.555 20 0 DHADRM C[C@@H](CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1 ZINC000630272062 975216336 /nfs/dbraw/zinc/21/63/36/975216336.db2.gz AEXTUJQCSDEZSD-BPUTZDHNSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)c1 ZINC000630290901 975233039 /nfs/dbraw/zinc/23/30/39/975233039.db2.gz ZVHVSHVONHHLLI-JYJNAYRXSA-N -1 0 317.429 3.714 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000630294226 975235032 /nfs/dbraw/zinc/23/50/32/975235032.db2.gz HFGFVUSHEKGIML-SJORKVTESA-N -1 0 317.429 3.816 20 0 DHADRM CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1=CCCCC1 ZINC000630301288 975239798 /nfs/dbraw/zinc/23/97/98/975239798.db2.gz HONKWWPLRFMUMW-KBPBESRZSA-N -1 0 307.434 3.520 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000630314346 975247902 /nfs/dbraw/zinc/24/79/02/975247902.db2.gz ZXHGCBXBEGQTOE-AWEZNQCLSA-N -1 0 323.392 3.759 20 0 DHADRM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328442 975256091 /nfs/dbraw/zinc/25/60/91/975256091.db2.gz BBXYNOVQTKVMGT-BJKJVOPESA-N -1 0 301.386 3.640 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1C ZINC000630329362 975257629 /nfs/dbraw/zinc/25/76/29/975257629.db2.gz XUQHMHHQKKZNLH-ZWKOTPCHSA-N -1 0 323.392 3.673 20 0 DHADRM C[C@H](CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccco1 ZINC000630330543 975258879 /nfs/dbraw/zinc/25/88/79/975258879.db2.gz RAIPDGYYXAELDG-BYCMXARLSA-N -1 0 313.353 3.600 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000630330972 975259611 /nfs/dbraw/zinc/25/96/11/975259611.db2.gz VEUCQAZRYSPKGX-VNQPRFMTSA-N -1 0 313.397 3.784 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC000647598038 975369956 /nfs/dbraw/zinc/36/99/56/975369956.db2.gz BYGJCMPUXJFPQU-OSAQELSMSA-N -1 0 303.402 3.886 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc(C3CCCC3)ns2)C1 ZINC000649405777 975418514 /nfs/dbraw/zinc/41/85/14/975418514.db2.gz MHBGMHXVKQNSKI-GFCCVEGCSA-N -1 0 323.462 3.523 20 0 DHADRM CC(C)Nc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001591672220 975433636 /nfs/dbraw/zinc/43/36/36/975433636.db2.gz ONHGJFYTPAFQME-UHFFFAOYSA-N -1 0 316.332 3.597 20 0 DHADRM C[C@@](CNc1ccc(C(F)(F)F)cn1)(C(=O)[O-])c1ccccc1 ZINC000650776896 975452831 /nfs/dbraw/zinc/45/28/31/975452831.db2.gz MKOPMJIJMUZULG-HNNXBMFYSA-N -1 0 324.302 3.555 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000652072649 975469451 /nfs/dbraw/zinc/46/94/51/975469451.db2.gz GFEGNXUFAYWFAQ-XZJROXQQSA-N -1 0 301.386 3.640 20 0 DHADRM Cc1cc([C@H](C)N2CCc3cc(F)ccc3C2)oc1C(=O)[O-] ZINC000652415697 975526465 /nfs/dbraw/zinc/52/64/65/975526465.db2.gz CLGOHPVZUOWNJZ-NSHDSACASA-N -1 0 303.333 3.545 20 0 DHADRM Cc1oc(CN(Cc2c(F)cccc2F)C2CC2)cc1C(=O)[O-] ZINC000652435460 975532278 /nfs/dbraw/zinc/53/22/78/975532278.db2.gz KHOJNWGQOYOMJC-UHFFFAOYSA-N -1 0 321.323 3.729 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653642922 975610678 /nfs/dbraw/zinc/61/06/78/975610678.db2.gz FGVGTJIEXIECEE-KRWDZBQOSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000656249025 975657837 /nfs/dbraw/zinc/65/78/37/975657837.db2.gz NDICTLKKSBCHNJ-ZDUSSCGKSA-N -1 0 309.365 3.701 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000656484501 975659509 /nfs/dbraw/zinc/65/95/09/975659509.db2.gz SYSVUTOVLPGRJB-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CC(C)OCc1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001591734275 975715277 /nfs/dbraw/zinc/71/52/77/975715277.db2.gz CHTXFXBNPAQXNZ-UHFFFAOYSA-N -1 0 319.382 3.624 20 0 DHADRM CC1(C)CC(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC(C)(C)C1 ZINC000659118905 975716123 /nfs/dbraw/zinc/71/61/23/975716123.db2.gz CNPHQCDVDIGVAY-AWEZNQCLSA-N -1 0 321.461 3.552 20 0 DHADRM CC[C@](C)(NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000659126554 975725917 /nfs/dbraw/zinc/72/59/17/975725917.db2.gz VRGBDLYBCDUPNV-AWEZNQCLSA-N -1 0 311.790 3.538 20 0 DHADRM CC(C)OCc1cccc(-c2cccc([C@](C)(O)C(=O)[O-])c2)c1 ZINC001591735843 975728388 /nfs/dbraw/zinc/72/83/88/975728388.db2.gz VBBHKHSMDFMIJA-IBGZPJMESA-N -1 0 314.381 3.571 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000659135971 975737069 /nfs/dbraw/zinc/73/70/69/975737069.db2.gz ARSLMAVWJDXDMB-CYBMUJFWSA-N -1 0 315.413 3.958 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)C2CCC(C3CC3)CC2)c1 ZINC000659137307 975738095 /nfs/dbraw/zinc/73/80/95/975738095.db2.gz JMPYHUYDSAKYRY-UHFFFAOYSA-N -1 0 305.349 3.679 20 0 DHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2cccnc12 ZINC000659146806 975746859 /nfs/dbraw/zinc/74/68/59/975746859.db2.gz QDQUYLXQDHBXQM-UHFFFAOYSA-N -1 0 324.380 3.517 20 0 DHADRM CC1=CC[C@](C)(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1 ZINC000659160929 975760228 /nfs/dbraw/zinc/76/02/28/975760228.db2.gz PCTGOIQTQSCUHZ-ACJLOTCBSA-N -1 0 301.386 3.950 20 0 DHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000659168865 975768412 /nfs/dbraw/zinc/76/84/12/975768412.db2.gz ZVCRPZAAYXNXMB-AWEZNQCLSA-N -1 0 313.353 3.572 20 0 DHADRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC000659182453 975776787 /nfs/dbraw/zinc/77/67/87/975776787.db2.gz NTEGKEMBQOSMJK-DOMZBBRYSA-N -1 0 317.429 3.603 20 0 DHADRM CC(C)Oc1c(NC(=O)c2cccc(F)c2)cccc1C(=O)[O-] ZINC001591746092 975777183 /nfs/dbraw/zinc/77/71/83/975777183.db2.gz ASXWZXILABQLCR-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CC1(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CCCC1 ZINC000659184059 975780461 /nfs/dbraw/zinc/78/04/61/975780461.db2.gz IBDMUDCLSJDGAT-HNNXBMFYSA-N -1 0 315.413 3.501 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccoc1Cl ZINC001591771977 975902455 /nfs/dbraw/zinc/90/24/55/975902455.db2.gz UKNAICKHBRJJJG-UHFFFAOYSA-N -1 0 323.732 3.671 20 0 DHADRM CC(C)Oc1ccc(COC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001591775157 975915950 /nfs/dbraw/zinc/91/59/50/975915950.db2.gz IQYFVQUJGMVKLC-UHFFFAOYSA-N -1 0 314.337 3.529 20 0 DHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000663261910 975939506 /nfs/dbraw/zinc/93/95/06/975939506.db2.gz OVDMFAGWBUEKRR-ZDUSSCGKSA-N -1 0 313.275 3.522 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2cccc(C)c2s1 ZINC000668277440 975982056 /nfs/dbraw/zinc/98/20/56/975982056.db2.gz HSYCKOGRENBYEP-LLVKDONJSA-N -1 0 305.399 3.535 20 0 DHADRM Cc1cccc2cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)sc21 ZINC000668281588 975984517 /nfs/dbraw/zinc/98/45/17/975984517.db2.gz ZBJWAKIXSMQFLY-NSHDSACASA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001591791794 975989833 /nfs/dbraw/zinc/98/98/33/975989833.db2.gz OCLBSUSSLNFFJL-GFCCVEGCSA-N -1 0 300.358 3.740 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000668322635 975997773 /nfs/dbraw/zinc/99/77/73/975997773.db2.gz AJODRZICVAZWDE-MRXNPFEDSA-N -1 0 317.429 3.602 20 0 DHADRM CCCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669436230 976003976 /nfs/dbraw/zinc/00/39/76/976003976.db2.gz FSXUZOJPMZLSOP-QGZVFWFLSA-N -1 0 323.392 3.858 20 0 DHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001591804566 976029357 /nfs/dbraw/zinc/02/93/57/976029357.db2.gz JJJLPEUNKCLWSW-UHFFFAOYSA-N -1 0 320.370 3.878 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679104266 976045520 /nfs/dbraw/zinc/04/55/20/976045520.db2.gz SRCGMKOWCQJAJM-HUUCEWRRSA-N -1 0 311.466 3.942 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679106677 976047741 /nfs/dbraw/zinc/04/77/41/976047741.db2.gz SUYSWVRUSBEYRO-CVEARBPZSA-N -1 0 323.477 3.942 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679106678 976048008 /nfs/dbraw/zinc/04/80/08/976048008.db2.gz SUYSWVRUSBEYRO-HOTGVXAUSA-N -1 0 323.477 3.942 20 0 DHADRM CC(C)Sc1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001591829544 976092624 /nfs/dbraw/zinc/09/26/24/976092624.db2.gz PJSJTXZJHYIQMI-OCCSQVGLSA-N -1 0 321.442 3.560 20 0 DHADRM CCOc1c(Cl)cccc1NC(=O)c1cccc(F)c1[O-] ZINC001125471019 1014320186 /nfs/dbraw/zinc/32/01/86/1014320186.db2.gz AJMOODHYLKGZMF-UHFFFAOYSA-N -1 0 309.724 3.836 20 0 DHADRM CC(C)c1[nH]c(CNc2ccnn2[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC001591918266 976382339 /nfs/dbraw/zinc/38/23/39/976382339.db2.gz PJHOOPHVRYQPHK-NSHDSACASA-N -1 0 316.405 3.616 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591935110 976449220 /nfs/dbraw/zinc/44/92/20/976449220.db2.gz SBHMGUZFHAZKMX-ZYHUDNBSSA-N -1 0 303.736 3.841 20 0 DHADRM CC(C)c1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1Cl ZINC001591943103 976475351 /nfs/dbraw/zinc/47/53/51/976475351.db2.gz CSUMXUJODJZVAM-UHFFFAOYSA-N -1 0 323.820 3.933 20 0 DHADRM CC(C)c1ccc(CCC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001591953243 976515693 /nfs/dbraw/zinc/51/56/93/976515693.db2.gz UXIAFKMGQTVEBE-AWEZNQCLSA-N -1 0 317.429 3.597 20 0 DHADRM CC(C)c1ccc(C[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001591957596 976531766 /nfs/dbraw/zinc/53/17/66/976531766.db2.gz RRRBWSRVFVHHEQ-UHFFFAOYSA-N -1 0 318.804 3.846 20 0 DHADRM Cc1nc(C=Cc2ccc(C3CCC3)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000580756303 1014334462 /nfs/dbraw/zinc/33/44/62/1014334462.db2.gz FFBPLIQXWMJKDM-JXMROGBWSA-N -1 0 324.380 3.556 20 0 DHADRM CC(C)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cn1 ZINC001591963335 976554133 /nfs/dbraw/zinc/55/41/33/976554133.db2.gz ZPSSWIHUORMPDA-UHFFFAOYSA-N -1 0 304.390 3.569 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(C(=O)[O-])c1 ZINC001591963306 976554217 /nfs/dbraw/zinc/55/42/17/976554217.db2.gz YWVFOVPPHWZMOP-YXCITZCRSA-N -1 0 301.386 3.739 20 0 DHADRM CC(C)c1ccc2c(c1)CCCN2C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591973524 976576561 /nfs/dbraw/zinc/57/65/61/976576561.db2.gz CNOWAVAMHUJFET-DZGCQCFKSA-N -1 0 309.356 3.529 20 0 DHADRM CC(C)c1ccc2c(c1)CCN([C@@H](C)c1nc(C(=O)[O-])co1)C2 ZINC001591974013 976583978 /nfs/dbraw/zinc/58/39/78/976583978.db2.gz NTOKBQOABZFSKB-LBPRGKRZSA-N -1 0 314.385 3.616 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N(CCC(=O)[O-])C(C)C)c2c1 ZINC001591981660 976597800 /nfs/dbraw/zinc/59/78/00/976597800.db2.gz VGSBYZSCEPSWAB-UHFFFAOYSA-N -1 0 317.385 3.882 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591993929 976625422 /nfs/dbraw/zinc/62/54/22/976625422.db2.gz AVWXSECZWDYEFR-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM CC(C)c1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001591994281 976630162 /nfs/dbraw/zinc/63/01/62/976630162.db2.gz HLDNFEWKOHHAPW-UHFFFAOYSA-N -1 0 309.365 3.711 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001591995109 976639056 /nfs/dbraw/zinc/63/90/56/976639056.db2.gz SFGAGBSLSWPUGU-UONOGXRCSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001591995544 976641488 /nfs/dbraw/zinc/64/14/88/976641488.db2.gz ZHTAIALUOWMJDQ-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM CC(C)c1cnc(NC(=O)CC2(CC(=O)[O-])CCCC2)s1 ZINC001592002628 976651660 /nfs/dbraw/zinc/65/16/60/976651660.db2.gz LBUHAUUBPAOAHE-UHFFFAOYSA-N -1 0 310.419 3.630 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)sc1C(=O)[O-] ZINC001592028649 976729255 /nfs/dbraw/zinc/72/92/55/976729255.db2.gz PLHKFPOVWBYMBT-OUAUKWLOSA-N -1 0 320.414 3.506 20 0 DHADRM CC(C)c1ncsc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001592042556 976770006 /nfs/dbraw/zinc/77/00/06/976770006.db2.gz NXICFFYFBMJLOL-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CC(C)c1nnc(CSCc2csc(C(=O)[O-])c2)s1 ZINC001592061000 976810876 /nfs/dbraw/zinc/81/08/76/976810876.db2.gz IUZGUYSSCLIIJI-UHFFFAOYSA-N -1 0 314.457 3.855 20 0 DHADRM CC(C)c1nsc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001592106446 976883616 /nfs/dbraw/zinc/88/36/16/976883616.db2.gz RAUMNHCKYYSTKR-NWDGAFQWSA-N -1 0 303.387 3.593 20 0 DHADRM CC(C)S(=O)(=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211340476 1014360520 /nfs/dbraw/zinc/36/05/20/1014360520.db2.gz VSHBKNSCVVTXHR-UHFFFAOYSA-N -1 0 312.337 3.520 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592142932 976992713 /nfs/dbraw/zinc/99/27/13/976992713.db2.gz WUBGRFPHSNUQEO-UHFFFAOYSA-N -1 0 324.739 3.812 20 0 DHADRM CC(C)n1nccc1/C=C(\C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001592163953 977061526 /nfs/dbraw/zinc/06/15/26/977061526.db2.gz ZSGVAEPMZKDXHE-WQLSENKSSA-N -1 0 319.430 3.843 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)CC(C)(C)C ZINC001592259842 977500141 /nfs/dbraw/zinc/50/01/41/977500141.db2.gz RKWGYPQVSGYLLD-GDBMZVCRSA-N -1 0 319.445 3.651 20 0 DHADRM O=C([O-])[C@@H]1CCCN1c1nc(-c2ccccc2Cl)cs1 ZINC000262122022 1014409487 /nfs/dbraw/zinc/40/94/87/1014409487.db2.gz MGBLFQUCIHOGFL-LBPRGKRZSA-N -1 0 308.790 3.517 20 0 DHADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cnn1CCC(C)C ZINC000441718978 1014423722 /nfs/dbraw/zinc/42/37/22/1014423722.db2.gz ORQGOSSWWQVHII-UHFFFAOYSA-N -1 0 321.808 3.849 20 0 DHADRM Cc1ccc(C)c(C(=O)NCCC2=CCCCC2)c1C(=O)[O-] ZINC000389349809 1014445258 /nfs/dbraw/zinc/44/52/58/1014445258.db2.gz STFPHSWGSPFNKY-UHFFFAOYSA-N -1 0 301.386 3.622 20 0 DHADRM C[C@@H](CC(=O)[O-])SCCc1ccccc1Br ZINC001592422385 978035649 /nfs/dbraw/zinc/03/56/49/978035649.db2.gz NIDATLVUBWYPAF-VIFPVBQESA-N -1 0 303.221 3.588 20 0 DHADRM C[C@@H](CC(=O)[O-])c1ccc(-c2ccc3c(c2)COC(=O)N3)cc1 ZINC001592424901 978048652 /nfs/dbraw/zinc/04/86/52/978048652.db2.gz ZLJAOFLNHZLLAE-NSHDSACASA-N -1 0 311.337 3.994 20 0 DHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001592424894 978049033 /nfs/dbraw/zinc/04/90/33/978049033.db2.gz ZHWQBRTVUQHIEG-BMIGLBTASA-N -1 0 322.357 3.750 20 0 DHADRM C[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)C(F)(F)F ZINC001592433077 978064293 /nfs/dbraw/zinc/06/42/93/978064293.db2.gz BNDOAYVFBGQSHU-SSDOTTSWSA-N -1 0 324.682 3.670 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592434074 978071152 /nfs/dbraw/zinc/07/11/52/978071152.db2.gz SBSUGRYKYIOANR-LBPRGKRZSA-N -1 0 323.348 3.965 20 0 DHADRM C[C@@H](CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001592434145 978072057 /nfs/dbraw/zinc/07/20/57/978072057.db2.gz UKBYSBTYMDNGIK-AWEZNQCLSA-N -1 0 312.365 3.551 20 0 DHADRM C[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)c1ccco1 ZINC001592434390 978074001 /nfs/dbraw/zinc/07/40/01/978074001.db2.gz YTFWDMADJSAWOW-SNVBAGLBSA-N -1 0 322.744 3.868 20 0 DHADRM C[C@@H](CC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001592439286 978089142 /nfs/dbraw/zinc/08/91/42/978089142.db2.gz FEMIDLMJHNHZEE-BPUTZDHNSA-N -1 0 317.429 3.876 20 0 DHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592454417 978164254 /nfs/dbraw/zinc/16/42/54/978164254.db2.gz OQJSWNHKLWAPDG-ZCFIWIBFSA-N -1 0 309.671 3.565 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592466231 978211334 /nfs/dbraw/zinc/21/13/34/978211334.db2.gz SOBODUWLDXCVBE-VIFPVBQESA-N -1 0 310.781 3.588 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592466548 978213544 /nfs/dbraw/zinc/21/35/44/978213544.db2.gz YLLNXETZMGHQQI-XJKSGUPXSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@H](CCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001592470174 978218991 /nfs/dbraw/zinc/21/89/91/978218991.db2.gz FDSRRIMVNVOHBG-PBHICJAKSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592476883 978238344 /nfs/dbraw/zinc/23/83/44/978238344.db2.gz BXERMMBHCZGNFS-LLVKDONJSA-N -1 0 324.396 3.538 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592477538 978244722 /nfs/dbraw/zinc/24/47/22/978244722.db2.gz MEBHXMYJLBXMJN-LBPRGKRZSA-N -1 0 321.421 3.594 20 0 DHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592478130 978249426 /nfs/dbraw/zinc/24/94/26/978249426.db2.gz RRXHPHMDHVRYII-VIFPVBQESA-N -1 0 318.295 3.627 20 0 DHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592478854 978254374 /nfs/dbraw/zinc/25/43/74/978254374.db2.gz ZMLGGAAYKYFZMA-SECBINFHSA-N -1 0 318.295 3.627 20 0 DHADRM C[C@H](CCCC(F)(F)F)OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592484688 978258515 /nfs/dbraw/zinc/25/85/15/978258515.db2.gz DTJRENRQAVOGOG-XNPJLODASA-N -1 0 320.263 3.655 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736250606 978313468 /nfs/dbraw/zinc/31/34/68/978313468.db2.gz JOZUDXVGRASEAJ-GFCCVEGCSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)c1ccsc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736522480 978339912 /nfs/dbraw/zinc/33/99/12/978339912.db2.gz GFFKKDRBXIPDMY-CYBMUJFWSA-N -1 0 315.394 3.700 20 0 DHADRM CC[C@@H](CC(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000736894539 978364783 /nfs/dbraw/zinc/36/47/83/978364783.db2.gz QSOZOKDWVMZPEP-ZDUSSCGKSA-N -1 0 316.353 3.913 20 0 DHADRM CCC/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736973282 978370016 /nfs/dbraw/zinc/37/00/16/978370016.db2.gz IKVYSGWJLSJHRQ-KXPUMZMLSA-N -1 0 317.429 3.972 20 0 DHADRM CCCC[C@H](CC)CNC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000736982106 978370793 /nfs/dbraw/zinc/37/07/93/978370793.db2.gz LONOYNBSRUVSGX-LBPRGKRZSA-N -1 0 308.447 3.888 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccc(Cl)cc1 ZINC000761649886 978713449 /nfs/dbraw/zinc/71/34/49/978713449.db2.gz JOEPDMAZRHHUKO-PXUDHTSWSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cccc2cc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)oc21 ZINC000766842566 978726545 /nfs/dbraw/zinc/72/65/45/978726545.db2.gz FKBABNJBFYYNNK-UHFFFAOYSA-N -1 0 321.332 3.642 20 0 DHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/C2CC2)cc1 ZINC000767026088 978731855 /nfs/dbraw/zinc/73/18/55/978731855.db2.gz TWFOICATYFHUSF-RFKZRZAASA-N -1 0 315.413 3.582 20 0 DHADRM O=C(c1ncccc1O)N1CCC[C@H]1CCC1CCCCC1 ZINC000427750626 1014521688 /nfs/dbraw/zinc/52/16/88/1014521688.db2.gz ZSKSPFZSMWOWDB-HNNXBMFYSA-N -1 0 302.418 3.752 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000777377744 978778057 /nfs/dbraw/zinc/77/80/57/978778057.db2.gz BJVOOVIELPWRDN-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CC(C)CC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCC1 ZINC000811819845 978863885 /nfs/dbraw/zinc/86/38/85/978863885.db2.gz IKJUODWPOWDIHF-UHFFFAOYSA-N -1 0 323.820 3.984 20 0 DHADRM C[C@H]1CCC[C@@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820149 978865018 /nfs/dbraw/zinc/86/50/18/978865018.db2.gz PIBHNOFPMMCLMK-WDEREUQCSA-N -1 0 309.793 3.594 20 0 DHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827073173 978952661 /nfs/dbraw/zinc/95/26/61/978952661.db2.gz SSQNKPAEEJEQLD-VIFPVBQESA-N -1 0 315.822 3.890 20 0 DHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830811052 979021704 /nfs/dbraw/zinc/02/17/04/979021704.db2.gz KMRPZQNSAWTYDL-UHFFFAOYSA-N -1 0 324.336 3.795 20 0 DHADRM CC[C@@H](C)n1nc(Nc2ncc(C(=O)[O-])cc2Cl)cc1C ZINC001595023910 979120524 /nfs/dbraw/zinc/12/05/24/979120524.db2.gz NCELBAOVHLUQNE-MRVPVSSYSA-N -1 0 308.769 3.653 20 0 DHADRM CC[C@H](CC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-])C(C)(C)C ZINC001595029998 979162287 /nfs/dbraw/zinc/16/22/87/979162287.db2.gz IWZNUHFVLZZWQP-RDTXWAMCSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@@H](CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC001595030053 979163807 /nfs/dbraw/zinc/16/38/07/979163807.db2.gz KOVMWQLRCCARQV-INIZCTEOSA-N -1 0 319.445 3.951 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001595033016 979172081 /nfs/dbraw/zinc/17/20/81/979172081.db2.gz AFYNCQMSKVPNJG-INMHGKMJSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC001595033631 979176406 /nfs/dbraw/zinc/17/64/06/979176406.db2.gz OHJXBJSCNBHOHB-ZFWWWQNUSA-N -1 0 323.408 3.920 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000263498834 1014556069 /nfs/dbraw/zinc/55/60/69/1014556069.db2.gz KHXKLEDHRKSJOZ-KOLCDFICSA-N -1 0 302.201 3.679 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595036454 979196015 /nfs/dbraw/zinc/19/60/15/979196015.db2.gz TUPIKGMPARHWKI-LBPRGKRZSA-N -1 0 310.415 3.841 20 0 DHADRM CC[C@H](CC(F)F)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001595042923 979240680 /nfs/dbraw/zinc/24/06/80/979240680.db2.gz YEYLTZDNGXKSPO-PELKAZGASA-N -1 0 320.719 3.690 20 0 DHADRM C[C@H](CNc1ncc(C(=O)[O-])cc1C(F)(F)F)CC(F)F ZINC001592729776 979245625 /nfs/dbraw/zinc/24/56/25/979245625.db2.gz RCTKGWBXILEKDR-LURJTMIESA-N -1 0 312.238 3.502 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 ZINC000836725540 979249537 /nfs/dbraw/zinc/24/95/37/979249537.db2.gz YSNMCTXQUNTCSG-XFNCEPBJSA-N -1 0 311.397 3.524 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccc(C)cc1 ZINC001595048673 979266756 /nfs/dbraw/zinc/26/67/56/979266756.db2.gz GXPUELGGNKICIL-KAMYIIQDSA-N -1 0 303.402 3.548 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1c(C)cccc1Cl ZINC001595051049 979282128 /nfs/dbraw/zinc/28/21/28/979282128.db2.gz LANUZBXFLBSGAN-UHFFFAOYSA-N -1 0 312.797 3.803 20 0 DHADRM CC[C@](CNC(=O)/C=C(\C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000840946972 979286300 /nfs/dbraw/zinc/28/63/00/979286300.db2.gz IGAFVXRBYBLQEP-XYDKVEKUSA-N -1 0 317.429 3.528 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001595057668 979301240 /nfs/dbraw/zinc/30/12/40/979301240.db2.gz BJFCZWIWQYLXPM-HOCLYGCPSA-N -1 0 319.445 3.651 20 0 DHADRM CCC(CC)(CCSc1nc(C)c(C2CC2)c(=O)[nH]1)C(=O)[O-] ZINC001595062974 979320792 /nfs/dbraw/zinc/32/07/92/979320792.db2.gz JBCIOPWWXHJOAS-UHFFFAOYSA-N -1 0 324.446 3.741 20 0 DHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCCC(=O)[O-] ZINC000844254129 979395761 /nfs/dbraw/zinc/39/57/61/979395761.db2.gz OSVAQLRXLIYIGV-CQSZACIVSA-N -1 0 303.402 3.631 20 0 DHADRM CCC(CC)(NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC001595097795 979396315 /nfs/dbraw/zinc/39/63/15/979396315.db2.gz IQMGZPVZDLCCSQ-UHFFFAOYSA-N -1 0 317.385 3.929 20 0 DHADRM CCC(CC)N(C(=O)Nc1cccc(CCC(=O)[O-])c1)C1CC1 ZINC001595114308 979462705 /nfs/dbraw/zinc/46/27/05/979462705.db2.gz BNYZBKPTHBGTPV-UHFFFAOYSA-N -1 0 318.417 3.889 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595125688 979509101 /nfs/dbraw/zinc/50/91/01/979509101.db2.gz GENHVCUKLHLLGQ-HNNXBMFYSA-N -1 0 311.466 3.941 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)o1 ZINC000851595877 979509511 /nfs/dbraw/zinc/50/95/11/979509511.db2.gz RCGMTLZZIUPFIZ-SLZMIMFISA-N -1 0 317.385 3.562 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001595125730 979510512 /nfs/dbraw/zinc/51/05/12/979510512.db2.gz HFMFCCJVTKBMFM-ZFWWWQNUSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595125778 979511095 /nfs/dbraw/zinc/51/10/95/979511095.db2.gz IXSXHZOKCBPUQV-CWRNSKLLSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595125974 979513361 /nfs/dbraw/zinc/51/33/61/979513361.db2.gz BMOXRFGEINWHGW-CQSZACIVSA-N -1 0 324.421 3.599 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000851603483 979526490 /nfs/dbraw/zinc/52/64/90/979526490.db2.gz RTRBUWFXGITFOE-SJCJKPOMSA-N -1 0 309.381 3.807 20 0 DHADRM C[C@H](CSCCCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001592826349 979550342 /nfs/dbraw/zinc/55/03/42/979550342.db2.gz ZRVQMWVCJYVEIK-GFCCVEGCSA-N -1 0 319.467 3.525 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000852939528 979585758 /nfs/dbraw/zinc/58/57/58/979585758.db2.gz SKAQWJUUIWUUAT-DLBZAZTESA-N -1 0 317.429 3.722 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000852938432 979585780 /nfs/dbraw/zinc/58/57/80/979585780.db2.gz IOBRJYANYZULQN-MSOLQXFVSA-N -1 0 323.392 3.836 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000864103116 979687739 /nfs/dbraw/zinc/68/77/39/979687739.db2.gz BJPWCQCSLAPQGH-KRWDZBQOSA-N -1 0 309.365 3.574 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)NCC2CC(C)(C)C2)cc1)C(=O)[O-] ZINC001592867467 979715381 /nfs/dbraw/zinc/71/53/81/979715381.db2.gz QZGKZWDQLKIMSL-LBPRGKRZSA-N -1 0 318.417 3.508 20 0 DHADRM C[C@H](Cc1ccc(N[C@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592876659 979741399 /nfs/dbraw/zinc/74/13/99/979741399.db2.gz BXJOAWPWAZDXEB-KUHUBIRLSA-N -1 0 309.409 3.919 20 0 DHADRM C[C@@H](Cc1ccc(NCc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC001592877312 979744114 /nfs/dbraw/zinc/74/41/14/979744114.db2.gz JMCJZKKDZGWVLX-NSHDSACASA-N -1 0 305.324 3.840 20 0 DHADRM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)c1 ZINC000864157525 979769268 /nfs/dbraw/zinc/76/92/68/979769268.db2.gz MNSOOHFMLBINNW-QGZVFWFLSA-N -1 0 323.392 3.631 20 0 DHADRM O=C([O-])C1=CC[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000864162705 979781266 /nfs/dbraw/zinc/78/12/66/979781266.db2.gz OBQURCAAWKAYNM-KRWDZBQOSA-N -1 0 313.397 3.638 20 0 DHADRM Cc1ccc([C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000262154191 1014601636 /nfs/dbraw/zinc/60/16/36/1014601636.db2.gz JVLQBEPYNCTGOK-IBGZPJMESA-N -1 0 323.392 3.503 20 0 DHADRM CC[C@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC001595181590 979799283 /nfs/dbraw/zinc/79/92/83/979799283.db2.gz FRJYDDGJXAVZHN-QMMMGPOBSA-N -1 0 322.254 3.659 20 0 DHADRM C[C@H](Cc1ccco1)C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001592899582 979815674 /nfs/dbraw/zinc/81/56/74/979815674.db2.gz JHEJYPPITYMSGD-SNVBAGLBSA-N -1 0 322.744 3.553 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC000864178630 979824509 /nfs/dbraw/zinc/82/45/09/979824509.db2.gz HNJYISORMNPYRF-UHFFFAOYSA-N -1 0 319.382 3.796 20 0 DHADRM CC(C)n1ccc(C[C@H](C)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001592901935 979824809 /nfs/dbraw/zinc/82/48/09/979824809.db2.gz BDSXDAZDVRNXGP-KBPBESRZSA-N -1 0 315.417 3.695 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1 ZINC000864178749 979824940 /nfs/dbraw/zinc/82/49/40/979824940.db2.gz BNRYAPVRNVCDOJ-RDFMZFSFSA-N -1 0 301.386 3.512 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000864200289 979876210 /nfs/dbraw/zinc/87/62/10/979876210.db2.gz VGUJEUFNQOIAQN-QFBILLFUSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](Cc1nnc(NCc2ccc(C(=O)[O-])o2)o1)CC(C)(C)C ZINC001592912872 979882280 /nfs/dbraw/zinc/88/22/80/979882280.db2.gz OAAYYMHZONHUBI-SNVBAGLBSA-N -1 0 321.377 3.588 20 0 DHADRM CC(C)(CCC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000864204382 979886528 /nfs/dbraw/zinc/88/65/28/979886528.db2.gz XPJROAUKSIQLBR-IBGZPJMESA-N -1 0 317.429 3.504 20 0 DHADRM CC1=CC[C@@](C)(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000864226432 979912725 /nfs/dbraw/zinc/91/27/25/979912725.db2.gz FBJDULHPHCGHDT-IFXJQAMLSA-N -1 0 313.397 3.728 20 0 DHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(C)s1 ZINC000864227898 979917700 /nfs/dbraw/zinc/91/77/00/979917700.db2.gz HXNCDXIVNRPAKS-OAHLLOKOSA-N -1 0 317.410 3.619 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001592943763 980016681 /nfs/dbraw/zinc/01/66/81/980016681.db2.gz CTDNGPNQMULIRE-QWHCGFSZSA-N -1 0 312.312 3.599 20 0 DHADRM CC[C@@](NC(=O)C1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595237039 980140832 /nfs/dbraw/zinc/14/08/32/980140832.db2.gz UXRLUKQRFYLVNS-IBGZPJMESA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@](NC(=O)CCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595238640 980155996 /nfs/dbraw/zinc/15/59/96/980155996.db2.gz SYRMWBTZKDHPIM-LJQANCHMSA-N -1 0 317.429 3.853 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000899544134 980230203 /nfs/dbraw/zinc/23/02/03/980230203.db2.gz BXGRASAVSJUBAK-WWGRRREGSA-N -1 0 303.402 3.525 20 0 DHADRM CSCc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000900030754 980237938 /nfs/dbraw/zinc/23/79/38/980237938.db2.gz HSTFRXHMYWLBEL-CQSZACIVSA-N -1 0 307.440 3.527 20 0 DHADRM CSCc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000900030753 980238215 /nfs/dbraw/zinc/23/82/15/980238215.db2.gz HSTFRXHMYWLBEL-AWEZNQCLSA-N -1 0 307.440 3.527 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CC1(C)C ZINC001595257619 980247561 /nfs/dbraw/zinc/24/75/61/980247561.db2.gz SGARVCKNCGKOAI-HUUCEWRRSA-N -1 0 318.417 3.650 20 0 DHADRM Cn1c(Cl)ncc1-c1ccc(SCCCC(=O)[O-])cc1 ZINC000901059530 980259597 /nfs/dbraw/zinc/25/95/97/980259597.db2.gz QKXUDBFSYJUOLQ-UHFFFAOYSA-N -1 0 310.806 3.697 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1cc(C)ccc1C ZINC001595264703 980271541 /nfs/dbraw/zinc/27/15/41/980271541.db2.gz CRRCNYYCNMXVOX-CQSZACIVSA-N -1 0 315.369 3.784 20 0 DHADRM CSc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)o1 ZINC000901533701 980362335 /nfs/dbraw/zinc/36/23/35/980362335.db2.gz FMMPVRAVFLXKKT-HNNXBMFYSA-N -1 0 305.399 3.534 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000901539015 980366184 /nfs/dbraw/zinc/36/61/84/980366184.db2.gz GCGGWOGQRPAUCV-WBMJQRKESA-N -1 0 316.401 3.872 20 0 DHADRM COCc1csc(CNc2cccc(CCC(=O)[O-])c2)c1 ZINC000901555291 980380568 /nfs/dbraw/zinc/38/05/68/980380568.db2.gz 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Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)CC(C)(C)C ZINC000907586010 981197178 /nfs/dbraw/zinc/19/71/78/981197178.db2.gz JFFNOSLEDCYOFG-UHFFFAOYSA-N -1 0 321.417 3.859 20 0 DHADRM CC[C@H]1CN(Cc2ccc(C(=O)[O-])c(C)c2)c2ccccc2O1 ZINC001595486182 981226819 /nfs/dbraw/zinc/22/68/19/981226819.db2.gz ANGVUPVWNVVPHO-HNNXBMFYSA-N -1 0 311.381 3.871 20 0 DHADRM CSc1c(F)cccc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000656487865 1014719391 /nfs/dbraw/zinc/71/93/91/1014719391.db2.gz ZXHYDVDIJIQSHY-UHFFFAOYSA-N -1 0 311.378 3.521 20 0 DHADRM CC/C=C(\C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595507283 981288676 /nfs/dbraw/zinc/28/86/76/981288676.db2.gz CADDDWXNZOJCDF-KFRNIWOLSA-N -1 0 316.275 3.888 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000908337552 981302755 /nfs/dbraw/zinc/30/27/55/981302755.db2.gz CDVBHFLVDAPJFF-CVEARBPZSA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908502343 981319322 /nfs/dbraw/zinc/31/93/22/981319322.db2.gz XXVOMYORXRASIP-NEPJUHHUSA-N -1 0 305.374 3.548 20 0 DHADRM CCCC(C)(C)N(Cc1cccs1)C(=O)CCCC(=O)[O-] ZINC001595538135 981390167 /nfs/dbraw/zinc/39/01/67/981390167.db2.gz FZZQSPMENDQEMZ-UHFFFAOYSA-N -1 0 311.447 3.910 20 0 DHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(Cl)c1 ZINC001595538845 981394660 /nfs/dbraw/zinc/39/46/60/981394660.db2.gz WQISQELXCZZDHF-LLVKDONJSA-N -1 0 322.748 3.549 20 0 DHADRM CCC[C@H](C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC)C(C)C ZINC001595539208 981397742 /nfs/dbraw/zinc/39/77/42/981397742.db2.gz XFCUWPJNBSSHIS-PLWJUESGSA-N -1 0 320.385 3.771 20 0 DHADRM CCC[C@@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595542956 981404893 /nfs/dbraw/zinc/40/48/93/981404893.db2.gz YMVQCLZWXHSKHW-OAHLLOKOSA-N -1 0 310.419 3.874 20 0 DHADRM Cc1ccc2sc(C(=O)NCCCCCC(=O)[O-])cc2c1 ZINC000909088264 981416395 /nfs/dbraw/zinc/41/63/95/981416395.db2.gz FSJZTYPLYVOEQX-UHFFFAOYSA-N -1 0 305.399 3.585 20 0 DHADRM CCC[C@](C)(NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001595553461 981429803 /nfs/dbraw/zinc/42/98/03/981429803.db2.gz KPBLZBQDSUPJFV-SFHVURJKSA-N -1 0 305.418 3.747 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001595553756 981431898 /nfs/dbraw/zinc/43/18/98/981431898.db2.gz MUKHILAPPCDOCE-GOSISDBHSA-N -1 0 301.386 3.627 20 0 DHADRM CCC[C@@](C)(NC(=O)c1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001595554061 981434666 /nfs/dbraw/zinc/43/46/66/981434666.db2.gz YCUOUJSIDMRSPD-CYBMUJFWSA-N -1 0 322.163 3.506 20 0 DHADRM CC(C)(CC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC000909225254 981437403 /nfs/dbraw/zinc/43/74/03/981437403.db2.gz KRVQHOJAOWDDLL-UHFFFAOYSA-N -1 0 321.442 3.769 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000909283673 981457745 /nfs/dbraw/zinc/45/77/45/981457745.db2.gz ACHUEGPHHBOTPJ-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CCC[C@@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595574816 981493184 /nfs/dbraw/zinc/49/31/84/981493184.db2.gz XRTRYMRUBDXCSL-SKDRFNHKSA-N -1 0 318.291 3.968 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000909484278 981506219 /nfs/dbraw/zinc/50/62/19/981506219.db2.gz PGEHWFJVBCEKAC-GFCCVEGCSA-N -1 0 323.458 3.763 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595579680 981509873 /nfs/dbraw/zinc/50/98/73/981509873.db2.gz SLVDBOPRNPBQAT-ZDUSSCGKSA-N -1 0 309.381 3.706 20 0 DHADRM CSc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)o1 ZINC000909509659 981517277 /nfs/dbraw/zinc/51/72/77/981517277.db2.gz ARSQZGBSCBUVRR-UHFFFAOYSA-N -1 0 319.382 3.579 20 0 DHADRM CCC[C@H](C)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595581223 981523056 /nfs/dbraw/zinc/52/30/56/981523056.db2.gz VCIGCKGMLROBEV-VIFPVBQESA-N -1 0 306.387 3.910 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595585996 981528704 /nfs/dbraw/zinc/52/87/04/981528704.db2.gz LESAKWPDKWKLCL-NSHDSACASA-N -1 0 300.358 3.698 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595586154 981529834 /nfs/dbraw/zinc/52/98/34/981529834.db2.gz QGNYBMJEASANLW-HOTGVXAUSA-N -1 0 311.466 3.846 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595586298 981531403 /nfs/dbraw/zinc/53/14/03/981531403.db2.gz VECDSRRLJIZIOD-GFCCVEGCSA-N -1 0 307.390 3.937 20 0 DHADRM Cc1oc2ccccc2c1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909534443 981534738 /nfs/dbraw/zinc/53/47/38/981534738.db2.gz RFGMJWPGWHOCFX-SCLBCKFNSA-N -1 0 315.369 3.505 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595587644 981543483 /nfs/dbraw/zinc/54/34/83/981543483.db2.gz TYMKDULVLFVVMU-CWRNSKLLSA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001595599411 981571857 /nfs/dbraw/zinc/57/18/57/981571857.db2.gz AFWFCVYCHACVQI-CQSZACIVSA-N -1 0 314.385 3.601 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000909693512 981572764 /nfs/dbraw/zinc/57/27/64/981572764.db2.gz IWMBETIUIKLQEG-MNOVXSKESA-N -1 0 319.788 3.781 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC001595600143 981577003 /nfs/dbraw/zinc/57/70/03/981577003.db2.gz LPWYHVVGXNEJAS-CYBMUJFWSA-N -1 0 310.369 3.860 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C ZINC001595600256 981578217 /nfs/dbraw/zinc/57/82/17/981578217.db2.gz LXCUSXOSUSJCBB-ZDUSSCGKSA-N -1 0 310.369 3.860 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC001595600244 981578484 /nfs/dbraw/zinc/57/84/84/981578484.db2.gz LPWYHVVGXNEJAS-ZDUSSCGKSA-N -1 0 310.369 3.860 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000909806285 981633991 /nfs/dbraw/zinc/63/39/91/981633991.db2.gz NDJCFYRHZUNMNB-HOCLYGCPSA-N -1 0 323.392 3.597 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000909806289 981634053 /nfs/dbraw/zinc/63/40/53/981634053.db2.gz NDJCFYRHZUNMNB-ZBFHGGJFSA-N -1 0 323.392 3.597 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001594746702 981634497 /nfs/dbraw/zinc/63/44/97/981634497.db2.gz AGMUNYOCQIUXPZ-CVEARBPZSA-N -1 0 319.445 3.908 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCC=CCCC2)c1 ZINC000909830529 981647983 /nfs/dbraw/zinc/64/79/83/981647983.db2.gz LJKYEBWPEFRLLW-KGLIPLIRSA-N -1 0 301.386 3.950 20 0 DHADRM CCn1cc(Cl)cc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909831136 981648885 /nfs/dbraw/zinc/64/88/85/981648885.db2.gz NKAOWMSPGIAWPP-SNVBAGLBSA-N -1 0 320.776 3.602 20 0 DHADRM CCCC1(CNC(=O)Nc2cc(C(=O)[O-])sc2C)CCC1 ZINC001595617210 981650302 /nfs/dbraw/zinc/65/03/02/981650302.db2.gz UYIUAVDAZSZIAO-UHFFFAOYSA-N -1 0 310.419 3.847 20 0 DHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595620018 981683832 /nfs/dbraw/zinc/68/38/32/981683832.db2.gz UHJCVQJWPDGCPM-XHDPSFHLSA-N -1 0 319.405 3.521 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001595620721 981692302 /nfs/dbraw/zinc/69/23/02/981692302.db2.gz RCQQQCYMCHEEGT-DLBZAZTESA-N -1 0 317.429 3.706 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595621270 981698082 /nfs/dbraw/zinc/69/80/82/981698082.db2.gz FVACMXSCTNIATE-CIDNJEQPSA-N -1 0 324.465 3.536 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595621285 981698148 /nfs/dbraw/zinc/69/81/48/981698148.db2.gz FYEABXGTQDTTIS-ZJUUUORDSA-N -1 0 310.419 3.559 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595621610 981701581 /nfs/dbraw/zinc/70/15/81/981701581.db2.gz LQQGDSCHVUIPJA-ONGXEEELSA-N -1 0 310.781 3.588 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595621915 981704332 /nfs/dbraw/zinc/70/43/32/981704332.db2.gz QMRUFXFROFCKTN-QRHJNKNDSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC001594764620 981709870 /nfs/dbraw/zinc/70/98/70/981709870.db2.gz QIAAGWSTEMDQGT-CJNGLKHVSA-N -1 0 303.402 3.709 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595622488 981710326 /nfs/dbraw/zinc/71/03/26/981710326.db2.gz UIHLXTGMRPIBHC-OLZOCXBDSA-N -1 0 308.349 3.575 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccccc1 ZINC001594767211 981724963 /nfs/dbraw/zinc/72/49/63/981724963.db2.gz FANUHGUQTWFCNV-IXDOHACOSA-N -1 0 315.413 3.709 20 0 DHADRM CCC/C=C/C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595624221 981729681 /nfs/dbraw/zinc/72/96/81/981729681.db2.gz PPSXUBTZTYXFGM-MOEXGYKKSA-N -1 0 309.793 3.502 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C1/CC[C@@H](C)C1)c1ccccc1 ZINC001594768461 981730997 /nfs/dbraw/zinc/73/09/97/981730997.db2.gz YWTUUCQCYOJUNQ-NQFXDVJWSA-N -1 0 301.386 3.629 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C1/CC[C@H](C)C1)c1ccccc1 ZINC001594768464 981731098 /nfs/dbraw/zinc/73/10/98/981731098.db2.gz YWTUUCQCYOJUNQ-VOALJIPYSA-N -1 0 301.386 3.629 20 0 DHADRM CCC1(CC)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000910022618 981736767 /nfs/dbraw/zinc/73/67/67/981736767.db2.gz PCRDGZKZIJAATN-UHFFFAOYSA-N -1 0 321.461 3.840 20 0 DHADRM CCCCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910085309 981755486 /nfs/dbraw/zinc/75/54/86/981755486.db2.gz RYUMCQXJLZEQDK-UHFFFAOYSA-N -1 0 314.179 3.584 20 0 DHADRM CC[C@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC001594776106 981764355 /nfs/dbraw/zinc/76/43/55/981764355.db2.gz RGIXHGUVXVXTKF-ZDUSSCGKSA-N -1 0 322.357 3.822 20 0 DHADRM CCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001595627665 981774878 /nfs/dbraw/zinc/77/48/78/981774878.db2.gz OTDZSLCAGYJJEI-LBPRGKRZSA-N -1 0 304.264 3.565 20 0 DHADRM CCCC[C@@](C)(F)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595630417 981818994 /nfs/dbraw/zinc/81/89/94/981818994.db2.gz FJGBAMDJWCGHFW-RHSMWYFYSA-N -1 0 315.429 3.692 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595630808 981827292 /nfs/dbraw/zinc/82/72/92/981827292.db2.gz QTMHXEBCDXYGCJ-CQSZACIVSA-N -1 0 303.280 3.520 20 0 DHADRM CCCC[C@](C)(F)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595631048 981831807 /nfs/dbraw/zinc/83/18/07/981831807.db2.gz ZORXCGVYMDJNSN-INIZCTEOSA-N -1 0 322.336 3.722 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595631501 981840231 /nfs/dbraw/zinc/84/02/31/981840231.db2.gz RYUBZYKZNZGZRZ-QMMMGPOBSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595632341 981853489 /nfs/dbraw/zinc/85/34/89/981853489.db2.gz FNXDGDBASSQGEU-AWEZNQCLSA-N -1 0 322.449 3.792 20 0 DHADRM CCCC[C@H](CCC)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595633522 981872957 /nfs/dbraw/zinc/87/29/57/981872957.db2.gz MWCMZRAAAPLIBN-HNNXBMFYSA-N -1 0 305.418 3.793 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001594796486 981876306 /nfs/dbraw/zinc/87/63/06/981876306.db2.gz AVJBPLJXKNZEOW-UARSRXHTSA-N -1 0 323.477 3.845 20 0 DHADRM CCCC[C@@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001595634216 981884270 /nfs/dbraw/zinc/88/42/70/981884270.db2.gz AKNXFYGEFZGWPT-YSSOQSIOSA-N -1 0 309.450 3.909 20 0 DHADRM CCCC[C@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001595634215 981884490 /nfs/dbraw/zinc/88/44/90/981884490.db2.gz AKNXFYGEFZGWPT-LOACHALJSA-N -1 0 309.450 3.909 20 0 DHADRM CCCC[C@H](COC)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595634805 981893916 /nfs/dbraw/zinc/89/39/16/981893916.db2.gz WSNRFJWQKCPYDV-CQSZACIVSA-N -1 0 309.406 3.789 20 0 DHADRM CCC(C)(C)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594806148 981912236 /nfs/dbraw/zinc/91/22/36/981912236.db2.gz VDAXNHPFTPNHSB-UHFFFAOYSA-N -1 0 300.358 3.848 20 0 DHADRM CCC(C)(C)c1ccc(CNc2nc(C)cc(C(=O)[O-])n2)cc1 ZINC001594814442 981938008 /nfs/dbraw/zinc/93/80/08/981938008.db2.gz NZLWCYFSGUPPRJ-UHFFFAOYSA-N -1 0 313.401 3.783 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001594815595 981943194 /nfs/dbraw/zinc/94/31/94/981943194.db2.gz FNHQIFHJQXQGNK-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001594816289 981949968 /nfs/dbraw/zinc/94/99/68/981949968.db2.gz CQOCRSTVVPPXQF-DLENHJPASA-N -1 0 317.429 3.757 20 0 DHADRM CCCC[C@@H](N[C@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638767 981950454 /nfs/dbraw/zinc/95/04/54/981950454.db2.gz DYXVPHFDZSRAFX-PBHICJAKSA-N -1 0 317.385 3.611 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC001594817682 981957774 /nfs/dbraw/zinc/95/77/74/981957774.db2.gz STJZPEAHCVDGGE-IBYPIGCZSA-N -1 0 309.450 3.909 20 0 DHADRM Cc1ccc(C(=O)N2CCc3ccsc3[C@@H]2C)cc1C(=O)[O-] ZINC000910504695 981970162 /nfs/dbraw/zinc/97/01/62/981970162.db2.gz SKUAAXVYJVBISX-NSHDSACASA-N -1 0 315.394 3.514 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001594821480 981971449 /nfs/dbraw/zinc/97/14/49/981971449.db2.gz BXUWUNLBMJNUQY-SFHVURJKSA-N -1 0 301.386 3.627 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595652544 982035205 /nfs/dbraw/zinc/03/52/05/982035205.db2.gz VGMVIHJWCGZPEK-VNHYZAJKSA-N -1 0 323.458 3.629 20 0 DHADRM CC(C)c1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000910646351 982038684 /nfs/dbraw/zinc/03/86/84/982038684.db2.gz QCAOQZBJMHLADI-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CCCC[C@@H](SCC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-] ZINC001595654445 982040765 /nfs/dbraw/zinc/04/07/65/982040765.db2.gz CEHVIVKKJKUAKR-CQSZACIVSA-N -1 0 309.431 3.619 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001595656578 982054436 /nfs/dbraw/zinc/05/44/36/982054436.db2.gz AKDADYLPQLBQEU-UHFFFAOYSA-N -1 0 310.781 3.883 20 0 DHADRM Cc1cccc([C@H]([N-]S(=O)(=O)CC(C)(C)C)C(F)(F)F)c1 ZINC000443041418 1014796077 /nfs/dbraw/zinc/79/60/77/1014796077.db2.gz LJKWDQRVSGMBKZ-LBPRGKRZSA-N -1 0 323.380 3.564 20 0 DHADRM CC(C)c1sc(NC(=O)C=C(C2CC2)C2CC2)nc1C(=O)[O-] ZINC000910699817 982069494 /nfs/dbraw/zinc/06/94/94/982069494.db2.gz RLXDXBLNHBOJSL-UHFFFAOYSA-N -1 0 320.414 3.650 20 0 DHADRM CCCCC1CCC(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001595661457 982075991 /nfs/dbraw/zinc/07/59/91/982075991.db2.gz UKGWZPAIPYOLJH-AVVWSFFYSA-N -1 0 309.450 3.600 20 0 DHADRM CCCCC1CCC(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC001595661766 982077655 /nfs/dbraw/zinc/07/76/55/982077655.db2.gz XRKYXYCAVOPNSH-KNIAUWFNSA-N -1 0 324.465 3.678 20 0 DHADRM CCCCCC(C)(C)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595662682 982079843 /nfs/dbraw/zinc/07/98/43/982079843.db2.gz IMFHACZTVHNWGU-UHFFFAOYSA-N -1 0 305.418 3.536 20 0 DHADRM CCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723391 982086277 /nfs/dbraw/zinc/08/62/77/982086277.db2.gz YHHLSBYKTMTNRR-ZYHUDNBSSA-N -1 0 324.446 3.640 20 0 DHADRM CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910724740 982088675 /nfs/dbraw/zinc/08/86/75/982088675.db2.gz SYLSYLDHIAHTGQ-ZWLSGLHFSA-N -1 0 322.430 3.560 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733725 982095007 /nfs/dbraw/zinc/09/50/07/982095007.db2.gz QPLWXGLULRICBS-SECBINFHSA-N -1 0 310.419 3.730 20 0 DHADRM O=C(CCC1CCCC1)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733405 982095129 /nfs/dbraw/zinc/09/51/29/982095129.db2.gz CNVPZIQFHJSKKA-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595665980 982096185 /nfs/dbraw/zinc/09/61/85/982096185.db2.gz AJYIBJHICXMTDX-SJCJKPOMSA-N -1 0 323.408 3.983 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001595666237 982098266 /nfs/dbraw/zinc/09/82/66/982098266.db2.gz GNGQPGFCNHFWDN-APWZRJJASA-N -1 0 319.445 3.968 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001595666636 982105577 /nfs/dbraw/zinc/10/55/77/982105577.db2.gz PUSCSRVNUPXLQD-RHSMWYFYSA-N -1 0 309.450 3.696 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594861945 982151966 /nfs/dbraw/zinc/15/19/66/982151966.db2.gz QRXNZFIMOBZMBA-WFTPILKQSA-N -1 0 323.820 3.588 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594861944 982152029 /nfs/dbraw/zinc/15/20/29/982152029.db2.gz QRXNZFIMOBZMBA-FMQWLBJXSA-N -1 0 323.820 3.588 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594862246 982153991 /nfs/dbraw/zinc/15/39/91/982153991.db2.gz VHQMEJPXYYLHCO-MUSGIIIZSA-N -1 0 311.381 3.828 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594862248 982154096 /nfs/dbraw/zinc/15/40/96/982154096.db2.gz VHQMEJPXYYLHCO-UJGDBWEASA-N -1 0 311.381 3.828 20 0 DHADRM CCCCC[C@H](NC(=O)c1cccc2ccsc21)C(=O)[O-] ZINC001595682008 982165908 /nfs/dbraw/zinc/16/59/08/982165908.db2.gz ZQZYWCXWMHEVBJ-ZDUSSCGKSA-N -1 0 305.399 3.665 20 0 DHADRM CC[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594865326 982165887 /nfs/dbraw/zinc/16/58/87/982165887.db2.gz TYPPABQRNLJZDW-PELKAZGASA-N -1 0 318.200 3.624 20 0 DHADRM CSc1ccc(NC(=O)/C=C/C2CCCC2)cc1C(=O)[O-] ZINC000910946916 982171690 /nfs/dbraw/zinc/17/16/90/982171690.db2.gz VTPIOXNCYDIEOT-RMKNXTFCSA-N -1 0 305.399 3.792 20 0 DHADRM CCCCC[C@H](Nc1cnc2cc(Cl)ccc2n1)C(=O)[O-] ZINC001595686528 982175463 /nfs/dbraw/zinc/17/54/63/982175463.db2.gz CFKDXBUJSOIMPL-LBPRGKRZSA-N -1 0 307.781 3.729 20 0 DHADRM CCCCC[C@@H](Nc1nc(CC)nc2sccc21)C(=O)[O-] ZINC001595686741 982176227 /nfs/dbraw/zinc/17/62/27/982176227.db2.gz HRDNKEDMXQYUCN-LLVKDONJSA-N -1 0 307.419 3.699 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCc1cccs1 ZINC000910961872 982179938 /nfs/dbraw/zinc/17/99/38/982179938.db2.gz MXHGZOFZVPWCBE-UHFFFAOYSA-N -1 0 317.410 3.970 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001594872770 982189425 /nfs/dbraw/zinc/18/94/25/982189425.db2.gz FQHPNCVHBKSGJQ-DGCLKSJQSA-N -1 0 303.402 3.655 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001594872772 982189661 /nfs/dbraw/zinc/18/96/61/982189661.db2.gz FQHPNCVHBKSGJQ-WCQYABFASA-N -1 0 303.402 3.655 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001595694964 982214938 /nfs/dbraw/zinc/21/49/38/982214938.db2.gz LXWPTUFAKOFDFK-WMLDXEAASA-N -1 0 317.429 3.944 20 0 DHADRM CCCCCC[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595695367 982218607 /nfs/dbraw/zinc/21/86/07/982218607.db2.gz ULDBQHDUGBMINU-GDBMZVCRSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595695617 982220396 /nfs/dbraw/zinc/22/03/96/982220396.db2.gz ZGTVMNUUYQMKAF-JTQLQIEISA-N -1 0 312.797 3.978 20 0 DHADRM C[C@H]1CCCC[C@@H]1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835238 1014817369 /nfs/dbraw/zinc/81/73/69/1014817369.db2.gz FRBGRWBSIRJYOL-WDEREUQCSA-N -1 0 321.471 3.843 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594881580 982241388 /nfs/dbraw/zinc/24/13/88/982241388.db2.gz SGKLNYDQYKHNDJ-MQIPJXDCSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594881676 982242375 /nfs/dbraw/zinc/24/23/75/982242375.db2.gz SVCFAZKQIFAAIT-UWVGGRQHSA-N -1 0 309.431 3.946 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595697464 982242515 /nfs/dbraw/zinc/24/25/15/982242515.db2.gz KGLZTPVSWINQSD-RKVPGOIHSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCCC[C@H](C)CC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595698649 982252912 /nfs/dbraw/zinc/25/29/12/982252912.db2.gz TYKKANVPBKMOIN-LBPRGKRZSA-N -1 0 309.406 3.899 20 0 DHADRM CCCCCC[C@H](C)NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC001595699573 982259283 /nfs/dbraw/zinc/25/92/83/982259283.db2.gz ZRXZCOGGBWTOOZ-AWEZNQCLSA-N -1 0 321.417 3.547 20 0 DHADRM CN(C(=O)c1csc(C(=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC000911201321 982281561 /nfs/dbraw/zinc/28/15/61/982281561.db2.gz ZRQQDUPNZYQAJE-UHFFFAOYSA-N -1 0 324.446 3.518 20 0 DHADRM CCCCCCO[C@@H](C)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595710106 982293663 /nfs/dbraw/zinc/29/36/63/982293663.db2.gz CKWLWDPQCVSQLJ-NSHDSACASA-N -1 0 313.419 3.679 20 0 DHADRM CCC[C@H](CC)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911313399 982333714 /nfs/dbraw/zinc/33/37/14/982333714.db2.gz HKCOAVVWZSBNIV-RYUDHWBXSA-N -1 0 309.431 3.560 20 0 DHADRM CCCCCc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001595728689 982361566 /nfs/dbraw/zinc/36/15/66/982361566.db2.gz XLMCDOXYMJPBRM-UHFFFAOYSA-N -1 0 318.398 3.826 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1 ZINC001595732139 982367346 /nfs/dbraw/zinc/36/73/46/982367346.db2.gz PHTPBUQPPCGTDC-SHTZXODSSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCN(C(=O)c1ccccc1CCC(=O)[O-])[C@H](C)CC ZINC001595735910 982380769 /nfs/dbraw/zinc/38/07/69/982380769.db2.gz RFXDRCMBYCBLKA-CQSZACIVSA-N -1 0 305.418 3.745 20 0 DHADRM CCS[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)C ZINC000911386719 982409751 /nfs/dbraw/zinc/40/97/51/982409751.db2.gz HKACUHHFZRLOKG-AWEZNQCLSA-N -1 0 320.414 3.582 20 0 DHADRM CCCCN(Cc1ccccc1Cl)c1cc(C(=O)[O-])ncn1 ZINC001595748359 982418298 /nfs/dbraw/zinc/41/82/98/982418298.db2.gz XNUZRIQYPROMMD-UHFFFAOYSA-N -1 0 319.792 3.635 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594913309 982429590 /nfs/dbraw/zinc/42/95/90/982429590.db2.gz ZAILMDJURJWMNP-GUYCJALGSA-N -1 0 317.429 3.963 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911452483 982438091 /nfs/dbraw/zinc/43/80/91/982438091.db2.gz NSYWNOVVBZUZAS-RISCZKNCSA-N -1 0 309.793 3.504 20 0 DHADRM CCCCNc1nc2ccccc2n1Cc1occc1C(=O)[O-] ZINC001595763217 982470253 /nfs/dbraw/zinc/47/02/53/982470253.db2.gz DQRNYLNDHWITDI-UHFFFAOYSA-N -1 0 313.357 3.588 20 0 DHADRM CCCCO[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1(C)C ZINC001595770827 982513272 /nfs/dbraw/zinc/51/32/72/982513272.db2.gz OEPIIXVOWLSMHJ-HZPDHXFCSA-N -1 0 321.417 3.789 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594927992 982530545 /nfs/dbraw/zinc/53/05/45/982530545.db2.gz BGIAOPIRCQWUBB-GJZGRUSLSA-N -1 0 324.465 3.632 20 0 DHADRM CCCCOc1ccc(CNc2ccc(C(=O)[O-])nc2)cc1 ZINC001595775519 982537518 /nfs/dbraw/zinc/53/75/18/982537518.db2.gz IFRDUTNJELZTIR-UHFFFAOYSA-N -1 0 300.358 3.571 20 0 DHADRM CC[C@H](C)[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001594929285 982546909 /nfs/dbraw/zinc/54/69/09/982546909.db2.gz RNSFIOSTIXXNIU-UFBFGSQYSA-N -1 0 312.822 3.818 20 0 DHADRM CC[C@H](C)C[C@H](CC)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594934428 982578557 /nfs/dbraw/zinc/57/85/57/982578557.db2.gz IFUPBAQCJGWRLF-JSGCOSHPSA-N -1 0 303.406 3.748 20 0 DHADRM CCCCSCCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001595791538 982589676 /nfs/dbraw/zinc/58/96/76/982589676.db2.gz ABHPEPGGELQCRG-UHFFFAOYSA-N -1 0 301.433 3.617 20 0 DHADRM CCCCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001595793137 982595036 /nfs/dbraw/zinc/59/50/36/982595036.db2.gz FTZHHFDMAXYGOZ-QUWSVYMGSA-N -1 0 317.429 3.793 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001594938048 982605095 /nfs/dbraw/zinc/60/50/95/982605095.db2.gz DNTWZCITZXUEQN-DXCHVLGVSA-N -1 0 317.429 3.576 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C\c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001594938688 982608571 /nfs/dbraw/zinc/60/85/71/982608571.db2.gz OKHZWHLLDDOIFF-GBDGNLGCSA-N -1 0 317.429 3.631 20 0 DHADRM CCCCc1noc([C@H](C)Oc2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001595802230 982617753 /nfs/dbraw/zinc/61/77/53/982617753.db2.gz HJWXZFVXMZLLFG-JTQLQIEISA-N -1 0 322.336 3.698 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001594943062 982621651 /nfs/dbraw/zinc/62/16/51/982621651.db2.gz UKTCBABHCAMZLG-SUMWQHHRSA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001594944916 982629104 /nfs/dbraw/zinc/62/91/04/982629104.db2.gz KWQMVLZPEOGXMA-ONGXEEELSA-N -1 0 323.776 3.705 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC001594945709 982634675 /nfs/dbraw/zinc/63/46/75/982634675.db2.gz GILSPMUJBIPLTC-BLLLJJGKSA-N -1 0 315.369 3.566 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594946937 982645147 /nfs/dbraw/zinc/64/51/47/982645147.db2.gz UTWBEYNEUHRPKY-BBRMVZONSA-N -1 0 305.418 3.504 20 0 DHADRM CC[C@@H](C)CCC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001594952484 982669907 /nfs/dbraw/zinc/66/99/07/982669907.db2.gz JDSGHWLUZZUCEO-OAHLLOKOSA-N -1 0 305.418 3.706 20 0 DHADRM CCCN(C(=O)CCc1ccc(CC(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595817382 982680839 /nfs/dbraw/zinc/68/08/39/982680839.db2.gz VETOHFKGDLJGIG-OAHLLOKOSA-N -1 0 319.445 3.529 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001594958599 982699351 /nfs/dbraw/zinc/69/93/51/982699351.db2.gz DKOCMJBQHBXWNJ-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CCCN(C)c1ccccc1NCc1cc(C(=O)[O-])cs1 ZINC001595840464 982760872 /nfs/dbraw/zinc/76/08/72/982760872.db2.gz YJYOGJAPIKMVTH-UHFFFAOYSA-N -1 0 304.415 3.905 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])n(C)c1)c1ccc(CC)cc1 ZINC001595885922 982912109 /nfs/dbraw/zinc/91/21/09/982912109.db2.gz MLEAPCKIYGXZAA-UHFFFAOYSA-N -1 0 300.402 3.702 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccc(F)cc2n1 ZINC001116301160 982927237 /nfs/dbraw/zinc/92/72/37/982927237.db2.gz UJVBHNQYDMETQD-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001116329718 982929159 /nfs/dbraw/zinc/92/91/59/982929159.db2.gz IVPZZFCJPIHCNO-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001595010211 982939225 /nfs/dbraw/zinc/93/92/25/982939225.db2.gz ONGHOKVYPRIJBG-IAQYHMDHSA-N -1 0 317.410 3.817 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC001595014986 982957977 /nfs/dbraw/zinc/95/79/77/982957977.db2.gz ZIKPXUPBRCNMQB-NSHDSACASA-N -1 0 316.357 3.813 20 0 DHADRM CC[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C)cc1 ZINC001118808456 982963605 /nfs/dbraw/zinc/96/36/05/982963605.db2.gz UFHPDHIYDYNJGJ-CQSZACIVSA-N -1 0 305.418 3.590 20 0 DHADRM CCCSc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)n1 ZINC001595987374 983238871 /nfs/dbraw/zinc/23/88/71/983238871.db2.gz GFOAXVSDYPWKEO-FRRDWIJNSA-N -1 0 308.447 3.885 20 0 DHADRM CCCC(=CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)CCC ZINC000909504355 1014927239 /nfs/dbraw/zinc/92/72/39/1014927239.db2.gz BZGFAZCUSUDTKI-LLVKDONJSA-N -1 0 324.446 3.854 20 0 DHADRM CCCc1c(C(=O)Nc2cc(F)cc(F)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045599 983334782 /nfs/dbraw/zinc/33/47/82/983334782.db2.gz UJTRYMXXDGGWJR-UHFFFAOYSA-N -1 0 322.311 3.504 20 0 DHADRM CCCc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])ccc1Cl ZINC001596052627 983353099 /nfs/dbraw/zinc/35/30/99/983353099.db2.gz FXNHFPDQNORUJC-OAHLLOKOSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)ccc1Cl ZINC001596052609 983353166 /nfs/dbraw/zinc/35/31/66/983353166.db2.gz FADVHKBCNPAYLB-UHFFFAOYSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001596060739 983370000 /nfs/dbraw/zinc/37/00/00/983370000.db2.gz RXUYTIWXRLJLGT-KRWDZBQOSA-N -1 0 317.429 3.650 20 0 DHADRM CCCc1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001596062243 983371690 /nfs/dbraw/zinc/37/16/90/983371690.db2.gz CEYLZAWKOVTMJN-UHFFFAOYSA-N -1 0 318.398 3.609 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)C(=O)[O-] ZINC001596068512 983381621 /nfs/dbraw/zinc/38/16/21/983381621.db2.gz HXFJMDNPXKUOHV-UHFFFAOYSA-N -1 0 320.433 3.995 20 0 DHADRM CCCc1ccccc1OC(=O)CCc1ccccc1C(=O)[O-] ZINC001596070453 983384845 /nfs/dbraw/zinc/38/48/45/983384845.db2.gz DQSQCMNCOCNQHK-UHFFFAOYSA-N -1 0 312.365 3.876 20 0 DHADRM CCCc1nc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])co1 ZINC001596078009 983395451 /nfs/dbraw/zinc/39/54/51/983395451.db2.gz WGPXFPJSNWAZHJ-UHFFFAOYSA-N -1 0 324.336 3.731 20 0 DHADRM CCCc1nc(C)c(COc2cc(C(=O)[O-])cc(F)c2C)o1 ZINC001596083316 983404976 /nfs/dbraw/zinc/40/49/76/983404976.db2.gz LFZHEPDVHVFABU-UHFFFAOYSA-N -1 0 307.321 3.660 20 0 DHADRM CCCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001596111275 983438603 /nfs/dbraw/zinc/43/86/03/983438603.db2.gz NUYJRLHJDCKJOG-ZDUSSCGKSA-N -1 0 319.430 3.619 20 0 DHADRM CCN(C(=O)CC(C1CC1)C1CC1)c1ccccc1C(=O)[O-] ZINC001596133072 983480921 /nfs/dbraw/zinc/48/09/21/983480921.db2.gz CTUXAXAJVNWRSV-UHFFFAOYSA-N -1 0 301.386 3.564 20 0 DHADRM CCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596133070 983480976 /nfs/dbraw/zinc/48/09/76/983480976.db2.gz CPHYKCMNBRRWCE-BQYQJAHWSA-N -1 0 317.429 3.925 20 0 DHADRM CCN(C(=O)C[C@H]1C[C@H](C)c2c1cccc2C)C(C)(C)C(=O)[O-] ZINC001596133269 983481685 /nfs/dbraw/zinc/48/16/85/983481685.db2.gz ICUSKIAXVVQUKF-UONOGXRCSA-N -1 0 317.429 3.688 20 0 DHADRM CCN(C(=O)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001596134020 983482785 /nfs/dbraw/zinc/48/27/85/983482785.db2.gz QBGODSZLZOIAPO-UHFFFAOYSA-N -1 0 315.772 3.723 20 0 DHADRM CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccccc1C(=O)[O-] ZINC001596137938 983488419 /nfs/dbraw/zinc/48/84/19/983488419.db2.gz PTQHSABYXWRMFM-CABCVRRESA-N -1 0 301.386 3.564 20 0 DHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(C)c1C ZINC001596138553 983489171 /nfs/dbraw/zinc/48/91/71/983489171.db2.gz UJPNLGCKIQOUIH-LUAWRHEFSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC001596161140 983525002 /nfs/dbraw/zinc/52/50/02/983525002.db2.gz PSZZMFOPMVGDCU-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1cc(C)ccc1C ZINC001596165635 983530407 /nfs/dbraw/zinc/53/04/07/983530407.db2.gz XZRUKKLBOMOQAV-UHFFFAOYSA-N -1 0 315.344 3.807 20 0 DHADRM CCN(C(=O)c1coc(C(F)F)c1)c1ccccc1C(=O)[O-] ZINC001596172895 983538288 /nfs/dbraw/zinc/53/82/88/983538288.db2.gz JZUIUQLXEHKONX-UHFFFAOYSA-N -1 0 309.268 3.582 20 0 DHADRM CCN(CC)C(=S)S[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596253854 983659378 /nfs/dbraw/zinc/65/93/78/983659378.db2.gz NQMUPVYLLJIRFM-NSHDSACASA-N -1 0 317.863 3.826 20 0 DHADRM CCN(CCC1CC1)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001596320684 983751114 /nfs/dbraw/zinc/75/11/14/983751114.db2.gz HKYSZZNZZIIDAP-UHFFFAOYSA-N -1 0 319.430 3.633 20 0 DHADRM CCN(Cc1ccc(C)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001596357929 983830747 /nfs/dbraw/zinc/83/07/47/983830747.db2.gz SLNIDMUCNSASFT-UHFFFAOYSA-N -1 0 305.324 3.998 20 0 DHADRM C=C/C(C)=C/CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588684288 983857997 /nfs/dbraw/zinc/85/79/97/983857997.db2.gz OKNHRCNSKZXFGL-QKAYDNCFSA-N -1 0 323.392 3.994 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001596371430 983870654 /nfs/dbraw/zinc/87/06/54/983870654.db2.gz DQRTYMFWKGYQSV-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM CCOC(=O)[C@H](CC)S[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596528559 984350084 /nfs/dbraw/zinc/35/00/84/984350084.db2.gz WBHYMFSABJLXMO-NWDGAFQWSA-N -1 0 316.806 3.541 20 0 DHADRM C=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001588920141 984576206 /nfs/dbraw/zinc/57/62/06/984576206.db2.gz VPEXYHISCUYSMV-UHFFFAOYSA-N -1 0 318.332 3.828 20 0 DHADRM C/C(=C\C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1Cl ZINC001588942889 984638881 /nfs/dbraw/zinc/63/88/81/984638881.db2.gz SINOYQSJDGTNBE-PVUWTNIMSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@H](CC(F)(F)F)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001599890102 984683918 /nfs/dbraw/zinc/68/39/18/984683918.db2.gz LGRHZCKHZKDGOK-ZCFIWIBFSA-N -1 0 310.655 3.532 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)s1 ZINC000581618782 1015056145 /nfs/dbraw/zinc/05/61/45/1015056145.db2.gz OLLBVLGQXWGJQL-UHFFFAOYSA-N -1 0 316.473 3.746 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nnc(-c2ccc(Cl)s2)o1 ZINC001588953043 984691121 /nfs/dbraw/zinc/69/11/21/984691121.db2.gz XVRZIFBTPPNNGL-XQRVVYSFSA-N -1 0 316.791 3.575 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001599891494 984699817 /nfs/dbraw/zinc/69/98/17/984699817.db2.gz RSCAARKLEJLRQR-IWCQGFGOSA-N -1 0 321.461 3.837 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001588956349 984703369 /nfs/dbraw/zinc/70/33/69/984703369.db2.gz LYUMCMOHGORWRB-YVIISROCSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001588956627 984706526 /nfs/dbraw/zinc/70/65/26/984706526.db2.gz VTJILQIMZNSXLZ-WOVYXRCPSA-N -1 0 321.461 3.909 20 0 DHADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001599900709 984817868 /nfs/dbraw/zinc/81/78/68/984817868.db2.gz QZLGXAHNXBIUSV-PCYYEKQGSA-N -1 0 319.744 3.522 20 0 DHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)c1cc(Cl)ccc1Cl ZINC001599902978 984875977 /nfs/dbraw/zinc/87/59/77/984875977.db2.gz VQWYKXFJZNKSGK-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001599903833 984895862 /nfs/dbraw/zinc/89/58/62/984895862.db2.gz LPJWJZAVXTZBSI-LPEHRKFASA-N -1 0 316.806 3.897 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1F ZINC001599904530 984905571 /nfs/dbraw/zinc/90/55/71/984905571.db2.gz RJXXMYMPBGCWKY-AEJSXWLSSA-N -1 0 314.740 3.584 20 0 DHADRM CCOC(=O)c1cccc(SC[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001596730754 984996476 /nfs/dbraw/zinc/99/64/76/984996476.db2.gz PKYHABIJCDBEGC-DZGCQCFKSA-N -1 0 322.426 3.846 20 0 DHADRM CCOC(=O)c1cccc(SC[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001596730757 984996631 /nfs/dbraw/zinc/99/66/31/984996631.db2.gz PKYHABIJCDBEGC-ZFWWWQNUSA-N -1 0 322.426 3.846 20 0 DHADRM CC(=O)[C@H](C)S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589023798 985026224 /nfs/dbraw/zinc/02/62/24/985026224.db2.gz WEMGEDLYUORTMT-KWQFWETISA-N -1 0 306.305 3.542 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)ccc1F ZINC000656738214 1015109645 /nfs/dbraw/zinc/10/96/45/1015109645.db2.gz GZHFOLLBJYUAAG-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCCCCC(=O)[O-] ZINC000656766543 1015137859 /nfs/dbraw/zinc/13/78/59/1015137859.db2.gz XLILYANGAZKSQS-MRXNPFEDSA-N -1 0 323.408 3.623 20 0 DHADRM CCO[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001596852644 985588234 /nfs/dbraw/zinc/58/82/34/985588234.db2.gz JOGWUZAZXLHHMF-HUUCEWRRSA-N -1 0 321.417 3.932 20 0 DHADRM Cc1[nH]c(C(=O)CSC[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c1C(=O)[O-] ZINC001599949867 985589443 /nfs/dbraw/zinc/58/94/43/985589443.db2.gz YWQRZGODQBUKNZ-FRRDWIJNSA-N -1 0 321.442 3.682 20 0 DHADRM Cc1[nH]c(C(=O)N(CC2CCCCC2)C2CC2)c(C)c1C(=O)[O-] ZINC001599951828 985620586 /nfs/dbraw/zinc/62/05/86/985620586.db2.gz YNNFAMAJCOVGBC-UHFFFAOYSA-N -1 0 318.417 3.515 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])[C@H]1c1ccccc1 ZINC001594494284 985624369 /nfs/dbraw/zinc/62/43/69/985624369.db2.gz OGVAHCGUXHHFSD-AUUYWEPGSA-N -1 0 323.392 3.537 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@H](C)CCCC(F)(F)F ZINC001599958298 985727464 /nfs/dbraw/zinc/72/74/64/985727464.db2.gz YAXYWPUMKCEJEQ-SSDOTTSWSA-N -1 0 321.295 3.608 20 0 DHADRM Cc1[nH]c(CN2C[C@@H](C)CSc3ccccc32)cc1C(=O)[O-] ZINC001599962366 985811543 /nfs/dbraw/zinc/81/15/43/985811543.db2.gz OHNSGGZCXUBTAQ-LLVKDONJSA-N -1 0 316.426 3.770 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OCc1cc(C(=O)[O-])c(C)o1 ZINC001589267968 985951324 /nfs/dbraw/zinc/95/13/24/985951324.db2.gz MAUBJXWOWQLEJI-UHFFFAOYSA-N -1 0 308.717 3.721 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC001589277176 985992715 /nfs/dbraw/zinc/99/27/15/985992715.db2.gz GDQCGJJGEYSATK-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1C ZINC001589277254 985993943 /nfs/dbraw/zinc/99/39/43/985993943.db2.gz JOYCARYGZJPWRZ-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CCC1(CC)CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000581675978 1015199950 /nfs/dbraw/zinc/19/99/50/1015199950.db2.gz JTFRGZFKORSYTB-UHFFFAOYSA-N -1 0 301.308 3.673 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)C(C)(C)C ZINC001589346250 986284606 /nfs/dbraw/zinc/28/46/06/986284606.db2.gz NIOGPZOWHZXTQY-OUCADQQQSA-N -1 0 303.402 3.520 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC1(C)CCCC1 ZINC001597015831 986371616 /nfs/dbraw/zinc/37/16/16/986371616.db2.gz IVDBWSLSKADTRZ-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)ccc1C ZINC001597021838 986414613 /nfs/dbraw/zinc/41/46/13/986414613.db2.gz CFQBOYWJHQMKNX-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccoc1C(C)C ZINC001597025161 986430021 /nfs/dbraw/zinc/43/00/21/986430021.db2.gz GQHAKAMDPXNJDJ-UHFFFAOYSA-N -1 0 317.341 3.752 20 0 DHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1cc2ccccc2o1 ZINC001589381832 986467006 /nfs/dbraw/zinc/46/70/06/986467006.db2.gz SWKWBNJOFGWUPN-XHDPSFHLSA-N -1 0 317.385 3.542 20 0 DHADRM CCOc1cc(NCc2ccc(C(=O)[O-])c(F)c2)ccc1OC ZINC001597043472 986500446 /nfs/dbraw/zinc/50/04/46/986500446.db2.gz VOAFWAZIQSSLNN-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM C[C@H]1COC2(CCCC2)CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594594035 986503993 /nfs/dbraw/zinc/50/39/93/986503993.db2.gz YAQOOSGXUDFILM-LBPRGKRZSA-N -1 0 323.820 3.572 20 0 DHADRM C[C@@H]1CSC(SCc2c(Cl)cccc2C(=O)[O-])=N1 ZINC001594609630 986597352 /nfs/dbraw/zinc/59/73/52/986597352.db2.gz IQNDKABFQFDCGE-SSDOTTSWSA-N -1 0 301.820 3.763 20 0 DHADRM C[C@H]1COc2ccccc2N1Cc1cccc(C(=O)[O-])c1Cl ZINC001594610551 986600433 /nfs/dbraw/zinc/60/04/33/986600433.db2.gz QQDXWEDQXRSAHH-NSHDSACASA-N -1 0 317.772 3.826 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594614972 986630016 /nfs/dbraw/zinc/63/00/16/986630016.db2.gz KHSFFRHYUYLBHG-IJLUTSLNSA-N -1 0 321.804 3.509 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594617162 986637944 /nfs/dbraw/zinc/63/79/44/986637944.db2.gz ZBFNESXPXSNIQJ-DDTOSNHZSA-N -1 0 321.804 3.509 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])C1CC1 ZINC001589429758 986711255 /nfs/dbraw/zinc/71/12/55/986711255.db2.gz PNZBORGWOLYXRK-ZCFIWIBFSA-N -1 0 302.157 3.676 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC001589431799 986733378 /nfs/dbraw/zinc/73/33/78/986733378.db2.gz OPVVECZPAJICRT-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM CCOc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C(=O)[O-])c1F ZINC001597113452 986787179 /nfs/dbraw/zinc/78/71/79/986787179.db2.gz UGJMLHQGUMKDAH-QGHHPUGFSA-N -1 0 323.364 3.543 20 0 DHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589440587 986787667 /nfs/dbraw/zinc/78/76/67/986787667.db2.gz ZKGOIDLXYYBNBM-LBPRGKRZSA-N -1 0 322.364 3.619 20 0 DHADRM C[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccco1 ZINC001589445643 986814228 /nfs/dbraw/zinc/81/42/28/986814228.db2.gz UPUHTESUEVRTFW-VIFPVBQESA-N -1 0 315.350 3.935 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)nc1C ZINC001597122604 986818689 /nfs/dbraw/zinc/81/86/89/986818689.db2.gz DVPGOIWONZOQTO-UHFFFAOYSA-N -1 0 320.776 3.752 20 0 DHADRM CCOc1ccc(NCc2cc(C(=O)[O-])co2)c2ncccc12 ZINC001597123093 986822606 /nfs/dbraw/zinc/82/26/06/986822606.db2.gz KSAQEKUFEJSZCQ-UHFFFAOYSA-N -1 0 312.325 3.537 20 0 DHADRM CCOc1ccc(SCC(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC001597137700 986879088 /nfs/dbraw/zinc/87/90/88/986879088.db2.gz VGKCDXYGYOIVMR-UHFFFAOYSA-N -1 0 310.415 3.638 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC001589467871 986926404 /nfs/dbraw/zinc/92/64/04/986926404.db2.gz AEVQJYUVGACZFB-JOYOIKCWSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H]1Sc2ccccc2N(Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC001594665741 986961086 /nfs/dbraw/zinc/96/10/86/986961086.db2.gz KXDKLYMXRVATGY-NWDGAFQWSA-N -1 0 314.410 3.669 20 0 DHADRM C/C=C(/C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594676739 987008786 /nfs/dbraw/zinc/00/87/86/987008786.db2.gz DJSHBROXJPPYLD-KGHNQEBZSA-N -1 0 303.141 3.629 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)CC ZINC001594677812 987018512 /nfs/dbraw/zinc/01/85/12/987018512.db2.gz VFQAIIWFKZQIJX-NLUDSBNQSA-N -1 0 319.376 3.544 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001594686570 987067014 /nfs/dbraw/zinc/06/70/14/987067014.db2.gz YRKATJKUTXNNBA-IBUXWKBASA-N -1 0 302.374 3.595 20 0 DHADRM CC/C(=C/C(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001594691357 987089509 /nfs/dbraw/zinc/08/95/09/987089509.db2.gz RQVNGCXCOOGNTJ-KUGGDMIFSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC(F)(F)C2)cc1 ZINC001589504023 987111373 /nfs/dbraw/zinc/11/13/73/987111373.db2.gz JJKKLIIXXVYNKY-WDEREUQCSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC3(CCC3)C[C@@H]2C)cc1 ZINC001589510773 987136550 /nfs/dbraw/zinc/13/65/50/987136550.db2.gz WBHIOPXXVRHAIK-QWHCGFSZSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC001589513963 987161336 /nfs/dbraw/zinc/16/13/36/987161336.db2.gz YVRNEKQXGCPFMO-DOMZBBRYSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@H](C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC001589540610 987245874 /nfs/dbraw/zinc/24/58/74/987245874.db2.gz MROFMIFPGPCGSN-ZANVPECISA-N -1 0 314.328 3.501 20 0 DHADRM CCSCc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597264869 987292208 /nfs/dbraw/zinc/29/22/08/987292208.db2.gz AUVVMVCNUCSEJH-KBPBESRZSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1ccccc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001597265422 987296653 /nfs/dbraw/zinc/29/66/53/987296653.db2.gz URYWPTQWRJJOLJ-CQSZACIVSA-N -1 0 323.458 3.559 20 0 DHADRM CCSCc1ccnc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC001597267197 987301042 /nfs/dbraw/zinc/30/10/42/987301042.db2.gz HEZKTUQXGXONQF-FPMFFAJLSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001597277249 987334180 /nfs/dbraw/zinc/33/41/80/987334180.db2.gz KUHRDCIILOGOEN-CLFYSBASSA-N -1 0 317.366 3.742 20 0 DHADRM CCSc1cccc(NCc2ccccc2OCC(=O)[O-])c1 ZINC001597277488 987336080 /nfs/dbraw/zinc/33/60/80/987336080.db2.gz RIXBIISGVZTTPZ-UHFFFAOYSA-N -1 0 317.410 3.874 20 0 DHADRM CCSc1ccccc1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001597279355 987341491 /nfs/dbraw/zinc/34/14/91/987341491.db2.gz GAEICKWBYKMMOP-UHFFFAOYSA-N -1 0 320.414 3.510 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001597338982 987479095 /nfs/dbraw/zinc/47/90/95/987479095.db2.gz YQKWWLJHSCDRIV-LZWOXQAQSA-N -1 0 321.392 3.592 20 0 DHADRM CC[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1F ZINC001597341826 987479241 /nfs/dbraw/zinc/47/92/41/987479241.db2.gz ACOZLOJUQQTIMS-HNNXBMFYSA-N -1 0 319.307 3.544 20 0 DHADRM CCc1[nH]c(C(=O)N(CC(C)C)C2CCCC2)c(C)c1C(=O)[O-] ZINC001597354425 987495371 /nfs/dbraw/zinc/49/53/71/987495371.db2.gz ANKUSVIHOVRABU-UHFFFAOYSA-N -1 0 320.433 3.625 20 0 DHADRM CCc1[nH]c(C(=O)NC[C@H]2CCCC(C)(C)C2)c(C)c1C(=O)[O-] ZINC001597368177 987547448 /nfs/dbraw/zinc/54/74/48/987547448.db2.gz MOUNQZYIJIKITR-LBPRGKRZSA-N -1 0 320.433 3.530 20 0 DHADRM CCc1[nH]c(C(=O)NCC2CCC(CC)CC2)c(C)c1C(=O)[O-] ZINC001597368357 987547981 /nfs/dbraw/zinc/54/79/81/987547981.db2.gz QAVYVZGLIINYRT-UHFFFAOYSA-N -1 0 320.433 3.530 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(O)c(F)c2F)cc1 ZINC001589641083 987562966 /nfs/dbraw/zinc/56/29/66/987562966.db2.gz JUQLFPRLNCAIFG-UHFFFAOYSA-N -1 0 321.323 3.645 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C2(F)CCCCC2)c1 ZINC001589644059 987576236 /nfs/dbraw/zinc/57/62/36/987576236.db2.gz LZNSHYOYWQZUCN-UHFFFAOYSA-N -1 0 308.349 3.627 20 0 DHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@H]2CCCCC2(C)C)n1 ZINC001589648980 987584614 /nfs/dbraw/zinc/58/46/14/987584614.db2.gz HVXDDSLACISSTH-JTQLQIEISA-N -1 0 324.446 3.660 20 0 DHADRM CCc1[nH]c(CNC2(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC001597391998 987623849 /nfs/dbraw/zinc/62/38/49/987623849.db2.gz OCOQZEXSQURDFB-UHFFFAOYSA-N -1 0 318.804 3.708 20 0 DHADRM CCc1[nH]c(CNc2cccc(Cl)c2N(C)C)cc1C(=O)[O-] ZINC001597398195 987650044 /nfs/dbraw/zinc/65/00/44/987650044.db2.gz FOTYYRWRWLRWKD-UHFFFAOYSA-N -1 0 321.808 3.607 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])c(C)n1)c1ccccc1 ZINC000261757233 1015327100 /nfs/dbraw/zinc/32/71/00/1015327100.db2.gz PKHLVXNHMMIVMT-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM CCc1c(NC2CCC(CC(=O)[O-])CC2)cnn1CCC(C)C ZINC001597419505 987723225 /nfs/dbraw/zinc/72/32/25/987723225.db2.gz AMVFENLDNCLKAU-UHFFFAOYSA-N -1 0 321.465 3.937 20 0 DHADRM CCc1c[nH]c(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001597421537 987740903 /nfs/dbraw/zinc/74/09/03/987740903.db2.gz PXSHBVOJEIYOGS-NSHDSACASA-N -1 0 314.769 3.683 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@H]1C(C)C ZINC001597452289 987847519 /nfs/dbraw/zinc/84/75/19/987847519.db2.gz FOIGBWHPWPYQGP-OAHLLOKOSA-N -1 0 318.417 3.846 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(CC)CC1 ZINC001597453902 987857554 /nfs/dbraw/zinc/85/75/54/987857554.db2.gz VIKJBCKYLXXGQL-UHFFFAOYSA-N -1 0 318.417 3.991 20 0 DHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n[nH]1 ZINC000474421049 1015343205 /nfs/dbraw/zinc/34/32/05/1015343205.db2.gz JSUABBDYNQMEDH-UHFFFAOYSA-N -1 0 321.446 3.532 20 0 DHADRM CSC1(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001599784358 987897360 /nfs/dbraw/zinc/89/73/60/987897360.db2.gz UZHQONRIACRGSF-UHFFFAOYSA-N -1 0 321.423 3.824 20 0 DHADRM CSC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001599784370 987897503 /nfs/dbraw/zinc/89/75/03/987897503.db2.gz VPBWRLBCYZFGAD-CQSZACIVSA-N -1 0 320.410 3.591 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)NCc2cc(C(=O)[O-])co2)CC1 ZINC001589726586 987910819 /nfs/dbraw/zinc/91/08/19/987910819.db2.gz LSBQRRXCFIWFKN-UHFFFAOYSA-N -1 0 321.417 3.837 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)CC1 ZINC001589726608 987910855 /nfs/dbraw/zinc/91/08/55/987910855.db2.gz MXRWGQSCERGKQF-MHVYXZCWSA-N -1 0 323.477 3.989 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NC[C@H](CC2CC2)C(=O)[O-])CC1 ZINC001589726897 987915605 /nfs/dbraw/zinc/91/56/05/987915605.db2.gz UBXNHPNFGSQRFO-VYRBHSGPSA-N -1 0 321.461 3.766 20 0 DHADRM CC(C)(C)C1CC(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC001589727118 987921211 /nfs/dbraw/zinc/92/12/11/987921211.db2.gz XDNBIIVKZHFJLH-SSDMNJCBSA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589728653 987935392 /nfs/dbraw/zinc/93/53/92/987935392.db2.gz NXTHLRUUVOXJDY-DZGCQCFKSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001589732980 987971522 /nfs/dbraw/zinc/97/15/22/987971522.db2.gz VFXPPXSJZDHUDK-CYBMUJFWSA-N -1 0 304.390 3.675 20 0 DHADRM CCc1cc(OCc2ccc(C(=O)[O-])c(Cl)c2)ccc1C=O ZINC001597488147 987996585 /nfs/dbraw/zinc/99/65/85/987996585.db2.gz VKPSWZNYAZFFAX-UHFFFAOYSA-N -1 0 318.756 3.992 20 0 DHADRM CCc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001597508260 988084877 /nfs/dbraw/zinc/08/48/77/988084877.db2.gz JSZWEULVTVMMNR-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CCc1ccc([C@H](C)C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001597511760 988093645 /nfs/dbraw/zinc/09/36/45/988093645.db2.gz HHHVJCHGQULTMM-AWEZNQCLSA-N -1 0 317.429 3.598 20 0 DHADRM C[C@H](Oc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474436970 1015361111 /nfs/dbraw/zinc/36/11/11/1015361111.db2.gz OVILMHUVXJYXIM-VIFPVBQESA-N -1 0 309.724 3.591 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589764838 988109032 /nfs/dbraw/zinc/10/90/32/988109032.db2.gz ZGWOTSXKLQUKOT-CQSZACIVSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)(C)CCCCNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001589771720 988124375 /nfs/dbraw/zinc/12/43/75/988124375.db2.gz DGWHWJWPEAPJFM-HNAYVOBHSA-N -1 0 317.429 3.578 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(F)cc(F)cc1F ZINC000474442853 1015363934 /nfs/dbraw/zinc/36/39/34/1015363934.db2.gz ATYPHZVLEKEGQL-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM CCc1ccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1 ZINC001597519936 988143854 /nfs/dbraw/zinc/14/38/54/988143854.db2.gz IAZCIBJZIQSYKF-QPEQYQDCSA-N -1 0 311.312 3.579 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589795215 988188686 /nfs/dbraw/zinc/18/86/86/988188686.db2.gz CFBMJPUWVBOWIF-KGLIPLIRSA-N -1 0 323.458 3.766 20 0 DHADRM CCc1ccc(N(C(=O)CC(C)(C)CC(=O)[O-])C(C)C)cc1 ZINC001597530826 988189016 /nfs/dbraw/zinc/18/90/16/988189016.db2.gz QKMNRXVEPBAMPQ-UHFFFAOYSA-N -1 0 305.418 3.881 20 0 DHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001589796023 988192693 /nfs/dbraw/zinc/19/26/93/988192693.db2.gz LFCYIVFWGCCBFY-UHFFFAOYSA-N -1 0 319.332 3.558 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c(C(=O)[O-])c1 ZINC001597542740 988232602 /nfs/dbraw/zinc/23/26/02/988232602.db2.gz JJTKJJFPQICQKO-IMRBUKKESA-N -1 0 303.402 3.958 20 0 DHADRM CCc1ccc(NC(=O)[C@@H](C)c2ccccc2C)c(C(=O)[O-])c1 ZINC001597543061 988236672 /nfs/dbraw/zinc/23/66/72/988236672.db2.gz QOVDOXMZZJIWOA-ZDUSSCGKSA-N -1 0 311.381 3.998 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c(C(=O)[O-])c1 ZINC001597543103 988237865 /nfs/dbraw/zinc/23/78/65/988237865.db2.gz STUVOTWTWKNSRS-ZIAGYGMSSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1C ZINC001597547244 988258178 /nfs/dbraw/zinc/25/81/78/988258178.db2.gz SMVMPZSKYVEYPB-UHFFFAOYSA-N -1 0 318.417 3.714 20 0 DHADRM CCc1ccc(NC(=O)c2nc(Cl)sc2C)c(C(=O)[O-])c1 ZINC001597551079 988271764 /nfs/dbraw/zinc/27/17/64/988271764.db2.gz ASZHTUNDKVHNJO-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCc1ccc(NC(=O)c2coc(C(F)F)c2)c(C(=O)[O-])c1 ZINC001597551178 988272614 /nfs/dbraw/zinc/27/26/14/988272614.db2.gz VRGGWYFMJJBAFA-UHFFFAOYSA-N -1 0 309.268 3.730 20 0 DHADRM CCc1ccc(N[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1F ZINC001597551772 988277047 /nfs/dbraw/zinc/27/70/47/988277047.db2.gz MSZMACRUGVACPX-MRXNPFEDSA-N -1 0 303.333 3.635 20 0 DHADRM CCc1ccc(NCc2nnc(-c3ccccc3)o2)c(C(=O)[O-])c1 ZINC001597552121 988279563 /nfs/dbraw/zinc/27/95/63/988279563.db2.gz UBVPAOPMBGLOFT-UHFFFAOYSA-N -1 0 323.352 3.609 20 0 DHADRM CSc1cc(NC(=O)c2ccsc2C(=O)[O-])ccc1C ZINC001599809884 988315575 /nfs/dbraw/zinc/31/55/75/988315575.db2.gz RZUGWYFHOPSEHF-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCCC2CC2)cc1 ZINC001599810965 988333666 /nfs/dbraw/zinc/33/36/66/988333666.db2.gz KJHJXQHTTLMICK-HNNXBMFYSA-N -1 0 321.442 3.621 20 0 DHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597569466 988334929 /nfs/dbraw/zinc/33/49/29/988334929.db2.gz RZXYLYWJHJMCDA-UHFFFAOYSA-N -1 0 324.380 3.850 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC(C)=C(C)C)cc1 ZINC001599811222 988337182 /nfs/dbraw/zinc/33/71/82/988337182.db2.gz SUFNEUBHIOHDPE-HNNXBMFYSA-N -1 0 321.442 3.787 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599812384 988359862 /nfs/dbraw/zinc/35/98/62/988359862.db2.gz VMKABCTVGXGIDF-CYBMUJFWSA-N -1 0 322.407 3.761 20 0 DHADRM CCc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n1 ZINC001597575575 988360555 /nfs/dbraw/zinc/36/05/55/988360555.db2.gz AFIWFDOMYNKNBJ-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CCc1cccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1O ZINC001597576297 988364119 /nfs/dbraw/zinc/36/41/19/988364119.db2.gz JQHLYWORNXFPEE-UHFFFAOYSA-N -1 0 313.353 3.522 20 0 DHADRM CCc1[nH]c(C(=O)Nc2c(C)cccc2CC)c(C)c1C(=O)[O-] ZINC001597580754 988382390 /nfs/dbraw/zinc/38/23/90/988382390.db2.gz DLVQFZCOBSQMAH-UHFFFAOYSA-N -1 0 314.385 3.707 20 0 DHADRM CSc1ccc(N(C)Cc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001599814185 988392163 /nfs/dbraw/zinc/39/21/63/988392163.db2.gz GGHJOJJKXZUBCL-UHFFFAOYSA-N -1 0 316.426 3.949 20 0 DHADRM CCc1cccc(CC)c1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597584931 988392868 /nfs/dbraw/zinc/39/28/68/988392868.db2.gz JCRBPBKDTLKGGR-UHFFFAOYSA-N -1 0 301.342 3.663 20 0 DHADRM CCc1cccc(CC)c1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001597585232 988394293 /nfs/dbraw/zinc/39/42/93/988394293.db2.gz MQIJQWLFGDHTMB-LUAWRHEFSA-N -1 0 313.353 3.755 20 0 DHADRM CSc1ccc(NC(=O)N2CC(C)(C)C[C@@H]2C)cc1C(=O)[O-] ZINC001599816135 988428361 /nfs/dbraw/zinc/42/83/61/988428361.db2.gz AYSFDACBAPXCLW-JTQLQIEISA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(C)cc2F)cc1C(=O)[O-] ZINC001599816755 988439361 /nfs/dbraw/zinc/43/93/61/988439361.db2.gz BARUMKRQYBNHEX-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001599817642 988454609 /nfs/dbraw/zinc/45/46/09/988454609.db2.gz OJZSXYKJCCFADC-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CSc1ccc(NC(=O)N[C@]23C[C@H]2CCCC3)cc1C(=O)[O-] ZINC001599818563 988471539 /nfs/dbraw/zinc/47/15/39/988471539.db2.gz VNNWHLDDASMDBQ-QLJPJBMISA-N -1 0 320.414 3.561 20 0 DHADRM CSc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1C(=O)[O-] ZINC001599819452 988486033 /nfs/dbraw/zinc/48/60/33/988486033.db2.gz XKVFFHPZBWEBRQ-NSHDSACASA-N -1 0 320.414 3.585 20 0 DHADRM CCc1ccccc1CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001597609557 988497060 /nfs/dbraw/zinc/49/70/60/988497060.db2.gz RSRQVMZORVQZGH-MRXNPFEDSA-N -1 0 321.779 3.957 20 0 DHADRM CCc1ccccc1CC(=O)N(CC)c1ccccc1C(=O)[O-] ZINC001597609871 988501018 /nfs/dbraw/zinc/50/10/18/988501018.db2.gz WYWONQMXJIFUTA-UHFFFAOYSA-N -1 0 311.381 3.543 20 0 DHADRM CCc1ccsc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001597623139 988568767 /nfs/dbraw/zinc/56/87/67/988568767.db2.gz PFFJXXMDAYGUJM-UHFFFAOYSA-N -1 0 315.394 3.602 20 0 DHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166950 1015400484 /nfs/dbraw/zinc/40/04/84/1015400484.db2.gz VAPXDQCBTYDBKR-LBPRGKRZSA-N -1 0 315.394 3.813 20 0 DHADRM CSc1ccccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599825336 988589789 /nfs/dbraw/zinc/58/97/89/988589789.db2.gz UAFYAYLMNNLXHW-UHFFFAOYSA-N -1 0 316.426 3.857 20 0 DHADRM CCc1csc([C@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC001597639280 988631851 /nfs/dbraw/zinc/63/18/51/988631851.db2.gz HWTHFPMCEJIGSE-YFKPBYRVSA-N -1 0 317.823 3.687 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC001599833210 988704199 /nfs/dbraw/zinc/70/41/99/988704199.db2.gz BJYILGLBBLAYBJ-GFCCVEGCSA-N -1 0 316.378 3.572 20 0 DHADRM CCc1nc([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])cs2)cs1 ZINC001597655730 988705053 /nfs/dbraw/zinc/70/50/53/988705053.db2.gz DKBMPVYPTFEOOW-IUCAKERBSA-N -1 0 310.444 3.877 20 0 DHADRM CCc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013249241 1015414631 /nfs/dbraw/zinc/41/46/31/1015414631.db2.gz HFEVAWVNBWMEGT-IBGZPJMESA-N -1 0 311.381 3.620 20 0 DHADRM Cc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000013251080 1015415439 /nfs/dbraw/zinc/41/54/39/1015415439.db2.gz OYMCUFRUUGBXGV-LJQANCHMSA-N -1 0 311.381 3.675 20 0 DHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC001599838422 988782955 /nfs/dbraw/zinc/78/29/55/988782955.db2.gz RQTVRSLOHQQCMV-SECBINFHSA-N -1 0 323.801 3.520 20 0 DHADRM CCc1nc(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)sc1C(=O)[O-] ZINC001597676289 988790093 /nfs/dbraw/zinc/79/00/93/988790093.db2.gz RYTOYVYHLILFHR-RKDXNWHRSA-N -1 0 312.435 3.661 20 0 DHADRM CCc1nc(NC(=O)C2CC3(C2)CCCCC3)sc1C(=O)[O-] ZINC001597676345 988791143 /nfs/dbraw/zinc/79/11/43/988791143.db2.gz VJZIYXABVZGFPM-UHFFFAOYSA-N -1 0 322.430 3.703 20 0 DHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CCCCCC1 ZINC001599839550 988801588 /nfs/dbraw/zinc/80/15/88/988801588.db2.gz SFBDKCJNOREXFV-GFCCVEGCSA-N -1 0 304.390 3.865 20 0 DHADRM CCc1nc(NC(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC001597682375 988821989 /nfs/dbraw/zinc/82/19/89/988821989.db2.gz XGCTUEMMQVMBGG-UHFFFAOYSA-N -1 0 318.398 3.581 20 0 DHADRM CCc1nc2ccc(NCc3nc(C(=O)[O-])cs3)cc2s1 ZINC001597691988 988890887 /nfs/dbraw/zinc/89/08/87/988890887.db2.gz XSBPDNAJPKRHEU-UHFFFAOYSA-N -1 0 319.411 3.626 20 0 DHADRM CCc1ncc(CNc2cccc3cc(C(=O)[O-])sc32)cn1 ZINC001597700411 988921237 /nfs/dbraw/zinc/92/12/37/988921237.db2.gz OCSSHAZMGZDFFF-UHFFFAOYSA-N -1 0 313.382 3.564 20 0 DHADRM CCc1ncc(CNc2ccc3sc(C(=O)[O-])cc3c2)cn1 ZINC001597700736 988922201 /nfs/dbraw/zinc/92/22/01/988922201.db2.gz QZDWCLAFXHOMMS-UHFFFAOYSA-N -1 0 313.382 3.564 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001599847269 988954472 /nfs/dbraw/zinc/95/44/72/988954472.db2.gz LDBQOIVSQJXORD-PIGZYNQJSA-N -1 0 319.405 3.506 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCCc2ccc(OC)cc21 ZINC001597766556 989214564 /nfs/dbraw/zinc/21/45/64/989214564.db2.gz WCRHZWRLNYZDOA-UHFFFAOYSA-N -1 0 315.369 3.502 20 0 DHADRM CCc1oc(CNc2cccc(O[C@H](C)CC)n2)cc1C(=O)[O-] ZINC001597804523 989407412 /nfs/dbraw/zinc/40/74/12/989407412.db2.gz GPSWTZUYIMOAOU-LLVKDONJSA-N -1 0 318.373 3.725 20 0 DHADRM CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001590302720 989728451 /nfs/dbraw/zinc/72/84/51/989728451.db2.gz CMTCMUGKNAFUGO-RISCZKNCSA-N -1 0 320.389 3.699 20 0 DHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001597895191 989755210 /nfs/dbraw/zinc/75/52/10/989755210.db2.gz COXUMDUVCZSKOC-UHFFFAOYSA-N -1 0 320.776 3.729 20 0 DHADRM CC(C)(C)OCc1ccccc1NCc1ccc(C(=O)[O-])o1 ZINC001590399147 989934146 /nfs/dbraw/zinc/93/41/46/989934146.db2.gz XKUACBCOVJPQBH-UHFFFAOYSA-N -1 0 303.358 3.905 20 0 DHADRM CC(C)(C)Oc1ccncc1NCc1ccc(C(=O)[O-])cc1F ZINC001590422326 989968649 /nfs/dbraw/zinc/96/86/49/989968649.db2.gz LVSIAJQVSJAGHI-UHFFFAOYSA-N -1 0 318.348 3.708 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CC23CCC3)s1 ZINC001590460854 990023544 /nfs/dbraw/zinc/02/35/44/990023544.db2.gz CIKBTWOSFYULAZ-JTQLQIEISA-N -1 0 307.415 3.873 20 0 DHADRM CC(C)(C)c1cc(CNc2cccc(CCC(=O)[O-])c2)no1 ZINC001590463346 990038297 /nfs/dbraw/zinc/03/82/97/990038297.db2.gz JHCWBLYCWKJGRS-UHFFFAOYSA-N -1 0 302.374 3.601 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)OC2CC(CC(=O)[O-])C2)cc1 ZINC001590484745 990080305 /nfs/dbraw/zinc/08/03/05/990080305.db2.gz FMAONIKKYXQELP-UHFFFAOYSA-N -1 0 318.413 3.713 20 0 DHADRM CC(C)(C)c1ccc(CC(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001590485521 990084336 /nfs/dbraw/zinc/08/43/36/990084336.db2.gz YYEHOERJDDLPBP-UHFFFAOYSA-N -1 0 312.365 3.830 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001590499108 990112028 /nfs/dbraw/zinc/11/20/28/990112028.db2.gz QKWHSOUDWQEXAL-MRXNPFEDSA-N -1 0 317.429 3.747 20 0 DHADRM CN(C(=O)C1CCC(C2CC2)CC1)c1ccccc1C(=O)[O-] ZINC001597998518 990125103 /nfs/dbraw/zinc/12/51/03/990125103.db2.gz OMBIKSBUAREYNI-UHFFFAOYSA-N -1 0 301.386 3.564 20 0 DHADRM Cc1cnc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC001141885514 1015538753 /nfs/dbraw/zinc/53/87/53/1015538753.db2.gz NWEBWQIFTATPOH-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM CC(C)(C)c1coc(SCc2ccccc2CC(=O)[O-])n1 ZINC001590527104 990140417 /nfs/dbraw/zinc/14/04/17/990140417.db2.gz SDKIJIFGRYJZCC-UHFFFAOYSA-N -1 0 305.399 3.892 20 0 DHADRM CC(C)(C)c1nnc(CSCc2csc(C(=O)[O-])c2)o1 ZINC001590565961 990204460 /nfs/dbraw/zinc/20/44/60/990204460.db2.gz QZTRZCWLAIQCIK-UHFFFAOYSA-N -1 0 312.416 3.560 20 0 DHADRM CC(C)(CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001590648801 990334592 /nfs/dbraw/zinc/33/45/92/990334592.db2.gz HZVVMPFJHBGZEE-UHFFFAOYSA-N -1 0 312.365 3.587 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001590654507 990347206 /nfs/dbraw/zinc/34/72/06/990347206.db2.gz NQAIIFMZFUQLDZ-CABCVRRESA-N -1 0 324.465 3.678 20 0 DHADRM CC(C)(CCNc1cccc(Cl)c1OCC(F)F)C(=O)[O-] ZINC001590693529 990408578 /nfs/dbraw/zinc/40/85/78/990408578.db2.gz SCTFTMZXODOMAL-UHFFFAOYSA-N -1 0 321.751 3.897 20 0 DHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598083412 990410574 /nfs/dbraw/zinc/41/05/74/990410574.db2.gz XCMSANPJETXOLM-IVYWBBSESA-N -1 0 319.401 3.664 20 0 DHADRM CN(C(=O)c1ccc(F)c2occc21)c1ccccc1C(=O)[O-] ZINC001598086133 990417458 /nfs/dbraw/zinc/41/74/58/990417458.db2.gz ZWUAFDHSJNXVCU-UHFFFAOYSA-N -1 0 313.284 3.547 20 0 DHADRM CC(C)(CNC(=O)CCCCCc1ccc(F)cc1)CC(=O)[O-] ZINC001590708444 990460531 /nfs/dbraw/zinc/46/05/31/990460531.db2.gz HGRCQOOTTMGGJC-UHFFFAOYSA-N -1 0 323.408 3.546 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590708631 990461614 /nfs/dbraw/zinc/46/16/14/990461614.db2.gz PBVRPOHPHQSIQE-UHFFFAOYSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])s1)C1=CCCCC1 ZINC001590749417 990548560 /nfs/dbraw/zinc/54/85/60/990548560.db2.gz URTUSPUXNJDMJJ-UHFFFAOYSA-N -1 0 307.415 3.703 20 0 DHADRM CC(C)(NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC001590855961 990743526 /nfs/dbraw/zinc/74/35/26/990743526.db2.gz SGROILZBJYDIGY-UHFFFAOYSA-N -1 0 318.398 3.910 20 0 DHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1 ZINC000013948453 1015587533 /nfs/dbraw/zinc/58/75/33/1015587533.db2.gz LYJRUJOGVWOEAZ-UHFFFAOYSA-N -1 0 322.430 3.896 20 0 DHADRM COc1cc(Nc2cnccc2C(F)(F)F)cc(C(=O)[O-])c1 ZINC001213585594 1015585635 /nfs/dbraw/zinc/58/56/35/1015585635.db2.gz YFKJQUAWUSNTTJ-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001590914463 990898641 /nfs/dbraw/zinc/89/86/41/990898641.db2.gz IMCFQNNMRCQBBI-ZKYQVNSYSA-N -1 0 306.358 3.820 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001590921792 990913610 /nfs/dbraw/zinc/91/36/10/990913610.db2.gz LGOBUGLJZZIMJU-AWEZNQCLSA-N -1 0 303.402 3.569 20 0 DHADRM CC(C)C(=O)c1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001590948742 990999547 /nfs/dbraw/zinc/99/95/47/990999547.db2.gz BZPSSUKIAAKHCP-UHFFFAOYSA-N -1 0 317.366 3.537 20 0 DHADRM CC(C)[C@@H](CNc1ncc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001590988409 991183188 /nfs/dbraw/zinc/18/31/88/991183188.db2.gz OJZZZDIJPXGQDN-CQSZACIVSA-N -1 0 319.792 3.680 20 0 DHADRM CC(C)[C@H](Cc1ccccc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001590992811 991207785 /nfs/dbraw/zinc/20/77/85/991207785.db2.gz ABWJJJMWQZNVAQ-JCYILVPMSA-N -1 0 318.413 3.688 20 0 DHADRM CC(C)[C@H](F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001590996196 991227126 /nfs/dbraw/zinc/22/71/26/991227126.db2.gz KTZAJZMAOARLFN-HOCLYGCPSA-N -1 0 323.408 3.610 20 0 DHADRM CN(C)c1cccc(CSCc2ccccc2C(=O)[O-])c1 ZINC001598340856 991398317 /nfs/dbraw/zinc/39/83/17/991398317.db2.gz RZKPHHZAYMQQRM-UHFFFAOYSA-N -1 0 301.411 3.884 20 0 DHADRM COc1ccccc1[C@H](C)OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599719320 991509590 /nfs/dbraw/zinc/50/95/90/991509590.db2.gz MAFWRBSXQFRMKV-LBPRGKRZSA-N -1 0 314.337 3.620 20 0 DHADRM CC(C)[C@@H]1C[C@@H]1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001591079128 991570786 /nfs/dbraw/zinc/57/07/86/991570786.db2.gz CJWAFBMZEPPJDQ-GJZGRUSLSA-N -1 0 301.386 3.562 20 0 DHADRM CC(C)C1CCC(NC(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC001591080780 991586825 /nfs/dbraw/zinc/58/68/25/991586825.db2.gz CWYWCJMNYIPHMN-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001591081282 991591379 /nfs/dbraw/zinc/59/13/79/991591379.db2.gz YBFCYZADHZOTIV-VXGBXAGGSA-N -1 0 317.410 3.508 20 0 DHADRM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001591081490 991593630 /nfs/dbraw/zinc/59/36/30/991593630.db2.gz ZUVZHHWFALOLFP-YUMQZZPRSA-N -1 0 316.184 3.922 20 0 DHADRM CC(C)[C@@H]1CCCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591088384 991622114 /nfs/dbraw/zinc/62/21/14/991622114.db2.gz HQPFFCMBDFOIAZ-KRWDZBQOSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1Nc1nccc(C(=O)[O-])n1 ZINC001591095254 991678373 /nfs/dbraw/zinc/67/83/73/991678373.db2.gz TYZKASDOHHUEMY-CZUORRHYSA-N -1 0 311.385 3.546 20 0 DHADRM 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/nfs/dbraw/zinc/38/16/79/992381679.db2.gz ABTPLHIRTYZIFS-QMMMGPOBSA-N -1 0 301.795 3.508 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001591444568 992540988 /nfs/dbraw/zinc/54/09/88/992540988.db2.gz IDNXGANYRDKXLL-CZUORRHYSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)Cc1nc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cs1 ZINC001591490959 992626276 /nfs/dbraw/zinc/62/62/76/992626276.db2.gz PNMFHMUMMIBQLI-SECBINFHSA-N -1 0 323.370 3.551 20 0 DHADRM CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1Cl ZINC001598517342 992633014 /nfs/dbraw/zinc/63/30/14/992633014.db2.gz DKIOBSJYRCJVFQ-CMDGGOBGSA-N -1 0 305.761 3.663 20 0 DHADRM CC(C)Cn1ncc(NC2CCC(CC(=O)[O-])CC2)c1C1CC1 ZINC001591533187 992708869 /nfs/dbraw/zinc/70/88/69/992708869.db2.gz AVKNZKGTNPLATK-UHFFFAOYSA-N -1 0 319.449 3.862 20 0 DHADRM CC(C)N(C)c1cccc(NC(=O)c2ccsc2C(=O)[O-])c1 ZINC001591561887 992766973 /nfs/dbraw/zinc/76/69/73/992766973.db2.gz GMAXFUOOHLDKBC-UHFFFAOYSA-N -1 0 318.398 3.543 20 0 DHADRM CN(Cc1ccccc1OC(F)F)c1ccccc1C(=O)[O-] ZINC001598530437 992772983 /nfs/dbraw/zinc/77/29/83/992772983.db2.gz HAPVTRVIRNBFFA-UHFFFAOYSA-N -1 0 307.296 3.623 20 0 DHADRM O=C([N-]OCc1ccccn1)C1(c2cccs2)CCCCC1 ZINC000909539230 1015781408 /nfs/dbraw/zinc/78/14/08/1015781408.db2.gz XQMOPTWHLKGUAM-UHFFFAOYSA-N -1 0 316.426 3.593 20 0 DHADRM CCCc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000320377560 1015794288 /nfs/dbraw/zinc/79/42/88/1015794288.db2.gz KIRFFLJRBGAFJD-OAHLLOKOSA-N -1 0 318.417 3.890 20 0 DHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC001593141295 993928016 /nfs/dbraw/zinc/92/80/16/993928016.db2.gz DVNCHZOEVNDFDM-BPLDGKMQSA-N -1 0 315.413 3.632 20 0 DHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2cccs2)c1[O-] ZINC000022769056 1015820317 /nfs/dbraw/zinc/82/03/17/1015820317.db2.gz IPFWPJUSCIFCQS-OVCLIPMQSA-N -1 0 310.762 3.677 20 0 DHADRM C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593218735 994290328 /nfs/dbraw/zinc/29/03/28/994290328.db2.gz KAVTXPSTRWOBRM-HZMBPMFUSA-N -1 0 319.332 3.681 20 0 DHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001599645858 994423692 /nfs/dbraw/zinc/42/36/92/994423692.db2.gz NAZUOKRLEFGVQB-GFCCVEGCSA-N -1 0 321.417 3.819 20 0 DHADRM COc1cccc([C@H](Oc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001599661710 994665837 /nfs/dbraw/zinc/66/58/37/994665837.db2.gz QATLCSVYNPPVEI-AWEZNQCLSA-N -1 0 310.708 3.692 20 0 DHADRM CNc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001598677901 994877626 /nfs/dbraw/zinc/87/76/26/994877626.db2.gz INRIYJOTRVVZRK-UHFFFAOYSA-N -1 0 318.760 3.641 20 0 DHADRM C[C@@H](Nc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001593363791 995038702 /nfs/dbraw/zinc/03/87/02/995038702.db2.gz USWUVJCJTYEKKE-OAUYIBNBSA-N -1 0 324.380 3.519 20 0 DHADRM C[C@H](Nc1ccc(OC(F)(F)F)c(Cl)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593364110 995039601 /nfs/dbraw/zinc/03/96/01/995039601.db2.gz XBMTZANKGONIDG-NBEYISGCSA-N -1 0 323.698 3.760 20 0 DHADRM C[C@H](Nc1ccc(OC(F)(F)F)c(Cl)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593364108 995039750 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C[C@@H](OC(=O)c1cscc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593601043 995754327 /nfs/dbraw/zinc/75/43/27/995754327.db2.gz DSFUQNXSGYLBDB-MRVPVSSYSA-N -1 0 323.370 3.650 20 0 DHADRM C[C@@H](S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC001593658494 996032398 /nfs/dbraw/zinc/03/23/98/996032398.db2.gz HWCCHEYDQYPXEQ-HTQZYQBOSA-N -1 0 312.778 3.657 20 0 DHADRM C[C@@H](SCc1ccn(C2CCCC2)n1)c1nc(C(=O)[O-])co1 ZINC001593662782 996043052 /nfs/dbraw/zinc/04/30/52/996043052.db2.gz FRSDZSLQWOTHDV-SNVBAGLBSA-N -1 0 321.402 3.679 20 0 DHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC001593664243 996050069 /nfs/dbraw/zinc/05/00/69/996050069.db2.gz JORGIVYBOLVXGR-TYNCELHUSA-N -1 0 321.442 3.560 20 0 DHADRM CCc1cc(Oc2cccc(NC(=O)C(=O)[O-])c2)ccc1Cl ZINC001143420753 1016001642 /nfs/dbraw/zinc/00/16/42/1016001642.db2.gz LEROTDLTAWTUHC-UHFFFAOYSA-N -1 0 319.744 3.718 20 0 DHADRM C[C@H](Sc1nnc(C(F)(F)F)s1)c1ccc(C(=O)[O-])o1 ZINC001593678459 996092340 /nfs/dbraw/zinc/09/23/40/996092340.db2.gz OKJFITHTIXXZOQ-BYPYZUCNSA-N -1 0 324.305 3.701 20 0 DHADRM C[C@@H](Sc1nc2ccccc2n1-c1ccc(F)cc1)C(=O)[O-] ZINC001593679097 996097510 /nfs/dbraw/zinc/09/75/10/996097510.db2.gz DJWZWFWQVNGFJV-SNVBAGLBSA-N -1 0 316.357 3.730 20 0 DHADRM C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC001593703480 996180810 /nfs/dbraw/zinc/18/08/10/996180810.db2.gz RBDWUAHWEPJYLZ-NSHDSACASA-N -1 0 319.788 3.937 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)C(C)C ZINC000236624658 1016015159 /nfs/dbraw/zinc/01/51/59/1016015159.db2.gz RMQYELQVEKEYGJ-LBPRGKRZSA-N -1 0 307.390 3.793 20 0 DHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])s1)C1CC1 ZINC001593719871 996245841 /nfs/dbraw/zinc/24/58/41/996245841.db2.gz UKAICMYNMWBEQO-SECBINFHSA-N -1 0 320.370 3.797 20 0 DHADRM CC1(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CCCCCC1 ZINC001593755738 996404444 /nfs/dbraw/zinc/40/44/44/996404444.db2.gz WYOINATWVJIADC-INIZCTEOSA-N -1 0 317.429 3.549 20 0 DHADRM CC[C@H](Cc1ccccc1-c1cc(C(F)(F)F)[nH]n1)C(=O)[O-] ZINC000657203380 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CC[C@@H]1CCCC[C@@H]1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000320025852 1021682899 /nfs/dbraw/zinc/68/28/99/1021682899.db2.gz GZMUVOCSZUMNJO-KGLIPLIRSA-N -1 0 303.402 3.700 20 0 DHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000328348831 1021713502 /nfs/dbraw/zinc/71/35/02/1021713502.db2.gz QWNUISRGPCSXFL-JLZZUVOBSA-N -1 0 311.381 3.518 20 0 DHADRM CC(C)[C@@H](F)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000784455435 1021717289 /nfs/dbraw/zinc/71/72/89/1021717289.db2.gz GCVOYXLUBYDKRP-SECBINFHSA-N -1 0 324.577 3.741 20 0 DHADRM Cc1cc(Nc2c(C)nc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001211650078 1021735220 /nfs/dbraw/zinc/73/52/20/1021735220.db2.gz OAIROOAOKIQUNA-UHFFFAOYSA-N -1 0 312.156 3.842 20 0 DHADRM Cc1cc(Nc2c(C)nccc2Br)ccc1C(=O)[O-] ZINC001211650238 1021766495 /nfs/dbraw/zinc/76/64/95/1021766495.db2.gz WJLFQQVCQMXJLI-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000154997366 1021805063 /nfs/dbraw/zinc/80/50/63/1021805063.db2.gz 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1022183109 /nfs/dbraw/zinc/18/31/09/1022183109.db2.gz VRXFSKQKSHGJSO-SKDRFNHKSA-N -1 0 303.299 3.717 20 0 DHADRM Cc1cc(C(F)(F)F)cc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000852908753 1022188548 /nfs/dbraw/zinc/18/85/48/1022188548.db2.gz JXEBGVMWFYBSSX-ZDUSSCGKSA-N -1 0 324.302 3.517 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000852942028 1022188567 /nfs/dbraw/zinc/18/85/67/1022188567.db2.gz CNBZYHGSNRCRMV-JTQLQIEISA-N -1 0 317.357 3.687 20 0 DHADRM CC(C)c1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000852953547 1022188745 /nfs/dbraw/zinc/18/87/45/1022188745.db2.gz RXWMTHCMPKFCRU-MSOLQXFVSA-N -1 0 323.392 3.853 20 0 DHADRM O=C(CCNc1cc([S-])cc([S-])c1)Nc1ccccc1 ZINC001168981168 1022197840 /nfs/dbraw/zinc/19/78/40/1022197840.db2.gz KKUHIBGPYBJKQP-UHFFFAOYSA-N -1 0 304.440 3.705 20 0 DHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921378901 1022256033 /nfs/dbraw/zinc/25/60/33/1022256033.db2.gz LLKRWORUELKHGH-OFQRWUPVSA-N -1 0 305.393 3.549 20 0 DHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000776673442 1022263645 /nfs/dbraw/zinc/26/36/45/1022263645.db2.gz PSZWJHYOCGQKTI-CQSZACIVSA-N -1 0 317.410 3.565 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000776679981 1022281584 /nfs/dbraw/zinc/28/15/84/1022281584.db2.gz CKWMCFZFTHIOOO-JXMROGBWSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(C(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000154719535 1022331892 /nfs/dbraw/zinc/33/18/92/1022331892.db2.gz AETQDXXGIPXYSK-UHFFFAOYSA-N -1 0 324.163 3.829 20 0 DHADRM Cc1cc2c(cc1C)N(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000804321541 1022401666 /nfs/dbraw/zinc/40/16/66/1022401666.db2.gz YTGCHDZRDZZOGR-UHFFFAOYSA-N -1 0 301.773 3.865 20 0 DHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnc1Cl ZINC000184470719 1022402529 /nfs/dbraw/zinc/40/25/29/1022402529.db2.gz HNYLXBJYUYAKRD-UHFFFAOYSA-N -1 0 315.131 3.794 20 0 DHADRM CC(C)(C)c1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)on1 ZINC000175652824 1022419128 /nfs/dbraw/zinc/41/91/28/1022419128.db2.gz 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1023190231 /nfs/dbraw/zinc/19/02/31/1023190231.db2.gz ANDSUENXHZTQOJ-UHFFFAOYSA-N -1 0 304.777 3.672 20 0 DHADRM Cc1ccc(Oc2ccccc2NC(=O)CCCC(=O)[O-])cc1 ZINC000319573415 1023196648 /nfs/dbraw/zinc/19/66/48/1023196648.db2.gz HNGWWLCHCCRRFR-UHFFFAOYSA-N -1 0 313.353 3.981 20 0 DHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000047367484 1023302737 /nfs/dbraw/zinc/30/27/37/1023302737.db2.gz FTRVMRFEDDTTLC-UHFFFAOYSA-N -1 0 305.399 3.619 20 0 DHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(F)c1F ZINC001211660840 1023336806 /nfs/dbraw/zinc/33/68/06/1023336806.db2.gz OKDUNQZULZAYGM-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000236706727 1023377911 /nfs/dbraw/zinc/37/79/11/1023377911.db2.gz VFQRBCPGXRKGDL-GOSISDBHSA-N -1 0 316.401 3.711 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000647701319 1023396441 /nfs/dbraw/zinc/39/64/41/1023396441.db2.gz HQNUNQGUEDGDCQ-SWLSCSKDSA-N -1 0 318.417 3.749 20 0 DHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000771224647 1023414409 /nfs/dbraw/zinc/41/44/09/1023414409.db2.gz PIPMNLOENDUXSI-UHFFFAOYSA-N -1 0 306.680 3.607 20 0 DHADRM Cc1cc(Nc2cccc3c2C(=O)N(C2CC2)C3)ccc1C(=O)[O-] ZINC001211663465 1023436479 /nfs/dbraw/zinc/43/64/79/1023436479.db2.gz KXGZEAIYXMZNCK-UHFFFAOYSA-N -1 0 322.364 3.555 20 0 DHADRM O=C(Nc1ccnn1C1CCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000772178197 1023521790 /nfs/dbraw/zinc/52/17/90/1023521790.db2.gz NNRKCJXZQIPJKR-UHFFFAOYSA-N -1 0 323.755 3.749 20 0 DHADRM Cc1nc2cc(NC(=O)c3c([O-])cccc3F)ccc2s1 ZINC000772236924 1023535918 /nfs/dbraw/zinc/53/59/18/1023535918.db2.gz USASFBVGSUOAGT-UHFFFAOYSA-N -1 0 302.330 3.702 20 0 DHADRM COc1cc(C)c(C)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659174207 1023557744 /nfs/dbraw/zinc/55/77/44/1023557744.db2.gz QWTVOWXNHZKUDN-UHFFFAOYSA-N -1 0 319.401 3.532 20 0 DHADRM CC(C)CCc1nnc(NC(=O)c2cnc(C3CC3)s2)s1 ZINC000617095957 1023587116 /nfs/dbraw/zinc/58/71/16/1023587116.db2.gz ABNSYRFQFLRQLK-UHFFFAOYSA-N -1 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CCCOc1ccc(Cl)cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000061835172 1024056454 /nfs/dbraw/zinc/05/64/54/1024056454.db2.gz KVBQXHIWEJNQFE-JTQLQIEISA-N -1 0 313.781 3.568 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000237528640 1024101654 /nfs/dbraw/zinc/10/16/54/1024101654.db2.gz BDAVRRJSAPKCCC-OLZOCXBDSA-N -1 0 321.442 3.514 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663339432 1024160762 /nfs/dbraw/zinc/16/07/62/1024160762.db2.gz OTNNLEQRNQWIIL-OAHLLOKOSA-N -1 0 318.417 3.741 20 0 DHADRM CC(C)CO[N-]C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000789819613 1024175487 /nfs/dbraw/zinc/17/54/87/1024175487.db2.gz CQWZYWDDXGPORN-UHFFFAOYSA-N -1 0 319.323 3.567 20 0 DHADRM O=C([O-])[C@H](CNC(=O)Nc1csc2ccccc12)C1CCC1 ZINC000663350559 1024184174 /nfs/dbraw/zinc/18/41/74/1024184174.db2.gz CIHMWGUGJAGBKO-GFCCVEGCSA-N -1 0 318.398 3.524 20 0 DHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(C2CCC2)cc1)C1CCC1 ZINC000663370127 1024219646 /nfs/dbraw/zinc/21/96/46/1024219646.db2.gz 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Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(Cl)c1 ZINC000237663815 1026018639 /nfs/dbraw/zinc/01/86/39/1026018639.db2.gz YRMJBDBAERPIBV-HNNXBMFYSA-N -1 0 317.772 3.594 20 0 DHADRM Cc1oc(NC(=O)c2cc(F)c([O-])c(Cl)c2)nc1C1CC1 ZINC000887241641 1026140589 /nfs/dbraw/zinc/14/05/89/1026140589.db2.gz ZPNUBQUGAFTFQS-UHFFFAOYSA-N -1 0 310.712 3.611 20 0 DHADRM Cc1ccc(-c2cc(C(=O)[N-]c3ccnc(F)c3F)on2)cc1 ZINC001131210448 1026236158 /nfs/dbraw/zinc/23/61/58/1026236158.db2.gz JWJQAJOAZDQWPR-UHFFFAOYSA-N -1 0 315.279 3.576 20 0 DHADRM CC[C@H](C)c1nc(-c2ccc(OC)c3c([O-])coc32)cs1 ZINC000356980221 1026256742 /nfs/dbraw/zinc/25/67/42/1026256742.db2.gz OEVZWALEWHONIO-VIFPVBQESA-N -1 0 303.383 3.907 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@@H]1C(=O)[O-])C1CC1 ZINC000262129679 1026478551 /nfs/dbraw/zinc/47/85/51/1026478551.db2.gz NYKXQFJKKPPGQN-ONERCXAPSA-N -1 0 321.804 3.503 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262111756 1026478808 /nfs/dbraw/zinc/47/88/08/1026478808.db2.gz MRQGQCLNEZZTFH-OLZOCXBDSA-N -1 0 321.442 3.935 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262113748 1026478913 /nfs/dbraw/zinc/47/89/13/1026478913.db2.gz MVMONIMFEFLVBH-VHSXEESVSA-N -1 0 313.806 3.501 20 0 DHADRM C[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000262210387 1026483449 /nfs/dbraw/zinc/48/34/49/1026483449.db2.gz SYYAEQZUMVTSJY-KKXDTOCCSA-N -1 0 323.392 3.642 20 0 DHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000262571775 1026503879 /nfs/dbraw/zinc/50/38/79/1026503879.db2.gz NDWXIMINVSUEAP-LLVKDONJSA-N -1 0 303.383 3.588 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)sc1Cl ZINC000263002424 1026533421 /nfs/dbraw/zinc/53/34/21/1026533421.db2.gz PBAOSISMHSEBJU-GFCCVEGCSA-N -1 0 324.229 3.674 20 0 DHADRM COc1cc(C)c(-c2nn(C(C)(C)C)cc2C(=O)[O-])cc1C ZINC000572304035 1027191192 /nfs/dbraw/zinc/19/11/92/1027191192.db2.gz CUNWFDLDQLQLIS-UHFFFAOYSA-N -1 0 302.374 3.629 20 0 DHADRM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1c(Cl)cccc1Cl ZINC000812403468 1027263173 /nfs/dbraw/zinc/26/31/73/1027263173.db2.gz SORGZEDFSCKIKS-WAXIIBMWSA-N -1 0 308.592 3.897 20 0 DHADRM CC(C)(C(=O)[N-]OC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000812398406 1027259650 /nfs/dbraw/zinc/25/96/50/1027259650.db2.gz PVKOCQKJPGUPBS-QPJJXVBHSA-N -1 0 321.726 3.783 20 0 DHADRM C[C@H](C(=O)[N-]OC/C=C/Cl)c1c(Cl)cccc1Cl ZINC000812403466 1027262242 /nfs/dbraw/zinc/26/22/42/1027262242.db2.gz SORGZEDFSCKIKS-HFSLJOEWSA-N -1 0 308.592 3.897 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000573864841 1027338878 /nfs/dbraw/zinc/33/88/78/1027338878.db2.gz GIFOBDZDPPNDBA-KRWDZBQOSA-N -1 0 319.763 3.757 20 0 DHADRM O=C([O-])c1c(F)cc(Nc2ccc(Cl)c(CO)c2)cc1F ZINC001203333122 1027395053 /nfs/dbraw/zinc/39/50/53/1027395053.db2.gz XMDDQVNEGUPIBA-UHFFFAOYSA-N -1 0 313.687 3.552 20 0 DHADRM CC[C@H](C)[C@@H](C)N(C(=O)CC1CCC(C(=O)[O-])CC1)C1CC1 ZINC000574455406 1027396343 /nfs/dbraw/zinc/39/63/43/1027396343.db2.gz BKSGQZJXEOGQAP-ZUJMUWTESA-N -1 0 309.450 3.693 20 0 DHADRM CCC[C@H](C)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000362812040 1027398138 /nfs/dbraw/zinc/39/81/38/1027398138.db2.gz GQGKGTWBCPLUEI-QMMMGPOBSA-N -1 0 311.428 3.713 20 0 DHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1cccc(C)c1O ZINC000812799276 1027425964 /nfs/dbraw/zinc/42/59/64/1027425964.db2.gz VEVPNRBFJJXDRC-UHFFFAOYSA-N -1 0 305.761 3.558 20 0 DHADRM CC(C)OCCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000812805047 1027428840 /nfs/dbraw/zinc/42/88/40/1027428840.db2.gz IFWDJMGMHYAYMD-OAHLLOKOSA-N -1 0 313.825 3.552 20 0 DHADRM CC(=O)c1ccc(F)c(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])c1 ZINC000575430914 1027485989 /nfs/dbraw/zinc/48/59/89/1027485989.db2.gz NZOKFVOHYUFAEC-PXNSSMCTSA-N -1 0 324.351 3.984 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(Cl)cc2C)s1 ZINC000295945132 1027497907 /nfs/dbraw/zinc/49/79/07/1027497907.db2.gz LIFDNIRQELPUQR-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000575988196 1027539988 /nfs/dbraw/zinc/53/99/88/1027539988.db2.gz AOIFHAJELJWJFX-KBXCAEBGSA-N -1 0 323.392 3.536 20 0 DHADRM CC(C)CCOc1cccc(NC(=O)NO[C@H]2CCCCO2)c1 ZINC000158471148 1027542215 /nfs/dbraw/zinc/54/22/15/1027542215.db2.gz FVKYSTAVURNBGQ-INIZCTEOSA-N -1 0 322.405 3.691 20 0 DHADRM O=C([O-])c1cc(NC(=O)/C=C\c2cccs2)ccc1Cl ZINC000214760178 1027555984 /nfs/dbraw/zinc/55/59/84/1027555984.db2.gz IBMRRMHEEYRSPK-XQRVVYSFSA-N -1 0 307.758 3.752 20 0 DHADRM C[C@H](CCNC(=O)CC1CCC(C(=O)[O-])CC1)CC(C)(C)C ZINC000576163353 1027574228 /nfs/dbraw/zinc/57/42/28/1027574228.db2.gz KVLHMPNHUMLQAL-WLYUNCDWSA-N -1 0 311.466 3.846 20 0 DHADRM C[C@@H](CCNC(=O)CC1CCC(C(=O)[O-])CC1)CC(C)(C)C ZINC000576163352 1027575047 /nfs/dbraw/zinc/57/50/47/1027575047.db2.gz KVLHMPNHUMLQAL-NFOMZHRRSA-N -1 0 311.466 3.846 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1cnc(C(C)(C)C)nc1 ZINC000562800221 1027605787 /nfs/dbraw/zinc/60/57/87/1027605787.db2.gz ZEBYOUFMHPZXIW-UHFFFAOYSA-N -1 0 313.401 3.647 20 0 DHADRM CC[C@@](C)(NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000576561461 1027633622 /nfs/dbraw/zinc/63/36/22/1027633622.db2.gz JHNNPHOYOZYKPY-MGPLVRAMSA-N -1 0 320.414 3.515 20 0 DHADRM COc1cc(OC)cc(-c2ccccc2CC2(C(=O)[O-])CC2)c1 ZINC000576768606 1027657056 /nfs/dbraw/zinc/65/70/56/1027657056.db2.gz XCOWALRVQOAIGN-UHFFFAOYSA-N -1 0 312.365 3.778 20 0 DHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(F)c1[O-] ZINC000933196044 1027694187 /nfs/dbraw/zinc/69/41/87/1027694187.db2.gz FQOWHZFBCNRIKN-DGCLKSJQSA-N -1 0 317.335 3.689 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCCC1 ZINC000814020200 1027814804 /nfs/dbraw/zinc/81/48/04/1027814804.db2.gz LDSRNFULMXAGEY-HNNXBMFYSA-N -1 0 323.458 3.554 20 0 DHADRM Cc1cc(-c2sccc2C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000577887334 1027977517 /nfs/dbraw/zinc/97/75/17/1027977517.db2.gz ODXMIIHRDKMPSU-LBPRGKRZSA-N -1 0 304.367 3.589 20 0 DHADRM Cc1ccccc1-c1nc(=N[C@H](C)CC(F)(F)F)s[n-]1 ZINC000527964553 1028008353 /nfs/dbraw/zinc/00/83/53/1028008353.db2.gz CRQCLVHWWSJIHB-SECBINFHSA-N -1 0 301.337 3.688 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000578436981 1028150343 /nfs/dbraw/zinc/15/03/43/1028150343.db2.gz HIWPVTGCFNIBDC-HXPMCKFVSA-N -1 0 323.241 3.741 20 0 DHADRM c1cc2c(nc1CN=c1nc(C3CCCC3)[n-]s1)CCCC2 ZINC000578495844 1028167389 /nfs/dbraw/zinc/16/73/89/1028167389.db2.gz PNBXYSKWHQBDOB-UHFFFAOYSA-N -1 0 314.458 3.504 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2cc(F)ccc2CC(=O)[O-])c1 ZINC000578550285 1028177876 /nfs/dbraw/zinc/17/78/76/1028177876.db2.gz CMJQVSZFFGKPFR-LBPRGKRZSA-N -1 0 318.344 3.534 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@H]1C1CCCCC1 ZINC000367387008 1028179173 /nfs/dbraw/zinc/17/91/73/1028179173.db2.gz ZEBZDCNIEGXJAR-INIZCTEOSA-N -1 0 309.450 3.983 20 0 DHADRM Cc1cccc([C@@H](N=c2[n-]c(C3CCOCC3)no2)C(C)C)c1 ZINC000528211062 1028184645 /nfs/dbraw/zinc/18/46/45/1028184645.db2.gz DNBNMJPAPQNBKQ-INIZCTEOSA-N -1 0 315.417 3.503 20 0 DHADRM CC[C@H](C)n1ncc(NC(=O)c2cccc(F)c2[O-])c1C1CC1 ZINC000935146153 1028208501 /nfs/dbraw/zinc/20/85/01/1028208501.db2.gz QLPPMKRSYUBTOL-JTQLQIEISA-N -1 0 317.364 3.829 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(F)c1)C(C)C ZINC000448970843 1028219936 /nfs/dbraw/zinc/21/99/36/1028219936.db2.gz RPIDLTPWLJCZMP-IBGZPJMESA-N -1 0 315.388 3.896 20 0 DHADRM Cc1cc(-c2ccccc2C(=O)[O-])cnc1OCC(F)(F)F ZINC000578774953 1028238515 /nfs/dbraw/zinc/23/85/15/1028238515.db2.gz XXRYSILHHXZOOT-UHFFFAOYSA-N -1 0 311.259 3.696 20 0 DHADRM Cc1cccc([C@H]2CCN(C(=O)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000935355594 1028253339 /nfs/dbraw/zinc/25/33/39/1028253339.db2.gz GQCQCCAUAZLMRK-ZDUSSCGKSA-N -1 0 317.335 3.609 20 0 DHADRM CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000367996569 1028272636 /nfs/dbraw/zinc/27/26/36/1028272636.db2.gz HYASHGMNYMUJAC-DLBZAZTESA-N -1 0 317.429 3.735 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2cncc(C(F)(F)F)c2)cc1 ZINC000579127998 1028331177 /nfs/dbraw/zinc/33/11/77/1028331177.db2.gz MFPPZXVPLVPTOV-UONOGXRCSA-N -1 0 307.271 3.956 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(C(F)(F)F)nn2)c(Cl)c1 ZINC001245371357 1028339428 /nfs/dbraw/zinc/33/94/28/1028339428.db2.gz OZGSRCILBZBHGV-UHFFFAOYSA-N -1 0 302.639 3.514 20 0 DHADRM CCC(C)(C)[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000579354533 1028388522 /nfs/dbraw/zinc/38/85/22/1028388522.db2.gz CLQPTWJAVQGCGQ-OAHLLOKOSA-N -1 0 318.442 3.789 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000579477866 1028417625 /nfs/dbraw/zinc/41/76/25/1028417625.db2.gz NCDPQCUQVXLVLT-JTTJXQCZSA-N -1 0 309.450 3.696 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000369047707 1028439659 /nfs/dbraw/zinc/43/96/59/1028439659.db2.gz OPOCAGRDRLHBRG-ZDUSSCGKSA-N -1 0 319.763 3.814 20 0 DHADRM O=C(CCCc1ccc(O)c(F)c1)N1CC[C@H](CC2CC2)C1 ZINC000579633020 1028452124 /nfs/dbraw/zinc/45/21/24/1028452124.db2.gz UHECNZAPTRJIAU-OAHLLOKOSA-N -1 0 305.393 3.503 20 0 DHADRM O=C(CCCc1ccc(O)c(F)c1)N1CC[C@@H](CC2CC2)C1 ZINC000579633019 1028452870 /nfs/dbraw/zinc/45/28/70/1028452870.db2.gz UHECNZAPTRJIAU-HNNXBMFYSA-N -1 0 305.393 3.503 20 0 DHADRM Cc1oc([C@H](C)N2CCc3ccc(F)cc3C2)cc1C(=O)[O-] ZINC000565103985 1028539309 /nfs/dbraw/zinc/53/93/09/1028539309.db2.gz LWWSOIGPZIZKQV-JTQLQIEISA-N -1 0 303.333 3.545 20 0 DHADRM Cc1cc([C@@H](C)N2Cc3ccccc3O[C@H](C)C2)oc1C(=O)[O-] ZINC000565254538 1028566084 /nfs/dbraw/zinc/56/60/84/1028566084.db2.gz NOYMXONIDRYBLH-CHWSQXEVSA-N -1 0 315.369 3.630 20 0 DHADRM CC(F)(F)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000815682124 1028600367 /nfs/dbraw/zinc/60/03/67/1028600367.db2.gz QQIVJJUBLFDLMG-MRVPVSSYSA-N -1 0 301.642 3.715 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000566359903 1028708760 /nfs/dbraw/zinc/70/87/60/1028708760.db2.gz DFKZXBYMRPKKQP-AWEZNQCLSA-N -1 0 322.430 3.643 20 0 DHADRM C[C@H]1CCN(Cc2cc(Cl)sc2Cl)C[C@@H]1C(=O)[O-] ZINC000566796620 1028784096 /nfs/dbraw/zinc/78/40/96/1028784096.db2.gz LSZLRYWAQZKJGH-CBAPKCEASA-N -1 0 308.230 3.598 20 0 DHADRM C[C@H](COc1ccccc1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000566932465 1028804833 /nfs/dbraw/zinc/80/48/33/1028804833.db2.gz IUKTZRKKMJSLAG-SNVBAGLBSA-N -1 0 323.751 3.838 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000567108124 1028836502 /nfs/dbraw/zinc/83/65/02/1028836502.db2.gz SFOWAWWUDBEFDK-LZWOXQAQSA-N -1 0 320.433 3.669 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)[C@@H](C)CC ZINC000567108125 1028838055 /nfs/dbraw/zinc/83/80/55/1028838055.db2.gz SFOWAWWUDBEFDK-OFQRWUPVSA-N -1 0 320.433 3.669 20 0 DHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000567274460 1028865724 /nfs/dbraw/zinc/86/57/24/1028865724.db2.gz WMMDMAHHANLBQV-SSNHOHEISA-N -1 0 321.461 3.743 20 0 DHADRM COc1cc(C(F)(F)F)cc(-c2cc([O-])c(F)c(F)c2F)n1 ZINC001245634306 1028870126 /nfs/dbraw/zinc/87/01/26/1028870126.db2.gz MIPSVEFAFFYNSL-UHFFFAOYSA-N -1 0 323.192 3.899 20 0 DHADRM CC(C)(C(=O)[N-]OCCCc1cccc(F)c1)c1ccccc1 ZINC000778591813 1028906735 /nfs/dbraw/zinc/90/67/35/1028906735.db2.gz AVRSDRFCODUDDI-UHFFFAOYSA-N -1 0 315.388 3.784 20 0 DHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC12CCCCC2 ZINC000373064155 1028946346 /nfs/dbraw/zinc/94/63/46/1028946346.db2.gz UDKDLAUZMOOPCE-UHFFFAOYSA-N -1 0 302.399 3.665 20 0 DHADRM COCc1cc(-c2cc(C(=O)[O-])n(C(C)C)c2)ccc1OC ZINC000568266577 1029035385 /nfs/dbraw/zinc/03/53/85/1029035385.db2.gz ZURWUPBWFWOXTR-UHFFFAOYSA-N -1 0 303.358 3.589 20 0 DHADRM C[C@H](Cc1cccs1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816917638 1029038963 /nfs/dbraw/zinc/03/89/63/1029038963.db2.gz WFHKABDIQIEPSV-SECBINFHSA-N -1 0 318.423 3.539 20 0 DHADRM C[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000568285162 1029039718 /nfs/dbraw/zinc/03/97/18/1029039718.db2.gz ZIQVLVZGNFPTEN-AWEZNQCLSA-N -1 0 317.429 3.650 20 0 DHADRM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc(Cl)c1[O-] ZINC000817224815 1029090149 /nfs/dbraw/zinc/09/01/49/1029090149.db2.gz YPOFGLDQFZIXFZ-LBPRGKRZSA-N -1 0 311.715 3.782 20 0 DHADRM Cc1cc(N[C@H](C)Cc2ccn(C(C)C)n2)ccc1C(=O)[O-] ZINC000568604943 1029100124 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ZINC001174682928 1034546926 /nfs/dbraw/zinc/54/69/26/1034546926.db2.gz HTFVDJFNQRGALZ-UHFFFAOYSA-N -1 0 316.357 3.628 20 0 DHADRM COc1cc(Nc2cc(CC(C)(C)C)no2)ccc1C(=O)[O-] ZINC001174681283 1034546936 /nfs/dbraw/zinc/54/69/36/1034546936.db2.gz QDLGULMRIJNUEV-UHFFFAOYSA-N -1 0 304.346 3.714 20 0 DHADRM CCn1cc2cc(Nc3ccc(C(=O)[O-])c(OC)c3)ccc2n1 ZINC001174684941 1034547096 /nfs/dbraw/zinc/54/70/96/1034547096.db2.gz BWFZFJOXDPMFNS-UHFFFAOYSA-N -1 0 311.341 3.507 20 0 DHADRM COc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174683856 1034547147 /nfs/dbraw/zinc/54/71/47/1034547147.db2.gz RYAGFFABGQWGKB-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2cc(C3CCCC3)no2)ccc1C(=O)[O-] ZINC001174681197 1034547221 /nfs/dbraw/zinc/54/72/21/1034547221.db2.gz OBCXGCIBIZBFGM-UHFFFAOYSA-N -1 0 302.330 3.783 20 0 DHADRM COc1cc(Nc2ccc3sncc3c2)ccc1C(=O)[O-] ZINC001174687315 1034549438 /nfs/dbraw/zinc/54/94/38/1034549438.db2.gz SJEGZFGYAWYVIP-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM COc1cc(Nc2c(N)ccc(Cl)c2C)ccc1C(=O)[O-] ZINC001174687587 1034549547 /nfs/dbraw/zinc/54/95/47/1034549547.db2.gz YVGVNHVUUNWSAU-UHFFFAOYSA-N -1 0 306.749 3.681 20 0 DHADRM COc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685220 1034549554 /nfs/dbraw/zinc/54/95/54/1034549554.db2.gz LVDCUUKLIMGPDD-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2cc(F)cc3cccnc32)ccc1C(=O)[O-] ZINC001174687621 1034549900 /nfs/dbraw/zinc/54/99/00/1034549900.db2.gz ZSVKUMBBMCEPFS-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc2cnccc21 ZINC000899354293 1034590078 /nfs/dbraw/zinc/59/00/78/1034590078.db2.gz DRDGCGSLZCMIRJ-ZDUSSCGKSA-N -1 0 319.286 3.526 20 0 DHADRM CC(C)c1nc(/C=C/c2ccc3c(c2)C[C@H](C)O3)ncc1C(=O)[O-] ZINC000899355976 1034593044 /nfs/dbraw/zinc/59/30/44/1034593044.db2.gz GUJNRQXWJBMTEF-PZBABLGHSA-N -1 0 324.380 3.792 20 0 DHADRM O=c1cc(CC2CC2)[n-]n1-c1nc2ccc(Cl)cc2s1 ZINC000899349225 1034595400 /nfs/dbraw/zinc/59/54/00/1034595400.db2.gz 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/nfs/dbraw/zinc/74/15/88/1039741588.db2.gz OFWBFRMYXTYYBW-UHFFFAOYSA-N -1 0 324.222 3.606 20 0 DHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000606143550 1039779654 /nfs/dbraw/zinc/77/96/54/1039779654.db2.gz UCLRFXLLAMBPOM-UHFFFAOYSA-N -1 0 324.833 3.661 20 0 DHADRM CCOc1ccccc1CN(C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000515491059 1039909572 /nfs/dbraw/zinc/90/95/72/1039909572.db2.gz VGMJGIYVJFKUOC-LBPRGKRZSA-N -1 0 317.385 3.878 20 0 DHADRM CSc1cc(C)c(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000594872108 1039913340 /nfs/dbraw/zinc/91/33/40/1039913340.db2.gz PTSBQQLZIZATJL-NSHDSACASA-N -1 0 303.383 3.631 20 0 DHADRM Cc1cccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000062692761 1039947214 /nfs/dbraw/zinc/94/72/14/1039947214.db2.gz KDXFUTHIIBTUKX-HBWSCVEGSA-N -1 0 310.349 3.743 20 0 DHADRM Cc1ccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000062692685 1039947464 /nfs/dbraw/zinc/94/74/64/1039947464.db2.gz SXAKVADYMDMXQI-VNDWYCCKSA-N -1 0 310.349 3.743 20 0 DHADRM CC(F)(F)CCCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000574888615 1040057676 /nfs/dbraw/zinc/05/76/76/1040057676.db2.gz CXYVCSRHOJXSRF-UHFFFAOYSA-N -1 0 311.250 3.576 20 0 DHADRM O=C(NC1(c2cccc(Cl)c2)CC1)c1c([O-])cc(F)cc1F ZINC000607191417 1040115195 /nfs/dbraw/zinc/11/51/95/1040115195.db2.gz BFFQGBUKPIROBW-UHFFFAOYSA-N -1 0 323.726 3.743 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000575185208 1040184852 /nfs/dbraw/zinc/18/48/52/1040184852.db2.gz QTPPWFCYFCZFMP-INIZCTEOSA-N -1 0 320.389 3.640 20 0 DHADRM COc1ccc(O)c(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1 ZINC000607549324 1040192677 /nfs/dbraw/zinc/19/26/77/1040192677.db2.gz HJZYZPNZLMBYNO-UHFFFAOYSA-N -1 0 315.369 3.830 20 0 DHADRM CCc1cnc([N-]S(=O)(=O)c2c(CC)cccc2CC)s1 ZINC000608258756 1040427034 /nfs/dbraw/zinc/42/70/34/1040427034.db2.gz XGZRGEIFMVXKSO-UHFFFAOYSA-N -1 0 324.471 3.631 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](CC1CC1)c1ccccc1)C(=O)[O-] ZINC000608340576 1040477431 /nfs/dbraw/zinc/47/74/31/1040477431.db2.gz OZUAETHLCHGRNE-INIZCTEOSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)Sc1ccccc1 ZINC000608474906 1040505208 /nfs/dbraw/zinc/50/52/08/1040505208.db2.gz VHAKCWGWIZIARO-JTQLQIEISA-N -1 0 323.364 3.581 20 0 DHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(C2CCCC2)CC1 ZINC000608475264 1040506796 /nfs/dbraw/zinc/50/67/96/1040506796.db2.gz RRYAFVNBJZZUAY-UHFFFAOYSA-N -1 0 309.356 3.713 20 0 DHADRM C[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)[C@H](c2ccco2)C1 ZINC000608490625 1040520532 /nfs/dbraw/zinc/52/05/32/1040520532.db2.gz RNSQBBDCFZBCSH-MFKMUULPSA-N -1 0 321.323 3.877 20 0 DHADRM CCC[C@@H](C)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000608758196 1040614855 /nfs/dbraw/zinc/61/48/55/1040614855.db2.gz UUBJYLKDHJXLKG-SSDOTTSWSA-N -1 0 320.614 3.727 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000597029579 1040630874 /nfs/dbraw/zinc/63/08/74/1040630874.db2.gz NIGFWKLEVZDXGP-ZIAGYGMSSA-N -1 0 317.495 3.502 20 0 DHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1ccccc1OC ZINC000516938091 1040673517 /nfs/dbraw/zinc/67/35/17/1040673517.db2.gz JBTMOFWLGDSZSH-UHFFFAOYSA-N -1 0 316.353 3.858 20 0 DHADRM Cc1oc2ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc2c1C ZINC000602004326 1040857442 /nfs/dbraw/zinc/85/74/42/1040857442.db2.gz JGPVUYINWZTEAI-QWRGUYRKSA-N -1 0 321.398 3.583 20 0 DHADRM O=C([O-])c1c(-c2ccc(C(F)(F)F)s2)nc2n1CCCC2 ZINC000517395561 1040874851 /nfs/dbraw/zinc/87/48/51/1040874851.db2.gz KJKNNHSLCRTWND-UHFFFAOYSA-N -1 0 316.304 3.665 20 0 DHADRM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000457242471 1041058777 /nfs/dbraw/zinc/05/87/77/1041058777.db2.gz FPUSEKHIFYMKBX-ANRSDYALSA-N -1 0 301.308 3.508 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000457297577 1041075288 /nfs/dbraw/zinc/07/52/88/1041075288.db2.gz RKVZSNBIQAPTTR-KZULUSFZSA-N -1 0 315.319 3.513 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180006472 334942164 /nfs/dbraw/zinc/94/21/64/334942164.db2.gz OKEVRMNGCKUGFX-IXDOHACOSA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000190600847 334957128 /nfs/dbraw/zinc/95/71/28/334957128.db2.gz AVWWJFKFUAUPAV-HNNXBMFYSA-N -1 0 301.317 3.656 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(C(C)C)s1 ZINC000190871189 334958749 /nfs/dbraw/zinc/95/87/49/334958749.db2.gz ZFFCJQYADXYLPU-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM O=S(=O)([N-]c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000144713133 186036011 /nfs/dbraw/zinc/03/60/11/186036011.db2.gz QXADPIMBVOSQNB-UHFFFAOYSA-N -1 0 310.378 3.549 20 0 DHADRM CCC(CC)(CNC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC000191119725 334971892 /nfs/dbraw/zinc/97/18/92/334971892.db2.gz OQXKGCOPIBIVTO-UHFFFAOYSA-N -1 0 315.369 3.567 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236784352 202006218 /nfs/dbraw/zinc/00/62/18/202006218.db2.gz GVZWDTLJXXYDHF-MRXNPFEDSA-N -1 0 317.429 3.844 20 0 DHADRM CC1CCC(N(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)CC1 ZINC000236784478 202008470 /nfs/dbraw/zinc/00/84/70/202008470.db2.gz GMMRHOFDMJQLHU-UHFFFAOYSA-N -1 0 301.386 3.568 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000004201445 181084347 /nfs/dbraw/zinc/08/43/47/181084347.db2.gz YZAWSVXLBXSZIO-INIZCTEOSA-N -1 0 311.381 3.540 20 0 DHADRM CCC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000236854457 202038791 /nfs/dbraw/zinc/03/87/91/202038791.db2.gz NVWCUPIRWYUKIS-IUODEOHRSA-N -1 0 323.458 3.867 20 0 DHADRM CCC[C@](C)(NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC000236834963 202031762 /nfs/dbraw/zinc/03/17/62/202031762.db2.gz JYGMEOANWLNKMG-INIZCTEOSA-N -1 0 309.431 3.560 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1 ZINC000236872765 202047046 /nfs/dbraw/zinc/04/70/46/202047046.db2.gz DGXLAUYTOPDVHS-PBHICJAKSA-N -1 0 305.418 3.578 20 0 DHADRM CC[C@@H](CC(=O)N(CCC(=O)[O-])C(C)C)c1ccc(C)cc1 ZINC000236912385 202067323 /nfs/dbraw/zinc/06/73/23/202067323.db2.gz YFBHSSPHSIDDGE-HNNXBMFYSA-N -1 0 305.418 3.590 20 0 DHADRM CC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236992461 202112545 /nfs/dbraw/zinc/11/25/45/202112545.db2.gz KRFQMCSGRMJFLL-IUODEOHRSA-N -1 0 305.418 3.662 20 0 DHADRM O=C([O-])c1cccc(NC(=S)Nc2cccc(Cl)c2)c1 ZINC000005898839 181294421 /nfs/dbraw/zinc/29/44/21/181294421.db2.gz YJRHFCHYVWYBJP-UHFFFAOYSA-N -1 0 306.774 3.847 20 0 DHADRM Cc1cccc([C@@H](NCc2cnc(C(C)C)s2)C(=O)[O-])c1C ZINC000417568089 334991547 /nfs/dbraw/zinc/99/15/47/334991547.db2.gz SZRJGKPGMFGZAU-OAHLLOKOSA-N -1 0 318.442 3.799 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NCc1ncc(C(C)(C)C)s1 ZINC000417578683 334995943 /nfs/dbraw/zinc/99/59/43/334995943.db2.gz NVBQKRZHDIHIPI-UHFFFAOYSA-N -1 0 320.414 3.760 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000191621513 335004631 /nfs/dbraw/zinc/00/46/31/335004631.db2.gz VECGSKHNHHCPTA-LSDHHAIUSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)(C)c1nc(CN[C@H](CC2CCCCC2)C(=O)[O-])cs1 ZINC000417605580 335005996 /nfs/dbraw/zinc/00/59/96/335005996.db2.gz BNTSKCCNGGQVBK-CQSZACIVSA-N -1 0 324.490 3.954 20 0 DHADRM O=C([O-])CC[C@H](NCc1csc(C2CC2)n1)c1ccccc1 ZINC000417605898 335006853 /nfs/dbraw/zinc/00/68/53/335006853.db2.gz ZGBVBIOQNUQILI-HNNXBMFYSA-N -1 0 316.426 3.716 20 0 DHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1F ZINC000417612989 335011453 /nfs/dbraw/zinc/01/14/53/335011453.db2.gz SFGDDCPMJGUWIK-LBPRGKRZSA-N -1 0 317.360 3.710 20 0 DHADRM CCc1cnc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000417607991 335007156 /nfs/dbraw/zinc/00/71/56/335007156.db2.gz HYIMLCAKQBAUBB-NSHDSACASA-N -1 0 304.415 3.896 20 0 DHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2ccc3c(c2)ncn3C)cc1 ZINC000417614815 335008434 /nfs/dbraw/zinc/00/84/34/335008434.db2.gz VUQBIWDIJGKFPN-CYBMUJFWSA-N -1 0 323.396 3.764 20 0 DHADRM CCOc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000417615465 335008861 /nfs/dbraw/zinc/00/88/61/335008861.db2.gz XQMFFGDLQOIMLW-CQSZACIVSA-N -1 0 313.397 3.961 20 0 DHADRM O=C([O-])CCCc1ccccc1NCc1ccc2c(c1)CCO2 ZINC000417620269 335014253 /nfs/dbraw/zinc/01/42/53/335014253.db2.gz IVWUSSPIAFCVCE-UHFFFAOYSA-N -1 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CC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC000029816779 336224519 /nfs/dbraw/zinc/22/45/19/336224519.db2.gz MCIGCSXHRAFRJS-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM O=C([O-])COc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000324686119 336244720 /nfs/dbraw/zinc/24/47/20/336244720.db2.gz PHAIMXHQFDHEMG-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM CC(C)c1nc(=N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)s[n-]1 ZINC000532498429 336251573 /nfs/dbraw/zinc/25/15/73/336251573.db2.gz DVNMFLDNPRNZDB-GFCCVEGCSA-N -1 0 321.421 3.937 20 0 DHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2c1 ZINC000532596351 336257246 /nfs/dbraw/zinc/25/72/46/336257246.db2.gz OFVGIFWTLFKETB-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CCO[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000192781130 336261548 /nfs/dbraw/zinc/26/15/48/336261548.db2.gz WGHJMVSXPUVIEW-MRXNPFEDSA-N -1 0 319.788 3.553 20 0 DHADRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000532694873 336266860 /nfs/dbraw/zinc/26/68/60/336266860.db2.gz 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ZINC000321490054 337629881 /nfs/dbraw/zinc/62/98/81/337629881.db2.gz ROYSDRJKUHIXJG-UHFFFAOYSA-N -1 0 311.381 3.747 20 0 DHADRM Cc1nc([C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)sc1C(=O)[O-] ZINC000263531721 337631460 /nfs/dbraw/zinc/63/14/60/337631460.db2.gz MRWVAAWJNZDYHX-WDEREUQCSA-N -1 0 324.446 3.543 20 0 DHADRM Cc1scc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000263549346 337631502 /nfs/dbraw/zinc/63/15/02/337631502.db2.gz VRCNDRCSPHTHEI-GXTWGEPZSA-N -1 0 309.431 3.518 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000263557118 337631668 /nfs/dbraw/zinc/63/16/68/337631668.db2.gz ZJYYPCMXICTWFI-SNVBAGLBSA-N -1 0 313.781 3.568 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000263580661 337631740 /nfs/dbraw/zinc/63/17/40/337631740.db2.gz WEORRNJELWJNTK-WKILWMFISA-N -1 0 321.461 3.840 20 0 DHADRM Cc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000572423861 337638226 /nfs/dbraw/zinc/63/82/26/337638226.db2.gz PEIHALLVRZTYBY-CQSZACIVSA-N -1 0 312.365 3.776 20 0 DHADRM Cc1ccc(C[C@@H](Sc2nnc(C3CC3)s2)C(=O)[O-])cc1 ZINC000580450497 337677173 /nfs/dbraw/zinc/67/71/73/337677173.db2.gz KXMSWKUAAGGSRT-GFCCVEGCSA-N -1 0 320.439 3.512 20 0 DHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(C(=O)[O-])cs3)cc21 ZINC000191349498 337677805 /nfs/dbraw/zinc/67/78/05/337677805.db2.gz SNWPIHMCRQMVNK-UHFFFAOYSA-N -1 0 318.329 3.627 20 0 DHADRM Cc1ccccc1OCCCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191357271 337678255 /nfs/dbraw/zinc/67/82/55/337678255.db2.gz TUCILPQRQJQKMU-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1F ZINC000191363695 337678413 /nfs/dbraw/zinc/67/84/13/337678413.db2.gz RPTJEMVEXWVLQR-SECBINFHSA-N -1 0 307.346 3.718 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000325818597 337740250 /nfs/dbraw/zinc/74/02/50/337740250.db2.gz QZHUFMMKNDZILI-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM C/C=C/c1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000424388931 337829991 /nfs/dbraw/zinc/82/99/91/337829991.db2.gz 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C[C@@H]1C[C@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000431656330 338135703 /nfs/dbraw/zinc/13/57/03/338135703.db2.gz XNFUQUJAYKAXNA-OLZOCXBDSA-N -1 0 319.401 3.551 20 0 DHADRM Cc1cc(Cl)c(C(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1C ZINC000431788743 338138826 /nfs/dbraw/zinc/13/88/26/338138826.db2.gz MQHISJYPEBRRLU-UHFFFAOYSA-N -1 0 323.820 3.720 20 0 DHADRM CC(C)[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431851203 338140128 /nfs/dbraw/zinc/14/01/28/338140128.db2.gz MJQVNFRUQWFZSW-ACJLOTCBSA-N -1 0 313.397 3.764 20 0 DHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(Cl)c1[O-])CC2 ZINC000431868600 338140651 /nfs/dbraw/zinc/14/06/51/338140651.db2.gz NNYGVDPEKYWUCW-GFCCVEGCSA-N -1 0 317.772 3.723 20 0 DHADRM CC[C@@H](CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(C)C ZINC000431979320 338143086 /nfs/dbraw/zinc/14/30/86/338143086.db2.gz CKXDPCLFHBSHRV-ZFWWWQNUSA-N -1 0 305.418 3.961 20 0 DHADRM CCc1ccc([C@H](C)C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432111345 338145922 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DHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)s1 ZINC000436170127 338260314 /nfs/dbraw/zinc/26/03/14/338260314.db2.gz ATBJZVCVHCMDKM-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM CC(C)CN(CCc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000436511496 338274574 /nfs/dbraw/zinc/27/45/74/338274574.db2.gz IKHKAPZUDDUAAH-UHFFFAOYSA-N -1 0 315.388 3.872 20 0 DHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c([O-])cccc2F)C1 ZINC000436510772 338274590 /nfs/dbraw/zinc/27/45/90/338274590.db2.gz GYLNDHADUOWMSS-ABAIWWIYSA-N -1 0 317.335 3.894 20 0 DHADRM O=C(Nc1nc2ccsc2s1)c1cc(F)c([O-])c(F)c1 ZINC000436524871 338275187 /nfs/dbraw/zinc/27/51/87/338275187.db2.gz KWWSULYYJKTFDD-UHFFFAOYSA-N -1 0 312.322 3.594 20 0 DHADRM CCOc1ccc(N(CC)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436531136 338275468 /nfs/dbraw/zinc/27/54/68/338275468.db2.gz COAYGMDVVGFJHN-UHFFFAOYSA-N -1 0 321.323 3.736 20 0 DHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436536755 338275886 /nfs/dbraw/zinc/27/58/86/338275886.db2.gz 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O=C([O-])CCCC(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000575881924 341812622 /nfs/dbraw/zinc/81/26/22/341812622.db2.gz BDQPMGZVFRMOPS-UHFFFAOYSA-N -1 0 310.349 3.726 20 0 DHADRM CC(C)n1ncc2c1nc(/C=C\c1ccsc1)cc2C(=O)[O-] ZINC000576062876 341823724 /nfs/dbraw/zinc/82/37/24/341823724.db2.gz MBHXJIGDLPYJGT-ARJAWSKDSA-N -1 0 313.382 3.942 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000576811271 341864258 /nfs/dbraw/zinc/86/42/58/341864258.db2.gz UTNJGTCNEPWTKD-DYVFJYSZSA-N -1 0 321.417 3.544 20 0 DHADRM CCCN(C(=O)Nc1ccc(SC)cc1)[C@@H](CC)C(=O)[O-] ZINC000577135825 341889508 /nfs/dbraw/zinc/88/95/08/341889508.db2.gz BLVVMKNGQURWOQ-ZDUSSCGKSA-N -1 0 310.419 3.516 20 0 DHADRM O=C([O-])[C@@H]1CCN(CCCc2ccsc2)c2ccccc21 ZINC000580634950 341889689 /nfs/dbraw/zinc/88/96/89/341889689.db2.gz WIXCAUUSUQEBDV-OAHLLOKOSA-N -1 0 301.411 3.759 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccsc1)c1ccccc1 ZINC000577231240 341899194 /nfs/dbraw/zinc/89/91/94/341899194.db2.gz 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Cc1cccc(C2(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c1 ZINC000262101882 524329520 /nfs/dbraw/zinc/32/95/20/524329520.db2.gz GUUKHCBRFXUILG-UHFFFAOYSA-N -1 0 323.392 3.683 20 0 DHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000183968973 525269062 /nfs/dbraw/zinc/26/90/62/525269062.db2.gz XLJDUSMPAMWOHO-BNOWGMLFSA-N -1 0 315.369 3.501 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237472257 525344129 /nfs/dbraw/zinc/34/41/29/525344129.db2.gz GXVNVDAAHQHWBB-AWEZNQCLSA-N -1 0 311.381 3.503 20 0 DHADRM CSCc1ccccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000339344929 525746560 /nfs/dbraw/zinc/74/65/60/525746560.db2.gz BRWPMDDFQJQAIS-UHFFFAOYSA-N -1 0 314.819 3.617 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000262266342 525766753 /nfs/dbraw/zinc/76/67/53/525766753.db2.gz VOQDXMFNPVNSGZ-LBPRGKRZSA-N -1 0 317.410 3.564 20 0 DHADRM Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013173644 525824900 /nfs/dbraw/zinc/82/49/00/525824900.db2.gz 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C/C(=C\CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000736120629 601097870 /nfs/dbraw/zinc/09/78/70/601097870.db2.gz BKXNBWZZZRQKEK-SOFGYWHQSA-N -1 0 310.762 3.513 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1F ZINC000833283715 601128075 /nfs/dbraw/zinc/12/80/75/601128075.db2.gz VCQWGRSWUQQORA-GHMZBOCLSA-N -1 0 321.352 3.570 20 0 DHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828528468 601132740 /nfs/dbraw/zinc/13/27/40/601132740.db2.gz URCPMVKXLGKBOW-CYBMUJFWSA-N -1 0 324.380 3.813 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C(C)(C)C1 ZINC000380381295 601134290 /nfs/dbraw/zinc/13/42/90/601134290.db2.gz PUMLYTAYWFOSMQ-LBPRGKRZSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)c(F)cc1F ZINC000832866603 601136070 /nfs/dbraw/zinc/13/60/70/601136070.db2.gz GWVSRUWSSFMXML-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM Cc1c(C(=O)Nc2cccc(NC(=O)[O-])c2)cnc2ccccc12 ZINC000832851395 601136191 /nfs/dbraw/zinc/13/61/91/601136191.db2.gz 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949172042 /nfs/dbraw/zinc/17/20/42/949172042.db2.gz FBTRMTGAJSXQOW-GPMSIDNRSA-N -1 0 321.461 3.696 20 0 DHADRM CCC1(CC)CCCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001589612444 949333010 /nfs/dbraw/zinc/33/30/10/949333010.db2.gz NKKADRSXQWQBEN-UHFFFAOYSA-N -1 0 319.405 3.604 20 0 DHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)CCCC(=O)[O-] ZINC001589614945 949353628 /nfs/dbraw/zinc/35/36/28/949353628.db2.gz CKKVNDYHAITTQJ-LJQANCHMSA-N -1 0 317.429 3.645 20 0 DHADRM O=C([O-])c1ccc(CSc2nc3ncccc3s2)cc1 ZINC001595233479 949371446 /nfs/dbraw/zinc/37/14/46/949371446.db2.gz WCPPAVKXGYNLNH-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1 ZINC001595233844 949380407 /nfs/dbraw/zinc/38/04/07/949380407.db2.gz UJSYHFSDFDWNGX-UHFFFAOYSA-N -1 0 310.349 3.550 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589621252 949414709 /nfs/dbraw/zinc/41/47/09/949414709.db2.gz HXPQNGFVIWCPHF-CZUORRHYSA-N -1 0 303.402 3.734 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001595243015 949486058 /nfs/dbraw/zinc/48/60/58/949486058.db2.gz JJRVWXYMMRHXBI-DJIMGWMZSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000199429751 949522873 /nfs/dbraw/zinc/52/28/73/949522873.db2.gz SMGFBBNJZVFTPK-TWGQIWQCSA-N -1 0 301.729 3.690 20 0 DHADRM O=C([O-])c1cccc(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC001595248792 949531425 /nfs/dbraw/zinc/53/14/25/949531425.db2.gz IBMJMTHPJAQSHN-QGZVFWFLSA-N -1 0 323.327 3.515 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589640848 949687252 /nfs/dbraw/zinc/68/72/52/949687252.db2.gz KUPSOTLYUZIMJQ-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CCCCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(C)c1 ZINC001589654231 949802818 /nfs/dbraw/zinc/80/28/18/949802818.db2.gz MQHAATAUZLYCDK-SFHVURJKSA-N -1 0 319.401 3.613 20 0 DHADRM CCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC001589659446 949846464 /nfs/dbraw/zinc/84/64/64/949846464.db2.gz 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ZINC000317033890 950897500 /nfs/dbraw/zinc/89/75/00/950897500.db2.gz TWFNMESLKAOULN-SNVBAGLBSA-N -1 0 319.298 3.531 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001602854426 971703814 /nfs/dbraw/zinc/70/38/14/971703814.db2.gz IAQVWGAVVIOCNC-NEPJUHHUSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602854606 971705828 /nfs/dbraw/zinc/70/58/28/971705828.db2.gz PYYQXFDBQQXPIO-KBXIAJHMSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)CCCCNc1nc(C(C)(C)C)ccc1-c1nn[nH]n1 ZINC001574195420 950981744 /nfs/dbraw/zinc/98/17/44/950981744.db2.gz NUYOJCUMDURGEN-UHFFFAOYSA-N -1 0 316.453 3.797 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(=O)[O-] ZINC001602859228 971708163 /nfs/dbraw/zinc/70/81/63/971708163.db2.gz BKVZVCNKHBFLLK-MCIONIFRSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001602859363 971709800 /nfs/dbraw/zinc/70/98/00/971709800.db2.gz ICYWGRZHFIQCQA-GOEBONIOSA-N 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ZINC001595207062 952336047 /nfs/dbraw/zinc/33/60/47/952336047.db2.gz RPLLSYHMURMXRK-MRVPVSSYSA-N -1 0 311.740 3.696 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)NCCCC1CCCCC1 ZINC001594757177 953472677 /nfs/dbraw/zinc/47/26/77/953472677.db2.gz LDQDRRWRTIDVCF-UHFFFAOYSA-N -1 0 318.417 3.545 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000479503973 953524600 /nfs/dbraw/zinc/52/46/00/953524600.db2.gz WDSULGQUNIEKLW-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM C[C@@H]1C[C@@H](CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CC(C)(C)C1 ZINC001589285847 953569640 /nfs/dbraw/zinc/56/96/40/953569640.db2.gz HODFJFSNBDWNLE-MGPQQGTHSA-N -1 0 311.466 3.702 20 0 DHADRM CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000567859513 953637110 /nfs/dbraw/zinc/63/71/10/953637110.db2.gz FVPZNFZKIJYTTC-QPUJVOFHSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C[C@@H]1C ZINC001589299348 953680751 /nfs/dbraw/zinc/68/07/51/953680751.db2.gz JXZYLBCDGNTHNY-HOSILWTGSA-N -1 0 315.413 3.664 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000579790645 953710639 /nfs/dbraw/zinc/71/06/39/953710639.db2.gz CLOKMXGZTUTPCJ-ZDUSSCGKSA-N -1 0 310.369 3.535 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC001589304056 953721135 /nfs/dbraw/zinc/72/11/35/953721135.db2.gz LLGWRUWPBADLBI-SWLSCSKDSA-N -1 0 316.401 3.671 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)NC2CCCCC2)c1Cl ZINC001594803706 953762061 /nfs/dbraw/zinc/76/20/61/953762061.db2.gz DLXVVTNHNUWNMY-UHFFFAOYSA-N -1 0 314.744 3.632 20 0 DHADRM CCc1oc2ccccc2c1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001593658339 953771731 /nfs/dbraw/zinc/77/17/31/953771731.db2.gz SVBWGDMGPAFDGV-UHFFFAOYSA-N -1 0 312.325 3.552 20 0 DHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000621705520 953795126 /nfs/dbraw/zinc/79/51/26/953795126.db2.gz IMRSEOUUYDWPDE-UHFFFAOYSA-N -1 0 322.792 3.503 20 0 DHADRM CCn1cc(CC(=O)Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC001593665216 953830386 /nfs/dbraw/zinc/83/03/86/953830386.db2.gz JWRGTCOWKVSPCO-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CCC[C@@H](C(=O)N(C)CCCC(=O)[O-])c1cccc(Cl)c1 ZINC000630102026 953835486 /nfs/dbraw/zinc/83/54/86/953835486.db2.gz PIEIRAQXGJPFFC-CQSZACIVSA-N -1 0 311.809 3.547 20 0 DHADRM CCC[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000630141084 953840510 /nfs/dbraw/zinc/84/05/10/953840510.db2.gz NKYOJVCOBXDMBF-PBHICJAKSA-N -1 0 323.820 3.547 20 0 DHADRM CC[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000630158795 953843375 /nfs/dbraw/zinc/84/33/75/953843375.db2.gz VBBDAPOGCZSSAU-HOCLYGCPSA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001589319340 953844404 /nfs/dbraw/zinc/84/44/04/953844404.db2.gz IHTUHUOHAJGXEZ-HZSPNIEDSA-N -1 0 318.417 3.650 20 0 DHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000630184762 953846225 /nfs/dbraw/zinc/84/62/25/953846225.db2.gz SAFVDIZEUREAMW-SECBINFHSA-N -1 0 317.332 3.535 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000630568251 953866623 /nfs/dbraw/zinc/86/66/23/953866623.db2.gz PIUNRVAUECXDIW-ZYHUDNBSSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589321183 953878271 /nfs/dbraw/zinc/87/82/71/953878271.db2.gz RDYYKICTIDDGFX-QMMMGPOBSA-N -1 0 314.744 3.584 20 0 DHADRM CN(C(=O)C1(CC(=O)[O-])CCC1)C1CC(C)(C)CC(C)(C)C1 ZINC001593675135 953913770 /nfs/dbraw/zinc/91/37/70/953913770.db2.gz MGGLUQVKRKEARU-UHFFFAOYSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc2occc2s1)C(=O)[O-] ZINC000648449482 953986690 /nfs/dbraw/zinc/98/66/90/953986690.db2.gz ZDMKCGZDGMWUAU-SECBINFHSA-N -1 0 309.387 3.504 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc(-c2ccccn2)cc1)C1CCCC1 ZINC001594836219 954027713 /nfs/dbraw/zinc/02/77/13/954027713.db2.gz QAISCSQTUIFNPG-KRWDZBQOSA-N -1 0 324.380 3.578 20 0 DHADRM O=C([O-])[C@@H](C(=O)O[C@H]1CCSc2ccccc21)C1CCCC1 ZINC001594838897 954060054 /nfs/dbraw/zinc/06/00/54/954060054.db2.gz CVXILBGFXIQWJL-ZFWWWQNUSA-N -1 0 320.410 3.658 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653302400 954112162 /nfs/dbraw/zinc/11/21/62/954112162.db2.gz PZJHFVQQCPLHCF-SCLBCKFNSA-N -1 0 317.385 3.614 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC3(C)C)c2C(=O)[O-])C1 ZINC001589360810 954154249 /nfs/dbraw/zinc/15/42/49/954154249.db2.gz FAIYRYGTBFTOES-WPRPVWTQSA-N -1 0 307.415 3.556 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1sccc1-c1ccc(C)cc1 ZINC000653336583 954169647 /nfs/dbraw/zinc/16/96/47/954169647.db2.gz HZJRVZRVRWYSFL-AWEZNQCLSA-N -1 0 317.410 3.659 20 0 DHADRM CC[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)s1 ZINC000655550808 954200199 /nfs/dbraw/zinc/20/01/99/954200199.db2.gz CXELHSJTOZTKKM-SECBINFHSA-N -1 0 303.811 3.614 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574725 954211420 /nfs/dbraw/zinc/21/14/20/954211420.db2.gz BHIISJQRSYNFSR-LEWSCRJBSA-N -1 0 323.820 3.514 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CC2(C1)CCCCC2 ZINC000659146621 954310821 /nfs/dbraw/zinc/31/08/21/954310821.db2.gz VLRIEQHNSVCVCB-OAHLLOKOSA-N -1 0 307.434 3.593 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(c2nc3cccc(F)c3s2)C1 ZINC000662887977 954399800 /nfs/dbraw/zinc/39/98/00/954399800.db2.gz UZVTUSMVUIZGRD-SNVBAGLBSA-N -1 0 308.378 3.517 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000663054843 954426818 /nfs/dbraw/zinc/42/68/18/954426818.db2.gz QZZHAMGDDHOAEF-UKRRQHHQSA-N -1 0 313.397 3.562 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000663054842 954426884 /nfs/dbraw/zinc/42/68/84/954426884.db2.gz QZZHAMGDDHOAEF-HIFRSBDPSA-N -1 0 313.397 3.562 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4c(cccc4C4CC4)[nH]3)n2)CCC1 ZINC001594884727 954451645 /nfs/dbraw/zinc/45/16/45/954451645.db2.gz LXQPNFMEGUEPFM-UHFFFAOYSA-N -1 0 323.352 3.602 20 0 DHADRM O=C([O-])C1(c2noc(-c3cccc(-c4ccoc4)c3)n2)CCC1 ZINC001594886903 954472977 /nfs/dbraw/zinc/47/29/77/954472977.db2.gz HRJRGYKPSLRXGU-UHFFFAOYSA-N -1 0 310.309 3.503 20 0 DHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000668300170 954566980 /nfs/dbraw/zinc/56/69/80/954566980.db2.gz CQFXEFVFVLOBFM-KSSFIOAISA-N -1 0 323.392 3.711 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676216980 954584256 /nfs/dbraw/zinc/58/42/56/954584256.db2.gz OZSLOLZEELSEEB-JKSUJKDBSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000681680058 954598277 /nfs/dbraw/zinc/59/82/77/954598277.db2.gz WWBBOWTUCMYZLR-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CC(C)[C@H](SCCC(=O)[O-])C(=O)Nc1ccccc1Cl ZINC001602993496 972030773 /nfs/dbraw/zinc/03/07/73/972030773.db2.gz MIVWPMBOASYGLU-ZDUSSCGKSA-N -1 0 315.822 3.511 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc2c(cccc2F)s1 ZINC000386223711 972036830 /nfs/dbraw/zinc/03/68/30/972036830.db2.gz FWHHKGNAYZPFMR-LBPRGKRZSA-N -1 0 321.373 3.510 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001589448263 954785184 /nfs/dbraw/zinc/78/51/84/954785184.db2.gz ZVGARLFQXZRBDX-MDPANVJJSA-N -1 0 309.450 3.599 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001589451637 954804016 /nfs/dbraw/zinc/80/40/16/954804016.db2.gz JLZXUMIGWIBURX-HUUCEWRRSA-N -1 0 304.386 3.528 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001589455543 954816069 /nfs/dbraw/zinc/81/60/69/954816069.db2.gz HIZPYIGTXSCPQK-ZNMIVQPWSA-N -1 0 317.429 3.739 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C(C)(C)C ZINC001589464763 954893465 /nfs/dbraw/zinc/89/34/65/954893465.db2.gz XGYWPOLUFZIIAV-HOCLYGCPSA-N -1 0 305.418 3.699 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000386410947 972050924 /nfs/dbraw/zinc/05/09/24/972050924.db2.gz NIEWFTYWDSJNJQ-YFHOEESVSA-N -1 0 315.756 3.619 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(c2ccccc2)CCCC1 ZINC001589473757 954938444 /nfs/dbraw/zinc/93/84/44/954938444.db2.gz LFGKOBYBEJOBMQ-UHFFFAOYSA-N -1 0 317.429 3.506 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(Cl)cc1Cl ZINC001589474080 954944858 /nfs/dbraw/zinc/94/48/58/954944858.db2.gz MVVOBOHWBRVTFH-UHFFFAOYSA-N -1 0 318.200 3.501 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2c(Cl)cccc2n1 ZINC001589479898 954966810 /nfs/dbraw/zinc/96/68/10/954966810.db2.gz HGVILJDCAMHMLO-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC)c2ccccc12 ZINC001589479893 954967440 /nfs/dbraw/zinc/96/74/40/954967440.db2.gz GNJFQPMXFSBEOD-UHFFFAOYSA-N -1 0 315.369 3.678 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC001589481340 954978327 /nfs/dbraw/zinc/97/83/27/954978327.db2.gz VMYYUHLMUSRRQV-AWEZNQCLSA-N -1 0 320.385 3.723 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cccc(C(F)(F)F)c1 ZINC001589483644 954989952 /nfs/dbraw/zinc/98/99/52/954989952.db2.gz OKYCIXYRJXUDME-UHFFFAOYSA-N -1 0 304.264 3.502 20 0 DHADRM CCC(CC)(CNC(=O)N[C@@](C)(CC)c1ccccc1)C(=O)[O-] ZINC001589489480 955010285 /nfs/dbraw/zinc/01/02/85/955010285.db2.gz OFEQNUXKKAZEKW-KRWDZBQOSA-N -1 0 320.433 3.502 20 0 DHADRM CCC(CC)(CNC(=O)NCC1CCCCCCC1)C(=O)[O-] ZINC001589493460 955014113 /nfs/dbraw/zinc/01/41/13/955014113.db2.gz HEZLYRWNXFZZTF-UHFFFAOYSA-N -1 0 312.454 3.537 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001589514013 955055602 /nfs/dbraw/zinc/05/56/02/955055602.db2.gz AAEFVAYVXJQQKZ-FVQBIDKESA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H]2CCCCC23CCCC3)co1 ZINC001594969827 955098561 /nfs/dbraw/zinc/09/85/61/955098561.db2.gz NJPOAACLQQNXET-LFAOLKIESA-N -1 0 317.385 3.610 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001603021517 972080499 /nfs/dbraw/zinc/08/04/99/972080499.db2.gz LCSYSVOUERWZKC-QWHCGFSZSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603018302 972076095 /nfs/dbraw/zinc/07/60/95/972076095.db2.gz NESBZAPUNFSVGG-CQSZACIVSA-N -1 0 319.405 3.602 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000761723708 955313744 /nfs/dbraw/zinc/31/37/44/955313744.db2.gz GAUGSTGCWJTNBZ-UQTJOTSZSA-N -1 0 323.820 3.606 20 0 DHADRM CC(C)C[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC001603032489 972093710 /nfs/dbraw/zinc/09/37/10/972093710.db2.gz KEHWMGFPGFGGAY-MRXNPFEDSA-N -1 0 319.445 3.651 20 0 DHADRM CC(C)C[C@H](CNC(=O)/C=C/Sc1ccccc1)CC(=O)[O-] ZINC001603042258 972105393 /nfs/dbraw/zinc/10/53/93/972105393.db2.gz NJKPGUIQHOBAQK-VFNNOXKTSA-N -1 0 321.442 3.546 20 0 DHADRM COc1cc(NC2CCC(C(=O)[O-])CC2)ccc1OC(C)C ZINC000840995036 955582665 /nfs/dbraw/zinc/58/26/65/955582665.db2.gz JHKZVUQQXNUVPI-UHFFFAOYSA-N -1 0 307.390 3.538 20 0 DHADRM CCN(C(=O)CCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000844246618 955660303 /nfs/dbraw/zinc/66/03/03/955660303.db2.gz KEYIUVREAXOJLE-LBPRGKRZSA-N -1 0 303.358 3.597 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)/C=C/C2CCCCCC2)CC1 ZINC000846118567 955684062 /nfs/dbraw/zinc/68/40/62/955684062.db2.gz PKMWSQZHSSIMLS-VQHVLOKHSA-N -1 0 307.434 3.616 20 0 DHADRM Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1C(=O)[O-] ZINC000387322161 972117905 /nfs/dbraw/zinc/11/79/05/972117905.db2.gz RIIGVYYVYJNCBM-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CC(C)C[C@H](Nc1ccnc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001603054398 972120334 /nfs/dbraw/zinc/12/03/34/972120334.db2.gz UHOWJTKFFUUUTO-ZDUSSCGKSA-N -1 0 319.792 3.708 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001603054518 972121831 /nfs/dbraw/zinc/12/18/31/972121831.db2.gz XYUAEDUHHGVZES-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000852945141 955862038 /nfs/dbraw/zinc/86/20/38/955862038.db2.gz NSGGQZGLNIROSL-HZPDHXFCSA-N -1 0 317.429 3.578 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N(CC2CCCCC2)C2CC2)o1 ZINC000864105062 955933951 /nfs/dbraw/zinc/93/39/51/955933951.db2.gz IMAKIQGLXBZNRP-LUAWRHEFSA-N -1 0 317.385 3.562 20 0 DHADRM Cc1ccc(-c2ccccc2NC(=O)N(C)CCC(=O)[O-])s1 ZINC000864606260 956007611 /nfs/dbraw/zinc/00/76/11/956007611.db2.gz CCRBXMNOSSZDOG-UHFFFAOYSA-N -1 0 318.398 3.662 20 0 DHADRM C[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001589108213 956040467 /nfs/dbraw/zinc/04/04/67/956040467.db2.gz GKTPLNXUYBEVNZ-QWHCGFSZSA-N -1 0 312.369 3.699 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCCCC2)c2ccccc21 ZINC000388588765 972179577 /nfs/dbraw/zinc/17/95/77/972179577.db2.gz HQZKPWGTFDLPCW-OAHLLOKOSA-N -1 0 301.386 3.562 20 0 DHADRM CC(C)[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC001589169201 956453959 /nfs/dbraw/zinc/45/39/59/956453959.db2.gz WPNJUYBCLIFMGR-JOYOIKCWSA-N -1 0 315.822 3.509 20 0 DHADRM CC(C)[C@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC001589169200 956454387 /nfs/dbraw/zinc/45/43/87/956454387.db2.gz WPNJUYBCLIFMGR-CABZTGNLSA-N -1 0 315.822 3.509 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCCCc1ccc(Cl)cc1 ZINC001589184208 956551784 /nfs/dbraw/zinc/55/17/84/956551784.db2.gz PUABMKGPMNYYRB-QGZVFWFLSA-N -1 0 323.820 3.519 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc(Cl)c1F ZINC001589187237 956566116 /nfs/dbraw/zinc/56/61/16/956566116.db2.gz NIQQBDDTPDQYJK-CYBMUJFWSA-N -1 0 306.164 3.572 20 0 DHADRM O=C(/C=C\Sc1ccccc1)Nc1sccc1C(=O)[O-] ZINC001594670038 956610980 /nfs/dbraw/zinc/61/09/80/956610980.db2.gz LTLSRIFQWNDCLX-CLFYSBASSA-N -1 0 305.380 3.691 20 0 DHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCC1CCCCCC1 ZINC001594679799 956692550 /nfs/dbraw/zinc/69/25/50/956692550.db2.gz PGYDDUJFIQVNHL-QGZVFWFLSA-N -1 0 317.429 3.549 20 0 DHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(F)c(C(F)F)c2)CC=CCC1 ZINC000902413827 956718708 /nfs/dbraw/zinc/71/87/08/956718708.db2.gz ZJNGNDAOELXBHB-HNNXBMFYSA-N -1 0 313.275 3.513 20 0 DHADRM O=C([O-])c1ccc(COC(=O)CCSc2ccccc2)cc1 ZINC001594687956 956722495 /nfs/dbraw/zinc/72/24/95/956722495.db2.gz UIELBIKODJFBSR-UHFFFAOYSA-N -1 0 316.378 3.610 20 0 DHADRM CC1(C)CCC(=CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001589219400 956755476 /nfs/dbraw/zinc/75/54/76/956755476.db2.gz BODDPBJHDOQCQM-UHFFFAOYSA-N -1 0 303.358 3.556 20 0 DHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001589226108 956796854 /nfs/dbraw/zinc/79/68/54/956796854.db2.gz YDJAPJPCTRIRKK-ARFHVFGLSA-N -1 0 321.461 3.552 20 0 DHADRM CCC(CC)c1cc(CNCc2ccc(C(=O)[O-])s2)on1 ZINC000903678551 956859156 /nfs/dbraw/zinc/85/91/56/956859156.db2.gz OOLMIVVZOBLELB-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM Cc1c(NCc2ccc(C(=O)[O-])s2)cnn1C1CCCC1 ZINC000903684730 956863045 /nfs/dbraw/zinc/86/30/45/956863045.db2.gz HEEWXZLUWPNODC-UHFFFAOYSA-N -1 0 305.403 3.678 20 0 DHADRM O=C([O-])C1(CC[N@H+](Cc2c(F)cccc2F)C2CC2)CCC1 ZINC000903700834 956890390 /nfs/dbraw/zinc/89/03/90/956890390.db2.gz HODJWUPGEUQHGL-UHFFFAOYSA-N -1 0 309.356 3.574 20 0 DHADRM CC1(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCCCC1 ZINC001589244308 956897739 /nfs/dbraw/zinc/89/77/39/956897739.db2.gz BERCDWSRLLQRKH-OAHLLOKOSA-N -1 0 324.465 3.633 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000013169888 956953497 /nfs/dbraw/zinc/95/34/97/956953497.db2.gz FMHYUNPGMXUFSH-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC000909480363 957021207 /nfs/dbraw/zinc/02/12/07/957021207.db2.gz BSRYGCNKKOKFIP-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCCC[C@H]3CC(=O)[O-])cc2c1 ZINC000909499721 957024014 /nfs/dbraw/zinc/02/40/14/957024014.db2.gz XUUSBUAGNATDAE-ZDUSSCGKSA-N -1 0 317.410 3.679 20 0 DHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc(Cl)c1 ZINC000013390318 957043390 /nfs/dbraw/zinc/04/33/90/957043390.db2.gz CNKWMUYRNKVSAK-UHFFFAOYSA-N -1 0 315.756 3.631 20 0 DHADRM CC[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000013390513 957044865 /nfs/dbraw/zinc/04/48/65/957044865.db2.gz DBBGYUUYAJIAME-OAHLLOKOSA-N -1 0 323.392 3.858 20 0 DHADRM Cc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(C)c1 ZINC000013390462 957045519 /nfs/dbraw/zinc/04/55/19/957045519.db2.gz LSWSPYGMGNWUNC-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM O=C([O-])Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000013420820 957066213 /nfs/dbraw/zinc/06/62/13/957066213.db2.gz ACZPTHPRZYGJAT-UHFFFAOYSA-N -1 0 310.271 3.912 20 0 DHADRM CN(C(=O)c1cc2c(s1)CCCC2)c1ccccc1C(=O)[O-] ZINC000013440521 957077257 /nfs/dbraw/zinc/07/72/57/957077257.db2.gz XEJQHGWDIYVIOW-UHFFFAOYSA-N -1 0 315.394 3.602 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@H](C)c1ccccc1 ZINC000013813044 957095577 /nfs/dbraw/zinc/09/55/77/957095577.db2.gz ZJPLFZQUZPCEJM-GFCCVEGCSA-N -1 0 314.410 3.741 20 0 DHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c(C(=O)[O-])c1 ZINC000021791271 957150805 /nfs/dbraw/zinc/15/08/05/957150805.db2.gz UKFDACQFACTNNJ-UHFFFAOYSA-N -1 0 313.140 3.580 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000033454927 957183851 /nfs/dbraw/zinc/18/38/51/957183851.db2.gz LMSHHWMWZANXCU-DYVFJYSZSA-N -1 0 311.381 3.583 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000033462078 957185087 /nfs/dbraw/zinc/18/50/87/957185087.db2.gz KBQHVPQMUSQMFK-WBMJQRKESA-N -1 0 323.458 3.518 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)o2)ccc1Cl ZINC000037403779 957275962 /nfs/dbraw/zinc/27/59/62/957275962.db2.gz XPEWCHXTMVNPSX-UHFFFAOYSA-N -1 0 300.097 3.537 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000037403937 957276148 /nfs/dbraw/zinc/27/61/48/957276148.db2.gz ISMQOZQHUXHDIE-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2F)ccc1Cl ZINC000037403939 957276490 /nfs/dbraw/zinc/27/64/90/957276490.db2.gz GEVJKZJUVODKHG-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM Cc1oc(CSc2ncnc3ccccc32)cc1C(=O)[O-] ZINC000037489396 957304938 /nfs/dbraw/zinc/30/49/38/957304938.db2.gz WIIUCFBIOMVIIL-UHFFFAOYSA-N -1 0 300.339 3.522 20 0 DHADRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000040530637 957372762 /nfs/dbraw/zinc/37/27/62/957372762.db2.gz FHNLZNHOHZPOJU-UHFFFAOYSA-N -1 0 304.733 3.707 20 0 DHADRM Cc1cc(CSc2nnc(-c3cccs3)o2)oc1C(=O)[O-] ZINC000042899116 957429468 /nfs/dbraw/zinc/42/94/68/957429468.db2.gz LKWNESONNQDZEE-UHFFFAOYSA-N -1 0 322.367 3.690 20 0 DHADRM C[C@@H](CCc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000044483011 957444859 /nfs/dbraw/zinc/44/48/59/957444859.db2.gz GLHFRYSBADIJKZ-NSHDSACASA-N -1 0 304.777 3.866 20 0 DHADRM CC(C)(C)c1cnc(COc2ccc(C(=O)[O-])cc2Cl)o1 ZINC000048763546 957460094 /nfs/dbraw/zinc/46/00/94/957460094.db2.gz PVXGLRUGUOUDHY-UHFFFAOYSA-N -1 0 309.749 3.903 20 0 DHADRM CCc1ccsc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000048787008 957460820 /nfs/dbraw/zinc/46/08/20/957460820.db2.gz BZHSGAPOWJATKZ-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055150069 957543378 /nfs/dbraw/zinc/54/33/78/957543378.db2.gz KQPWCQOHPBFUEE-GFCCVEGCSA-N -1 0 317.385 3.809 20 0 DHADRM O=C([O-])c1cccc(CSc2ccc(Br)cn2)c1 ZINC000070213556 957664721 /nfs/dbraw/zinc/66/47/21/957664721.db2.gz WCOLERJTMDGRIZ-UHFFFAOYSA-N -1 0 324.199 3.835 20 0 DHADRM Cc1cc2c(ncnc2S[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000071569086 957726353 /nfs/dbraw/zinc/72/63/53/957726353.db2.gz SWYDGUGBDRPPRV-LBPRGKRZSA-N -1 0 316.407 3.918 20 0 DHADRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)cc1Cl ZINC001594281054 957743252 /nfs/dbraw/zinc/74/32/52/957743252.db2.gz KLZVXOUAJZBUGV-UHFFFAOYSA-N -1 0 317.772 3.585 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2cccc(C)c2C)c1 ZINC001594281570 957752030 /nfs/dbraw/zinc/75/20/30/957752030.db2.gz VLKNSYQIXBYVTC-UHFFFAOYSA-N -1 0 311.381 3.582 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2Cc3ccccc3C(C)(C)C2)c1 ZINC001594287019 957787863 /nfs/dbraw/zinc/78/78/63/957787863.db2.gz SNNNKCBMTBXPFB-UHFFFAOYSA-N -1 0 323.392 3.627 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCc3sccc32)c1 ZINC001594286993 957787917 /nfs/dbraw/zinc/78/79/17/957787917.db2.gz SICJWRUNDIWHFM-AWEZNQCLSA-N -1 0 315.394 3.562 20 0 DHADRM Cc1cccc([C@H](C)CNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594287199 957788955 /nfs/dbraw/zinc/78/89/55/957788955.db2.gz VKTAOYZDOWYWLJ-CQSZACIVSA-N -1 0 311.381 3.535 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594287198 957789143 /nfs/dbraw/zinc/78/91/43/957789143.db2.gz VKTAOYZDOWYWLJ-AWEZNQCLSA-N -1 0 311.381 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC001574795751 957817517 /nfs/dbraw/zinc/81/75/17/957817517.db2.gz ITPQVUHFFNVCBF-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N(c2ccccc2)C2CCC2)o1 ZINC001574799874 957832795 /nfs/dbraw/zinc/83/27/95/957832795.db2.gz LSIIQOUAFWPVAL-BENRWUELSA-N -1 0 311.337 3.577 20 0 DHADRM O=C([O-])c1cncc(NC(=O)c2ccc(C3=CCCC3)cc2)c1 ZINC001574819001 957899600 /nfs/dbraw/zinc/89/96/00/957899600.db2.gz VOTIGIBLMQPZJV-UHFFFAOYSA-N -1 0 308.337 3.599 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)OC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594310587 958011243 /nfs/dbraw/zinc/01/12/43/958011243.db2.gz XKTQYLQRJSKHPL-XHDPSFHLSA-N -1 0 308.349 3.629 20 0 DHADRM O=C([O-])c1cncc(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000091408144 958142348 /nfs/dbraw/zinc/14/23/48/958142348.db2.gz UPGZTCVAKMZLEQ-UHFFFAOYSA-N -1 0 319.531 3.927 20 0 DHADRM Cc1cc(NC(=O)c2nsc3ccccc32)ccc1C(=O)[O-] ZINC001594324988 958156670 /nfs/dbraw/zinc/15/66/70/958156670.db2.gz ONUHUGYVQRLYGD-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cc(NCc2ccc(C(=O)[O-])s2)nn1-c1ccccc1 ZINC001594325810 958171895 /nfs/dbraw/zinc/17/18/95/958171895.db2.gz LFTQVUFIHHXEHH-UHFFFAOYSA-N -1 0 313.382 3.553 20 0 DHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)CCC(=O)[O-])o1 ZINC001594334357 958253523 /nfs/dbraw/zinc/25/35/23/958253523.db2.gz UBVIGDMDHXJKHM-UHFFFAOYSA-N -1 0 307.733 3.712 20 0 DHADRM Cc1ccc(-c2cnc(NC(=O)CCCC(=O)[O-])s2)c(C)c1 ZINC001594335777 958264119 /nfs/dbraw/zinc/26/41/19/958264119.db2.gz JTYUIMCHDFRNAN-UHFFFAOYSA-N -1 0 318.398 3.620 20 0 DHADRM CC[C@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000094218606 958264662 /nfs/dbraw/zinc/26/46/62/958264662.db2.gz DHFLAFINERZHTB-AWEZNQCLSA-N -1 0 311.790 3.538 20 0 DHADRM Cc1sc(NC(=O)c2ccc(C)cc2F)c(C(=O)[O-])c1C ZINC000094913394 958322035 /nfs/dbraw/zinc/32/20/35/958322035.db2.gz VXPYCNSPIJEHQO-UHFFFAOYSA-N -1 0 307.346 3.763 20 0 DHADRM CC(C)(C)c1csc(CSc2ncccc2C(=O)[O-])n1 ZINC000094964207 958324638 /nfs/dbraw/zinc/32/46/38/958324638.db2.gz DYXWTNJFECZRAS-UHFFFAOYSA-N -1 0 308.428 3.826 20 0 DHADRM Cc1c(C(=O)Nc2cccnc2C(=O)[O-])oc2c1c(C)ccc2C ZINC001594353272 958380570 /nfs/dbraw/zinc/38/05/70/958380570.db2.gz MQVZBFMQGBZVES-UHFFFAOYSA-N -1 0 324.336 3.704 20 0 DHADRM Cc1ccc(CN(C(=O)CCCC(=O)[O-])c2ccc(F)cc2)o1 ZINC001594359052 958436211 /nfs/dbraw/zinc/43/62/11/958436211.db2.gz UAAVJVBYPKRVIP-UHFFFAOYSA-N -1 0 319.332 3.515 20 0 DHADRM COc1ccc(NCc2ccc(C(=O)[O-])s2)c2cccnc12 ZINC001594105411 958462620 /nfs/dbraw/zinc/46/26/20/958462620.db2.gz LPPHAEOWPIGJPU-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594363387 958473439 /nfs/dbraw/zinc/47/34/39/958473439.db2.gz UNEDMBPMJGEMPW-SOFGYWHQSA-N -1 0 319.744 3.616 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001573339649 958532181 /nfs/dbraw/zinc/53/21/81/958532181.db2.gz HCCYUYTWXNTUED-VDDAWLKTSA-N -1 0 309.450 3.622 20 0 DHADRM Cc1ccc(OC(=O)c2cccc(C(=O)[O-])c2)c2c1[C@H](C)CC2=O ZINC001594374524 958577225 /nfs/dbraw/zinc/57/72/25/958577225.db2.gz PRFFCDNZXSIILI-LLVKDONJSA-N -1 0 324.332 3.602 20 0 DHADRM Cc1ccc2nc(C(=O)OCc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC001594383265 958651169 /nfs/dbraw/zinc/65/11/69/958651169.db2.gz TVAPQGQLNBEHKE-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM Cc1ccc2ncc(COC(=O)c3cccc(C(=O)[O-])c3)cc2c1 ZINC001594385570 958659375 /nfs/dbraw/zinc/65/93/75/958659375.db2.gz YKWBWKAXLLJPCX-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM Cc1cccc([C@H](NC(=O)/C(F)=C\C2CCCCC2)C(=O)[O-])c1 ZINC001594390620 958712179 /nfs/dbraw/zinc/71/21/79/958712179.db2.gz YPRHHDSRWZBLCE-SFKKXYGYSA-N -1 0 319.376 3.671 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc2c(F)cccc2c1 ZINC001594390951 958719060 /nfs/dbraw/zinc/71/90/60/958719060.db2.gz KTIYGMMQSMVJKP-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)c2ncccc2c1 ZINC001594391007 958719642 /nfs/dbraw/zinc/71/96/42/958719642.db2.gz NPPINESYAHLMCG-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CCC2CCCCC2)C(=O)[O-])c1 ZINC001594392048 958739890 /nfs/dbraw/zinc/73/98/90/958739890.db2.gz NRCKCTRKXCZBMH-QGZVFWFLSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc(C)c1CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594400861 958854223 /nfs/dbraw/zinc/85/42/23/958854223.db2.gz VLQKXIZQDCZBSZ-UHFFFAOYSA-N -1 0 312.369 3.666 20 0 DHADRM CC(C)(C)OCc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001573458177 958913247 /nfs/dbraw/zinc/91/32/47/958913247.db2.gz RXLFHEAERMGDGZ-UHFFFAOYSA-N -1 0 319.401 3.585 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC001588562305 959107427 /nfs/dbraw/zinc/10/74/27/959107427.db2.gz HLYYNTOGQSCMRR-LBPRGKRZSA-N -1 0 317.772 3.594 20 0 DHADRM C[C@@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588562977 959110092 /nfs/dbraw/zinc/11/00/92/959110092.db2.gz NFTTWNSTBIUVFL-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM CC(C)COc1ccc([C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001573524938 959141333 /nfs/dbraw/zinc/14/13/33/959141333.db2.gz PQELQNVFEBHJNJ-CZUORRHYSA-N -1 0 322.401 3.682 20 0 DHADRM CC(C)Cc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573544245 959200523 /nfs/dbraw/zinc/20/05/23/959200523.db2.gz WHSHUVQXDFSAAP-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001573547161 959215362 /nfs/dbraw/zinc/21/53/62/959215362.db2.gz KNRPCEDTGDHMPX-UHFFFAOYSA-N -1 0 315.344 3.575 20 0 DHADRM Cc1csc(CNc2ccc(F)c(C(=O)[O-])c2Cl)n1 ZINC001594438356 959256729 /nfs/dbraw/zinc/25/67/29/959256729.db2.gz TZOFSJIHUVSUEG-UHFFFAOYSA-N -1 0 300.742 3.554 20 0 DHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573580611 959352670 /nfs/dbraw/zinc/35/26/70/959352670.db2.gz PXOJNXGSXOUIOI-GFCCVEGCSA-N -1 0 315.344 3.731 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000168980833 959395976 /nfs/dbraw/zinc/39/59/76/959395976.db2.gz OWFXWFLWSNMABM-UHFFFAOYSA-N -1 0 323.698 3.942 20 0 DHADRM Cc1csc2nc(C)nc(Oc3ccc(CC(=O)[O-])cc3)c12 ZINC001594460491 959452647 /nfs/dbraw/zinc/45/26/47/959452647.db2.gz XPVFJIZDTRTVQX-UHFFFAOYSA-N -1 0 314.366 3.728 20 0 DHADRM Cc1nc2ccccc2c(SCCC2(C(=O)[O-])CCC2)n1 ZINC001594460662 959456697 /nfs/dbraw/zinc/45/66/97/959456697.db2.gz KLIZBVKKIYXVKU-UHFFFAOYSA-N -1 0 302.399 3.675 20 0 DHADRM Cc1ccc([C@H]2CCCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190644488 959516438 /nfs/dbraw/zinc/51/64/38/959516438.db2.gz WLHJDZOXEJMENS-MRXNPFEDSA-N -1 0 317.429 3.940 20 0 DHADRM CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000190655846 959516825 /nfs/dbraw/zinc/51/68/25/959516825.db2.gz DPGKOLBNGXNHCN-HNNXBMFYSA-N -1 0 319.445 3.750 20 0 DHADRM CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000190655869 959516890 /nfs/dbraw/zinc/51/68/90/959516890.db2.gz DPGKOLBNGXNHCN-OAHLLOKOSA-N -1 0 319.445 3.750 20 0 DHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1cccc(OC(F)F)c1 ZINC001594243556 959550422 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Cc1c(F)c(F)ccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594263940 959728456 /nfs/dbraw/zinc/72/84/56/959728456.db2.gz ASLBDXCXEXQIJI-UHFFFAOYSA-N -1 0 311.328 3.637 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCCCCC2)C[C@@H](C)C1 ZINC001573698898 959810195 /nfs/dbraw/zinc/81/01/95/959810195.db2.gz QBTKSBNSKCMHTM-FICVDOATSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573700316 959827163 /nfs/dbraw/zinc/82/71/63/959827163.db2.gz DKNHDEJGCUZKJP-PSASIEDQSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001573711294 959851874 /nfs/dbraw/zinc/85/18/74/959851874.db2.gz KXJYEBBQYVIDAX-YYAJDYIMSA-N -1 0 321.461 3.622 20 0 DHADRM CSc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1C ZINC001574257229 960538947 /nfs/dbraw/zinc/53/89/47/960538947.db2.gz FEEJHSMMXKYQIJ-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001574273939 960613811 /nfs/dbraw/zinc/61/38/11/960613811.db2.gz QDCMQNIOVPETAA-QMTHXVAHSA-N -1 0 323.820 3.715 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001573767576 960625806 /nfs/dbraw/zinc/62/58/06/960625806.db2.gz BODYWKHECNCKQO-CZJPOVKDSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC001573768531 960644172 /nfs/dbraw/zinc/64/41/72/960644172.db2.gz OALXQDBOJXVWIS-INIZCTEOSA-N -1 0 303.402 3.670 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1F ZINC000236480944 960667538 /nfs/dbraw/zinc/66/75/38/960667538.db2.gz ZXNLZLFEBDWGKB-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001573777921 960706217 /nfs/dbraw/zinc/70/62/17/960706217.db2.gz JUXDNXCZBQPCOY-JKSUJKDBSA-N -1 0 317.429 3.578 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(C)c2ccccc12 ZINC001573778211 960710694 /nfs/dbraw/zinc/71/06/94/960710694.db2.gz VQUZXHQCDHNJRP-UHFFFAOYSA-N -1 0 313.397 3.655 20 0 DHADRM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236638152 960721128 /nfs/dbraw/zinc/72/11/28/960721128.db2.gz GHTCKTPIVVSQBL-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236689924 960732948 /nfs/dbraw/zinc/73/29/48/960732948.db2.gz QKOVFPHOXQEKCM-CYBMUJFWSA-N -1 0 317.410 3.616 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1 ZINC000236743605 960749126 /nfs/dbraw/zinc/74/91/26/960749126.db2.gz UGCZHSNMMBISBA-UHFFFAOYSA-N -1 0 318.200 3.566 20 0 DHADRM CCCCCOc1ccc(C(=O)N[C@](C)(CC)CC(=O)[O-])cc1 ZINC000236765868 960754412 /nfs/dbraw/zinc/75/44/12/960754412.db2.gz HLJYVHKQSMLXRX-GOSISDBHSA-N -1 0 321.417 3.629 20 0 DHADRM CC1(CC(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC001262177664 960816005 /nfs/dbraw/zinc/81/60/05/960816005.db2.gz CERBYLSNKREMOZ-INIZCTEOSA-N -1 0 311.381 3.662 20 0 DHADRM Cc1cc(C)c2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc2n1 ZINC001574321701 960825883 /nfs/dbraw/zinc/82/58/83/960825883.db2.gz BXRCJWHWYVHZSA-IBGZPJMESA-N -1 0 324.380 3.601 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000237050181 960854029 /nfs/dbraw/zinc/85/40/29/960854029.db2.gz RRDKVLWHQDLSQY-NSHDSACASA-N -1 0 307.733 3.512 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000237085085 960867962 /nfs/dbraw/zinc/86/79/62/960867962.db2.gz MXDCQPZUXAAZHO-UHFFFAOYSA-N -1 0 311.381 3.959 20 0 DHADRM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC001263626339 960872902 /nfs/dbraw/zinc/87/29/02/960872902.db2.gz SYKUHATWXRKSLW-TXEJJXNPSA-N -1 0 319.426 3.771 20 0 DHADRM CC[C@@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573813710 960918380 /nfs/dbraw/zinc/91/83/80/960918380.db2.gz PGJJHDQFRPVXNK-GIPNMCIBSA-N -1 0 314.740 3.584 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccccc1F ZINC001319323755 960939679 /nfs/dbraw/zinc/93/96/79/960939679.db2.gz DGYMNZHNFQPGRB-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM CCC[C@@H]1CCc2nc(NC(=O)CCCCC(=O)[O-])sc2C1 ZINC000655551480 1013215949 /nfs/dbraw/zinc/21/59/49/1013215949.db2.gz XEALTZYVGOZZJI-LLVKDONJSA-N -1 0 324.446 3.632 20 0 DHADRM Cc1cccc(F)c1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001320773178 960988261 /nfs/dbraw/zinc/98/82/61/960988261.db2.gz JRYWAQZSHRZYSQ-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237676702 960993681 /nfs/dbraw/zinc/99/36/81/960993681.db2.gz DXWYQCCBOQPPLY-QGZVFWFLSA-N -1 0 309.365 3.671 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001574357039 961007940 /nfs/dbraw/zinc/00/79/40/961007940.db2.gz LLKNJQQURCUOLZ-YXVBKTCISA-N -1 0 313.353 3.519 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573840700 961068448 /nfs/dbraw/zinc/06/84/48/961068448.db2.gz HECGBVPNYHHODJ-OCCSQVGLSA-N -1 0 319.405 3.508 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000238011929 961074675 /nfs/dbraw/zinc/07/46/75/961074675.db2.gz KXEXOOAHCTVIPO-SFHVURJKSA-N -1 0 321.376 3.677 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1C ZINC001574374176 961079306 /nfs/dbraw/zinc/07/93/06/961079306.db2.gz MZUSFMWAGXOWNM-CMPLNLGQSA-N -1 0 324.808 3.531 20 0 DHADRM CCCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC001573841713 961089874 /nfs/dbraw/zinc/08/98/74/961089874.db2.gz ZWFCBCVGAHANND-MRXNPFEDSA-N -1 0 318.417 3.543 20 0 DHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001573848489 961111013 /nfs/dbraw/zinc/11/10/13/961111013.db2.gz GHTRYODNBXTZJC-OAHLLOKOSA-N -1 0 323.820 3.580 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(=O)[O-])c1 ZINC001574386843 961134612 /nfs/dbraw/zinc/13/46/12/961134612.db2.gz BDPBPEAXMORZKD-YDHLFZDLSA-N -1 0 305.418 3.555 20 0 DHADRM CCCSc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001573865294 961190912 /nfs/dbraw/zinc/19/09/12/961190912.db2.gz XAGPCVJDOUVJFF-UHFFFAOYSA-N -1 0 316.382 3.534 20 0 DHADRM CCCc1ccc([C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC001573865288 961190969 /nfs/dbraw/zinc/19/09/69/961190969.db2.gz WQZYOTKUSQLQHK-BBWFWOEESA-N -1 0 317.429 3.563 20 0 DHADRM Cc1cccc([C@H](NCc2cnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001574394883 961200392 /nfs/dbraw/zinc/20/03/92/961200392.db2.gz HOEQJBRZRAGLJH-KRWDZBQOSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1cccc2ncnc(N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c12 ZINC001574403489 961248218 /nfs/dbraw/zinc/24/82/18/961248218.db2.gz UYZFSLCZNCSNJA-ZBFHGGJFSA-N -1 0 319.364 3.663 20 0 DHADRM CC1CCN(c2cccc(NC(=O)CCCCC(=O)[O-])c2)CC1 ZINC000655554920 1013245723 /nfs/dbraw/zinc/24/57/23/1013245723.db2.gz PEICJRBVLCQZKB-UHFFFAOYSA-N -1 0 318.417 3.506 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000191889285 1013251826 /nfs/dbraw/zinc/25/18/26/1013251826.db2.gz ZSMAABLKRHFHHR-UHFFFAOYSA-N -1 0 306.705 3.515 20 0 DHADRM O=C(c1ccc(Cl)c(Cl)c1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000155168784 1013256364 /nfs/dbraw/zinc/25/63/64/1013256364.db2.gz LDPVIWBCAQIVSG-RKDXNWHRSA-N -1 0 300.185 3.571 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001332205109 961531059 /nfs/dbraw/zinc/53/10/59/961531059.db2.gz XACPKRVZIQHLPR-UHFFFAOYSA-N -1 0 317.341 3.676 20 0 DHADRM CC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001573936594 961599572 /nfs/dbraw/zinc/59/95/72/961599572.db2.gz AJWZVOBMJYMSDG-FXPVBKGRSA-N -1 0 307.415 3.556 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000262307205 961634142 /nfs/dbraw/zinc/63/41/42/961634142.db2.gz PJBMZJSLCPXFKE-NEPJUHHUSA-N -1 0 315.291 3.692 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262348561 961662296 /nfs/dbraw/zinc/66/22/96/961662296.db2.gz HBLBGUYRUYMRSH-ZDUSSCGKSA-N -1 0 307.365 3.565 20 0 DHADRM CCc1ccc(C2=CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC001573955002 961668034 /nfs/dbraw/zinc/66/80/34/961668034.db2.gz VHBMEASKYARULL-UHFFFAOYSA-N -1 0 315.413 3.510 20 0 DHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573956387 961671468 /nfs/dbraw/zinc/67/14/68/961671468.db2.gz GFRIGVPIQZBARM-VXGBXAGGSA-N -1 0 309.793 3.514 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000262444690 961726025 /nfs/dbraw/zinc/72/60/25/961726025.db2.gz TZUKMGJTXYNQFZ-CQSZACIVSA-N -1 0 319.357 3.563 20 0 DHADRM C[C@H](Cc1ccc(NC2CCC3(CCCO3)CC2)cc1)C(=O)[O-] ZINC001334017839 961746803 /nfs/dbraw/zinc/74/68/03/961746803.db2.gz WZIPFGSDRYLGFZ-ZCGYKAAXSA-N -1 0 317.429 3.854 20 0 DHADRM Cc1oc(CN(C)C(=O)C[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000262483978 961747452 /nfs/dbraw/zinc/74/74/52/961747452.db2.gz KWLCVSATIOVEJT-LBPRGKRZSA-N -1 0 321.417 3.851 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1Cl ZINC001574516157 961849110 /nfs/dbraw/zinc/84/91/10/961849110.db2.gz RWOXJWSFEYPKPL-XHNCKOQMSA-N -1 0 311.740 3.552 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccsc1 ZINC000262763642 961854188 /nfs/dbraw/zinc/85/41/88/961854188.db2.gz KOZQTJPAPZRNPG-NWDGAFQWSA-N -1 0 317.410 3.754 20 0 DHADRM CCCC(CCC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 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CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC001603323937 972664005 /nfs/dbraw/zinc/66/40/05/972664005.db2.gz NSQLIHMXQIDBQV-HXUWFJFHSA-N -1 0 324.376 3.684 20 0 DHADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cc2ccccc2o1 ZINC001605053907 972671248 /nfs/dbraw/zinc/67/12/48/972671248.db2.gz KNKVIMDVMFEISU-NSHDSACASA-N -1 0 302.326 3.682 20 0 DHADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCCCC2)[C@H]1c1ccccc1 ZINC001603329796 972698212 /nfs/dbraw/zinc/69/82/12/972698212.db2.gz ZAMXJONPFLJDBR-HNNXBMFYSA-N -1 0 315.413 3.631 20 0 DHADRM C[C@@]1(CN2CC[C@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001603339575 972723180 /nfs/dbraw/zinc/72/31/80/972723180.db2.gz GLVOHXQPQAEFIM-FZMZJTMJSA-N -1 0 314.212 3.649 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc(C)c1F ZINC001605126616 972786171 /nfs/dbraw/zinc/78/61/71/972786171.db2.gz IWZYBOZTMORQFF-UHFFFAOYSA-N -1 0 315.344 3.712 20 0 DHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)CSCC(=O)[O-] ZINC001605173792 972886319 /nfs/dbraw/zinc/88/63/19/972886319.db2.gz TVOGTQOSGDYIPP-UHFFFAOYSA-N -1 0 323.801 3.558 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC001603375596 972924424 /nfs/dbraw/zinc/92/44/24/972924424.db2.gz BVSBJZCQBZQMKX-KBUPBQIOSA-N -1 0 309.450 3.693 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)CC(C)(C)C1 ZINC001603376173 972935136 /nfs/dbraw/zinc/93/51/36/972935136.db2.gz QVYGNSXIMWFOQC-TUVASFSCSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000397070141 972964448 /nfs/dbraw/zinc/96/44/48/972964448.db2.gz FWKJZMOYLGWCBH-LBPRGKRZSA-N -1 0 308.353 3.566 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001605256356 973024998 /nfs/dbraw/zinc/02/49/98/973024998.db2.gz SLNASYIIDDVJPP-OAHLLOKOSA-N -1 0 319.445 3.668 20 0 DHADRM COC(=O)Nc1cccc(NCc2ccc(C(=O)[O-])s2)c1C ZINC001604348912 973043781 /nfs/dbraw/zinc/04/37/81/973043781.db2.gz XIFIXXQKAMYPSU-UHFFFAOYSA-N -1 0 320.370 3.545 20 0 DHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001603399408 973045708 /nfs/dbraw/zinc/04/57/08/973045708.db2.gz FLFSGKYXSCOXLJ-UGUYLWEFSA-N -1 0 324.465 3.630 20 0 DHADRM C[C@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001603417903 973131199 /nfs/dbraw/zinc/13/11/99/973131199.db2.gz XUVMLIXCIAJUQT-ZFWWWQNUSA-N -1 0 309.450 3.552 20 0 DHADRM NC(=O)c1ccc(F)c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210928763 1014090789 /nfs/dbraw/zinc/09/07/89/1014090789.db2.gz KDPPDDDKUSUCEP-UHFFFAOYSA-N -1 0 315.131 3.681 20 0 DHADRM Cc1ccc2sc(N[C@@H](Cc3ccccc3)C(=O)[O-])nc2c1 ZINC001605315194 973146076 /nfs/dbraw/zinc/14/60/76/973146076.db2.gz ZENQRTWYKBDLSR-AWEZNQCLSA-N -1 0 312.394 3.713 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1coc(-c2ccccc2)n1 ZINC001605321221 973157656 /nfs/dbraw/zinc/15/76/56/973157656.db2.gz ALLGPCMNWANNKM-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc21 ZINC001603426779 973159677 /nfs/dbraw/zinc/15/96/77/973159677.db2.gz LYFFTNGAYQXVLP-ZHRWSRJISA-N -1 0 311.337 3.531 20 0 DHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605328938 973190955 /nfs/dbraw/zinc/19/09/55/973190955.db2.gz QWJGZEPXKSEIJY-AWEZNQCLSA-N -1 0 318.760 3.596 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C(=O)[O-])c1 ZINC001605329036 973192051 /nfs/dbraw/zinc/19/20/51/973192051.db2.gz SHSLJHBZYAOAHU-GOSISDBHSA-N -1 0 321.376 3.510 20 0 DHADRM CCOC(=O)c1cc2cc(N)ccc2n1-c1cccc([S-])c1 ZINC001210947558 1014094644 /nfs/dbraw/zinc/09/46/44/1014094644.db2.gz SGRNWVYZJMHYHM-UHFFFAOYSA-N -1 0 312.394 3.678 20 0 DHADRM Cc1ncc(Nc2ccccc2C(=O)[O-])cc1Br ZINC001210969157 1014098596 /nfs/dbraw/zinc/09/85/96/1014098596.db2.gz HGDRFXYWGXDHIR-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(OC2CCOCC2)cc1 ZINC001210968456 1014098841 /nfs/dbraw/zinc/09/88/41/1014098841.db2.gz HGQKGGAYVZTSCE-UHFFFAOYSA-N -1 0 313.353 3.686 20 0 DHADRM O=C([O-])c1ccccc1Nc1ncc(C(F)(F)F)cc1F ZINC001210969740 1014099149 /nfs/dbraw/zinc/09/91/49/1014099149.db2.gz QARCCFQSDCZLRP-UHFFFAOYSA-N -1 0 300.211 3.681 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(-c2cccc(C)c2)c1 ZINC001603496818 973453268 /nfs/dbraw/zinc/45/32/68/973453268.db2.gz WBRPNPQTOWVINR-KRWDZBQOSA-N -1 0 311.381 3.597 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001603517013 973538774 /nfs/dbraw/zinc/53/87/74/973538774.db2.gz ZKHJZYWTIJZPIS-TZMCWYRMSA-N -1 0 304.390 3.529 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC001603526028 973566627 /nfs/dbraw/zinc/56/66/27/973566627.db2.gz QWCIPIVWNZJISW-UHFFFAOYSA-N -1 0 307.390 3.612 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cccc(C(F)(F)F)c1 ZINC001603526725 973567455 /nfs/dbraw/zinc/56/74/55/973567455.db2.gz AIKROVONMARWNN-UHFFFAOYSA-N -1 0 318.291 3.640 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cccc(-c2ccccn2)c1 ZINC001603527008 973572469 /nfs/dbraw/zinc/57/24/69/973572469.db2.gz PKBOAHZOEFIPQG-UHFFFAOYSA-N -1 0 313.353 3.545 20 0 DHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604662632 973846203 /nfs/dbraw/zinc/84/62/03/973846203.db2.gz IPXNVZIDHSJXCI-CHWSQXEVSA-N -1 0 320.389 3.606 20 0 DHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604662644 973846361 /nfs/dbraw/zinc/84/63/61/973846361.db2.gz IPXNVZIDHSJXCI-OLZOCXBDSA-N -1 0 320.389 3.606 20 0 DHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(C2CC2)c1 ZINC000414083836 973930706 /nfs/dbraw/zinc/93/07/06/973930706.db2.gz DWPIIIKZXSUWCX-GFCCVEGCSA-N -1 0 303.402 3.632 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001603624940 973932229 /nfs/dbraw/zinc/93/22/29/973932229.db2.gz QKZYFBOJWGFYQV-MRXNPFEDSA-N -1 0 323.392 3.685 20 0 DHADRM CCC[C@@H](C(=O)N(C)[C@H](CC)C(=O)[O-])c1ccc(Cl)cc1 ZINC001603627959 973941667 /nfs/dbraw/zinc/94/16/67/973941667.db2.gz OPQPGJMDUQODNJ-ZIAGYGMSSA-N -1 0 311.809 3.545 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603632627 973952185 /nfs/dbraw/zinc/95/21/85/973952185.db2.gz FAUZJEPMMACXQD-CBBWQLFWSA-N -1 0 311.466 3.700 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000417558815 973960897 /nfs/dbraw/zinc/96/08/97/973960897.db2.gz GLRBDVQAZBFXEU-MRXNPFEDSA-N -1 0 301.411 3.931 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2CC2CCCC2)o1 ZINC001606482970 973964482 /nfs/dbraw/zinc/96/44/82/973964482.db2.gz LYYKGNMSKOXQDO-QSYFUGGGSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])c1ccc(CNc2ccc(-c3ccon3)cc2)s1 ZINC001606495290 973979785 /nfs/dbraw/zinc/97/97/85/973979785.db2.gz QOMYQFXWQJPROP-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM CCCCC[C@@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001603640847 973985208 /nfs/dbraw/zinc/98/52/08/973985208.db2.gz HSFSLBLWEAWYSX-GDBMZVCRSA-N -1 0 320.433 3.718 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001603640915 973986782 /nfs/dbraw/zinc/98/67/82/973986782.db2.gz IWXVESXRHKDADK-KGLIPLIRSA-N -1 0 312.454 3.536 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000425249392 974040622 /nfs/dbraw/zinc/04/06/22/974040622.db2.gz TXYPNKUNPBOUKX-BFYDXBDKSA-N -1 0 317.429 3.562 20 0 DHADRM CCCN(CC(=O)[O-])c1nc(-c2ccccc2)nc2ccccc21 ZINC001603667743 974043496 /nfs/dbraw/zinc/04/34/96/974043496.db2.gz MTYQZPLBQJNGLQ-UHFFFAOYSA-N -1 0 321.380 3.598 20 0 DHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC001604833987 974075534 /nfs/dbraw/zinc/07/55/34/974075534.db2.gz LBEXSUHYMKCTBB-GFCCVEGCSA-N -1 0 314.337 3.620 20 0 DHADRM CCN(C(=O)CC1CCC(c2ccccc2)CC1)[C@H](C)C(=O)[O-] ZINC001603705497 974106873 /nfs/dbraw/zinc/10/68/73/974106873.db2.gz GWBXSOVMQOYWMA-HPUBIQBYSA-N -1 0 317.429 3.672 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000478869996 974214143 /nfs/dbraw/zinc/21/41/43/974214143.db2.gz WSFOCDWZBYRTBD-YRGRVCCFSA-N -1 0 319.376 3.613 20 0 DHADRM CC(C)(CC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000087725174 1014184038 /nfs/dbraw/zinc/18/40/38/1014184038.db2.gz LJADKBUNQGFLKJ-UHFFFAOYSA-N -1 0 321.320 3.738 20 0 DHADRM Cc1ccc(-c2csc(CN(CC(=O)[O-])CC(C)C)n2)cc1 ZINC000516777667 974309778 /nfs/dbraw/zinc/30/97/78/974309778.db2.gz MLSMVUJPPTUPTK-UHFFFAOYSA-N -1 0 318.442 3.661 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000519773387 974334508 /nfs/dbraw/zinc/33/45/08/974334508.db2.gz LBGFLBYYXOADRI-CJNGLKHVSA-N -1 0 319.401 3.617 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000519763014 974334569 /nfs/dbraw/zinc/33/45/69/974334569.db2.gz CDVNQZMEPXOMBN-ZDUSSCGKSA-N -1 0 307.390 3.551 20 0 DHADRM Cc1cc(CN2CCc3sc(Cl)cc3C2)oc1C(=O)[O-] ZINC000520240125 974337353 /nfs/dbraw/zinc/33/73/53/974337353.db2.gz LUYYBKRXVCWIJX-UHFFFAOYSA-N -1 0 311.790 3.559 20 0 DHADRM COc1cc(Nc2ccc(F)c(C(=O)N(C)C)c2)ccc1[S-] ZINC001211863718 1014186527 /nfs/dbraw/zinc/18/65/27/1014186527.db2.gz UPPDLTVVWBDBOF-UHFFFAOYSA-N -1 0 320.389 3.568 20 0 DHADRM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(F)CC1 ZINC000530171312 974361822 /nfs/dbraw/zinc/36/18/22/974361822.db2.gz AANFFTVGBSOYGA-LLVKDONJSA-N -1 0 324.154 3.850 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N2CCCCCc3ccccc32)c1 ZINC000537483627 974386071 /nfs/dbraw/zinc/38/60/71/974386071.db2.gz ZVQGMSJWBYMJCU-UHFFFAOYSA-N -1 0 323.392 3.687 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CSc1cc(C)ccc1C ZINC000538512779 974390127 /nfs/dbraw/zinc/39/01/27/974390127.db2.gz GTUZORXGUCFNFG-UHFFFAOYSA-N -1 0 323.458 3.545 20 0 DHADRM Cc1cnc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)s1 ZINC000563212950 974521937 /nfs/dbraw/zinc/52/19/37/974521937.db2.gz HNLXUPSIKIKODQ-UHFFFAOYSA-N -1 0 316.426 3.609 20 0 DHADRM O=C([O-])CCc1cccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000563414527 974530826 /nfs/dbraw/zinc/53/08/26/974530826.db2.gz MQFDOSXWDGOQQB-OAHLLOKOSA-N -1 0 320.392 3.764 20 0 DHADRM O=C([O-])c1sccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000565103497 974569295 /nfs/dbraw/zinc/56/92/95/974569295.db2.gz FZISAAPQAZOPNN-SNVBAGLBSA-N -1 0 323.364 3.714 20 0 DHADRM Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000236641443 1014204386 /nfs/dbraw/zinc/20/43/86/1014204386.db2.gz CFVOGUADTHHWBZ-LBPRGKRZSA-N -1 0 323.776 3.624 20 0 DHADRM Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2oncc2C(=O)[O-])cc1 ZINC000567359504 974633014 /nfs/dbraw/zinc/63/30/14/974633014.db2.gz XGYSHTQKCWTJKR-SUMWQHHRSA-N -1 0 314.385 3.654 20 0 DHADRM O=C([O-])c1csc(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000568059973 974655814 /nfs/dbraw/zinc/65/58/14/974655814.db2.gz NJZWIOVSIBMAGV-CYBMUJFWSA-N -1 0 322.817 3.832 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NCC1(c2cccs2)CCCCC1 ZINC000568246248 974663082 /nfs/dbraw/zinc/66/30/82/974663082.db2.gz JDBDXXYERKULNQ-ZDUSSCGKSA-N -1 0 323.458 3.567 20 0 DHADRM Cc1ccccc1-c1cnc(CN(C)[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000570402815 974710817 /nfs/dbraw/zinc/71/08/17/974710817.db2.gz AMHZDGJRYUWWBY-HNNXBMFYSA-N -1 0 316.401 3.581 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000570646547 974715706 /nfs/dbraw/zinc/71/57/06/974715706.db2.gz GOITWPPDECXYDQ-KRWDZBQOSA-N -1 0 323.396 3.601 20 0 DHADRM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])C1(C)C ZINC000275916308 1014213871 /nfs/dbraw/zinc/21/38/71/1014213871.db2.gz FQBBHGDFFISSOI-UWVGGRQHSA-N -1 0 309.793 3.626 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065732 974794594 /nfs/dbraw/zinc/79/45/94/974794594.db2.gz XBBDXNDPARBZHZ-YGRLFVJLSA-N -1 0 320.389 3.564 20 0 DHADRM Cc1cc([C@H](C)N2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306644 974923938 /nfs/dbraw/zinc/92/39/38/974923938.db2.gz XPJUQLWTFKNSEU-LBPRGKRZSA-N -1 0 324.380 3.887 20 0 DHADRM Cc1cc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306643 974924390 /nfs/dbraw/zinc/92/43/90/974924390.db2.gz XPJUQLWTFKNSEU-GFCCVEGCSA-N -1 0 324.380 3.887 20 0 DHADRM CCCC[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000621535562 975027777 /nfs/dbraw/zinc/02/77/77/975027777.db2.gz FXLDDSDIDLSHMV-HNNXBMFYSA-N -1 0 307.390 3.551 20 0 DHADRM Cc1cc(CCCC(=O)N2CCCCC[C@@H]2C(=O)[O-])c(C)s1 ZINC000621568040 975035331 /nfs/dbraw/zinc/03/53/31/975035331.db2.gz KJFDPQJTCBWNRI-OAHLLOKOSA-N -1 0 323.458 3.543 20 0 DHADRM CSc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)co1 ZINC000630163231 975138283 /nfs/dbraw/zinc/13/82/83/975138283.db2.gz UTSZGXQIUGIMGS-SNVBAGLBSA-N -1 0 319.382 3.517 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630233465 975180546 /nfs/dbraw/zinc/18/05/46/975180546.db2.gz VDZJFCRLOZOEBE-QGZVFWFLSA-N -1 0 317.429 3.536 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3C[C@@H]3C3CCCC3)ccc12 ZINC000630234725 975181150 /nfs/dbraw/zinc/18/11/50/975181150.db2.gz WCSQUYAIJWNQRL-ZIAGYGMSSA-N -1 0 312.369 3.631 20 0 DHADRM O=C([O-])Cc1ccc(CNC(=O)CCCC2CCCCC2)cc1 ZINC000630235183 975181252 /nfs/dbraw/zinc/18/12/52/975181252.db2.gz UJSXUPXKPDHDMR-UHFFFAOYSA-N -1 0 317.429 3.681 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)CC1 ZINC000630280915 975225249 /nfs/dbraw/zinc/22/52/49/975225249.db2.gz AUCZKJUZAKMZEU-MTSZKFMLSA-N -1 0 321.461 3.551 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(C(F)F)CCC2)c2ccccc12 ZINC000630289120 975232321 /nfs/dbraw/zinc/23/23/21/975232321.db2.gz PYARMLBERRAJTA-UHFFFAOYSA-N -1 0 319.307 3.912 20 0 DHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630291072 975233220 /nfs/dbraw/zinc/23/32/20/975233220.db2.gz KKJZKSQUTMAMPG-KLHDSHLOSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630293859 975234375 /nfs/dbraw/zinc/23/43/75/975234375.db2.gz BZYKQBGEZHRUED-XIRDDKMYSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000630295468 975235329 /nfs/dbraw/zinc/23/53/29/975235329.db2.gz SUMJUMIKNKUOBX-LBPRGKRZSA-N -1 0 315.394 3.846 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000630301497 975239783 /nfs/dbraw/zinc/23/97/83/975239783.db2.gz MIIOSIQSTKVFJT-GHMZBOCLSA-N -1 0 305.399 3.579 20 0 DHADRM CCc1ccc(C2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC000630303238 975240610 /nfs/dbraw/zinc/24/06/10/975240610.db2.gz NRJFPCKJULEJDB-UHFFFAOYSA-N -1 0 317.429 3.600 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000630307141 975242159 /nfs/dbraw/zinc/24/21/59/975242159.db2.gz LKHWPRXQXGHAFO-NSHDSACASA-N -1 0 315.394 3.892 20 0 DHADRM Cc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)s1 ZINC000630327716 975255116 /nfs/dbraw/zinc/25/51/16/975255116.db2.gz SOOQSVPHDSSFFO-LSDHHAIUSA-N -1 0 315.394 3.805 20 0 DHADRM Cc1cc(CNC(=O)CCC2CCCCCC2)oc1C(=O)[O-] ZINC000630331202 975259401 /nfs/dbraw/zinc/25/94/01/975259401.db2.gz QWQYSTJMPFGARP-UHFFFAOYSA-N -1 0 307.390 3.653 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(C(F)F)c1Cl ZINC000634828911 975277755 /nfs/dbraw/zinc/27/77/55/975277755.db2.gz IRQWQOPNPYTHEC-ZETCQYMHSA-N -1 0 305.708 3.717 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000642148132 975289714 /nfs/dbraw/zinc/28/97/14/975289714.db2.gz AKIDOOXHHRHIOQ-UHFFFAOYSA-N -1 0 311.381 3.881 20 0 DHADRM O=C([O-])c1cc(NCc2ncccc2C(F)(F)F)ccc1F ZINC000643898507 975323695 /nfs/dbraw/zinc/32/36/95/975323695.db2.gz DWHIKQWVZOJFHG-UHFFFAOYSA-N -1 0 314.238 3.550 20 0 DHADRM O=C([O-])c1cnc(N2CCC(c3ccsc3)CC2)c(Cl)c1 ZINC000647453410 975364294 /nfs/dbraw/zinc/36/42/94/975364294.db2.gz GDOHMKSYSWKELR-UHFFFAOYSA-N -1 0 322.817 3.879 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC000652079693 975475373 /nfs/dbraw/zinc/47/53/73/975475373.db2.gz NDIXMSCOFWMYMA-OAHLLOKOSA-N -1 0 315.369 3.566 20 0 DHADRM CC(C)OC(=O)c1cc(-c2ccccc2CC(=O)[O-])ccc1F ZINC001591685976 975488636 /nfs/dbraw/zinc/48/86/36/975488636.db2.gz VRDKVFCRGNIWPH-UHFFFAOYSA-N -1 0 316.328 3.685 20 0 DHADRM CSc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C ZINC000652122657 975508279 /nfs/dbraw/zinc/50/82/79/975508279.db2.gz FRNARHOAVAVSNL-VXGBXAGGSA-N -1 0 307.415 3.546 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652125943 975511785 /nfs/dbraw/zinc/51/17/85/975511785.db2.gz NAXQEVRDMJCCCI-YESZJQIVSA-N -1 0 321.461 3.552 20 0 DHADRM CCCN(Cc1ccc(C(=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000652396624 975520058 /nfs/dbraw/zinc/52/00/58/975520058.db2.gz KULNGYRGSDORPO-UHFFFAOYSA-N -1 0 309.715 3.813 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653637870 975601142 /nfs/dbraw/zinc/60/11/42/975601142.db2.gz FYZLUBSVNYMDEW-SFHVURJKSA-N -1 0 323.392 3.599 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000653644276 975612396 /nfs/dbraw/zinc/61/23/96/975612396.db2.gz BMQCGXMQPIMDJD-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM CCCn1ccc2ccc(NC(=O)CCCCC(=O)[O-])cc21 ZINC000655549836 975625789 /nfs/dbraw/zinc/62/57/89/975625789.db2.gz XBSCZBWCHYLORK-UHFFFAOYSA-N -1 0 302.374 3.635 20 0 DHADRM CC[C@@H](CNC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC000656244093 975654676 /nfs/dbraw/zinc/65/46/76/975654676.db2.gz CMDNWGYUMRWJGG-LBPRGKRZSA-N -1 0 317.410 3.564 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000656474742 975657786 /nfs/dbraw/zinc/65/77/86/975657786.db2.gz IEUSTIQUDKRTBY-WKILWMFISA-N -1 0 315.413 3.859 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCCCc2ccccc21 ZINC000659122248 975721558 /nfs/dbraw/zinc/72/15/58/975721558.db2.gz CDUYYCFJDDCILA-UHFFFAOYSA-N -1 0 313.353 3.659 20 0 DHADRM CC(C)OCc1cccc(-c2cccc([C@@](C)(O)C(=O)[O-])c2)c1 ZINC001591735845 975728945 /nfs/dbraw/zinc/72/89/45/975728945.db2.gz VBBHKHSMDFMIJA-LJQANCHMSA-N -1 0 314.381 3.571 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)C2CCC3(CC3)CC2)cc1 ZINC000659136462 975736977 /nfs/dbraw/zinc/73/69/77/975736977.db2.gz JWBQVVOGRFILON-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM CCc1ccc(C(C)(C)NC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659139335 975739621 /nfs/dbraw/zinc/73/96/21/975739621.db2.gz BJWWINXOFKREKP-UHFFFAOYSA-N -1 0 315.369 3.514 20 0 DHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000659143450 975743421 /nfs/dbraw/zinc/74/34/21/975743421.db2.gz QKCXTIWOJBLFEH-ZWKOTPCHSA-N -1 0 323.392 3.673 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000659146112 975745621 /nfs/dbraw/zinc/74/56/21/975745621.db2.gz SUAVTMRBEXLXLG-UYSNPLJNSA-N -1 0 321.461 3.552 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000659148491 975749080 /nfs/dbraw/zinc/74/90/80/975749080.db2.gz ZVZUUSBQMZOGRN-GOSISDBHSA-N -1 0 301.386 3.779 20 0 DHADRM CC(C)Oc1c(NC(=O)N2[C@H](C)CC[C@@H]2C)cccc1C(=O)[O-] ZINC001591741206 975749579 /nfs/dbraw/zinc/74/95/79/975749579.db2.gz DEXXPTRNJCQUIQ-TXEJJXNPSA-N -1 0 320.389 3.577 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659147948 975749582 /nfs/dbraw/zinc/74/95/82/975749582.db2.gz UKFZNAMVZDLYJS-HOCLYGCPSA-N -1 0 303.402 3.859 20 0 DHADRM CC(C)Oc1c(NC(=O)C[C@H]2CCC[C@H]2C)cccc1C(=O)[O-] ZINC001591741769 975757985 /nfs/dbraw/zinc/75/79/85/975757985.db2.gz QFKHRINWHWVVKN-CHWSQXEVSA-N -1 0 319.401 3.937 20 0 DHADRM CC(C)Oc1c(NC(=O)C[C@H]2CCC[C@@H]2C)cccc1C(=O)[O-] ZINC001591741771 975758135 /nfs/dbraw/zinc/75/81/35/975758135.db2.gz QFKHRINWHWVVKN-QWHCGFSZSA-N -1 0 319.401 3.937 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1 ZINC000659161522 975760361 /nfs/dbraw/zinc/76/03/61/975760361.db2.gz XYMBCNPZCZIKFP-FZKQIMNGSA-N -1 0 301.386 3.950 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659190782 975786676 /nfs/dbraw/zinc/78/66/76/975786676.db2.gz JYGCYUBWRMXINO-BPKGMFCQSA-N -1 0 321.461 3.695 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659194132 975794808 /nfs/dbraw/zinc/79/48/08/975794808.db2.gz JRPJISDCROBNOP-UHDSXZAQSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@](C)(CCF)C(=O)[O-])cc1 ZINC000659215067 975826097 /nfs/dbraw/zinc/82/60/97/975826097.db2.gz KSTLUYNVARHGKH-SCLBCKFNSA-N -1 0 323.408 3.623 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCCCC1CCOCC1 ZINC001591771700 975898192 /nfs/dbraw/zinc/89/81/92/975898192.db2.gz AETQXOLSHQYABT-UHFFFAOYSA-N -1 0 321.417 3.791 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H]1CCO[C@H](C(C)C)C1 ZINC001591771833 975900716 /nfs/dbraw/zinc/90/07/16/975900716.db2.gz KZBFXODAXVYHQL-PBHICJAKSA-N -1 0 321.417 3.788 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C[C@@H]2CC=CCC2)c(C(=O)[O-])c1 ZINC001591781399 975953883 /nfs/dbraw/zinc/95/38/83/975953883.db2.gz ZQEHERQQIXXWDQ-CYBMUJFWSA-N -1 0 317.385 3.857 20 0 DHADRM O=C([O-])Cc1cccc(NCCCCCOc2ccccc2)c1 ZINC000666578031 975975042 /nfs/dbraw/zinc/97/50/42/975975042.db2.gz ADXBWHKMPHWTOT-UHFFFAOYSA-N -1 0 313.397 3.975 20 0 DHADRM Cc1cccc2cc(C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])sc21 ZINC000668290788 975987828 /nfs/dbraw/zinc/98/78/28/975987828.db2.gz XXSKTRKSGULUET-ZWNOBZJWSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)Oc1cccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001591795662 975999151 /nfs/dbraw/zinc/99/91/51/975999151.db2.gz BZSGSEDEWVPNFD-MRXNPFEDSA-N -1 0 303.333 3.851 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679104267 976045369 /nfs/dbraw/zinc/04/53/69/976045369.db2.gz SRCGMKOWCQJAJM-LSDHHAIUSA-N -1 0 311.466 3.942 20 0 DHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000680528049 976056399 /nfs/dbraw/zinc/05/63/99/976056399.db2.gz TVRDUYSGVZPVCP-UHFFFAOYSA-N -1 0 317.341 3.536 20 0 DHADRM CC(C)[C@H]1CC[C@H](c2nc(-c3cc(C(=O)[O-])co3)no2)CC1 ZINC001591907586 976313830 /nfs/dbraw/zinc/31/38/30/976313830.db2.gz WUJJOECDDKTYCA-XYPYZODXSA-N -1 0 304.346 3.958 20 0 DHADRM CC(C)c1[nH]c(CN[C@@H](CF)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591916078 976362523 /nfs/dbraw/zinc/36/25/23/976362523.db2.gz HKAGRSUSIRWMEN-HNNXBMFYSA-N -1 0 322.355 3.776 20 0 DHADRM CC(C)c1[nH]c(CN[C@H](CF)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591916079 976362693 /nfs/dbraw/zinc/36/26/93/976362693.db2.gz HKAGRSUSIRWMEN-OAHLLOKOSA-N -1 0 322.355 3.776 20 0 DHADRM CCCC[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191232951 1014324848 /nfs/dbraw/zinc/32/48/48/1014324848.db2.gz AAKVUMJDPAFFOV-HTAVTVPLSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2Cl)on1 ZINC001591931076 976432012 /nfs/dbraw/zinc/43/20/12/976432012.db2.gz HMNFTBWXAYVWBI-UHFFFAOYSA-N -1 0 323.732 3.507 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001591935168 976450947 /nfs/dbraw/zinc/45/09/47/976450947.db2.gz WOMCMHSLWMRPDF-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc(CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591952676 976512798 /nfs/dbraw/zinc/51/27/98/976512798.db2.gz LXYLDTBTZQQHMS-MRXNPFEDSA-N -1 0 319.445 3.748 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001591957052 976526616 /nfs/dbraw/zinc/52/66/16/976526616.db2.gz AJOPMTALYCLZDG-UHFFFAOYSA-N -1 0 317.410 3.775 20 0 DHADRM CC(C)c1ccc(NC(=O)N2CC3CCC2CC3)c(C(=O)[O-])c1 ZINC001591965229 976555985 /nfs/dbraw/zinc/55/59/85/976555985.db2.gz HYZALGVNQHSFII-UHFFFAOYSA-N -1 0 316.401 3.915 20 0 DHADRM CC(C)c1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cn1 ZINC001591967476 976563547 /nfs/dbraw/zinc/56/35/47/976563547.db2.gz BVBAICMRXAXVCG-UHFFFAOYSA-N -1 0 313.401 3.653 20 0 DHADRM CC(C)c1ccc(NCc2nnc(C3CC3)s2)c(C(=O)[O-])c1 ZINC001591968589 976567193 /nfs/dbraw/zinc/56/71/93/976567193.db2.gz QXQHUQZAUAOPPP-UHFFFAOYSA-N -1 0 317.414 3.849 20 0 DHADRM CC(C)c1cccc(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001591987847 976613786 /nfs/dbraw/zinc/61/37/86/976613786.db2.gz SKHOLJXKDIWQSL-UHFFFAOYSA-N -1 0 323.392 3.593 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)c2ccsc2C(=O)[O-])c1 ZINC001591992221 976622432 /nfs/dbraw/zinc/62/24/32/976622432.db2.gz RULQSUMCERAXSU-UHFFFAOYSA-N -1 0 303.383 3.846 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001591994969 976637520 /nfs/dbraw/zinc/63/75/20/976637520.db2.gz QEFYSVLFQVDTKB-PKNBQFBNSA-N -1 0 313.353 3.777 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001591995106 976639243 /nfs/dbraw/zinc/63/92/43/976639243.db2.gz SFGAGBSLSWPUGU-KGLIPLIRSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591999101 976647949 /nfs/dbraw/zinc/64/79/49/976647949.db2.gz WJBSJTOHWXJLIZ-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592002614 976651633 /nfs/dbraw/zinc/65/16/33/976651633.db2.gz AEYKVOZMOUPERG-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1nc(CNc2cccc3cc(C(=O)[O-])sc32)no1 ZINC001592020260 976710717 /nfs/dbraw/zinc/71/07/17/976710717.db2.gz STVKZBNRWKSACF-UHFFFAOYSA-N -1 0 317.370 3.718 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2CCC(C)(C)C2)sc1C(=O)[O-] ZINC001592021919 976717421 /nfs/dbraw/zinc/71/74/21/976717421.db2.gz IYIACOIIBZJNGG-SECBINFHSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1nc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)sc1C(=O)[O-] ZINC001592023054 976723767 /nfs/dbraw/zinc/72/37/67/976723767.db2.gz YQYLBPKAQIBJKJ-XWLWVQCSSA-N -1 0 322.430 3.585 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001592042798 976772467 /nfs/dbraw/zinc/77/24/67/976772467.db2.gz VBDUXIFBVXWJGM-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM CC(C)c1nnc(CSC[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC001592060976 976811169 /nfs/dbraw/zinc/81/11/69/976811169.db2.gz IGOLLSQULMCDTA-MNOVXSKESA-N -1 0 314.476 3.786 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H](F)c2ccccc2)nc1C(=O)[O-] ZINC001592108667 976895907 /nfs/dbraw/zinc/89/59/07/976895907.db2.gz TVVZKKZSDWTWMH-JTQLQIEISA-N -1 0 322.361 3.614 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC001592112217 976905925 /nfs/dbraw/zinc/90/59/25/976905925.db2.gz YKZZGKHHRYODQI-ZJUUUORDSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)n1nccc1CNc1ccc(C(=O)[O-])c2ccccc12 ZINC001592169298 977065352 /nfs/dbraw/zinc/06/53/52/977065352.db2.gz JDTJEKQYIKSEAK-UHFFFAOYSA-N -1 0 309.369 3.928 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001592180426 977093090 /nfs/dbraw/zinc/09/30/90/977093090.db2.gz BJMIXMRUTLQLHX-LLVKDONJSA-N -1 0 324.446 3.557 20 0 DHADRM C[C@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])CC(C)(C)C ZINC001592236148 977442248 /nfs/dbraw/zinc/44/22/48/977442248.db2.gz JWCWYLIDLMGGEZ-GFCCVEGCSA-N -1 0 303.402 3.736 20 0 DHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)CC(C)(C)C ZINC001592242335 977459493 /nfs/dbraw/zinc/45/94/93/977459493.db2.gz DINWATNFIXONJO-NWDGAFQWSA-N -1 0 311.447 3.843 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000580870535 1014413049 /nfs/dbraw/zinc/41/30/49/1014413049.db2.gz VJQRXXZMOXEVQL-UHFFFAOYSA-N -1 0 307.305 3.897 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001592367056 977869015 /nfs/dbraw/zinc/86/90/15/977869015.db2.gz IKABXVYSBILYIT-CPCISQLKSA-N -1 0 324.682 3.597 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001592371219 977891447 /nfs/dbraw/zinc/89/14/47/977891447.db2.gz PUMWQOCIEVZXBL-KDOFPFPSSA-N -1 0 315.413 3.631 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCCc2cc(Cl)ccc21 ZINC001592375478 977909466 /nfs/dbraw/zinc/90/94/66/977909466.db2.gz NAATXALZINCSPJ-LLVKDONJSA-N -1 0 309.793 3.510 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001592381510 977919239 /nfs/dbraw/zinc/91/92/39/977919239.db2.gz HSFYKYOPEKFFGZ-LNSITVRQSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001592381992 977921880 /nfs/dbraw/zinc/92/18/80/977921880.db2.gz SVAZSFQLRXYCMT-USXIJHARSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001592382156 977923935 /nfs/dbraw/zinc/92/39/35/977923935.db2.gz ZDMOYCVGYVCCIV-WHOFXGATSA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001592385151 977925459 /nfs/dbraw/zinc/92/54/59/977925459.db2.gz HBTIQKYJVYSUKX-OHNRDTAOSA-N -1 0 317.429 3.563 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1c(Cl)ccc(F)c1Cl ZINC001592403308 977972934 /nfs/dbraw/zinc/97/29/34/977972934.db2.gz WBMPHNSQZPJRAK-SSDOTTSWSA-N -1 0 323.147 3.677 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000684110303 1014446780 /nfs/dbraw/zinc/44/67/80/1014446780.db2.gz VZZQJDHNULGPDJ-BBRMVZONSA-N -1 0 321.417 3.544 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000684110309 1014446792 /nfs/dbraw/zinc/44/67/92/1014446792.db2.gz VZZQJDHNULGPDJ-XJKSGUPXSA-N -1 0 321.417 3.544 20 0 DHADRM C[C@H](CC(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC001592428342 978049473 /nfs/dbraw/zinc/04/94/73/978049473.db2.gz BBGOLFVFAMOIBK-UPJWGTAASA-N -1 0 308.349 3.506 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC001592428557 978051286 /nfs/dbraw/zinc/05/12/86/978051286.db2.gz FDLRPHRDJCDBKE-BBRMVZONSA-N -1 0 319.401 3.542 20 0 DHADRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccco1 ZINC001592433035 978063389 /nfs/dbraw/zinc/06/33/89/978063389.db2.gz ACCIKEGOICPUDD-SECBINFHSA-N -1 0 308.717 3.730 20 0 DHADRM C[C@@H](CC(=O)OCc1ccsc1C(=O)[O-])c1cccc(F)c1 ZINC001592434067 978071245 /nfs/dbraw/zinc/07/12/45/978071245.db2.gz RXCXQGOBAVHOLA-JTQLQIEISA-N -1 0 322.357 3.822 20 0 DHADRM Cc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1ccncc1 ZINC000427637959 1014462640 /nfs/dbraw/zinc/46/26/40/1014462640.db2.gz RSYSWANWUWVLLY-UHFFFAOYSA-N -1 0 324.405 3.858 20 0 DHADRM C[C@@H](CC1CCC1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592459686 978179915 /nfs/dbraw/zinc/17/99/15/978179915.db2.gz OTIRRKDXBKCPMM-JTQLQIEISA-N -1 0 315.373 3.566 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592465984 978210477 /nfs/dbraw/zinc/21/04/77/978210477.db2.gz RATRHVXSIYTQMU-BBRMVZONSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592466228 978211663 /nfs/dbraw/zinc/21/16/63/978211663.db2.gz SKDGVBZPFYOYIJ-CYBMUJFWSA-N -1 0 303.402 3.954 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592466230 978211771 /nfs/dbraw/zinc/21/17/71/978211771.db2.gz SOBODUWLDXCVBE-SECBINFHSA-N -1 0 310.781 3.588 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001592476917 978238023 /nfs/dbraw/zinc/23/80/23/978238023.db2.gz CGAPCHKVLOGJRJ-NWDGAFQWSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001592477675 978246485 /nfs/dbraw/zinc/24/64/85/978246485.db2.gz MQKJLFMUBBOYCY-APIJFGDWSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592478115 978248802 /nfs/dbraw/zinc/24/88/02/978248802.db2.gz RNXWPYQXYIOUFX-ASCRHOAZSA-N -1 0 319.401 3.856 20 0 DHADRM C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001592478260 978250382 /nfs/dbraw/zinc/25/03/82/978250382.db2.gz SCPQHODATSMHBC-ZDUSSCGKSA-N -1 0 305.418 3.648 20 0 DHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592478855 978254291 /nfs/dbraw/zinc/25/42/91/978254291.db2.gz ZMLGGAAYKYFZMA-VIFPVBQESA-N -1 0 318.295 3.627 20 0 DHADRM Cc1n[n-]c(=[NH+]Cc2ccc(-c3ccc(C)cc3)o2)n1C1CC1 ZINC000340715755 1014482530 /nfs/dbraw/zinc/48/25/30/1014482530.db2.gz YBPBBVVXABGSDQ-UHFFFAOYSA-N -1 0 308.385 3.524 20 0 DHADRM C[C@@H](CCNC(=O)c1ccc(C(=O)[O-])cc1F)CC(C)(C)C ZINC001592520731 978370212 /nfs/dbraw/zinc/37/02/12/978370212.db2.gz IVZRDLSOZKXUQE-NSHDSACASA-N -1 0 309.381 3.716 20 0 DHADRM C[C@H](CCc1ccccc1)OC(=O)c1cscc1C(=O)[O-] ZINC001592546713 978433598 /nfs/dbraw/zinc/43/35/98/978433598.db2.gz YASOLNOMYDEOCQ-LLVKDONJSA-N -1 0 304.367 3.624 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccsc1 ZINC000580997127 1014507280 /nfs/dbraw/zinc/50/72/80/1014507280.db2.gz YMGLSLNJIRSHAI-CQSZACIVSA-N -1 0 318.398 3.818 20 0 DHADRM COCc1cc(NC(=O)C[C@@H]2CCC[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000427667537 1014509337 /nfs/dbraw/zinc/50/93/37/1014509337.db2.gz CMETXRZRBAVFQB-QWHCGFSZSA-N -1 0 319.401 3.686 20 0 DHADRM Cc1ccc(NC(=O)CCCC(=O)[O-])cc1OCCC(C)C ZINC000753968023 978695485 /nfs/dbraw/zinc/69/54/85/978695485.db2.gz QTUHRKNIXFKRBM-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000761647077 978713065 /nfs/dbraw/zinc/71/30/65/978713065.db2.gz ATQAJCNTLQFKPB-MGULZYLOSA-N -1 0 323.355 3.505 20 0 DHADRM CCC(CC)(CNC(=O)/C(C)=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000761921303 978716533 /nfs/dbraw/zinc/71/65/33/978716533.db2.gz DSKSSSAEURDJCE-XFXZXTDPSA-N -1 0 323.820 3.751 20 0 DHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000767057556 978732514 /nfs/dbraw/zinc/73/25/14/978732514.db2.gz CZHAHWOXMWEADN-QBFSEMIESA-N -1 0 319.376 3.523 20 0 DHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2c1 ZINC000767088571 978733904 /nfs/dbraw/zinc/73/39/04/978733904.db2.gz BKIFJTNISQGZLT-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM CCCCC[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)C(=O)[O-] ZINC000776662034 978767176 /nfs/dbraw/zinc/76/71/76/978767176.db2.gz ULPXEJCDNITHBW-GXMKHXEJSA-N -1 0 315.822 3.564 20 0 DHADRM Cc1ccc2[nH]c(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2c1 ZINC000786615208 978795392 /nfs/dbraw/zinc/79/53/92/978795392.db2.gz MQVATEFQLQLRMX-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811814270 978857597 /nfs/dbraw/zinc/85/75/97/978857597.db2.gz HGEGFBWJXAIBBO-NSHDSACASA-N -1 0 317.772 3.838 20 0 DHADRM CC(C)(NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccs1 ZINC000811820237 978864671 /nfs/dbraw/zinc/86/46/71/978864671.db2.gz SHIVWRNFHOHSHM-UHFFFAOYSA-N -1 0 323.801 3.765 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)/C=C/C2CCCCC2)cc1F ZINC000817868511 978904389 /nfs/dbraw/zinc/90/43/89/978904389.db2.gz VGQIPZQETUOGCR-RMKNXTFCSA-N -1 0 305.349 3.528 20 0 DHADRM Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000818804785 978923396 /nfs/dbraw/zinc/92/33/96/978923396.db2.gz WWWVHSDHLMTGTI-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2ccc3cnccc3c2)CCCCC1 ZINC000581059107 1014535662 /nfs/dbraw/zinc/53/56/62/1014535662.db2.gz HAWHSEIPRGXMNS-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM C[C@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(F)(F)F ZINC000826013556 978943863 /nfs/dbraw/zinc/94/38/63/978943863.db2.gz MGUKDCAGQZBUMG-MRVPVSSYSA-N -1 0 311.259 3.675 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C1/CC[C@H](C)C1 ZINC000828200405 978975457 /nfs/dbraw/zinc/97/54/57/978975457.db2.gz FZUYGMWKUQOUKZ-VWLVURMCSA-N -1 0 317.385 3.857 20 0 DHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828222415 978976159 /nfs/dbraw/zinc/97/61/59/978976159.db2.gz AMRMCRXWEWUKHY-ZDUSSCGKSA-N -1 0 309.793 3.689 20 0 DHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828222413 978976492 /nfs/dbraw/zinc/97/64/92/978976492.db2.gz AMRMCRXWEWUKHY-CYBMUJFWSA-N -1 0 309.793 3.689 20 0 DHADRM CCS[C@H](C)c1noc(CNc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000830149617 979013973 /nfs/dbraw/zinc/01/39/73/979013973.db2.gz IYKJOIFXGJBCSF-SNVBAGLBSA-N -1 0 321.402 3.502 20 0 DHADRM COc1ccc(OC(F)F)c(/C=C\c2cc(C(=O)[O-])ccn2)c1 ZINC000581086135 1014549473 /nfs/dbraw/zinc/54/94/73/1014549473.db2.gz SBKHJQHSLNISKL-IHWYPQMZSA-N -1 0 321.279 3.560 20 0 DHADRM CC[C@@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)(C)C ZINC001595036322 979193946 /nfs/dbraw/zinc/19/39/46/979193946.db2.gz AAVDGJBINHACBL-MAZHCROVSA-N -1 0 317.429 3.878 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595036724 979199991 /nfs/dbraw/zinc/19/99/91/979199991.db2.gz XSMZVBFKQQZSBR-HOCLYGCPSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@@H](CC(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC)C(C)C ZINC001595037015 979202384 /nfs/dbraw/zinc/20/23/84/979202384.db2.gz NEXZJXWJPWOICJ-LEJCZOIISA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595042372 979233182 /nfs/dbraw/zinc/23/31/82/979233182.db2.gz KSTOLGJDOOCJCM-VIFPVBQESA-N -1 0 322.311 3.553 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001595042411 979234519 /nfs/dbraw/zinc/23/45/19/979234519.db2.gz LLICURYZNNZQEV-SSDOTTSWSA-N -1 0 305.708 3.658 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001595042926 979240596 /nfs/dbraw/zinc/24/05/96/979240596.db2.gz YEYLTZDNGXKSPO-UFBFGSQYSA-N -1 0 320.719 3.690 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C(F)=C\C2CCCCC2)c1 ZINC000836717066 979248901 /nfs/dbraw/zinc/24/89/01/979248901.db2.gz RJEPCDXTMBNKAB-XNTDXEJSSA-N -1 0 305.349 3.686 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C=C1CCCC1)c1cccc2ccccc21 ZINC000836752672 979258072 /nfs/dbraw/zinc/25/80/72/979258072.db2.gz LNFRJVDTMFMCCW-GOSISDBHSA-N -1 0 323.392 3.972 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccc(C)cc1 ZINC001595048674 979267046 /nfs/dbraw/zinc/26/70/46/979267046.db2.gz GXPUELGGNKICIL-SDNWHVSQSA-N -1 0 303.402 3.548 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccccc1C ZINC001595049372 979271730 /nfs/dbraw/zinc/27/17/30/979271730.db2.gz BAAGLWSMSVNHPT-SDNWHVSQSA-N -1 0 303.402 3.548 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC001595050533 979279010 /nfs/dbraw/zinc/27/90/10/979279010.db2.gz RVILDZIMYWKNJU-UHFFFAOYSA-N -1 0 317.389 3.631 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2c(cccc2C)o1 ZINC001595053414 979287263 /nfs/dbraw/zinc/28/72/63/979287263.db2.gz KXZQHFYGECLROL-UHFFFAOYSA-N -1 0 303.358 3.505 20 0 DHADRM CCC(CC)(CC)SCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001595060377 979317394 /nfs/dbraw/zinc/31/73/94/979317394.db2.gz RDNGWHWODPUHQZ-UHFFFAOYSA-N -1 0 315.479 3.592 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1N1CCCC1 ZINC000842565791 979318689 /nfs/dbraw/zinc/31/86/89/979318689.db2.gz KGSZSGVGRHDTLP-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM CCC(CC)(CNC(=O)c1cc(C)c(Cl)cc1C)C(=O)[O-] ZINC001595073190 979345753 /nfs/dbraw/zinc/34/57/53/979345753.db2.gz IOGLCNWFFSBVSA-UHFFFAOYSA-N -1 0 311.809 3.578 20 0 DHADRM CCC(CC)(NC(=O)C[C@H]1C[C@H](C)c2c1cccc2C)C(=O)[O-] ZINC001595090629 979382972 /nfs/dbraw/zinc/38/29/72/979382972.db2.gz KENDHCSKDIHNIX-UONOGXRCSA-N -1 0 317.429 3.736 20 0 DHADRM O=C([O-])CCCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000844250809 979393712 /nfs/dbraw/zinc/39/37/12/979393712.db2.gz ZSKLWNOMUAGNRW-QGZVFWFLSA-N -1 0 311.381 3.758 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C/C2CCCC2)cc1)C(=O)[O-] ZINC000846119258 979406640 /nfs/dbraw/zinc/40/66/40/979406640.db2.gz ZEAWBORJVAYXOO-YKWSONSWSA-N -1 0 301.386 3.635 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595106615 979434024 /nfs/dbraw/zinc/43/40/24/979434024.db2.gz UOMBALMFFUQAEX-SECBINFHSA-N -1 0 312.435 3.976 20 0 DHADRM CCC(CC)N(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595114422 979464041 /nfs/dbraw/zinc/46/40/41/979464041.db2.gz LKXRQSYLJXDGTD-UHFFFAOYSA-N -1 0 314.332 3.705 20 0 DHADRM CCC(CC)Oc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC001595121764 979496147 /nfs/dbraw/zinc/49/61/47/979496147.db2.gz UXGSTGVBDDLJFI-UHFFFAOYSA-N -1 0 321.417 3.627 20 0 DHADRM CCC(CC)Oc1ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC001595121849 979497350 /nfs/dbraw/zinc/49/73/50/979497350.db2.gz XSNHBSASLAMPJW-SFHVURJKSA-N -1 0 321.417 3.627 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001595125661 979509025 /nfs/dbraw/zinc/50/90/25/979509025.db2.gz FOSSQHUKSQDIRN-NUEKZKHPSA-N -1 0 309.450 3.695 20 0 DHADRM CSC(C)(C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000851598378 979515961 /nfs/dbraw/zinc/51/59/61/979515961.db2.gz SJOPBDVDTDYJRB-UHFFFAOYSA-N -1 0 309.412 3.680 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595126518 979518275 /nfs/dbraw/zinc/51/82/75/979518275.db2.gz WAGHTSKOYXWSGR-UTSKFRMZSA-N -1 0 321.461 3.599 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000851603485 979526067 /nfs/dbraw/zinc/52/60/67/979526067.db2.gz RTRBUWFXGITFOE-YVEFUNNKSA-N -1 0 309.381 3.807 20 0 DHADRM C[C@H](CSCc1ccc(OCc2ccccc2)nc1)C(=O)[O-] ZINC001592825945 979546716 /nfs/dbraw/zinc/54/67/16/979546716.db2.gz PNFODYRXRUOXMI-CYBMUJFWSA-N -1 0 317.410 3.615 20 0 DHADRM C[C@H](CSc1ccnc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001592831903 979560566 /nfs/dbraw/zinc/56/05/66/979560566.db2.gz INKBROJBOFGRKZ-SECBINFHSA-N -1 0 308.790 3.610 20 0 DHADRM Cc1cc(NC(=O)CC[C@@H]2CC2(Cl)Cl)ccc1C(=O)[O-] ZINC000851694841 979566545 /nfs/dbraw/zinc/56/65/45/979566545.db2.gz SIIZYIWIAOOARK-SECBINFHSA-N -1 0 316.184 3.606 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)/C=C\C1CCCC1 ZINC000856979745 979617166 /nfs/dbraw/zinc/61/71/66/979617166.db2.gz CNVDCZZZLMDTHS-ZDSADJCOSA-N -1 0 313.397 3.550 20 0 DHADRM C[C@H](NC(=O)C=C1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000856993042 979620613 /nfs/dbraw/zinc/62/06/13/979620613.db2.gz IGKBEEITYLEXCY-JTQLQIEISA-N -1 0 322.430 3.545 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C23CCC(CC2)CC3)cc1)C(=O)[O-] ZINC001592859056 979679499 /nfs/dbraw/zinc/67/94/99/979679499.db2.gz YLVUKKIVDXMHAZ-VFPJAPOESA-N -1 0 315.413 3.859 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCC12CC2)c1cccc(Cl)c1 ZINC000864126356 979726822 /nfs/dbraw/zinc/72/68/22/979726822.db2.gz GWKFXPPOFXEJJF-KBPBESRZSA-N -1 0 321.804 3.552 20 0 DHADRM CC[C@H](CNc1nc(C(=O)[O-])c(C)s1)Oc1cccc(C)c1 ZINC001595172420 979741689 /nfs/dbraw/zinc/74/16/89/979741689.db2.gz CLGQIAFFXBSEQU-GFCCVEGCSA-N -1 0 320.414 3.728 20 0 DHADRM C[C@H](Cc1ccc(NCc2csc(Cl)n2)cc1)C(=O)[O-] ZINC001592877329 979744088 /nfs/dbraw/zinc/74/40/88/979744088.db2.gz JWOSVCVKARHEIQ-SECBINFHSA-N -1 0 310.806 3.672 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864165112 979788103 /nfs/dbraw/zinc/78/81/03/979788103.db2.gz AQHWOJRZWFQYLJ-REMYHPOOSA-N -1 0 313.397 3.503 20 0 DHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)cc1 ZINC000864177283 979820663 /nfs/dbraw/zinc/82/06/63/979820663.db2.gz LOKJMUMYGQKPIF-KRWDZBQOSA-N -1 0 323.392 3.631 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]2CCCC[C@@H]21 ZINC000864177670 979822065 /nfs/dbraw/zinc/82/20/65/979822065.db2.gz QBQTWCGVLBQYGL-IXPVHAAZSA-N -1 0 321.804 3.689 20 0 DHADRM Cc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)cc1C(=O)[O-] ZINC000864178212 979823762 /nfs/dbraw/zinc/82/37/62/979823762.db2.gz ZJAALBAPIMCUBN-UHFFFAOYSA-N -1 0 309.365 3.513 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000864179253 979825455 /nfs/dbraw/zinc/82/54/55/979825455.db2.gz SBXIEIMFFWLMOE-ZIAGYGMSSA-N -1 0 319.401 3.613 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864190174 979841964 /nfs/dbraw/zinc/84/19/64/979841964.db2.gz UUMMCZHFRAVUHG-JJRVBVJISA-N -1 0 307.365 3.732 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193241 979851253 /nfs/dbraw/zinc/85/12/53/979851253.db2.gz NCVZVXIEBCLJOU-ZDUSSCGKSA-N -1 0 307.390 3.591 20 0 DHADRM C/C(=C/C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1Cl ZINC000864200236 979875708 /nfs/dbraw/zinc/87/57/08/979875708.db2.gz UHNRZSJEFSDAJS-FPISAVPCSA-N -1 0 321.804 3.503 20 0 DHADRM CC[C@@H](COc1ccccc1[C@@H](OC)C(=O)[O-])CC(F)F ZINC001595198541 979927122 /nfs/dbraw/zinc/92/71/22/979927122.db2.gz PHKHWLBIQDAHNE-QMTHXVAHSA-N -1 0 302.317 3.519 20 0 DHADRM CC(C)(C)c1ncc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000871065000 979955853 /nfs/dbraw/zinc/95/58/53/979955853.db2.gz FOORADRTBDERTH-UHFFFAOYSA-N -1 0 324.384 3.566 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595210659 979985124 /nfs/dbraw/zinc/98/51/24/979985124.db2.gz ILSPHDCWPDIDAZ-JKSUJKDBSA-N -1 0 319.445 3.569 20 0 DHADRM CC(F)(F)CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001592935782 979997736 /nfs/dbraw/zinc/99/77/36/979997736.db2.gz LNTJBDNKJRSOIQ-CQSZACIVSA-N -1 0 321.323 3.517 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000520954834 1014620862 /nfs/dbraw/zinc/62/08/62/1014620862.db2.gz BEDTWWXCEBDECT-UHFFFAOYSA-N -1 0 309.431 3.589 20 0 DHADRM C[C@H](N(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1(C)CC1 ZINC001592950328 980027462 /nfs/dbraw/zinc/02/74/62/980027462.db2.gz DPRXUNUINSATNP-JTQLQIEISA-N -1 0 315.373 3.518 20 0 DHADRM C[C@@H](N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1(C)CC1 ZINC001592950637 980029341 /nfs/dbraw/zinc/02/93/41/980029341.db2.gz LIJSJPVMGGVFMG-BYCMXARLSA-N -1 0 316.401 3.527 20 0 DHADRM CC[C@@](NC(=O)[C@@H]1CCC(C)=C(C)C1)(C(=O)[O-])c1ccccc1 ZINC001595236789 980138809 /nfs/dbraw/zinc/13/88/09/980138809.db2.gz MTXHDQDVDJZXDJ-BEFAXECRSA-N -1 0 315.413 3.629 20 0 DHADRM CC[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC001595237677 980148610 /nfs/dbraw/zinc/14/86/10/980148610.db2.gz PVNXCWMLNDUKEW-FDMDGMSGSA-N -1 0 313.353 3.567 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000899536655 980228391 /nfs/dbraw/zinc/22/83/91/980228391.db2.gz LXWBXKNALXNLLN-UHFFFAOYSA-N -1 0 311.337 3.985 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)[C@H]1CC1(C)C ZINC001595256380 980236770 /nfs/dbraw/zinc/23/67/70/980236770.db2.gz BLLXSZBDMUJZEH-DFBGVHRSSA-N -1 0 318.417 3.821 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001595257617 980247752 /nfs/dbraw/zinc/24/77/52/980247752.db2.gz SGARVCKNCGKOAI-GJZGRUSLSA-N -1 0 318.417 3.650 20 0 DHADRM CC(=O)c1c(Cl)cccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000900963486 980255045 /nfs/dbraw/zinc/25/50/45/980255045.db2.gz YUXGBWKCAOHYJM-GFCCVEGCSA-N -1 0 309.793 3.624 20 0 DHADRM O=C([O-])CCCCCCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC000901433854 980281712 /nfs/dbraw/zinc/28/17/12/980281712.db2.gz MGNCYEDFPBECAT-INIZCTEOSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCc3cccnc3CC2)cc1 ZINC000901512232 980329129 /nfs/dbraw/zinc/32/91/29/980329129.db2.gz FUMJSVALWGSDLD-MRXNPFEDSA-N -1 0 324.424 3.803 20 0 DHADRM O=C([O-])c1c[nH]c2cc(N[C@H]3CCc4cccnc4CC3)ccc12 ZINC000901538982 980366404 /nfs/dbraw/zinc/36/64/04/980366404.db2.gz GAFLCHCRKWSTDW-ZDUSSCGKSA-N -1 0 321.380 3.621 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)s1)c1cccs1 ZINC000901597901 980399026 /nfs/dbraw/zinc/39/90/26/980399026.db2.gz KCRSBLPONJSYCY-SNVBAGLBSA-N -1 0 321.345 3.744 20 0 DHADRM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)s1)c1cccs1 ZINC000901597900 980399150 /nfs/dbraw/zinc/39/91/50/980399150.db2.gz KCRSBLPONJSYCY-JTQLQIEISA-N -1 0 321.345 3.744 20 0 DHADRM C[C@@H](Cc1ccc(N[C@@H]2CCCC23CCOCC3)cc1)C(=O)[O-] ZINC000901731227 980469876 /nfs/dbraw/zinc/46/98/76/980469876.db2.gz FJJXLNMTEAIABS-WMLDXEAASA-N -1 0 317.429 3.711 20 0 DHADRM COCc1cc(NC2CCC(C(F)F)CC2)cc(C(=O)[O-])c1 ZINC000901734931 980471144 /nfs/dbraw/zinc/47/11/44/980471144.db2.gz 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Cc1ccc([C@@H](N[C@@H](C)c2cc3cnccc3o2)C(=O)[O-])cc1C ZINC000901843053 980564093 /nfs/dbraw/zinc/56/40/93/980564093.db2.gz DCJUPEVDLBNBIH-SCLBCKFNSA-N -1 0 324.380 3.921 20 0 DHADRM C[C@H](Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902080595 980722781 /nfs/dbraw/zinc/72/27/81/980722781.db2.gz SHSZMLAUIGWDHL-TVYUQYBPSA-N -1 0 309.456 3.686 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cscc1C ZINC001595360926 980756864 /nfs/dbraw/zinc/75/68/64/980756864.db2.gz QAOIYGLGHMFONU-OAHLLOKOSA-N -1 0 317.410 3.735 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1C ZINC001595361186 980760146 /nfs/dbraw/zinc/76/01/46/980760146.db2.gz DUIZVPLOFCZVIQ-DJIMGWMZSA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CCCC1(C)C ZINC001595361393 980761868 /nfs/dbraw/zinc/76/18/68/980761868.db2.gz HHTAXDJOXHMLIW-CVEARBPZSA-N -1 0 317.429 3.877 20 0 DHADRM CC[C@@H](c1nnc(S[C@H](C(=O)[O-])C2CC2)o1)c1ccccc1 ZINC001595363453 980782233 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318.417 3.606 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(Cl)cn2)cc1 ZINC000904013575 981081119 /nfs/dbraw/zinc/08/11/19/981081119.db2.gz HOMUFOUAVKXEOJ-UHFFFAOYSA-N -1 0 304.777 3.709 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595441953 981081625 /nfs/dbraw/zinc/08/16/25/981081625.db2.gz WMRUNBBMDHHWDV-QAQJPARQSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001595444548 981088925 /nfs/dbraw/zinc/08/89/25/981088925.db2.gz QYDIIQWFFFHFRZ-IUCAKERBSA-N -1 0 302.827 3.900 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595445155 981091910 /nfs/dbraw/zinc/09/19/10/981091910.db2.gz WTQOMOKEFZFUKY-HUUCEWRRSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595445398 981092913 /nfs/dbraw/zinc/09/29/13/981092913.db2.gz ZJYUHXIJOBBFNS-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001595451215 981106600 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O=C([O-])CN(C(=O)c1cc(C2CC2)oc1C1CC1)C1CCCC1 ZINC000907719881 981210996 /nfs/dbraw/zinc/21/09/96/981210996.db2.gz WAGUGZUTCXMAHH-UHFFFAOYSA-N -1 0 317.385 3.504 20 0 DHADRM C/C=C/C[C@H](NC(=O)N[C@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000521528033 1014720050 /nfs/dbraw/zinc/72/00/50/1014720050.db2.gz KRSYSZARINSVDN-JRFBKZHLSA-N -1 0 324.808 3.510 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000909487813 1014720297 /nfs/dbraw/zinc/72/02/97/1014720297.db2.gz MLPDQIHDJITNTL-CYBMUJFWSA-N -1 0 311.381 3.503 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595504296 981278303 /nfs/dbraw/zinc/27/83/03/981278303.db2.gz JQWCOXHQROBHEG-QGZVFWFLSA-N -1 0 309.365 3.800 20 0 DHADRM COc1ccc(C)cc1Cc1nc(=O)c2sc(C)cc2[n-]1 ZINC000656490391 1014720991 /nfs/dbraw/zinc/72/09/91/1014720991.db2.gz BVBGTPHKTXYVPQ-UHFFFAOYSA-N -1 0 300.383 3.613 20 0 DHADRM CCCC(=CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)CCC ZINC001595522951 981346166 /nfs/dbraw/zinc/34/61/66/981346166.db2.gz 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CCC[C@](C)(NC(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001595553616 981430870 /nfs/dbraw/zinc/43/08/70/981430870.db2.gz LCPNOWVTWMYAMR-SFHVURJKSA-N -1 0 315.369 3.732 20 0 DHADRM C[C@]1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC=CCC1 ZINC000909224609 981436483 /nfs/dbraw/zinc/43/64/83/981436483.db2.gz DUCVYDRWOZMIBT-KRWDZBQOSA-N -1 0 319.426 3.689 20 0 DHADRM CCC[C@](C)(NC(=O)c1ccc(OC(CC)CC)cc1)C(=O)[O-] ZINC001595554416 981436557 /nfs/dbraw/zinc/43/65/57/981436557.db2.gz ZJNQJNAWQKRHPT-SFHVURJKSA-N -1 0 321.417 3.627 20 0 DHADRM CC/C(C)=C(\C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909226860 981437813 /nfs/dbraw/zinc/43/78/13/981437813.db2.gz YFEOTFVBKBBTQW-VAWYXSNFSA-N -1 0 307.415 3.689 20 0 DHADRM CCC/C(C)=C\C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595567250 981466601 /nfs/dbraw/zinc/46/66/01/981466601.db2.gz XDTVSJYKVPTTSX-QXMHVHEDSA-N -1 0 301.386 3.719 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595570855 981476244 /nfs/dbraw/zinc/47/62/44/981476244.db2.gz JQPJVWGDMXBSOI-NSHDSACASA-N -1 0 300.358 3.698 20 0 DHADRM CCC[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595574814 981493057 /nfs/dbraw/zinc/49/30/57/981493057.db2.gz XRTRYMRUBDXCSL-CABZTGNLSA-N -1 0 318.291 3.968 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595574845 981493897 /nfs/dbraw/zinc/49/38/97/981493897.db2.gz XZQVLBKANRWKAB-LSDHHAIUSA-N -1 0 324.465 3.632 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595579914 981511943 /nfs/dbraw/zinc/51/19/43/981511943.db2.gz WGSCTCWXRKMSKH-HNNXBMFYSA-N -1 0 317.429 3.732 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C(F)(F)F)CCC1 ZINC000909513028 981520422 /nfs/dbraw/zinc/52/04/22/981520422.db2.gz LXGHIZWTNWMUED-UHFFFAOYSA-N -1 0 315.291 3.673 20 0 DHADRM CCC[C@@H](CC)C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595585969 981527796 /nfs/dbraw/zinc/52/77/96/981527796.db2.gz KDFQYEUJJAKSIC-GDBMZVCRSA-N -1 0 305.418 3.877 20 0 DHADRM CCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595586291 981531339 /nfs/dbraw/zinc/53/13/39/981531339.db2.gz VAUDEOYVHVAWFH-VIFPVBQESA-N -1 0 315.316 3.751 20 0 DHADRM CCC[C@@H](CC)S[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595587092 981538931 /nfs/dbraw/zinc/53/89/31/981538931.db2.gz AJVGCVAZRLZKHS-KGLIPLIRSA-N -1 0 310.415 3.911 20 0 DHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC000909576966 981546337 /nfs/dbraw/zinc/54/63/37/981546337.db2.gz KZAKGXFWMMDIAG-LLVKDONJSA-N -1 0 317.341 3.716 20 0 DHADRM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc(Cl)c1O ZINC000442858349 1014750072 /nfs/dbraw/zinc/75/00/72/1014750072.db2.gz RUZIYCXRFOGAIG-ZYHUDNBSSA-N -1 0 311.809 3.705 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595617478 981653868 /nfs/dbraw/zinc/65/38/68/981653868.db2.gz NQGGXCJNWSCVQX-GJZGRUSLSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595620232 981687048 /nfs/dbraw/zinc/68/70/48/981687048.db2.gz ADUPDEACHIJFRJ-JQWIXIFHSA-N -1 0 322.430 3.553 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC001594762173 981697905 /nfs/dbraw/zinc/69/79/05/981697905.db2.gz SEARZLONFBEMAB-AWEZNQCLSA-N -1 0 313.353 3.837 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C(C)=C/c1ccco1)c1ccccc1 ZINC001594763797 981701949 /nfs/dbraw/zinc/70/19/49/981701949.db2.gz FYEZVFGVEZCFOR-CJTWTEFWSA-N -1 0 313.353 3.579 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595622204 981707185 /nfs/dbraw/zinc/70/71/85/981707185.db2.gz SHPPVRKZLBQMKP-INWMFGNUSA-N -1 0 321.392 3.592 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595622844 981714863 /nfs/dbraw/zinc/71/48/63/981714863.db2.gz WHUUAZGLPPFIOB-NVXWUHKLSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C)cs1)c1ccccc1 ZINC001594767939 981727398 /nfs/dbraw/zinc/72/73/98/981727398.db2.gz MSVYRBCZGZNXRL-ZDUSSCGKSA-N -1 0 303.383 3.567 20 0 DHADRM CCC/C=C\C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595624223 981729639 /nfs/dbraw/zinc/72/96/39/981729639.db2.gz PPSXUBTZTYXFGM-WLMCBFPDSA-N -1 0 309.793 3.502 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC001594768370 981730215 /nfs/dbraw/zinc/73/02/15/981730215.db2.gz XCKLQNXGWDDUDB-IJEWVQPXSA-N -1 0 303.402 3.709 20 0 DHADRM CCCC[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)C(C)C ZINC001595627852 981777763 /nfs/dbraw/zinc/77/77/63/981777763.db2.gz WTIJOMTYESXZEN-DLBZAZTESA-N -1 0 319.445 3.651 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC(C)(C)CC(F)F ZINC001594781524 981787392 /nfs/dbraw/zinc/78/73/92/981787392.db2.gz KMFQFBPMJBRAIB-INIZCTEOSA-N -1 0 319.392 3.550 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC000910230535 981794463 /nfs/dbraw/zinc/79/44/63/981794463.db2.gz XXBUJAFVJPAWBQ-UHFFFAOYSA-N -1 0 321.760 3.936 20 0 DHADRM Cc1coc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc12 ZINC000910232539 981796315 /nfs/dbraw/zinc/79/63/15/981796315.db2.gz VTQJTIHQRRXGSH-UHFFFAOYSA-N -1 0 313.353 3.715 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595630351 981819255 /nfs/dbraw/zinc/81/92/55/981819255.db2.gz CNUMSXVGNGEZTH-CQSZACIVSA-N -1 0 301.745 3.895 20 0 DHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C=C1CCC1 ZINC000910252449 981827477 /nfs/dbraw/zinc/82/74/77/981827477.db2.gz HGIKYJWVRKYJEL-UHFFFAOYSA-N -1 0 324.174 3.505 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H](C)CC(=O)[O-])c2)o1 ZINC000910254238 981830220 /nfs/dbraw/zinc/83/02/20/981830220.db2.gz IABQOVQONLEKFV-NSHDSACASA-N -1 0 301.342 3.613 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCC1CCCCC1 ZINC001594789501 981839158 /nfs/dbraw/zinc/83/91/58/981839158.db2.gz BDKLLBFBYGNWGP-QGZVFWFLSA-N -1 0 311.422 3.669 20 0 DHADRM CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001595631747 981843372 /nfs/dbraw/zinc/84/33/72/981843372.db2.gz AZQLYWXEOQTSNJ-CYBMUJFWSA-N -1 0 306.406 3.601 20 0 DHADRM CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595631980 981847124 /nfs/dbraw/zinc/84/71/24/981847124.db2.gz MOYSCYLLUVSQFB-CYBMUJFWSA-N -1 0 321.421 3.993 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595632045 981848005 /nfs/dbraw/zinc/84/80/05/981848005.db2.gz POGQXULOBANSQZ-ZDUSSCGKSA-N -1 0 321.421 3.993 20 0 DHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000910299720 981855624 /nfs/dbraw/zinc/85/56/24/981855624.db2.gz AENKFWPTSCKVNB-LLVKDONJSA-N -1 0 316.405 3.521 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCc1ccccc1C ZINC001594793569 981865512 /nfs/dbraw/zinc/86/55/12/981865512.db2.gz UXLBKDSRLNNBEJ-SFHVURJKSA-N -1 0 319.401 3.597 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594794483 981871899 /nfs/dbraw/zinc/87/18/99/981871899.db2.gz MZUQIPGVWHTDEB-BYCMXARLSA-N -1 0 318.417 3.821 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001594797288 981885995 /nfs/dbraw/zinc/88/59/95/981885995.db2.gz XFWPIYKZJRYOAA-UHFFFAOYSA-N -1 0 324.446 3.566 20 0 DHADRM CCCC[C@H](NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)C(=O)[O-] ZINC001595634497 981889030 /nfs/dbraw/zinc/88/90/30/981889030.db2.gz IWQPCZMZKZUMAG-IYVNGONDSA-N -1 0 309.450 3.765 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC000910387686 981909990 /nfs/dbraw/zinc/90/99/90/981909990.db2.gz FZMJANHNPJZNIY-FZMZJTMJSA-N -1 0 323.820 3.545 20 0 DHADRM CCCC[C@@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001595636731 981921552 /nfs/dbraw/zinc/92/15/52/981921552.db2.gz NKAAPKPRXAARBF-CQSZACIVSA-N -1 0 311.809 3.666 20 0 DHADRM CCC(C)(C)OCc1ccccc1NC(=O)CCCCC(=O)[O-] ZINC001594814151 981935940 /nfs/dbraw/zinc/93/59/40/981935940.db2.gz GRTUJHKYTDVUSB-UHFFFAOYSA-N -1 0 321.417 3.975 20 0 DHADRM CCC(C)(C)c1ccc(COC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001594815482 981942293 /nfs/dbraw/zinc/94/22/93/981942293.db2.gz AFPSEKWZBSAOFQ-OKILXGFUSA-N -1 0 304.386 3.528 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001594816291 981950118 /nfs/dbraw/zinc/95/01/18/981950118.db2.gz CQOCRSTVVPPXQF-VSRDTVRMSA-N -1 0 317.429 3.757 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC(C)(C)CC(F)F ZINC000910503403 981968937 /nfs/dbraw/zinc/96/89/37/981968937.db2.gz AVXLYEFRNHIJKB-UHFFFAOYSA-N -1 0 321.408 3.653 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1coc2ccccc12 ZINC000910510414 981975814 /nfs/dbraw/zinc/97/58/14/981975814.db2.gz JCBDGYFXQUUSIO-UHFFFAOYSA-N -1 0 317.385 3.642 20 0 DHADRM C[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000910543365 981988121 /nfs/dbraw/zinc/98/81/21/981988121.db2.gz CCFSGJCIDSRPTC-IFXJQAMLSA-N -1 0 323.392 3.537 20 0 DHADRM Cc1cc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910543827 981988461 /nfs/dbraw/zinc/98/84/61/981988461.db2.gz DPTYJEDWMVZAFJ-NHYWBVRUSA-N -1 0 313.353 3.510 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000910543362 981988726 /nfs/dbraw/zinc/98/87/26/981988726.db2.gz CCFSGJCIDSRPTC-AUUYWEPGSA-N -1 0 323.392 3.537 20 0 DHADRM CCC(C)(CC)NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594829827 982007186 /nfs/dbraw/zinc/00/71/86/982007186.db2.gz DREMKLAXQRMADI-UHFFFAOYSA-N -1 0 303.362 3.566 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC001595651226 982018841 /nfs/dbraw/zinc/01/88/41/982018841.db2.gz DFBUAEHLDBVKMG-JSGCOSHPSA-N -1 0 315.479 3.543 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC001595651228 982019726 /nfs/dbraw/zinc/01/97/26/982019726.db2.gz DFBUAEHLDBVKMG-OCCSQVGLSA-N -1 0 315.479 3.543 20 0 DHADRM CCCC[C@@H](Sc1nc(CC)nc2sccc21)C(=O)[O-] ZINC001595657747 982065920 /nfs/dbraw/zinc/06/59/20/982065920.db2.gz REDRMHGSXBCKEG-SNVBAGLBSA-N -1 0 310.444 3.989 20 0 DHADRM CCCCC1CCC(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001595660243 982069201 /nfs/dbraw/zinc/06/92/01/982069201.db2.gz BQFBEGHRYAFRFG-JTTJXQCZSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H](C)c2cccs2)nc1C(=O)[O-] ZINC000910700456 982070875 /nfs/dbraw/zinc/07/08/75/982070875.db2.gz ZNTUSCINVAFLKI-MRVPVSSYSA-N -1 0 324.427 3.768 20 0 DHADRM CCCCCC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595662422 982079374 /nfs/dbraw/zinc/07/93/74/982079374.db2.gz DCKIILAOZRFJGJ-CQSZACIVSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595662679 982079891 /nfs/dbraw/zinc/07/98/91/982079891.db2.gz IMEKLJNZOGUMTA-UHFFFAOYSA-N -1 0 309.381 3.860 20 0 DHADRM CCC[C@@H](CC)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910721721 982084209 /nfs/dbraw/zinc/08/42/09/982084209.db2.gz WOLUZLYGAWZCER-NEPJUHHUSA-N -1 0 324.446 3.640 20 0 DHADRM CC/C(C)=C(\C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910724738 982088424 /nfs/dbraw/zinc/08/84/24/982088424.db2.gz SYLSYLDHIAHTGQ-VMPCVLLUSA-N -1 0 322.430 3.560 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccsc1 ZINC000910732763 982094159 /nfs/dbraw/zinc/09/41/59/982094159.db2.gz MJRSOMGISQEHIW-SSDOTTSWSA-N -1 0 322.411 3.522 20 0 DHADRM CCCCC[C@H](C)CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595666256 982098594 /nfs/dbraw/zinc/09/85/94/982098594.db2.gz HAQLYTXZUTXTJY-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@H](C)CC(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595666612 982105618 /nfs/dbraw/zinc/10/56/18/982105618.db2.gz PAPWZOIVEBSUDY-JTQLQIEISA-N -1 0 313.419 3.799 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595668549 982110351 /nfs/dbraw/zinc/11/03/51/982110351.db2.gz AUDZKFKHMFMYQU-WMLDXEAASA-N -1 0 317.429 3.631 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001595668578 982111327 /nfs/dbraw/zinc/11/13/27/982111327.db2.gz BNCQUEMYSKBRSH-SSHXOBKSSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@@H](NC(=O)C1(c2ccc(C)cc2)CCC1)C(=O)[O-] ZINC001595669240 982113045 /nfs/dbraw/zinc/11/30/45/982113045.db2.gz GNRZSOHJBUQFHQ-MRXNPFEDSA-N -1 0 317.429 3.566 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595669279 982113272 /nfs/dbraw/zinc/11/32/72/982113272.db2.gz GXRPHPYCVPQDFT-RISCZKNCSA-N -1 0 311.809 3.593 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595670304 982116853 /nfs/dbraw/zinc/11/68/53/982116853.db2.gz OLNFMWWBTNQISS-STQMWFEESA-N -1 0 311.447 3.987 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595670332 982118211 /nfs/dbraw/zinc/11/82/11/982118211.db2.gz OVIHPKBRHSRMEF-GJZGRUSLSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001595671699 982124575 /nfs/dbraw/zinc/12/45/75/982124575.db2.gz AUTGMNJGRNAXFR-DZGCQCFKSA-N -1 0 323.820 3.520 20 0 DHADRM CC/C(C)=C(\C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594861220 982145536 /nfs/dbraw/zinc/14/55/36/982145536.db2.gz BZVGUHCIGIKMBJ-OUKQBFOZSA-N -1 0 316.401 3.670 20 0 DHADRM CC[C@H](C)C(=O)CSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001594864142 982156704 /nfs/dbraw/zinc/15/67/04/982156704.db2.gz BGALWPKRJGVNJS-ZETCQYMHSA-N -1 0 321.320 3.506 20 0 DHADRM CCCCCC[C@](C)(CCC)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595694479 982211536 /nfs/dbraw/zinc/21/15/36/982211536.db2.gz BPQASSHTLKDHMC-RKVPGOIHSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCCC[C@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595694979 982216173 /nfs/dbraw/zinc/21/61/73/982216173.db2.gz MMIBPWHIYLDYPB-BBRMVZONSA-N -1 0 323.408 3.717 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001595695327 982217890 /nfs/dbraw/zinc/21/78/90/982217890.db2.gz RXOMXLZJERHXCA-YHUYYLMFSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](c2ccccc2)CC1(C)C ZINC000911061893 982220870 /nfs/dbraw/zinc/22/08/70/982220870.db2.gz KSEFGDCINPGFHF-HNNXBMFYSA-N -1 0 317.429 3.672 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)NCc1ccccc1C(=O)[O-] ZINC001595698238 982249266 /nfs/dbraw/zinc/24/92/66/982249266.db2.gz PRYTXADQCNKHML-CQSZACIVSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001595698284 982249776 /nfs/dbraw/zinc/24/97/76/982249776.db2.gz QMZCAOXROYNBHT-CYBMUJFWSA-N -1 0 323.458 3.952 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594883689 982255224 /nfs/dbraw/zinc/25/52/24/982255224.db2.gz VZDDDGGEAAPCOG-JGVFFNPUSA-N -1 0 316.760 3.733 20 0 DHADRM CCCCCC[C@@H]1CCC[C@H]1Nc1cnn(CC(=O)[O-])c1C ZINC001595703523 982269525 /nfs/dbraw/zinc/26/95/25/982269525.db2.gz UGIZUFPXNQCKEI-HUUCEWRRSA-N -1 0 307.438 3.827 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595710141 982293629 /nfs/dbraw/zinc/29/36/29/982293629.db2.gz DTKJDERQLZPKSF-CYBMUJFWSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCN(C(=O)Nc1cc(C)c(C(=O)[O-])cn1)C(C)C ZINC001595715206 982312825 /nfs/dbraw/zinc/31/28/25/982312825.db2.gz PNSHOZGWMWXBII-UHFFFAOYSA-N -1 0 307.394 3.521 20 0 DHADRM CCCCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595720810 982332548 /nfs/dbraw/zinc/33/25/48/982332548.db2.gz ALNFOQXEMHFALJ-UHFFFAOYSA-N -1 0 310.419 3.565 20 0 DHADRM CCCCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC001595731760 982363705 /nfs/dbraw/zinc/36/37/05/982363705.db2.gz 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20 0 DHADRM CCCN(C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)[C@H](C)C(=O)[O-] ZINC001595816588 982674174 /nfs/dbraw/zinc/67/41/74/982674174.db2.gz JAIVYLZKBXJUMY-MIOOIYSQSA-N -1 0 309.450 3.717 20 0 DHADRM CCCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(CC)cc1 ZINC001595816640 982674226 /nfs/dbraw/zinc/67/42/26/982674226.db2.gz JQUPKHNHBBRDOG-HOTGVXAUSA-N -1 0 317.429 3.883 20 0 DHADRM CC[C@H](C)C[C@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001594953709 982681405 /nfs/dbraw/zinc/68/14/05/982681405.db2.gz UYMNFBGPSDCQPH-KWQFWETISA-N -1 0 307.419 3.609 20 0 DHADRM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001594958014 982694044 /nfs/dbraw/zinc/69/40/44/982694044.db2.gz OTCQMUNQFZSWNT-RISCZKNCSA-N -1 0 321.417 3.517 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001594958452 982697448 /nfs/dbraw/zinc/69/74/48/982697448.db2.gz BVGXMLIMWMQWFZ-NSHDSACASA-N -1 0 312.435 3.705 20 0 DHADRM CC[C@H](C)CCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001594958527 982698764 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CC[C@H](C)CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594959299 982705903 /nfs/dbraw/zinc/70/59/03/982705903.db2.gz QHNMJXKQJCJTBR-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001594959486 982707028 /nfs/dbraw/zinc/70/70/28/982707028.db2.gz VUBYFDBJRLGWLQ-CQSZACIVSA-N -1 0 321.417 3.719 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594959551 982707965 /nfs/dbraw/zinc/70/79/65/982707965.db2.gz XVDLJIHWLJXJAR-GFCCVEGCSA-N -1 0 309.381 3.747 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001594959584 982708834 /nfs/dbraw/zinc/70/88/34/982708834.db2.gz YKVDLNPFEVRENO-NSHDSACASA-N -1 0 323.389 3.644 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000923090191 982716689 /nfs/dbraw/zinc/71/66/89/982716689.db2.gz DYXLPVLEQWKOIM-UHFFFAOYSA-N -1 0 319.357 3.564 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000923090206 982716721 /nfs/dbraw/zinc/71/67/21/982716721.db2.gz 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/nfs/dbraw/zinc/85/18/61/982851861.db2.gz KCIXCZMFDVHARW-UHFFFAOYSA-N -1 0 321.392 3.956 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(F)c1 ZINC001116329717 982929259 /nfs/dbraw/zinc/92/92/59/982929259.db2.gz IVPZZFCJPIHCNO-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595009576 982935543 /nfs/dbraw/zinc/93/55/43/982935543.db2.gz JHTQWZRVJMPPIS-CRFBAAHOSA-N -1 0 317.429 3.963 20 0 DHADRM CCCOc1ccc(-c2ccccc2CC(=O)[O-])c(OC)c1 ZINC001595951924 983124698 /nfs/dbraw/zinc/12/46/98/983124698.db2.gz GYSMGAYSABGPTK-UHFFFAOYSA-N -1 0 300.354 3.778 20 0 DHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(C)n2C)cc1C ZINC001595966714 983173651 /nfs/dbraw/zinc/17/36/51/983173651.db2.gz PQSKSUOOIMBEJJ-UHFFFAOYSA-N -1 0 316.401 3.741 20 0 DHADRM CCCc1c(C(=O)NCC2(CC(C)C)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037345 983319219 /nfs/dbraw/zinc/31/92/19/983319219.db2.gz MXHHCRJLCGMPTH-UHFFFAOYSA-N -1 0 320.433 3.530 20 0 DHADRM CCCc1c(C(=O)Nc2cscc2C)[nH]c(C)c1C(=O)[O-] ZINC001596047017 983340720 /nfs/dbraw/zinc/34/07/20/983340720.db2.gz OQPATQPJXMEAKF-UHFFFAOYSA-N -1 0 306.387 3.596 20 0 DHADRM CCCc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC001596052906 983353644 /nfs/dbraw/zinc/35/36/44/983353644.db2.gz KMBDNSPVCQSWET-LLVKDONJSA-N -1 0 323.820 3.618 20 0 DHADRM CCCc1cc(C(=O)Nc2cccc(C(=O)[O-])n2)ccc1Cl ZINC001596056892 983362108 /nfs/dbraw/zinc/36/21/08/983362108.db2.gz LEFBKUWVFXZERX-UHFFFAOYSA-N -1 0 318.760 3.638 20 0 DHADRM CCCc1cc(C(=O)OCc2occc2C(=O)[O-])sc1C ZINC001596057125 983363917 /nfs/dbraw/zinc/36/39/17/983363917.db2.gz YSTSPHZIFHGTFS-UHFFFAOYSA-N -1 0 308.355 3.657 20 0 DHADRM CCN(C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C)C(C)(C)C(=O)[O-] ZINC001596133267 983481720 /nfs/dbraw/zinc/48/17/20/983481720.db2.gz ICUSKIAXVVQUKF-KBPBESRZSA-N -1 0 317.429 3.688 20 0 DHADRM CCN(C(=O)Cc1cccc(C2CC2)c1)c1ccccc1C(=O)[O-] ZINC001596143428 983496899 /nfs/dbraw/zinc/49/68/99/983496899.db2.gz NTGRVYGRNZQCTC-UHFFFAOYSA-N -1 0 323.392 3.858 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1cc(C)cc(C)c1 ZINC001596164888 983528422 /nfs/dbraw/zinc/52/84/22/983528422.db2.gz WJZUFGVVFVBQBW-UHFFFAOYSA-N -1 0 311.381 3.977 20 0 DHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000443467403 1014954565 /nfs/dbraw/zinc/95/45/65/1014954565.db2.gz LIWMDMBIIAYNQC-UHFFFAOYSA-N -1 0 319.407 3.711 20 0 DHADRM Cc1nc([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000909509743 1014973749 /nfs/dbraw/zinc/97/37/49/1014973749.db2.gz YOKUOSNHZCAIEB-QWRGUYRKSA-N -1 0 324.446 3.543 20 0 DHADRM CC[C@H](C)c1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)on1 ZINC000349471731 1014971396 /nfs/dbraw/zinc/97/13/96/1014971396.db2.gz WEZYWQLQTQRQRG-VIFPVBQESA-N -1 0 316.357 3.755 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000909509737 1014973986 /nfs/dbraw/zinc/97/39/86/1014973986.db2.gz YOKUOSNHZCAIEB-GHMZBOCLSA-N -1 0 324.446 3.543 20 0 DHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc(C(=O)[O-])c1 ZINC001596354182 983815074 /nfs/dbraw/zinc/81/50/74/983815074.db2.gz BYQCIJLXAMSQDP-UHFFFAOYSA-N -1 0 322.364 3.528 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](C)C(F)(F)F ZINC001596354511 983820296 /nfs/dbraw/zinc/82/02/96/983820296.db2.gz UUCUURZLTZGQDL-MRVPVSSYSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1Cl ZINC001596356630 983826726 /nfs/dbraw/zinc/82/67/26/983826726.db2.gz UHEFFYVOSFNQJA-UHFFFAOYSA-N -1 0 307.777 3.962 20 0 DHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(O)c1 ZINC000443528949 1014982877 /nfs/dbraw/zinc/98/28/77/1014982877.db2.gz KEYKNVOQFBFUBQ-UHFFFAOYSA-N -1 0 323.389 3.630 20 0 DHADRM C=C/C(C)=C\CC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001588684233 983857038 /nfs/dbraw/zinc/85/70/38/983857038.db2.gz NQBVFTACTIFHTJ-LGVHXXEASA-N -1 0 319.426 3.563 20 0 DHADRM CCN(Cc1ccccc1C)c1nc(Cl)c(C(=O)[O-])s1 ZINC001596371921 983874881 /nfs/dbraw/zinc/87/48/81/983874881.db2.gz UQYXVYNQDSXOPS-UHFFFAOYSA-N -1 0 310.806 3.830 20 0 DHADRM CCNc1ccccc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001596504748 984260548 /nfs/dbraw/zinc/26/05/48/984260548.db2.gz RSWPKALZJQUIJD-CQSZACIVSA-N -1 0 312.413 3.994 20 0 DHADRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccoc2)c1 ZINC000350017529 1015024049 /nfs/dbraw/zinc/02/40/49/1015024049.db2.gz QEGGBEONYXODIG-UHFFFAOYSA-N -1 0 309.387 3.505 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(Nc2ccccc2)CC1 ZINC000909513743 1015040612 /nfs/dbraw/zinc/04/06/12/1015040612.db2.gz TVQVEBZGRKFSLI-UHFFFAOYSA-N -1 0 324.380 3.585 20 0 DHADRM C/C(=C\C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC001588933328 984612238 /nfs/dbraw/zinc/61/22/38/984612238.db2.gz QZGPXXVHNSRBGD-ZRDIBKRKSA-N -1 0 315.394 3.508 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccco1 ZINC001588943960 984643483 /nfs/dbraw/zinc/64/34/83/984643483.db2.gz KKUZLWOZDOUEKN-CLFYSBASSA-N -1 0 305.717 3.673 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC001588944300 984646763 /nfs/dbraw/zinc/64/67/63/984646763.db2.gz VRFDDYVSOUVAIJ-BQYQJAHWSA-N -1 0 323.320 3.767 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588944517 984649159 /nfs/dbraw/zinc/64/91/59/984649159.db2.gz YOOKAOYQDBYURD-KTKRTIGZSA-N -1 0 317.291 3.705 20 0 DHADRM C[C@H](CC(=O)[O-])Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC001599889159 984673475 /nfs/dbraw/zinc/67/34/75/984673475.db2.gz BFIDLQJBHLHSRJ-GFCCVEGCSA-N -1 0 307.353 3.572 20 0 DHADRM C/C(=C/C(=O)OC1CC(CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001588953355 984694484 /nfs/dbraw/zinc/69/44/84/984694484.db2.gz OZIVTCOVXFSILG-YHYXMXQVSA-N -1 0 308.761 3.540 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001588956065 984701540 /nfs/dbraw/zinc/70/15/40/984701540.db2.gz FUAUBWBVFANHES-SDNWHVSQSA-N -1 0 316.397 3.992 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588956544 984705823 /nfs/dbraw/zinc/70/58/23/984705823.db2.gz SHCHUUNYJLRRIA-BPBBZMJPSA-N -1 0 307.434 3.519 20 0 DHADRM C/C(=C\CN(Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958605 984713775 /nfs/dbraw/zinc/71/37/75/984713775.db2.gz NMDYFXASYBPBPW-JXMROGBWSA-N -1 0 314.212 3.989 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCCCCC1 ZINC001599894876 984740584 /nfs/dbraw/zinc/74/05/84/984740584.db2.gz IRDMCULSOZJHFK-JTQLQIEISA-N -1 0 310.419 3.927 20 0 DHADRM O=C(Nc1cncc(Cl)c1Cl)c1cccc(Cl)c1[O-] ZINC001266771966 1015066085 /nfs/dbraw/zinc/06/60/85/1015066085.db2.gz XXVFOWXRWMWJPJ-UHFFFAOYSA-N -1 0 317.559 4.000 20 0 DHADRM C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cc2ccccc2o1 ZINC001599900843 984821503 /nfs/dbraw/zinc/82/15/03/984821503.db2.gz LQPGDIHYYNHCMP-LBPRGKRZSA-N -1 0 323.348 3.551 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cc2ccccc2o1 ZINC001599900996 984824257 /nfs/dbraw/zinc/82/42/57/984824257.db2.gz GECUVRIWPOGBNB-ZUZCIYMTSA-N -1 0 301.367 3.971 20 0 DHADRM C[C@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1c(F)cccc1F ZINC001599903989 984898232 /nfs/dbraw/zinc/89/82/32/984898232.db2.gz WFOAHZUYTGULNS-CYNONHLPSA-N -1 0 322.263 3.574 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588995906 984929985 /nfs/dbraw/zinc/92/99/85/984929985.db2.gz WGMVWVFLBPBCLL-QINSGFPZSA-N -1 0 315.413 3.692 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588995905 984930422 /nfs/dbraw/zinc/93/04/22/984930422.db2.gz WGMVWVFLBPBCLL-NTCAYCPXSA-N -1 0 315.413 3.692 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001588999008 984936600 /nfs/dbraw/zinc/93/66/00/984936600.db2.gz PXEVIVZHYOYKAU-ZRDIBKRKSA-N -1 0 313.328 3.874 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001589023257 985022490 /nfs/dbraw/zinc/02/24/90/985022490.db2.gz NKPPOVIQDHMUEQ-STQMWFEESA-N -1 0 319.401 3.599 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(C)c1 ZINC000656739021 1015110200 /nfs/dbraw/zinc/11/02/00/1015110200.db2.gz QXSODWRQXPHXEO-UHFFFAOYSA-N -1 0 316.426 3.685 20 0 DHADRM CCO[C@@H]1C[C@H](Nc2ccc(SC)c(C(=O)[O-])c2)C12CCC2 ZINC001596842326 985530948 /nfs/dbraw/zinc/53/09/48/985530948.db2.gz JYQJPTUPFCEDKI-LSDHHAIUSA-N -1 0 321.442 3.866 20 0 DHADRM Cc1[nH]c(C(=O)CSCCc2cccs2)c(C)c1C(=O)[O-] ZINC001599949620 985586361 /nfs/dbraw/zinc/58/63/61/985586361.db2.gz LKULAYAMRAUHIP-UHFFFAOYSA-N -1 0 323.439 3.550 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC001594494289 985624524 /nfs/dbraw/zinc/62/45/24/985624524.db2.gz OGVAHCGUXHHFSD-KUHUBIRLSA-N -1 0 323.392 3.537 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC001599957520 985714225 /nfs/dbraw/zinc/71/42/25/985714225.db2.gz VWGXNQHAPVWKSE-YPMLDQLKSA-N -1 0 320.433 3.522 20 0 DHADRM Cc1[nH]c2ccc(-c3nc(-c4cc(C(=O)[O-])co4)no3)cc2c1C ZINC001599964956 985885766 /nfs/dbraw/zinc/88/57/66/985885766.db2.gz DUZVACIMVRILNK-UHFFFAOYSA-N -1 0 323.308 3.793 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599966732 985920847 /nfs/dbraw/zinc/92/08/47/985920847.db2.gz XJHIJGJINBUBJW-NSHDSACASA-N -1 0 322.364 3.917 20 0 DHADRM CC(=O)c1cc(Cl)c(Cl)cc1OCCCCC(=O)[O-] ZINC001589267584 985946003 /nfs/dbraw/zinc/94/60/03/985946003.db2.gz FDGPUOWXMKLHNL-UHFFFAOYSA-N -1 0 305.157 3.830 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])o1 ZINC001589277738 985997689 /nfs/dbraw/zinc/99/76/89/985997689.db2.gz YWCFRAPGTPOHOM-UHFFFAOYSA-N -1 0 315.325 3.556 20 0 DHADRM CC(=O)c1csc(C(=O)O[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001589323165 986142748 /nfs/dbraw/zinc/14/27/48/986142748.db2.gz ZSJXQIUGFDCTIF-ZDUSSCGKSA-N -1 0 324.398 3.531 20 0 DHADRM Cc1cc(-c2cc(C(=O)[O-])cs2)ccc1O[C@H]1CCOC1 ZINC000581677573 1015206346 /nfs/dbraw/zinc/20/63/46/1015206346.db2.gz GKMPLBHPAHHGOD-ZDUSSCGKSA-N -1 0 304.367 3.589 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1CCC(C)(C)CC1 ZINC001597009668 986345037 /nfs/dbraw/zinc/34/50/37/986345037.db2.gz OSVUDSIHBYMTCY-UHFFFAOYSA-N -1 0 319.401 3.938 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(C)(C)C ZINC001589365729 986394067 /nfs/dbraw/zinc/39/40/67/986394067.db2.gz YNSATLOFLNNTAW-QWHCGFSZSA-N -1 0 317.429 3.588 20 0 DHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1cccs1 ZINC001589401417 986571860 /nfs/dbraw/zinc/57/18/60/986571860.db2.gz SLWSUUQKVQYPJT-TZMCWYRMSA-N -1 0 323.458 3.639 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594614971 986629966 /nfs/dbraw/zinc/62/99/66/986629966.db2.gz KHSFFRHYUYLBHG-GRYCIOLGSA-N -1 0 321.804 3.509 20 0 DHADRM C[C@H]1Cc2cccc(F)c2N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594620334 986657097 /nfs/dbraw/zinc/65/70/97/986657097.db2.gz NWXFEMXRMZCHOS-NSHDSACASA-N -1 0 317.335 3.862 20 0 DHADRM C[C@H]1Cc2ncn(Cc3ccc(C(=O)[O-])c(Cl)c3)c2C[C@@H]1C ZINC001594625215 986690373 /nfs/dbraw/zinc/69/03/73/986690373.db2.gz GRJYESQYGDXNDI-QWRGUYRKSA-N -1 0 318.804 3.654 20 0 DHADRM C[C@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccncc1 ZINC001589428049 986696051 /nfs/dbraw/zinc/69/60/51/986696051.db2.gz ASFAXIBLBFJRQX-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM CC(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)=C1CCCC1 ZINC001589429703 986711331 /nfs/dbraw/zinc/71/13/31/986711331.db2.gz PCMJEVIATFISDB-UHFFFAOYSA-N -1 0 309.749 3.573 20 0 DHADRM C[C@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)n1cccc1 ZINC001589430900 986722566 /nfs/dbraw/zinc/72/25/66/986722566.db2.gz XZDYMGKGFZUBKT-GFCCVEGCSA-N -1 0 308.337 3.539 20 0 DHADRM CCOc1ccc(CSCc2ccccc2C(=O)[O-])nc1 ZINC001597104948 986731460 /nfs/dbraw/zinc/73/14/60/986731460.db2.gz CFKPIHCZAJZUFD-UHFFFAOYSA-N -1 0 303.383 3.612 20 0 DHADRM C[C@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589436258 986750695 /nfs/dbraw/zinc/75/06/95/986750695.db2.gz ROGOXENJHBDNQY-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccccc1F ZINC001589440038 986781368 /nfs/dbraw/zinc/78/13/68/986781368.db2.gz PZXGFEQLUXGUBF-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597139610 986879696 /nfs/dbraw/zinc/87/96/96/986879696.db2.gz BXGFGWOYTDKOGW-LLVKDONJSA-N -1 0 318.325 3.603 20 0 DHADRM CCOc1ccc2[nH]c(S[C@@H](CC(C)C)C(=O)[O-])nc2c1 ZINC001597145953 986908248 /nfs/dbraw/zinc/90/82/48/986908248.db2.gz PRPJNHPHXZGCQS-ZDUSSCGKSA-N -1 0 308.403 3.553 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC001589467870 986926269 /nfs/dbraw/zinc/92/62/69/986926269.db2.gz AEVQJYUVGACZFB-CABZTGNLSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@@H]1Sc2ccccc2N(Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC001594665742 986960937 /nfs/dbraw/zinc/96/09/37/986960937.db2.gz KXDKLYMXRVATGY-RYUDHWBXSA-N -1 0 314.410 3.669 20 0 DHADRM C[C@@H]1c2sccc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594673669 986993636 /nfs/dbraw/zinc/99/36/36/986993636.db2.gz IYEUEOYPBLBDPX-SNVBAGLBSA-N -1 0 305.374 3.705 20 0 DHADRM C[C@H]1c2sccc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594674461 986997095 /nfs/dbraw/zinc/99/70/95/986997095.db2.gz QVBXNJNSOMYMFP-QMMMGPOBSA-N -1 0 322.411 3.659 20 0 DHADRM C/C=C(\CC)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594676651 987007936 /nfs/dbraw/zinc/00/79/36/987007936.db2.gz RFQNCHXYENSMKN-KBNZMGLGSA-N -1 0 316.275 3.888 20 0 DHADRM CCOc1nc(SCc2ccccc2C(=O)[O-])ncc1Cl ZINC001597193670 987080422 /nfs/dbraw/zinc/08/04/22/987080422.db2.gz LGXSKVMJXRJQTB-UHFFFAOYSA-N -1 0 324.789 3.519 20 0 DHADRM CC/C(=C\C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001594690811 987083753 /nfs/dbraw/zinc/08/37/53/987083753.db2.gz CJOVFUANEYWDIF-AYJWMTRPSA-N -1 0 321.804 3.599 20 0 DHADRM CC/C(=C/C(=O)N(CC(=O)[O-])[C@H](C)CC)c1ccc(C)cc1 ZINC001594691604 987091933 /nfs/dbraw/zinc/09/19/33/987091933.db2.gz MBPQUYBSTSCCLX-ADVGAGMGSA-N -1 0 303.402 3.500 20 0 DHADRM CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc(C)cc1 ZINC001594691668 987092912 /nfs/dbraw/zinc/09/29/12/987092912.db2.gz WVVYKPJBJPSCHL-UKYUDJEDSA-N -1 0 317.429 3.794 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C\C=C(Cl)Cl)cc1 ZINC001589502345 987104645 /nfs/dbraw/zinc/10/46/45/987104645.db2.gz FMEXNDFDFRHVSJ-FIFYQCSRSA-N -1 0 314.168 3.688 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCC(F)(F)F)cc1 ZINC001589504446 987113589 /nfs/dbraw/zinc/11/35/89/987113589.db2.gz LIWNNXXTXPFZBI-VIFPVBQESA-N -1 0 303.280 3.546 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC001589511308 987139121 /nfs/dbraw/zinc/13/91/21/987139121.db2.gz ADALFBXTOXMCDF-SJKOYZFVSA-N -1 0 324.380 3.684 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCCC2CCC2)cc1 ZINC001589511822 987143550 /nfs/dbraw/zinc/14/35/50/987143550.db2.gz DLPPKCGPZLCTIE-GFCCVEGCSA-N -1 0 304.390 3.577 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C)C(C)(C)C2(C)C)c1 ZINC001589522466 987178008 /nfs/dbraw/zinc/17/80/08/987178008.db2.gz KWFSXQNQMPYWDQ-LLVKDONJSA-N -1 0 303.402 3.886 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC2CCC3(CSC3)CC2)c1 ZINC001589531286 987201383 /nfs/dbraw/zinc/20/13/83/987201383.db2.gz CUPRMNYMICOLMA-LBPRGKRZSA-N -1 0 305.443 3.962 20 0 DHADRM O=C([O-])C1(c2cncc(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000581737692 1015286089 /nfs/dbraw/zinc/28/60/89/1015286089.db2.gz OMKZXTIPPGMDMB-UHFFFAOYSA-N -1 0 307.271 3.884 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@H](O)c2ccccc2Cl)c1 ZINC001589532037 987210058 /nfs/dbraw/zinc/21/00/58/987210058.db2.gz NJHXFXUNNAPRQP-BZNIZROVSA-N -1 0 319.788 3.674 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2c(F)cccc2F)c1 ZINC001589532091 987210596 /nfs/dbraw/zinc/21/05/96/987210596.db2.gz AURHQPLTLCMSDX-SECBINFHSA-N -1 0 320.295 3.797 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(Nc2ncnc3c(F)cccc23)c1 ZINC001589539893 987238442 /nfs/dbraw/zinc/23/84/42/987238442.db2.gz MSVKKHFZRGHDRE-SNVBAGLBSA-N -1 0 311.316 3.701 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)cc1 ZINC001589540844 987248469 /nfs/dbraw/zinc/24/84/69/987248469.db2.gz SGTDLNKGXJWFJU-ZANVPECISA-N -1 0 324.785 3.874 20 0 DHADRM C[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001589542375 987253295 /nfs/dbraw/zinc/25/32/95/987253295.db2.gz AIRQCJUEJOPULP-IAQYHMDHSA-N -1 0 304.386 3.988 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594734925 987264996 /nfs/dbraw/zinc/26/49/96/987264996.db2.gz FDZKMYPVGFMWSH-LBPRGKRZSA-N -1 0 319.382 3.587 20 0 DHADRM C[C@H](C(=O)OCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001589546335 987267688 /nfs/dbraw/zinc/26/76/88/987267688.db2.gz HBOZHYRSOFEYGT-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](C(=O)OCc1c(F)cc(C(=O)[O-])cc1F)C1CCCC1 ZINC001589548749 987279864 /nfs/dbraw/zinc/27/98/64/987279864.db2.gz NGDRQYZZLOZLOW-SECBINFHSA-N -1 0 312.312 3.533 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 ZINC001594739960 987284319 /nfs/dbraw/zinc/28/43/19/987284319.db2.gz FAAXCHBPHHPLGM-INIZCTEOSA-N -1 0 315.369 3.540 20 0 DHADRM C[C@H]([C@H](C)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)C(C)(C)C ZINC001589553183 987288955 /nfs/dbraw/zinc/28/89/55/987288955.db2.gz LCYZPWOZLRLXJK-NWDGAFQWSA-N -1 0 321.417 3.675 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccsc1 ZINC001589553271 987290126 /nfs/dbraw/zinc/29/01/26/987290126.db2.gz MWESPXBBBHYVPU-LLVKDONJSA-N -1 0 318.394 3.819 20 0 DHADRM CCSCSc1ccc(Br)cc1C(=O)[O-] ZINC001597264397 987291340 /nfs/dbraw/zinc/29/13/40/987291340.db2.gz UKTNRYYPFLTMLK-UHFFFAOYSA-N -1 0 307.234 3.950 20 0 DHADRM CCSCc1ccc(NCc2ccc(C(=O)[O-])cn2)cc1 ZINC001597264879 987291958 /nfs/dbraw/zinc/29/19/58/987291958.db2.gz BOJQTCIIWILBDC-UHFFFAOYSA-N -1 0 302.399 3.645 20 0 DHADRM CCSc1cccc(-c2noc(-c3cc(C(=O)[O-])co3)n2)c1 ZINC001597273137 987325904 /nfs/dbraw/zinc/32/59/04/987325904.db2.gz QYSZGZTXLJIFAH-UHFFFAOYSA-N -1 0 316.338 3.807 20 0 DHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)C1CCCC1 ZINC001589567754 987334572 /nfs/dbraw/zinc/33/45/72/987334572.db2.gz UUCXZQUXATYTJQ-OAHLLOKOSA-N -1 0 309.450 3.600 20 0 DHADRM CCSc1cccnc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001597280225 987351629 /nfs/dbraw/zinc/35/16/29/987351629.db2.gz VCLREXGDGPMJSL-UHFFFAOYSA-N -1 0 322.411 3.514 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001597288833 987374433 /nfs/dbraw/zinc/37/44/33/987374433.db2.gz UIFHAVCAONDTSL-OAHLLOKOSA-N -1 0 316.332 3.797 20 0 DHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)c(C)c1 ZINC001597293369 987389364 /nfs/dbraw/zinc/38/93/64/987389364.db2.gz GLGUEWOEBZHALR-CYBMUJFWSA-N -1 0 306.289 3.733 20 0 DHADRM CCc1[nH]c(C(=O)NCC[C@@H](C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001597368174 987547371 /nfs/dbraw/zinc/54/73/71/987547371.db2.gz MOUAHGVHBNMFIP-LLVKDONJSA-N -1 0 322.449 3.776 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccccc2SC)c(C)c1C(=O)[O-] ZINC001597373864 987559419 /nfs/dbraw/zinc/55/94/19/987559419.db2.gz BOPOMRMZBLKKGT-UHFFFAOYSA-N -1 0 318.398 3.558 20 0 DHADRM CCc1[nH]c(CN2CC(C)(C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383482 987583999 /nfs/dbraw/zinc/58/39/99/987583999.db2.gz FFXIBZVKCYDHFD-QGZVFWFLSA-N -1 0 312.413 3.858 20 0 DHADRM CCc1[nH]ccc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001597398534 987651898 /nfs/dbraw/zinc/65/18/98/987651898.db2.gz MISIMSYGPAMVBN-AWEZNQCLSA-N -1 0 320.433 3.511 20 0 DHADRM CC(C)(C(=O)[O-])n1ccc(N[C@H]2CCCCc3ccccc32)n1 ZINC001589680456 987702880 /nfs/dbraw/zinc/70/28/80/987702880.db2.gz AOVCWUVGYMEWSR-HNNXBMFYSA-N -1 0 313.401 3.582 20 0 DHADRM CCc1c(NCc2cc(C(=O)[O-])c(C)[nH]2)cnn1C(CC)CC ZINC001597419560 987724381 /nfs/dbraw/zinc/72/43/81/987724381.db2.gz DESOXZXOESOUIW-UHFFFAOYSA-N -1 0 318.421 3.753 20 0 DHADRM CCc1c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cnn1CCC(C)C ZINC001597420041 987730518 /nfs/dbraw/zinc/73/05/18/987730518.db2.gz UEASCBBBSZYWHA-QLFBSQMISA-N -1 0 321.465 3.793 20 0 DHADRM CCc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)oc1CC ZINC001597434182 987778580 /nfs/dbraw/zinc/77/85/80/987778580.db2.gz VOZNPYOQFGEGGS-UHFFFAOYSA-N -1 0 323.295 3.633 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccco2)s1 ZINC001597440163 987797246 /nfs/dbraw/zinc/79/72/46/987797246.db2.gz AGCXBXPSJJRXBW-SECBINFHSA-N -1 0 307.371 3.734 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)s1 ZINC001597440520 987799315 /nfs/dbraw/zinc/79/93/15/987799315.db2.gz FLGCYZJZPXIQTC-QFOLPQNPSA-N -1 0 307.415 3.629 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC001597452783 987851733 /nfs/dbraw/zinc/85/17/33/987851733.db2.gz XQFPMSUAZKYFOM-MLGOLLRUSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC001597456765 987865501 /nfs/dbraw/zinc/86/55/01/987865501.db2.gz CCORUBUQIZORBW-WFASDCNBSA-N -1 0 318.417 3.895 20 0 DHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC001589718495 987875830 /nfs/dbraw/zinc/87/58/30/987875830.db2.gz NUYVABSSGWBPMN-CQSZACIVSA-N -1 0 319.332 3.634 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC001597457661 987876641 /nfs/dbraw/zinc/87/66/41/987876641.db2.gz NGTBGZQWRWKXFZ-RYUDHWBXSA-N -1 0 318.417 3.893 20 0 DHADRM CC(C)(C)[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(F)cc1 ZINC001589720971 987884971 /nfs/dbraw/zinc/88/49/71/987884971.db2.gz VDSQCPCHAXKTLM-CQSZACIVSA-N -1 0 303.337 3.513 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2cc[nH]c21 ZINC001597463393 987891664 /nfs/dbraw/zinc/89/16/64/987891664.db2.gz CCQAWNROYZQXTP-UHFFFAOYSA-N -1 0 308.337 3.681 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2cnccc2c1 ZINC001597463924 987894886 /nfs/dbraw/zinc/89/48/86/987894886.db2.gz HJJCBZXTSQHXJK-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCC2 ZINC001597465380 987903176 /nfs/dbraw/zinc/90/31/76/987903176.db2.gz VIJPJLRIOMRNLN-UHFFFAOYSA-N -1 0 315.394 3.750 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC001589726962 987916857 /nfs/dbraw/zinc/91/68/57/987916857.db2.gz UFCXXSCEGGRPQS-SDMFIRNDSA-N -1 0 319.445 3.519 20 0 DHADRM O=C(NCc1ccc(F)c(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000053158935 1015345678 /nfs/dbraw/zinc/34/56/78/1015345678.db2.gz PQVJVZXHKNZWFV-UHFFFAOYSA-N -1 0 314.143 3.768 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001589728462 987933085 /nfs/dbraw/zinc/93/30/85/987933085.db2.gz LYHBTJKKSGHISR-UONOGXRCSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589728849 987936959 /nfs/dbraw/zinc/93/69/59/987936959.db2.gz PKXKWYDIYMXYMG-SFRZCGLPSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001589729061 987939583 /nfs/dbraw/zinc/93/95/83/987939583.db2.gz ROSKDHILSXSJAO-PIOWNMBXSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589729179 987940901 /nfs/dbraw/zinc/94/09/01/987940901.db2.gz VMPRXPXUEHRDGQ-HIFRSBDPSA-N -1 0 321.392 3.859 20 0 DHADRM CS[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790037 987991748 /nfs/dbraw/zinc/99/17/48/987991748.db2.gz BHMPNWUTALEDTB-NWDGAFQWSA-N -1 0 320.241 3.556 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001589741642 988014829 /nfs/dbraw/zinc/01/48/29/988014829.db2.gz AYXSPHWTXHDSOG-AWEZNQCLSA-N -1 0 311.466 3.989 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-] ZINC001589743488 988028245 /nfs/dbraw/zinc/02/82/45/988028245.db2.gz PEWICTOIPNSLAS-AWEZNQCLSA-N -1 0 311.466 3.989 20 0 DHADRM CCc1ccc(-c2nc(S[C@@H](CC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC001597492644 988030534 /nfs/dbraw/zinc/03/05/34/988030534.db2.gz XORRBQYFRGQALS-ZDUSSCGKSA-N -1 0 319.430 3.626 20 0 DHADRM CCc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1CC ZINC001597499066 988050749 /nfs/dbraw/zinc/05/07/49/988050749.db2.gz XUGCGGFMOVSGFD-UHFFFAOYSA-N -1 0 311.381 3.543 20 0 DHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000581830018 1015357178 /nfs/dbraw/zinc/35/71/78/1015357178.db2.gz VMQASCJNMRAPAP-HZMBPMFUSA-N -1 0 320.389 3.564 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1CC ZINC001597502529 988068103 /nfs/dbraw/zinc/06/81/03/988068103.db2.gz DIZAKDFXCRRKPG-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM CC(C)(C)C[C@H](Nc1nccc(C(=O)[O-])n1)c1ccc(F)cc1 ZINC001589757223 988072200 /nfs/dbraw/zinc/07/22/00/988072200.db2.gz OYMRUWSLQRIZGN-AWEZNQCLSA-N -1 0 317.364 3.903 20 0 DHADRM CCc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)s1 ZINC001597503776 988073728 /nfs/dbraw/zinc/07/37/28/988073728.db2.gz YANORKXJTRDGJG-UHFFFAOYSA-N -1 0 314.366 3.742 20 0 DHADRM CC(C)(C)C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001589761724 988090261 /nfs/dbraw/zinc/09/02/61/988090261.db2.gz HYHJFNIREPEZDN-ZDUSSCGKSA-N -1 0 322.405 3.993 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001597512143 988097075 /nfs/dbraw/zinc/09/70/75/988097075.db2.gz PSCYAPDLBRFGRP-NSHDSACASA-N -1 0 315.344 3.829 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001597512422 988098281 /nfs/dbraw/zinc/09/82/81/988098281.db2.gz YXQZBMQPBWNSAH-CQSZACIVSA-N -1 0 317.429 3.646 20 0 DHADRM CC(C)(C)CCC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001589764266 988099220 /nfs/dbraw/zinc/09/92/20/988099220.db2.gz CVSRHZXJVBEPJV-UHFFFAOYSA-N -1 0 305.418 3.705 20 0 DHADRM CCc1ccccc1OCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444264 1015362964 /nfs/dbraw/zinc/36/29/64/1015362964.db2.gz GYQHTYQSCOZIBT-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CSCCCCCCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599797537 988121458 /nfs/dbraw/zinc/12/14/58/988121458.db2.gz OQNFEMBSUSELJA-UHFFFAOYSA-N -1 0 309.431 3.945 20 0 DHADRM CC(C)(C)CCCCNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001589771721 988124246 /nfs/dbraw/zinc/12/42/46/988124246.db2.gz DGWHWJWPEAPJFM-KXBFYZLASA-N -1 0 317.429 3.578 20 0 DHADRM COc1cccc([C@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474441227 1015364064 /nfs/dbraw/zinc/36/40/64/1015364064.db2.gz YZQXTILXOGYHDH-VIFPVBQESA-N -1 0 323.751 3.936 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589780139 988148255 /nfs/dbraw/zinc/14/82/55/988148255.db2.gz NCACDYFFVNLZIJ-UHFFFAOYSA-N -1 0 321.421 3.706 20 0 DHADRM CCc1ccc(CC)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001597521483 988155832 /nfs/dbraw/zinc/15/58/32/988155832.db2.gz OOLBPZIXTQSRIT-CSKARUKUSA-N -1 0 313.353 3.755 20 0 DHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597530281 988182695 /nfs/dbraw/zinc/18/26/95/988182695.db2.gz UPQXBYHQJWGMOJ-CQSZACIVSA-N -1 0 309.818 3.879 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001597530528 988185279 /nfs/dbraw/zinc/18/52/79/988185279.db2.gz FSIFHAXCIAJXMY-LLVKDONJSA-N -1 0 315.344 3.829 20 0 DHADRM CSCc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC001599802380 988197691 /nfs/dbraw/zinc/19/76/91/988197691.db2.gz HKVYFCDWRQFDME-UHFFFAOYSA-N -1 0 301.367 3.500 20 0 DHADRM CSCc1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599802824 988205714 /nfs/dbraw/zinc/20/57/14/988205714.db2.gz VMNNXYBKVIKZMX-JTQLQIEISA-N -1 0 320.366 3.759 20 0 DHADRM CSCc1cccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001599803064 988209123 /nfs/dbraw/zinc/20/91/23/988209123.db2.gz HSDKHFJTHDPSKL-NSHDSACASA-N -1 0 302.399 3.816 20 0 DHADRM CCc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC001597542436 988231110 /nfs/dbraw/zinc/23/11/10/988231110.db2.gz BUJLWLZPLAKOGB-UHFFFAOYSA-N -1 0 311.381 3.827 20 0 DHADRM CCc1ccc(NC(=O)c2ccn(C(C)C)c2C)c(C(=O)[O-])c1 ZINC001597550476 988267548 /nfs/dbraw/zinc/26/75/48/988267548.db2.gz DFXVPTVTIYASSL-UHFFFAOYSA-N -1 0 314.385 3.890 20 0 DHADRM CSc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1C ZINC001599809110 988303137 /nfs/dbraw/zinc/30/31/37/988303137.db2.gz SGVNRMVSGVAREY-SOFGYWHQSA-N -1 0 317.366 3.660 20 0 DHADRM CSc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599809138 988303591 /nfs/dbraw/zinc/30/35/91/988303591.db2.gz UPNKXAWXWSLTFI-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CSc1cc(N[C@H](C)c2nc(C(=O)[O-])co2)ccc1Cl ZINC001599810003 988317519 /nfs/dbraw/zinc/31/75/19/988317519.db2.gz ZMPUCCLQWZJZND-SSDOTTSWSA-N -1 0 312.778 3.921 20 0 DHADRM Cc1c(F)cccc1-c1ccc(CNc2nnc(C(F)F)o2)o1 ZINC000346075019 1015378627 /nfs/dbraw/zinc/37/86/27/1015378627.db2.gz PFTSLXFRDPFUBU-UHFFFAOYSA-N -1 0 323.274 4.327 20 0 DHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597569817 988339386 /nfs/dbraw/zinc/33/93/86/988339386.db2.gz YHORNYRQAJGFJP-UHFFFAOYSA-N -1 0 310.353 3.542 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)ccc1F ZINC001597573701 988358078 /nfs/dbraw/zinc/35/80/78/988358078.db2.gz UKRNBBWPXAUMDS-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001597576925 988369167 /nfs/dbraw/zinc/36/91/67/988369167.db2.gz WAVFUJPIYCPLSH-CYBMUJFWSA-N -1 0 301.386 3.856 20 0 DHADRM CCc1cccc(F)c1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001597592480 988420038 /nfs/dbraw/zinc/42/00/38/988420038.db2.gz GQVOIYOZMHCEHK-UHFFFAOYSA-N -1 0 305.349 3.620 20 0 DHADRM CCc1cccc(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001597592881 988422210 /nfs/dbraw/zinc/42/22/10/988422210.db2.gz LZXOTCWBJWPQST-UHFFFAOYSA-N -1 0 316.332 3.755 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(OC)c1C ZINC001597594864 988435339 /nfs/dbraw/zinc/43/53/39/988435339.db2.gz YIXWERCMPLLFIX-UHFFFAOYSA-N -1 0 313.353 3.517 20 0 DHADRM CCc1cccc(NC(=S)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001597595493 988441573 /nfs/dbraw/zinc/44/15/73/988441573.db2.gz SMWXRWRXQISYFP-UHFFFAOYSA-N -1 0 318.373 3.895 20 0 DHADRM CSc1ccc(NC(=O)N[C@@]2(C)CC=CCC2)cc1C(=O)[O-] ZINC001599817514 988451995 /nfs/dbraw/zinc/45/19/95/988451995.db2.gz HXVORKRHFZQSOY-INIZCTEOSA-N -1 0 320.414 3.727 20 0 DHADRM CSc1ccc(NC(=O)NC(C)(C)C(C)C)cc1C(=O)[O-] ZINC001599818163 988464125 /nfs/dbraw/zinc/46/41/25/988464125.db2.gz PDUUDVHMBNRKJN-UHFFFAOYSA-N -1 0 310.419 3.663 20 0 DHADRM CSc1ccc(NC(=O)NCC2(C)CCCC2)cc1C(=O)[O-] ZINC001599818232 988465342 /nfs/dbraw/zinc/46/53/42/988465342.db2.gz CJPXFHFXLOQEAP-UHFFFAOYSA-N -1 0 322.430 3.809 20 0 DHADRM CSc1ccc(NC(=O)NC[C@H]2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599818518 988470222 /nfs/dbraw/zinc/47/02/22/988470222.db2.gz INXZIPGKKYVTRH-MNOVXSKESA-N -1 0 322.430 3.664 20 0 DHADRM CSc1ccc(NC(=O)NC2(CC(C)C)CC2)cc1C(=O)[O-] ZINC001599818703 988474565 /nfs/dbraw/zinc/47/45/65/988474565.db2.gz YOAOFBDEGLRALF-UHFFFAOYSA-N -1 0 322.430 3.807 20 0 DHADRM CCc1ccccc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001597609102 988491126 /nfs/dbraw/zinc/49/11/26/988491126.db2.gz JUMMYMYCDPIGFK-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1ccccc1COc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001597609931 988502359 /nfs/dbraw/zinc/50/23/59/988502359.db2.gz YBVYNZXWEHDALQ-PKNBQFBNSA-N -1 0 312.365 3.934 20 0 DHADRM CSc1ccc(N[C@H]2CCc3cccnc32)cc1C(=O)[O-] ZINC001599821000 988513182 /nfs/dbraw/zinc/51/31/82/988513182.db2.gz SUTRXILCPJRHCH-ZDUSSCGKSA-N -1 0 300.383 3.601 20 0 DHADRM CSc1ccc(NCc2nc3c(o2)CCCC3)cc1C(=O)[O-] ZINC001599821029 988513311 /nfs/dbraw/zinc/51/33/11/988513311.db2.gz VQZYUFXFDUAAGK-UHFFFAOYSA-N -1 0 318.398 3.586 20 0 DHADRM CSc1ccccc1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599823205 988550598 /nfs/dbraw/zinc/55/05/98/988550598.db2.gz FFKXKTXUOSAIHX-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000013170034 1015399366 /nfs/dbraw/zinc/39/93/66/1015399366.db2.gz ZGCMOSXMJRXNDH-GFCCVEGCSA-N -1 0 315.394 3.813 20 0 DHADRM CSc1ccccc1CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001599824057 988566228 /nfs/dbraw/zinc/56/62/28/988566228.db2.gz PKXNMYMLBPXCLU-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])c1ccccc1 ZINC001599830823 988671332 /nfs/dbraw/zinc/67/13/32/988671332.db2.gz HLZROMNJPQFQCT-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)CC(c1ccccc1)c1ccccc1 ZINC001599833002 988701598 /nfs/dbraw/zinc/70/15/98/988701598.db2.gz CBUTVHSXCJNOGA-AWEZNQCLSA-N -1 0 312.365 3.615 20 0 DHADRM CCc1nc(C)c(C(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC001597657908 988720890 /nfs/dbraw/zinc/72/08/90/988720890.db2.gz PWLJBGSJBPBDHF-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCc1nc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)sc1C(=O)[O-] ZINC001597676293 988789842 /nfs/dbraw/zinc/78/98/42/988789842.db2.gz SETQUGVSRZJSOC-GXSJLCMTSA-N -1 0 322.430 3.581 20 0 DHADRM CCc1nc(NC(=O)C[C@@H](CC)C(C)(C)C)sc1C(=O)[O-] ZINC001597678385 988797598 /nfs/dbraw/zinc/79/75/98/988797598.db2.gz ONZMRYVLALHTLR-SECBINFHSA-N -1 0 312.435 3.805 20 0 DHADRM C[C@@H](NCc1cc(C(=O)[O-])no1)c1cc(Cl)ccc1Cl ZINC001599841604 988846074 /nfs/dbraw/zinc/84/60/74/988846074.db2.gz VOMQAYLGPGYHLD-SSDOTTSWSA-N -1 0 315.156 3.530 20 0 DHADRM CCc1nc2ccccc2c(S[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001597689506 988860231 /nfs/dbraw/zinc/86/02/31/988860231.db2.gz LMBLFSKQGDGPAS-ZDUSSCGKSA-N -1 0 304.415 3.784 20 0 DHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC001599842426 988866830 /nfs/dbraw/zinc/86/68/30/988866830.db2.gz MPEDIVRZQXCBQY-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@@H]1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@H](C)C1 ZINC001599848500 988973829 /nfs/dbraw/zinc/97/38/29/988973829.db2.gz ORAWNYFUGJZPIJ-GHMZBOCLSA-N -1 0 315.373 3.518 20 0 DHADRM CCc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC001597736479 989088621 /nfs/dbraw/zinc/08/86/21/989088621.db2.gz ZEQHAWWMNTYZPB-JTQLQIEISA-N -1 0 314.819 3.672 20 0 DHADRM CCc1noc(C)c1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001597746131 989116027 /nfs/dbraw/zinc/11/60/27/989116027.db2.gz PFCMQSHFOJQUHC-UHFFFAOYSA-N -1 0 323.736 3.541 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSC[C@H]1CC1(Cl)Cl ZINC001597772190 989234728 /nfs/dbraw/zinc/23/47/28/989234728.db2.gz NGPPMMVVSVOSNK-MRVPVSSYSA-N -1 0 309.214 3.967 20 0 DHADRM CCc1oc(CNc2cc(OC)c(C)cc2C)cc1C(=O)[O-] ZINC001597804921 989409849 /nfs/dbraw/zinc/40/98/49/989409849.db2.gz OUVUTILGBHOLPN-UHFFFAOYSA-N -1 0 303.358 3.778 20 0 DHADRM CCc1onc(C)c1NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001597816218 989446417 /nfs/dbraw/zinc/44/64/17/989446417.db2.gz RCMWPYVIZPIAKQ-UHFFFAOYSA-N -1 0 317.345 3.504 20 0 DHADRM CC(C)(Cc1nc(-c2ccc(O)cc2F)no1)CC(F)F ZINC000896217175 1015509430 /nfs/dbraw/zinc/50/94/30/1015509430.db2.gz BZKFBTYRMUYZRD-UHFFFAOYSA-N -1 0 300.280 3.805 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001590420067 989962790 /nfs/dbraw/zinc/96/27/90/989962790.db2.gz MGLKPKHNVQVAMV-UHFFFAOYSA-N -1 0 313.353 3.814 20 0 DHADRM CC(C)(C)[C@H](Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC001590451260 990012347 /nfs/dbraw/zinc/01/23/47/990012347.db2.gz HRSUXWHTDBKFFK-MRVPVSSYSA-N -1 0 310.703 3.665 20 0 DHADRM CC(C)(C)c1ccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)cc1 ZINC001590471902 990041809 /nfs/dbraw/zinc/04/18/09/990041809.db2.gz CKCRVJOUTQMRJY-UHFFFAOYSA-N -1 0 323.352 3.794 20 0 DHADRM CC(C)(C)c1ccc(-c2nnc(-c3ccnc(C(=O)[O-])c3)o2)cc1 ZINC001590472194 990043739 /nfs/dbraw/zinc/04/37/39/990043739.db2.gz LLRNLITVHSQXKI-UHFFFAOYSA-N -1 0 323.352 3.794 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC001590492761 990092720 /nfs/dbraw/zinc/09/27/20/990092720.db2.gz AGBCZIKATWYVJV-UHFFFAOYSA-N -1 0 313.353 3.640 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590494142 990099681 /nfs/dbraw/zinc/09/96/81/990099681.db2.gz UTZFSOZMMXCNSL-CHWSQXEVSA-N -1 0 304.386 3.781 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001590499106 990111945 /nfs/dbraw/zinc/11/19/45/990111945.db2.gz QKWHSOUDWQEXAL-INIZCTEOSA-N -1 0 317.429 3.747 20 0 DHADRM CC(C)(C)c1cnc(NC(=O)CC2(CC(=O)[O-])CCCC2)s1 ZINC001590515947 990132623 /nfs/dbraw/zinc/13/26/23/990132623.db2.gz RNOYIYJWECHVRX-UHFFFAOYSA-N -1 0 324.446 3.804 20 0 DHADRM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001590538652 990161034 /nfs/dbraw/zinc/16/10/34/990161034.db2.gz KJMWZKGIGIGZKN-ZDUSSCGKSA-N -1 0 310.463 3.564 20 0 DHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)C1(C(=O)[O-])CCCCC1 ZINC001598008314 990170917 /nfs/dbraw/zinc/17/09/17/990170917.db2.gz VETSFQUWNLDAMA-UHFFFAOYSA-N -1 0 323.355 3.601 20 0 DHADRM CC(C)(CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C1CCCCC1 ZINC001590616755 990293598 /nfs/dbraw/zinc/29/35/98/990293598.db2.gz MLWCAXRECISTLV-BEFAXECRSA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)C1CCCCC1 ZINC001590620874 990298188 /nfs/dbraw/zinc/29/81/88/990298188.db2.gz KCTOLGYCHXODLV-OAHLLOKOSA-N -1 0 323.458 3.987 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC(C)(C)c2ccccc21 ZINC001590626235 990312034 /nfs/dbraw/zinc/31/20/34/990312034.db2.gz ACFRBBGRSYKVOM-UHFFFAOYSA-N -1 0 317.429 3.982 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccccc1F)C1CCC1 ZINC001590626503 990315323 /nfs/dbraw/zinc/31/53/23/990315323.db2.gz WHIZSWIVDNMELR-UHFFFAOYSA-N -1 0 321.392 3.598 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)NC1CCC2(CCCCC2)CC1 ZINC001590628492 990318948 /nfs/dbraw/zinc/31/89/48/990318948.db2.gz CNIIVWHLDNGSEL-UHFFFAOYSA-N -1 0 309.450 3.887 20 0 DHADRM CN(C(=O)c1ccc(C2=CCCC2)cc1)C(C)(C)CC(=O)[O-] ZINC001598083157 990407685 /nfs/dbraw/zinc/40/76/85/990407685.db2.gz QVJDWBDJEROHAH-UHFFFAOYSA-N -1 0 301.386 3.579 20 0 DHADRM CC(C)(CCNc1cccc(N2CCCCCC2)c1)C(=O)[O-] ZINC001590693493 990408697 /nfs/dbraw/zinc/40/86/97/990408697.db2.gz NHUUNADLPOHPHD-UHFFFAOYSA-N -1 0 304.434 3.980 20 0 DHADRM CC(C)(CSc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC001590820654 990656877 /nfs/dbraw/zinc/65/68/77/990656877.db2.gz YHCMHGNBVSUHTI-UHFFFAOYSA-N -1 0 312.778 3.593 20 0 DHADRM CC(C)(NC(=O)CC1(CC(=O)[O-])CCCC1)C1CCCCC1 ZINC001590839841 990702238 /nfs/dbraw/zinc/70/22/38/990702238.db2.gz CKNOYBMKJFACFJ-UHFFFAOYSA-N -1 0 309.450 3.887 20 0 DHADRM CC(C)=C(C)CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001590912973 990893051 /nfs/dbraw/zinc/89/30/51/990893051.db2.gz UAGYVOSEBTZWDU-UHFFFAOYSA-N -1 0 305.374 3.615 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001590914462 990898807 /nfs/dbraw/zinc/89/88/07/990898807.db2.gz IMCFQNNMRCQBBI-SUHUHFCYSA-N -1 0 306.358 3.820 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001590922078 990917016 /nfs/dbraw/zinc/91/70/16/990917016.db2.gz SWVLJCOIBBMVPP-LBPRGKRZSA-N -1 0 322.380 3.709 20 0 DHADRM CC(C)C(C)(C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001590963288 991064225 /nfs/dbraw/zinc/06/42/25/991064225.db2.gz DYKLKQMFWVGIED-UHFFFAOYSA-N -1 0 307.390 3.551 20 0 DHADRM CC(C)[C@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001590996565 991232850 /nfs/dbraw/zinc/23/28/50/991232850.db2.gz OMDUPFVAVLTLII-LBPRGKRZSA-N -1 0 313.394 3.648 20 0 DHADRM CN(C)c1cc(NCc2csc(C(=O)[O-])c2)ccc1Cl ZINC001598308218 991280967 /nfs/dbraw/zinc/28/09/67/991280967.db2.gz ZNXLOYXSMHIARD-UHFFFAOYSA-N -1 0 310.806 3.778 20 0 DHADRM CC(C)C(NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)C ZINC001591014843 991294784 /nfs/dbraw/zinc/29/47/84/991294784.db2.gz SAWSICIKIWRSBF-UHFFFAOYSA-N -1 0 317.389 3.668 20 0 DHADRM COc1ccccc1CCCNc1ccc(F)c(C(=O)[O-])c1F ZINC001599708709 991333331 /nfs/dbraw/zinc/33/33/31/991333331.db2.gz MBXYNACIMKMTGZ-UHFFFAOYSA-N -1 0 321.323 3.716 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591060950 991495258 /nfs/dbraw/zinc/49/52/58/991495258.db2.gz BVWGPOOOOGXOMF-MEDUHNTESA-N -1 0 307.415 3.944 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591060952 991495539 /nfs/dbraw/zinc/49/55/39/991495539.db2.gz BVWGPOOOOGXOMF-ZBEGNZNMSA-N -1 0 307.415 3.944 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591061296 991498318 /nfs/dbraw/zinc/49/83/18/991498318.db2.gz GBSKLRZTVHBDDZ-MDZRGWNJSA-N -1 0 316.397 3.988 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001591062227 991507016 /nfs/dbraw/zinc/50/70/16/991507016.db2.gz UONQUXVTVCCAAZ-UHFFFAOYSA-N -1 0 310.419 3.736 20 0 DHADRM CC(C)[C@@H]1C[C@@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001591080135 991580383 /nfs/dbraw/zinc/58/03/83/991580383.db2.gz OTCPBDUGPODTSX-HOTGVXAUSA-N -1 0 312.365 3.664 20 0 DHADRM CC(C)C1CCC(NC(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001591080720 991585456 /nfs/dbraw/zinc/58/54/56/991585456.db2.gz BWZQROOYHWWWFA-UHFFFAOYSA-N -1 0 324.465 3.536 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001591080759 991586977 /nfs/dbraw/zinc/58/69/77/991586977.db2.gz CUCZZTZWNWCNQK-HUUCEWRRSA-N -1 0 321.461 3.743 20 0 DHADRM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001591081278 991591188 /nfs/dbraw/zinc/59/11/88/991591188.db2.gz YBFCYZADHZOTIV-RYUDHWBXSA-N -1 0 317.410 3.508 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081675 991593560 /nfs/dbraw/zinc/59/35/60/991593560.db2.gz KHXOATHYTKYLLI-DOTOQJQBSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001591088794 991625083 /nfs/dbraw/zinc/62/50/83/991625083.db2.gz LZHYGHRKCIXWIK-STQMWFEESA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCCCC2 ZINC001591100012 991718466 /nfs/dbraw/zinc/71/84/66/991718466.db2.gz TYULLIZHWHXBRM-XHSDSOJGSA-N -1 0 321.461 3.695 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000535655668 1015664009 /nfs/dbraw/zinc/66/40/09/1015664009.db2.gz UTCWUBCRASZYKQ-VIFPVBQESA-N -1 0 309.460 3.699 20 0 DHADRM CC(C)CC(C)(C)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC001591130149 991821687 /nfs/dbraw/zinc/82/16/87/991821687.db2.gz HEXMUNGKYWUOQH-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001591134030 991836498 /nfs/dbraw/zinc/83/64/98/991836498.db2.gz NYGZRHBBVDTGNH-UXLLHSPISA-N -1 0 319.445 3.507 20 0 DHADRM 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JIHPZKZLKPMJOK-KRWDZBQOSA-N -1 0 307.434 3.664 20 0 DHADRM CC1=C(C)C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC001594109854 998198703 /nfs/dbraw/zinc/19/87/03/998198703.db2.gz MSBDCKHSHQFAAW-GOEBONIOSA-N -1 0 319.376 3.594 20 0 DHADRM COc1cccc(COc2ccc(C(=O)[O-])c(OC)c2)c1Cl ZINC001599456869 998202698 /nfs/dbraw/zinc/20/26/98/998202698.db2.gz LKJWOWAQYGVBDD-UHFFFAOYSA-N -1 0 322.744 3.634 20 0 DHADRM COc1cc(OC[C@@H]2CCCCC2(F)F)ccc1C(=O)[O-] ZINC001599456819 998202929 /nfs/dbraw/zinc/20/29/29/998202929.db2.gz JQOZYBIWAXNOSS-JTQLQIEISA-N -1 0 300.301 3.598 20 0 DHADRM CC1=C(C)C[C@H](C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CC1 ZINC001594110588 998210855 /nfs/dbraw/zinc/21/08/55/998210855.db2.gz WLAQJRAMQCKVEZ-LLVKDONJSA-N -1 0 320.414 3.794 20 0 DHADRM CC1=CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001594113402 998224981 /nfs/dbraw/zinc/22/49/81/998224981.db2.gz LYZYDCKPPKPBTN-ZDUSSCGKSA-N -1 0 300.185 3.771 20 0 DHADRM COc1cc(C(=O)[O-])cc(NC2CC3(C2)CCCC3)c1OC ZINC001599362081 998276970 /nfs/dbraw/zinc/27/69/70/998276970.db2.gz MCYAXXMVSOWSAM-UHFFFAOYSA-N -1 0 305.374 3.537 20 0 DHADRM COc1cc(C(=O)[O-])cc(N[C@@H]2CC(C)(C)C[C@@H]2C)c1OC ZINC001599362241 998280028 /nfs/dbraw/zinc/28/00/28/998280028.db2.gz OIRSZILFGXTNGJ-GXFFZTMASA-N -1 0 307.390 3.639 20 0 DHADRM C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC001594136387 998378838 /nfs/dbraw/zinc/37/88/38/998378838.db2.gz OOCHXARKFCHYKY-JQAFLVLXSA-N -1 0 313.328 3.512 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NCc1ccc2c(c1)CCCC2 ZINC001599375242 998474965 /nfs/dbraw/zinc/47/49/65/998474965.db2.gz OSIHSHHEAHFMPC-UHFFFAOYSA-N -1 0 311.381 3.884 20 0 DHADRM COC(=O)c1ccc([C@@H](C)SCc2ccccc2C(=O)[O-])o1 ZINC001598969537 998489532 /nfs/dbraw/zinc/48/95/32/998489532.db2.gz LMEDYGQECFPXEN-SNVBAGLBSA-N -1 0 320.366 3.759 20 0 DHADRM COc1ccc(Cl)cc1N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599579012 998495281 /nfs/dbraw/zinc/49/52/81/998495281.db2.gz KHRYEAARRHDPFN-SECBINFHSA-N -1 0 306.749 3.615 20 0 DHADRM C[C@H]1[C@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)CC[C@H]1CC(=O)[O-] ZINC001594184666 998715121 /nfs/dbraw/zinc/71/51/21/998715121.db2.gz KFXTYTTUSJDAHR-OLUCIUBSSA-N -1 0 317.429 3.748 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OC(F)(F)F)cc1 ZINC001594186527 998721203 /nfs/dbraw/zinc/72/12/03/998721203.db2.gz WMQJMEAKEHGULA-BREBYQMCSA-N -1 0 317.307 3.887 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001594205883 998791924 /nfs/dbraw/zinc/79/19/24/998791924.db2.gz MCCCSEOXADLBAL-OIBBZDHESA-N -1 0 321.461 3.693 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594213856 998824776 /nfs/dbraw/zinc/82/47/76/998824776.db2.gz GTCXVEPJOIUJCH-UONOGXRCSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1CC(C)(C)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594215966 998830762 /nfs/dbraw/zinc/83/07/62/998830762.db2.gz CYAANFIHNCVKET-BYCMXARLSA-N -1 0 316.401 3.527 20 0 DHADRM C[C@H]1C[C@H](C(=O)N2CCCc3ccc(C(=O)[O-])cc32)C[C@@H](C)C1 ZINC001594219322 998841925 /nfs/dbraw/zinc/84/19/25/998841925.db2.gz HDJQIMRQJNENAM-VIKVFOODSA-N -1 0 315.413 3.736 20 0 DHADRM C[C@H]1C[C@H](C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C[C@@H](C)C1 ZINC001594219726 998844033 /nfs/dbraw/zinc/84/40/33/998844033.db2.gz OUUSENFDXBPEBG-KHSSZTOVSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H]1C[C@H](CCNC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594235443 998895616 /nfs/dbraw/zinc/89/56/16/998895616.db2.gz HFEVADYDMXWYMW-RYUDHWBXSA-N -1 0 307.390 3.560 20 0 DHADRM CC1CC(CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001594239380 998913220 /nfs/dbraw/zinc/91/32/20/998913220.db2.gz PNSQRWBMAJEZFS-UHFFFAOYSA-N -1 0 312.369 3.706 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)CCCCC(=O)[O-])C1 ZINC001594253198 998974879 /nfs/dbraw/zinc/97/48/79/998974879.db2.gz NGUBWLBBENEGAY-UAGQMJEPSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594270565 999045916 /nfs/dbraw/zinc/04/59/16/999045916.db2.gz WJWFWSATOUSGGT-DYVFJYSZSA-N -1 0 309.365 3.608 20 0 DHADRM C[C@@H]1C[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001594275589 999066170 /nfs/dbraw/zinc/06/61/70/999066170.db2.gz ULZPKQKGXZFQMJ-MWLCHTKSSA-N -1 0 301.367 3.708 20 0 DHADRM C[C@@H]1CC2(CCC2)CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594287927 999114026 /nfs/dbraw/zinc/11/40/26/999114026.db2.gz YXHSDTYYVHPECU-SECBINFHSA-N -1 0 314.307 3.568 20 0 DHADRM C[C@H]1CC=C(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC001594290413 999117717 /nfs/dbraw/zinc/11/77/17/999117717.db2.gz IMBRODYSQDTXAN-LBPRGKRZSA-N -1 0 319.426 3.689 20 0 DHADRM CO[C@H](C)c1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599041090 999118055 /nfs/dbraw/zinc/11/80/55/999118055.db2.gz JYAMPZARDVEFCM-NXEZZACHSA-N -1 0 306.387 3.722 20 0 DHADRM C[C@H]1CC=C(c2nc(COc3cccc(C(=O)[O-])c3)no2)CC1 ZINC001594290969 999120827 /nfs/dbraw/zinc/12/08/27/999120827.db2.gz OGYACTYOZYFCQQ-NSHDSACASA-N -1 0 314.341 3.550 20 0 DHADRM CC1CCC(=CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)CC1 ZINC001594291116 999121633 /nfs/dbraw/zinc/12/16/33/999121633.db2.gz PNURGFAUMYNOLM-VDBQLOCMSA-N -1 0 319.445 3.615 20 0 DHADRM CC1CCC(=CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)CC1 ZINC001594291113 999121681 /nfs/dbraw/zinc/12/16/81/999121681.db2.gz PNURGFAUMYNOLM-AVMKKKNMSA-N -1 0 319.445 3.615 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001594291192 999122009 /nfs/dbraw/zinc/12/20/09/999122009.db2.gz SETGYYAHIWHKCG-CBVZUMJXSA-N -1 0 311.740 3.862 20 0 DHADRM C[C@@H]1CC=CC[C@H]1COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594291822 999125305 /nfs/dbraw/zinc/12/53/05/999125305.db2.gz ZHNKFBXNCHWLHC-PWSUYJOCSA-N -1 0 308.761 3.797 20 0 DHADRM C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001594295370 999136217 /nfs/dbraw/zinc/13/62/17/999136217.db2.gz ABFWYGBNXLDKAG-DOMZBBRYSA-N -1 0 315.417 3.748 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N(C)C(C)(C)CC(=O)[O-])C1(C)C ZINC001594295396 999136321 /nfs/dbraw/zinc/13/63/21/999136321.db2.gz AZUDFIRDQNPCDR-INTCCGRESA-N -1 0 309.450 3.717 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)Oc2ccc(SCC(=O)[O-])cc2)C[C@@H]1C ZINC001594295915 999139763 /nfs/dbraw/zinc/13/97/63/999139763.db2.gz KVVBDDPHSFJZOX-FRRDWIJNSA-N -1 0 322.426 3.841 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@@H]1C ZINC001594297666 999148548 /nfs/dbraw/zinc/14/85/48/999148548.db2.gz ZAVLYONKRMCJMX-RJFUSWPYSA-N -1 0 315.413 3.886 20 0 DHADRM C[C@@H]1CC[C@@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594308323 999190167 /nfs/dbraw/zinc/19/01/67/999190167.db2.gz IMWOGTLXVMWLKP-RKDXNWHRSA-N -1 0 302.296 3.647 20 0 DHADRM C[C@@H]1CC[C@@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC001594328819 999263327 /nfs/dbraw/zinc/26/33/27/999263327.db2.gz PGHZFVZZCYLCQX-XJKCOSOUSA-N -1 0 304.386 3.685 20 0 DHADRM C[C@@H]1CC[C@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@H]1C ZINC001594329438 999266279 /nfs/dbraw/zinc/26/62/79/999266279.db2.gz ZTNJNVZAGBUYDF-ISLQHJTJSA-N -1 0 308.418 3.780 20 0 DHADRM C[C@H]1CCC[C@H](CC(=O)N2CCCc3c(C(=O)[O-])cccc32)C1 ZINC001594344668 999303536 /nfs/dbraw/zinc/30/35/36/999303536.db2.gz HKIYKTFCAKHUCT-KBPBESRZSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001594345366 999306606 /nfs/dbraw/zinc/30/66/06/999306606.db2.gz SOANSMZZYWFRQB-ZJUUUORDSA-N -1 0 311.328 3.818 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H]1C ZINC001594346806 999314160 /nfs/dbraw/zinc/31/41/60/999314160.db2.gz SKIZIJKYTNCEES-UMVBOHGHSA-N -1 0 318.417 3.508 20 0 DHADRM C[C@H]1CCC[C@H]1CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001594359320 999357816 /nfs/dbraw/zinc/35/78/16/999357816.db2.gz FAXRCCNFQXDREJ-UWVGGRQHSA-N -1 0 312.312 3.533 20 0 DHADRM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594360044 999361604 /nfs/dbraw/zinc/36/16/04/999361604.db2.gz QGVLDDILADFWKW-DLKVLKDVSA-N -1 0 301.386 3.640 20 0 DHADRM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594363796 999373664 /nfs/dbraw/zinc/37/36/64/999373664.db2.gz LNHAJQWILOHAMJ-WPRPVWTQSA-N -1 0 311.765 3.509 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594363991 999374552 /nfs/dbraw/zinc/37/45/52/999374552.db2.gz QHOXUIMTDXKDQH-OLZOCXBDSA-N -1 0 318.417 3.606 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN1CCCc2c(C(=O)[O-])cccc21 ZINC001594371214 999399957 /nfs/dbraw/zinc/39/99/57/999399957.db2.gz PCVSIHCRYRMJGZ-RDTXWAMCSA-N -1 0 317.429 3.733 20 0 DHADRM C[C@H]1CCCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001594377470 999422709 /nfs/dbraw/zinc/42/27/09/999422709.db2.gz DMZDQLPOCVBVPX-LBPRGKRZSA-N -1 0 312.369 3.802 20 0 DHADRM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)c2ccccc2S1 ZINC001594426004 999590759 /nfs/dbraw/zinc/59/07/59/999590759.db2.gz FPVCTCHXLONNAX-SNVBAGLBSA-N -1 0 320.439 3.732 20 0 DHADRM Cc1cc(Nc2cc(Cl)c3nccn3c2)cc(C(=O)[O-])c1 ZINC001211539035 1016332693 /nfs/dbraw/zinc/33/26/93/1016332693.db2.gz CBMGDSATPFKFIA-UHFFFAOYSA-N -1 0 301.733 3.738 20 0 DHADRM Cc1cc(Nc2cc(-c3ccccn3)c[nH]c2=O)cc(C(=O)[O-])c1 ZINC001211539167 1016335830 /nfs/dbraw/zinc/33/58/30/1016335830.db2.gz JSPGSGOXNCGRRU-UHFFFAOYSA-N -1 0 321.336 3.599 20 0 DHADRM Cc1cc(Nc2cnc(-c3ccc(O)cc3)nc2)cc(C(=O)[O-])c1 ZINC001211539246 1016337304 /nfs/dbraw/zinc/33/73/04/1016337304.db2.gz NFFGMPWJUDKDIF-UHFFFAOYSA-N -1 0 321.336 3.599 20 0 DHADRM C[C@@H]1CCc2nc(/C=C\c3ccc(C(=O)[O-])cn3)sc2C1 ZINC001594450922 999648849 /nfs/dbraw/zinc/64/88/49/999648849.db2.gz OQZMWGUIPXHFAA-ONRRBMGISA-N -1 0 300.383 3.532 20 0 DHADRM Cc1cc(Nc2cn3c(cccc3Cl)n2)cc(C(=O)[O-])c1 ZINC001211539256 1016337779 /nfs/dbraw/zinc/33/77/79/1016337779.db2.gz NRERRLFDYNCSHZ-UHFFFAOYSA-N -1 0 301.733 3.738 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(-c2cccc(Cl)c2)cs1 ZINC000346401662 1016389789 /nfs/dbraw/zinc/38/97/89/1016389789.db2.gz CMKTWJLIZJZXIG-UHFFFAOYSA-N -1 0 316.835 3.615 20 0 DHADRM O=C([O-])c1cc(Nc2cccc(CO)c2)c(Cl)cc1Cl ZINC001216359420 1016396722 /nfs/dbraw/zinc/39/67/22/1016396722.db2.gz JGZWHURDOIFYHI-UHFFFAOYSA-N -1 0 312.152 3.928 20 0 DHADRM CC1(CNC(=O)c2s[n-]c(=O)c2Cl)CCCCCC1 ZINC000622486760 1016432788 /nfs/dbraw/zinc/43/27/88/1016432788.db2.gz AHOMEJTWJPDRTL-UHFFFAOYSA-N -1 0 302.827 3.592 20 0 DHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCCC1 ZINC000079154609 1016495634 /nfs/dbraw/zinc/49/56/34/1016495634.db2.gz LXSDINHVHSSMAX-QWHCGFSZSA-N -1 0 309.431 3.860 20 0 DHADRM CCc1ccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c(O)c1 ZINC000622744471 1016554678 /nfs/dbraw/zinc/55/46/78/1016554678.db2.gz XGTCQWMWVYBVQC-NSHDSACASA-N -1 0 311.372 3.898 20 0 DHADRM CC1(C)CN(C(=O)c2ccccc2CCC(=O)[O-])c2ccccc21 ZINC000909554458 1016590501 /nfs/dbraw/zinc/59/05/01/1016590501.db2.gz XVPOKMBNXQOAER-UHFFFAOYSA-N -1 0 323.392 3.642 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000400375237 1016618285 /nfs/dbraw/zinc/61/82/85/1016618285.db2.gz INDZGSWFQCHELJ-PELKAZGASA-N -1 0 318.200 3.613 20 0 DHADRM Cc1cc(Nc2ccc3nc(C(C)C)nn3c2)cc(C(=O)[O-])c1 ZINC001211542367 1016620731 /nfs/dbraw/zinc/62/07/31/1016620731.db2.gz HIWYVQSXUZJYMU-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCC1CCCCC1 ZINC000336848315 1016721041 /nfs/dbraw/zinc/72/10/41/1016721041.db2.gz IYTLUCKHORFFQQ-XHSDSOJGSA-N -1 0 307.434 3.591 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000347093809 1016725927 /nfs/dbraw/zinc/72/59/27/1016725927.db2.gz BVQZPIVBQRVQJF-UHFFFAOYSA-N -1 0 301.367 3.505 20 0 DHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000684895166 1016851483 /nfs/dbraw/zinc/85/14/83/1016851483.db2.gz PSGQFMSIPFFTMY-LBPRGKRZSA-N -1 0 306.406 3.602 20 0 DHADRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3ccoc3)s2)c1 ZINC000342650024 1016924729 /nfs/dbraw/zinc/92/47/29/1016924729.db2.gz GOTHMGPLAXZECA-UHFFFAOYSA-N -1 0 320.395 3.512 20 0 DHADRM Cc1cc(Nc2ccc3c(c2)CN(C2CC2)C3=O)cc(C(=O)[O-])c1 ZINC001211549480 1016954843 /nfs/dbraw/zinc/95/48/43/1016954843.db2.gz KXLWTCQPWIHFDG-UHFFFAOYSA-N -1 0 322.364 3.555 20 0 DHADRM CCOC(=O)Cc1cccc(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211549488 1016959596 /nfs/dbraw/zinc/95/95/96/1016959596.db2.gz LJHHKZHEYAXFGC-UHFFFAOYSA-N -1 0 313.353 3.542 20 0 DHADRM Cc1cccc(C2(NC(=O)CC3(C(=O)[O-])CCC3)CCCC2)c1 ZINC000262443300 1017047890 /nfs/dbraw/zinc/04/78/90/1017047890.db2.gz CYTZLQJWRMTYLN-UHFFFAOYSA-N -1 0 315.413 3.526 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2ccc(F)c(F)c2)no1 ZINC000445441480 1032155766 /nfs/dbraw/zinc/15/57/66/1032155766.db2.gz IDHZUSSMZLGKJL-UHFFFAOYSA-N -1 0 322.698 3.965 20 0 DHADRM O=C(NCCOC1CCCCCC1)c1ccc([O-])c(Cl)c1 ZINC000118523385 1032246557 /nfs/dbraw/zinc/24/65/57/1032246557.db2.gz TVAIXJPRMNCJLM-UHFFFAOYSA-N -1 0 311.809 3.515 20 0 DHADRM CC(F)(F)c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001212677369 1033321772 /nfs/dbraw/zinc/32/17/72/1033321772.db2.gz SHQMWJPGWYXXGO-UHFFFAOYSA-N -1 0 313.325 3.789 20 0 DHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc[nH]c1=S ZINC001147681232 1032330319 /nfs/dbraw/zinc/33/03/19/1032330319.db2.gz ZHOGGEJYNFQMOJ-UHFFFAOYSA-N 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PQTIKAOITIUMCU-NSHDSACASA-N -1 0 324.789 3.606 20 0 DHADRM Cc1cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051090 1034278502 /nfs/dbraw/zinc/27/85/02/1034278502.db2.gz AGSMKOUDMXJAHM-KBPBESRZSA-N -1 0 321.417 3.502 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1C(=O)[O-] ZINC000864101836 1034290057 /nfs/dbraw/zinc/29/00/57/1034290057.db2.gz RAAKAHWUOIHCKT-OAHLLOKOSA-N -1 0 315.394 3.636 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864102069 1034290182 /nfs/dbraw/zinc/29/01/82/1034290182.db2.gz CRKVTOCVIMBYFJ-AWEZNQCLSA-N -1 0 311.381 3.835 20 0 DHADRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)C1CCCCCCC1 ZINC000864107741 1034292844 /nfs/dbraw/zinc/29/28/44/1034292844.db2.gz WFNAXSXQMXKEEV-KTKRTIGZSA-N -1 0 305.374 3.562 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000864142420 1034297050 /nfs/dbraw/zinc/29/70/50/1034297050.db2.gz HSYGZGGDKVRCEF-AWEZNQCLSA-N -1 0 311.381 3.835 20 0 DHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000179299946 1034297744 /nfs/dbraw/zinc/29/77/44/1034297744.db2.gz NPIOXFOEPXNYLZ-QMMMGPOBSA-N -1 0 307.781 3.518 20 0 DHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCC(C)(C)C1 ZINC000864178466 1034299401 /nfs/dbraw/zinc/29/94/01/1034299401.db2.gz AVZYWOGFILISFY-LLVKDONJSA-N -1 0 309.793 3.689 20 0 DHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CCCCC(=O)[O-])C1 ZINC000864173394 1034299976 /nfs/dbraw/zinc/29/99/76/1034299976.db2.gz AVKCMOWMGKVDNK-HNNXBMFYSA-N -1 0 317.429 3.883 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000864176931 1034300085 /nfs/dbraw/zinc/30/00/85/1034300085.db2.gz ZYZYMJUVROMMCD-XUWVNRHRSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000864233645 1034303001 /nfs/dbraw/zinc/30/30/01/1034303001.db2.gz YCMUYTWTPOJMCP-HZPDHXFCSA-N -1 0 315.413 3.597 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)c2ccccc21 ZINC000864229686 1034303091 /nfs/dbraw/zinc/30/30/91/1034303091.db2.gz ZIQBWDLPMHRUPT-AWEZNQCLSA-N -1 0 313.397 3.562 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C3CC3)c2)c1 ZINC000864231395 1034303247 /nfs/dbraw/zinc/30/32/47/1034303247.db2.gz HQHNOAACMOGNDH-SFHVURJKSA-N -1 0 323.392 3.818 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cccc3cccnc32)CCCC1 ZINC000322015111 1034342839 /nfs/dbraw/zinc/34/28/39/1034342839.db2.gz TXRXWQMXRQFMLN-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000777367229 1034346528 /nfs/dbraw/zinc/34/65/28/1034346528.db2.gz CETODUHALPQPLN-RHSMWYFYSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCCC[C@](C)(NC(=O)/C=C\c1cccs1)C(=O)[O-] ZINC000777372634 1034348048 /nfs/dbraw/zinc/34/80/48/1034348048.db2.gz WBINPLCJANSDJU-YDZSZYSISA-N -1 0 309.431 3.691 20 0 DHADRM CC1(C)CCc2sc(NC(=O)c3ccc(Cl)c([O-])c3)nc21 ZINC001142607780 1034362499 /nfs/dbraw/zinc/36/24/99/1034362499.db2.gz AHDRVDQDRZGDLU-UHFFFAOYSA-N -1 0 322.817 3.978 20 0 DHADRM Cc1c(Cl)cccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000864515700 1034368614 /nfs/dbraw/zinc/36/86/14/1034368614.db2.gz BMMHVJAQIRGCAC-VIFPVBQESA-N -1 0 310.806 3.654 20 0 DHADRM COc1ccc(F)c(F)c1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174426392 1034374656 /nfs/dbraw/zinc/37/46/56/1034374656.db2.gz SUBFRSPHKPEKEI-UHFFFAOYSA-N -1 0 317.295 3.608 20 0 DHADRM CC(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](C(=O)[O-])[C@H]2C3)c(F)c1 ZINC000864607772 1034394905 /nfs/dbraw/zinc/39/49/05/1034394905.db2.gz AVZVVSMOIUJIIX-CGTJXYLNSA-N -1 0 310.324 3.666 20 0 DHADRM COCCOCc1cccc(-c2ccc(/C=C(/C)C(=O)[O-])o2)c1 ZINC000864609150 1034395415 /nfs/dbraw/zinc/39/54/15/1034395415.db2.gz PWIWUSDYZLPHLU-RAXLEYEMSA-N -1 0 316.353 3.598 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2nc(Cl)cnc2Cl)c1 ZINC001174494435 1034409971 /nfs/dbraw/zinc/40/99/71/1034409971.db2.gz DFRNZAYZTQDSGN-SNAWJCMRSA-N -1 0 310.140 3.625 20 0 DHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cnc1Cl ZINC001174495965 1034412609 /nfs/dbraw/zinc/41/26/09/1034412609.db2.gz 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/nfs/dbraw/zinc/54/00/67/1034540067.db2.gz UYRVZEGQUFQQGN-UHFFFAOYSA-N -1 0 318.716 3.932 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)CCCC2=O ZINC001174675715 1034542594 /nfs/dbraw/zinc/54/25/94/1034542594.db2.gz RUKZBSQCFNKXMN-UHFFFAOYSA-N -1 0 311.337 3.656 20 0 DHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1Cl ZINC001174676195 1034542952 /nfs/dbraw/zinc/54/29/52/1034542952.db2.gz HFNLBPNNEBFFAC-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(F)cc(F)c1C(C)=O ZINC001174675687 1034543223 /nfs/dbraw/zinc/54/32/23/1034543223.db2.gz RDVLSMFQDOYMBE-UHFFFAOYSA-N -1 0 321.279 3.618 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Br)cc1 ZINC001174678025 1034544627 /nfs/dbraw/zinc/54/46/27/1034544627.db2.gz XECLQIJTTFDIKK-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COc1cc(Nc2cc(-c3cccs3)no2)ccc1C(=O)[O-] ZINC001174683692 1034546647 /nfs/dbraw/zinc/54/66/47/1034546647.db2.gz AAUFADIFBTWECP-UHFFFAOYSA-N -1 0 316.338 3.854 20 0 DHADRM COc1cc(Nc2cnc(-c3ccccc3)cn2)ccc1C(=O)[O-] ZINC001174681452 1034547892 /nfs/dbraw/zinc/54/78/92/1034547892.db2.gz TYFZSDGJOCYDHR-UHFFFAOYSA-N -1 0 321.336 3.594 20 0 DHADRM COc1cccc2ncc(Nc3ccc(C(=O)[O-])c(OC)c3)cc21 ZINC001174684779 1034547991 /nfs/dbraw/zinc/54/79/91/1034547991.db2.gz ZIARFQSIRNBSIS-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1cc(Nc2cncc(C(C)(C)C)c2)ccc1C(=O)[O-] ZINC001174684176 1034548351 /nfs/dbraw/zinc/54/83/51/1034548351.db2.gz YPLWICZWAMLBPL-UHFFFAOYSA-N -1 0 300.358 3.830 20 0 DHADRM CCn1ncc2cc(Nc3ccc(C(=O)[O-])c(OC)c3)ccc21 ZINC001174686029 1034549640 /nfs/dbraw/zinc/54/96/40/1034549640.db2.gz IFWFEXSZAHIPLM-UHFFFAOYSA-N -1 0 311.341 3.507 20 0 DHADRM COc1cc(Nc2cccc3cc(O)ccc32)ccc1C(=O)[O-] ZINC001174686474 1034549939 /nfs/dbraw/zinc/54/99/39/1034549939.db2.gz FKSAJSNTYHYNJR-UHFFFAOYSA-N -1 0 309.321 3.996 20 0 DHADRM COc1cc(Nc2ccc(O)c3ccccc23)ccc1C(=O)[O-] ZINC001174685680 1034550040 /nfs/dbraw/zinc/55/00/40/1034550040.db2.gz ZWYBKRLWWZNRAW-UHFFFAOYSA-N -1 0 309.321 3.996 20 0 DHADRM CCN(C)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174688475 1034550066 /nfs/dbraw/zinc/55/00/66/1034550066.db2.gz YJJNGBSPDDAMDX-UHFFFAOYSA-N -1 0 300.358 3.593 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2ccccc2)no1 ZINC001174669656 1034566690 /nfs/dbraw/zinc/56/66/90/1034566690.db2.gz AEOHJHFRYIWEKE-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM O=c1cc(C2CCOCC2)[n-]n1-c1ccc(Cl)cc1Cl ZINC000899346565 1034584630 /nfs/dbraw/zinc/58/46/30/1034584630.db2.gz QBATWMYQKOSKLR-UHFFFAOYSA-N -1 0 313.184 3.513 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccccc1Cl ZINC000899346365 1034585663 /nfs/dbraw/zinc/58/56/63/1034585663.db2.gz LBWDMFNQTPBTHL-JTQLQIEISA-N -1 0 302.683 3.631 20 0 DHADRM CSc1ccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)cc1 ZINC000899348936 1034595260 /nfs/dbraw/zinc/59/52/60/1034595260.db2.gz PVPIBQOBZIAPST-LLVKDONJSA-N -1 0 314.332 3.700 20 0 DHADRM O=S(=O)([O-])c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 ZINC001174775931 1034599957 /nfs/dbraw/zinc/59/99/57/1034599957.db2.gz UAERLFQVKNVBJH-UHFFFAOYSA-N -1 0 317.288 3.696 20 0 DHADRM CC1(C)CCC(n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)CC1 ZINC000899358340 1034602788 /nfs/dbraw/zinc/60/27/88/1034602788.db2.gz VSDSHDGKBYZXBA-NSHDSACASA-N -1 0 302.340 3.742 20 0 DHADRM O=S(=O)([O-])c1ccc(Nc2ccc3cc[nH]c3c2)c(Cl)c1 ZINC001174755896 1034611704 /nfs/dbraw/zinc/61/17/04/1034611704.db2.gz VVFWRBOXADCPOK-UHFFFAOYSA-N -1 0 322.773 3.812 20 0 DHADRM O=C([O-])c1ccc(Nc2cccnc2N2CCCCC2)s1 ZINC001174806061 1034630606 /nfs/dbraw/zinc/63/06/06/1034630606.db2.gz QJSIUTOYGNLNLH-UHFFFAOYSA-N -1 0 303.387 3.575 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)n(-c2ccc(F)cc2)n1 ZINC001174805952 1034631786 /nfs/dbraw/zinc/63/17/86/1034631786.db2.gz KZJHDGQHVTYZOB-UHFFFAOYSA-N -1 0 317.345 3.823 20 0 DHADRM Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])s2)c(Cl)n1 ZINC001174805715 1034631943 /nfs/dbraw/zinc/63/19/43/1034631943.db2.gz WYJVAFICAIHQSZ-UHFFFAOYSA-N -1 0 304.158 3.595 20 0 DHADRM O=C([O-])c1ccc(Nc2nc(Cl)c(Cl)nc2Cl)s1 ZINC001174808233 1034632733 /nfs/dbraw/zinc/63/27/33/1034632733.db2.gz UAOQAYJEXNFRFQ-UHFFFAOYSA-N -1 0 324.576 3.940 20 0 DHADRM Cc1ccc(Br)nc1Nc1ccc(C(=O)[O-])s1 ZINC001174808868 1034633038 /nfs/dbraw/zinc/63/30/38/1034633038.db2.gz YFPGQXGFIWICFM-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1cc(C)n(-c2ccc(Nc3ccc(C(=O)[O-])s3)cc2)n1 ZINC001174807157 1034633756 /nfs/dbraw/zinc/63/37/56/1034633756.db2.gz JXVDWDACZJBHNK-UHFFFAOYSA-N -1 0 313.382 3.992 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(C(F)(F)F)ccc2O)s1 ZINC001174809168 1034635050 /nfs/dbraw/zinc/63/50/50/1034635050.db2.gz CJSVPAXJMKDSPY-UHFFFAOYSA-N -1 0 303.261 3.914 20 0 DHADRM CCOC(=O)c1ccc(F)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174809733 1034635664 /nfs/dbraw/zinc/63/56/64/1034635664.db2.gz QMLFOFFGNDPNCE-UHFFFAOYSA-N -1 0 309.318 3.506 20 0 DHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174810770 1034635890 /nfs/dbraw/zinc/63/58/90/1034635890.db2.gz SCGQODRXWRWDRT-UHFFFAOYSA-N -1 0 307.371 3.605 20 0 DHADRM Cc1ccc(-c2cc(Nc3ccc(C(=O)[O-])s3)n(C)n2)cc1 ZINC001174808904 1034635941 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332961217 /nfs/dbraw/zinc/96/12/17/332961217.db2.gz KUKKSUDUUZESLH-GOSISDBHSA-N -1 0 312.369 3.507 20 0 DHADRM Cc1oc2ccc(NC(=O)N3CCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000562974557 333000262 /nfs/dbraw/zinc/00/02/62/333000262.db2.gz QJYCHCUGOOHXEL-CQSZACIVSA-N -1 0 316.357 3.521 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000178411289 333010968 /nfs/dbraw/zinc/01/09/68/333010968.db2.gz DZZUMYMJTRJVOT-HNNXBMFYSA-N -1 0 317.772 3.594 20 0 DHADRM CCc1ccccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000178762870 333019333 /nfs/dbraw/zinc/01/93/33/333019333.db2.gz YKZIOVUMAGDONH-KRWDZBQOSA-N -1 0 311.381 3.585 20 0 DHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000580224241 333025973 /nfs/dbraw/zinc/02/59/73/333025973.db2.gz HWWMLQSWZIITAL-UHFFFAOYSA-N -1 0 310.806 3.659 20 0 DHADRM CC(C)OCCCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000180932762 333028763 /nfs/dbraw/zinc/02/87/63/333028763.db2.gz UALAUUDXUIHBIO-UHFFFAOYSA-N -1 0 320.216 3.634 20 0 DHADRM 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CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(C)cc2)c1 ZINC000436874222 338291181 /nfs/dbraw/zinc/29/11/81/338291181.db2.gz ZYSDCNIVNRKWJG-UHFFFAOYSA-N -1 0 315.394 3.634 20 0 DHADRM COc1cc(-c2noc(-c3cc4ccccc4o3)n2)ccc1O ZINC000436898715 338292519 /nfs/dbraw/zinc/29/25/19/338292519.db2.gz ZJAFVXHXOSBQKI-UHFFFAOYSA-N -1 0 308.293 3.864 20 0 DHADRM COc1cc(C)c(NC(=O)c2ccc(Cl)cc2[O-])cc1C ZINC000436897276 338292596 /nfs/dbraw/zinc/29/25/96/338292596.db2.gz RPUAYUHKAIVSAX-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H]1Cc1ccccc1 ZINC000436942005 338295041 /nfs/dbraw/zinc/29/50/41/338295041.db2.gz SPMNDKDEXVTABM-ZDUSSCGKSA-N -1 0 319.763 3.642 20 0 DHADRM Cc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c2n[nH]cc21 ZINC000436963272 338296039 /nfs/dbraw/zinc/29/60/39/338296039.db2.gz ZDKDQWLGPBBJDM-UHFFFAOYSA-N -1 0 319.723 3.622 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000436981176 338296582 /nfs/dbraw/zinc/29/65/82/338296582.db2.gz PZWNANDEQFAOIL-LBPRGKRZSA-N -1 0 303.789 3.888 20 0 DHADRM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)C1 ZINC000437000057 338297275 /nfs/dbraw/zinc/29/72/75/338297275.db2.gz KTUUDYUKXGFGAD-QFYYESIMSA-N -1 0 311.784 3.837 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000437337151 338307261 /nfs/dbraw/zinc/30/72/61/338307261.db2.gz MVEVKBSGUMECAJ-UHFFFAOYSA-N -1 0 324.471 3.804 20 0 DHADRM CCc1cnc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000437339662 338307416 /nfs/dbraw/zinc/30/74/16/338307416.db2.gz JFUVMEYOWCOFSK-UHFFFAOYSA-N -1 0 324.471 3.804 20 0 DHADRM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1ccco1 ZINC000437658790 338317598 /nfs/dbraw/zinc/31/75/98/338317598.db2.gz AGOJAHGMHOASBM-UHFFFAOYSA-N -1 0 315.350 3.873 20 0 DHADRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccco3)cc2s1 ZINC000437675310 338318045 /nfs/dbraw/zinc/31/80/45/338318045.db2.gz OMHCVWNKVRFTKN-UHFFFAOYSA-N -1 0 322.411 3.814 20 0 DHADRM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccco3)ccc21 ZINC000437679863 338318162 /nfs/dbraw/zinc/31/81/62/338318162.db2.gz 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CCC1(CC)CCC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000450536779 338689866 /nfs/dbraw/zinc/68/98/66/338689866.db2.gz BKTLWRZEGGCQQX-HDJSIYSDSA-N -1 0 309.450 3.743 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCCCCC(=O)C1 ZINC000580510739 338730936 /nfs/dbraw/zinc/73/09/36/338730936.db2.gz WADRVGMZOZTLMM-SECBINFHSA-N -1 0 313.756 3.663 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000451529720 338737844 /nfs/dbraw/zinc/73/78/44/338737844.db2.gz HASUJMMDQWNULT-ZDUSSCGKSA-N -1 0 316.405 3.578 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1(C(F)(F)F)CCC1 ZINC000451742502 338743357 /nfs/dbraw/zinc/74/33/57/338743357.db2.gz HEZCGBBICHSBPZ-UHFFFAOYSA-N -1 0 311.662 3.856 20 0 DHADRM CC1(C)CCC[C@H](CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000455797437 338908960 /nfs/dbraw/zinc/90/89/60/338908960.db2.gz QUPITUZGKZFZQM-HUUCEWRRSA-N -1 0 309.450 3.839 20 0 DHADRM CCOc1cc(C[NH2+]Cc2ccc(C)c(C)n2)cc(Cl)c1O ZINC000459659182 339041123 /nfs/dbraw/zinc/04/11/23/339041123.db2.gz 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CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H](c3ccccc3)C2)s[n-]1 ZINC000509853023 340281659 /nfs/dbraw/zinc/28/16/59/340281659.db2.gz LNHXXRJINNSZRZ-VHDGCEQUSA-N -1 0 317.458 3.806 20 0 DHADRM Cc1ccccc1O[C@@H](C)CNCc1c(F)ccc(O)c1F ZINC000511356938 340325728 /nfs/dbraw/zinc/32/57/28/340325728.db2.gz DQTFAPCNTJCYNE-LBPRGKRZSA-N -1 0 307.340 3.536 20 0 DHADRM Cc1ccccc1O[C@H](C)CNCc1c(F)ccc(O)c1F ZINC000511356911 340325736 /nfs/dbraw/zinc/32/57/36/340325736.db2.gz DQTFAPCNTJCYNE-GFCCVEGCSA-N -1 0 307.340 3.536 20 0 DHADRM C[C@H](C[NH2+]Cc1c(F)ccc(O)c1F)Sc1ccccc1 ZINC000511431969 340327210 /nfs/dbraw/zinc/32/72/10/340327210.db2.gz VMEMCVFBLNTOJN-LLVKDONJSA-N -1 0 309.381 3.941 20 0 DHADRM O=C([O-])C[C@H]1CCCN1c1nccc2cc(C(F)(F)F)ccc21 ZINC000516773847 340455483 /nfs/dbraw/zinc/45/54/83/340455483.db2.gz ASUZSWKRCZZCFC-GFCCVEGCSA-N -1 0 324.302 3.697 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)CC(C)C ZINC000517518896 340471017 /nfs/dbraw/zinc/47/10/17/340471017.db2.gz 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340675138 /nfs/dbraw/zinc/67/51/38/340675138.db2.gz VKLVQVLUJWDJHI-UHFFFAOYSA-N -1 0 313.397 3.848 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)CCCC2CCCCC2)cc1 ZINC000238085283 340675791 /nfs/dbraw/zinc/67/57/91/340675791.db2.gz IKLDOQXYZZZBPJ-UHFFFAOYSA-N -1 0 303.402 3.752 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3ccccc3s2)c1 ZINC000238158185 340675865 /nfs/dbraw/zinc/67/58/65/340675865.db2.gz BXTJNVXSWAKNAD-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2csc3c2CCCC3)c1 ZINC000238163390 340675882 /nfs/dbraw/zinc/67/58/82/340675882.db2.gz ZJMVJKSYHOYKCB-UHFFFAOYSA-N -1 0 319.357 3.717 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000322445432 340704772 /nfs/dbraw/zinc/70/47/72/340704772.db2.gz SQPFMCAKTAKSAD-UHFFFAOYSA-N -1 0 309.321 3.702 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 ZINC000037716454 340786080 /nfs/dbraw/zinc/78/60/80/340786080.db2.gz QGJJNWNLVLSMEK-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM CC(C)Oc1ccc(Cl)c(-c2nc3ccccc3c(=O)[n-]2)n1 ZINC000065278982 340822831 /nfs/dbraw/zinc/82/28/31/340822831.db2.gz QEGOZHKNOHIHNJ-UHFFFAOYSA-N -1 0 315.760 3.838 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539607063 340892226 /nfs/dbraw/zinc/89/22/26/340892226.db2.gz WLTXNNYRZVLYPJ-CZUORRHYSA-N -1 0 309.450 3.743 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000539612636 340892783 /nfs/dbraw/zinc/89/27/83/340892783.db2.gz CFBDGHQWZNHLJT-NSHDSACASA-N -1 0 323.458 3.636 20 0 DHADRM O=C([O-])c1cccc(CCNC(=O)CC/C=C\c2ccccc2)c1 ZINC000539676318 340895522 /nfs/dbraw/zinc/89/55/22/340895522.db2.gz BKIOTYOMDBKGBY-WTKPLQERSA-N -1 0 323.392 3.537 20 0 DHADRM CC(C)CN(C(=O)c1cccc(Br)c1[O-])C(C)C ZINC000539840503 340905327 /nfs/dbraw/zinc/90/53/27/340905327.db2.gz ARLHHRAMZZTAQM-UHFFFAOYSA-N -1 0 314.223 3.661 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)o1 ZINC000540214847 340923674 /nfs/dbraw/zinc/92/36/74/340923674.db2.gz KEQGSDOSYVGMNN-UHFFFAOYSA-N -1 0 320.395 3.512 20 0 DHADRM 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O=C([O-])c1ccc(NC(=O)/C=C/c2ccccc2Cl)c(F)c1 ZINC000316359320 600201745 /nfs/dbraw/zinc/20/17/45/600201745.db2.gz GFHIZUUEKUGDSD-SOFGYWHQSA-N -1 0 319.719 3.829 20 0 DHADRM C[C@H](CC(=O)Oc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736564072 600205293 /nfs/dbraw/zinc/20/52/93/600205293.db2.gz XBZRKYWAHNMIFY-LLVKDONJSA-N -1 0 302.301 3.623 20 0 DHADRM Cc1oc(COC(=O)C[C@@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000738985173 600206464 /nfs/dbraw/zinc/20/64/64/600206464.db2.gz ZWPWBTNJNRTTHR-SNVBAGLBSA-N -1 0 320.316 3.662 20 0 DHADRM CC(C)CCc1noc(CNc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000736436021 600206736 /nfs/dbraw/zinc/20/67/36/600206736.db2.gz NFRPBUAQWJVURD-UHFFFAOYSA-N -1 0 323.780 3.622 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cccc(F)c1 ZINC000541575460 600207179 /nfs/dbraw/zinc/20/71/79/600207179.db2.gz NSSYRKGGRKGGCQ-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738756155 600208478 /nfs/dbraw/zinc/20/84/78/600208478.db2.gz 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/nfs/dbraw/zinc/23/24/63/600232463.db2.gz IOMRSNOAUZUXTO-AWEZNQCLSA-N -1 0 314.341 3.655 20 0 DHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736557093 600237660 /nfs/dbraw/zinc/23/76/60/600237660.db2.gz QJRMQXCXRIJHKO-LBPRGKRZSA-N -1 0 316.328 3.761 20 0 DHADRM Cc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)sc1C ZINC000087569898 600245988 /nfs/dbraw/zinc/24/59/88/600245988.db2.gz WPGGTJRLGHXIJR-UHFFFAOYSA-N -1 0 300.339 3.780 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000738084840 600249922 /nfs/dbraw/zinc/24/99/22/600249922.db2.gz INIZOLZABVVIOU-RYUDHWBXSA-N -1 0 306.358 3.515 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC000321809943 600257460 /nfs/dbraw/zinc/25/74/60/600257460.db2.gz BKOAFQSMIKKGRC-BLLLJJGKSA-N -1 0 312.369 3.548 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1cc2occc2s1)c1ccc(F)cc1 ZINC000740289943 600271546 /nfs/dbraw/zinc/27/15/46/600271546.db2.gz HTSFCVPSBXKIMK-CYBMUJFWSA-N -1 0 320.297 3.616 20 0 DHADRM O=C([O-])CSCC/C=C\c1ccc(Br)cc1 ZINC000738618842 600274439 /nfs/dbraw/zinc/27/44/39/600274439.db2.gz CPKCXGHABMRIDE-IWQZZHSRSA-N -1 0 301.205 3.670 20 0 DHADRM Cc1ncc(CSc2nc3ccc(C(=O)[O-])cc3o2)s1 ZINC000738885974 600277067 /nfs/dbraw/zinc/27/70/67/600277067.db2.gz ZZKOQKPLADHTNP-UHFFFAOYSA-N -1 0 306.368 3.583 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000316100977 600278254 /nfs/dbraw/zinc/27/82/54/600278254.db2.gz KYQDTHFBYPXMOG-LLVKDONJSA-N -1 0 310.369 3.860 20 0 DHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000147369945 600281832 /nfs/dbraw/zinc/28/18/32/600281832.db2.gz RYWMRXRBESUHFM-JOYOIKCWSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736723740 600288321 /nfs/dbraw/zinc/28/83/21/600288321.db2.gz FAWJPJUXYNENRX-VIFPVBQESA-N -1 0 322.748 3.856 20 0 DHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000738350131 600320446 /nfs/dbraw/zinc/32/04/46/600320446.db2.gz BEWULUFVSLMESF-ZDUSSCGKSA-N -1 0 308.717 3.533 20 0 DHADRM O=C([O-])[C@H](OC(=O)CC1CCCCC1)c1cccc(Cl)c1 ZINC000739218769 600320463 /nfs/dbraw/zinc/32/04/63/600320463.db2.gz MDJUAYPRFZDPQP-OAHLLOKOSA-N -1 0 310.777 3.979 20 0 DHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1c(F)cccc1F ZINC000736671104 600327820 /nfs/dbraw/zinc/32/78/20/600327820.db2.gz KBTSUOPPHYHEEQ-JTQLQIEISA-N -1 0 306.312 3.906 20 0 DHADRM CC(C)c1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000405419363 600334327 /nfs/dbraw/zinc/33/43/27/600334327.db2.gz ZWGPRXQYZBUMNQ-OAHLLOKOSA-N -1 0 316.401 3.529 20 0 DHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000738182112 600337207 /nfs/dbraw/zinc/33/72/07/600337207.db2.gz QBUBQHNEXFXVGB-OLZOCXBDSA-N -1 0 323.418 3.572 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000322708255 600338818 /nfs/dbraw/zinc/33/88/18/600338818.db2.gz NSZAUGLHKUKKBT-CQSZACIVSA-N -1 0 318.417 3.748 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736941970 600352631 /nfs/dbraw/zinc/35/26/31/600352631.db2.gz PSRPUKHYSJJLMV-UKRRQHHQSA-N -1 0 319.405 3.545 20 0 DHADRM CCOc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1C ZINC000737185251 600368370 /nfs/dbraw/zinc/36/83/70/600368370.db2.gz GYTKTGJPIASIFI-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000737000796 600368505 /nfs/dbraw/zinc/36/85/05/600368505.db2.gz AOOQAMBFLIWADR-SECBINFHSA-N -1 0 301.433 3.615 20 0 DHADRM C/C(=C/C(=O)OCc1cc(C)c(C(=O)[O-])o1)c1cccc(F)c1 ZINC000736121484 600369255 /nfs/dbraw/zinc/36/92/55/600369255.db2.gz SBNIURCXNBACLN-YFHOEESVSA-N -1 0 318.300 3.572 20 0 DHADRM Cc1cc(NC(=O)CCc2ccccc2C)sc1C(=O)[O-] ZINC000051966975 600369474 /nfs/dbraw/zinc/36/94/74/600369474.db2.gz LIYZCGMJQLXONX-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM O=C([O-])c1ccc(COC(=O)CC/C=C\c2ccccc2)o1 ZINC000739234598 600375273 /nfs/dbraw/zinc/37/52/73/600375273.db2.gz HRIGYKGQLDRSQF-YWEYNIOJSA-N -1 0 300.310 3.515 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)CC/C=C/c1ccccc1 ZINC000739236351 600376386 /nfs/dbraw/zinc/37/63/86/600376386.db2.gz TYPYCQWECZOJAE-XBXARRHUSA-N -1 0 301.367 3.878 20 0 DHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)C1CCCCC1 ZINC000316579009 600378508 /nfs/dbraw/zinc/37/85/08/600378508.db2.gz DZTHEASCYLYUQO-UHFFFAOYSA-N -1 0 308.353 3.710 20 0 DHADRM O=C([O-])c1ccc(OC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000739214464 600379905 /nfs/dbraw/zinc/37/99/05/600379905.db2.gz DYYWMNWSFJRXBR-YFHOEESVSA-N -1 0 319.316 3.552 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000736850982 600380061 /nfs/dbraw/zinc/38/00/61/600380061.db2.gz ZNVDREZXUHQGQG-XVJNWHFHSA-N -1 0 315.394 3.658 20 0 DHADRM CN(C(=O)CC/C=C/c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737318834 600380091 /nfs/dbraw/zinc/38/00/91/600380091.db2.gz VGNJLWJXBWXQGS-BEBFYNPSSA-N -1 0 323.392 3.764 20 0 DHADRM Cc1c(NC(=O)NC[C@H]2CCc3ccccc32)cccc1C(=O)[O-] ZINC000738304682 600380305 /nfs/dbraw/zinc/38/03/05/600380305.db2.gz RVWRJYPHGOWYIO-CQSZACIVSA-N -1 0 324.380 3.545 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3cc(F)ccc3o2)s1 ZINC000739468781 600380825 /nfs/dbraw/zinc/38/08/25/600380825.db2.gz RTYKZEGKAVOZHR-UHFFFAOYSA-N -1 0 305.286 3.584 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000739486040 600383672 /nfs/dbraw/zinc/38/36/72/600383672.db2.gz TXLFOIPOWPVTRN-UHFFFAOYSA-N -1 0 317.247 3.662 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)CSCCC(C)C)c1ccccc1 ZINC000736854056 600385991 /nfs/dbraw/zinc/38/59/91/600385991.db2.gz XAIRJNLBNXEYQH-HNNXBMFYSA-N -1 0 323.458 3.662 20 0 DHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736473705 600388298 /nfs/dbraw/zinc/38/82/98/600388298.db2.gz DLZLXFBVWDRWES-UHFFFAOYSA-N -1 0 320.320 3.559 20 0 DHADRM CC/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236903341 600391162 /nfs/dbraw/zinc/39/11/62/600391162.db2.gz MKGGRTHPYPGDQR-DJXGBFBFSA-N -1 0 317.429 3.972 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000738668628 600393445 /nfs/dbraw/zinc/39/34/45/600393445.db2.gz DVUQAKGYFXPSRL-UHFFFAOYSA-N -1 0 315.256 3.881 20 0 DHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000316284136 600394566 /nfs/dbraw/zinc/39/45/66/600394566.db2.gz SUOYYLMUTBVIRN-JQWIXIFHSA-N -1 0 308.353 3.566 20 0 DHADRM O=C([O-])Nc1ccc(OCc2ccccc2OC(F)F)cc1 ZINC000738670070 600398240 /nfs/dbraw/zinc/39/82/40/600398240.db2.gz YMFNSFFYSQLWIR-UHFFFAOYSA-N -1 0 309.268 3.957 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000390880839 600403114 /nfs/dbraw/zinc/40/31/14/600403114.db2.gz JKRXOGBFCQQNEV-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000736563797 600404991 /nfs/dbraw/zinc/40/49/91/600404991.db2.gz URPJRNDVPOSLMT-CYBMUJFWSA-N -1 0 315.413 3.880 20 0 DHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736251906 600409907 /nfs/dbraw/zinc/40/99/07/600409907.db2.gz VROVDNXQGVZCGW-VOTSOKGWSA-N -1 0 313.300 3.527 20 0 DHADRM C/C(=C\C(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1Cl ZINC000736120088 600417511 /nfs/dbraw/zinc/41/75/11/600417511.db2.gz FIZYGGSUOHDTQL-ZHACJKMWSA-N -1 0 309.793 3.503 20 0 DHADRM C[C@H](Cc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736625895 600425135 /nfs/dbraw/zinc/42/51/35/600425135.db2.gz JMSTXBQQZFEFDY-LLVKDONJSA-N -1 0 318.756 3.822 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000681680956 600425325 /nfs/dbraw/zinc/42/53/25/600425325.db2.gz BFXDIQHZGKZGLN-CYBMUJFWSA-N -1 0 309.365 3.519 20 0 DHADRM Cc1c(NC(=O)C[C@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000675967119 600426137 /nfs/dbraw/zinc/42/61/37/600426137.db2.gz XRAJGYIEQGERTI-AWEZNQCLSA-N -1 0 323.392 3.827 20 0 DHADRM CC(C)Oc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000736494995 600426177 /nfs/dbraw/zinc/42/61/77/600426177.db2.gz SFTJIPMBOZDQON-HNNXBMFYSA-N -1 0 320.776 3.760 20 0 DHADRM CC(C)Sc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736498963 600426826 /nfs/dbraw/zinc/42/68/26/600426826.db2.gz RRFNWOXJIWJNEK-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CCOc1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737213639 600427007 /nfs/dbraw/zinc/42/70/07/600427007.db2.gz WHCVOMPEZMAZTM-HNNXBMFYSA-N -1 0 305.761 3.977 20 0 DHADRM O=C([O-])c1ccnc(NC(=O)CCCCCc2cccs2)c1 ZINC000659767476 600428671 /nfs/dbraw/zinc/42/86/71/600428671.db2.gz LSLVJSLOLVTIDW-UHFFFAOYSA-N -1 0 318.398 3.583 20 0 DHADRM O=C([O-])[C@@H](Nc1cccc(COCC2CC2)c1)c1ccccc1 ZINC000738526866 600429929 /nfs/dbraw/zinc/42/99/29/600429929.db2.gz XCRUSGJMULLYIN-SFHVURJKSA-N -1 0 311.381 3.851 20 0 DHADRM O=C([O-])c1c(F)cccc1NCc1cc(-c2ccccc2)no1 ZINC000740065839 600436065 /nfs/dbraw/zinc/43/60/65/600436065.db2.gz GLVPJJCDDZPNNM-UHFFFAOYSA-N -1 0 312.300 3.791 20 0 DHADRM O=C([O-])c1sc(N2CCC[C@]3(CC=CCC3)C2)nc1Cl ZINC000740278124 600436375 /nfs/dbraw/zinc/43/63/75/600436375.db2.gz FGHGSZNGBYCSKA-CQSZACIVSA-N -1 0 312.822 3.821 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000740228563 600451646 /nfs/dbraw/zinc/45/16/46/600451646.db2.gz QNWZKFSBBWGUSY-GOSISDBHSA-N -1 0 314.385 3.739 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736778388 600453830 /nfs/dbraw/zinc/45/38/30/600453830.db2.gz FWTFBOWQAMCSGZ-AXAPSJFSSA-N -1 0 308.349 3.711 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736563809 600456289 /nfs/dbraw/zinc/45/62/89/600456289.db2.gz UTXGCSJDZYTSNF-IAQYHMDHSA-N -1 0 308.349 3.711 20 0 DHADRM Cc1cc(COC(=O)c2cc3cc(F)ccc3o2)oc1C(=O)[O-] ZINC000738392414 600457611 /nfs/dbraw/zinc/45/76/11/600457611.db2.gz MIRGEFDDFZSQHE-UHFFFAOYSA-N -1 0 318.256 3.529 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736905028 600459428 /nfs/dbraw/zinc/45/94/28/600459428.db2.gz OUFVIMZICJNREK-HNNXBMFYSA-N -1 0 304.386 3.826 20 0 DHADRM CC(C)c1ccc(NC(=S)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736515494 600466892 /nfs/dbraw/zinc/46/68/92/600466892.db2.gz MVNNZTGGCHBTOB-UHFFFAOYSA-N -1 0 318.398 3.588 20 0 DHADRM Cc1c(NC(=O)[C@H]2CSc3ccccc32)cccc1C(=O)[O-] ZINC000316376550 600475106 /nfs/dbraw/zinc/47/51/06/600475106.db2.gz MGCYZOOQWYZPMH-ZDUSSCGKSA-N -1 0 313.378 3.521 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736903821 600477403 /nfs/dbraw/zinc/47/74/03/600477403.db2.gz MURYDGNWZNRDHQ-HNNXBMFYSA-N -1 0 311.381 3.617 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736879963 600478275 /nfs/dbraw/zinc/47/82/75/600478275.db2.gz JLPIPPUNGIDYRB-XHDPSFHLSA-N -1 0 322.380 3.956 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1Cl ZINC000238119546 600481106 /nfs/dbraw/zinc/48/11/06/600481106.db2.gz WLDCMXYIXMBQOS-QPJJXVBHSA-N -1 0 319.719 3.829 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000048807279 600487127 /nfs/dbraw/zinc/48/71/27/600487127.db2.gz XJWSTVFJIHLBGA-UHFFFAOYSA-N -1 0 307.733 3.809 20 0 DHADRM Cc1ccc([C@H](CNc2nc3cc(C)ccc3o2)C(=O)[O-])cc1 ZINC000738567588 600502874 /nfs/dbraw/zinc/50/28/74/600502874.db2.gz GXJQCELTBNPHNE-AWEZNQCLSA-N -1 0 310.353 3.725 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CC1 ZINC000738759394 600504151 /nfs/dbraw/zinc/50/41/51/600504151.db2.gz XITVULKRVVUQBR-KRWDZBQOSA-N -1 0 324.380 3.966 20 0 DHADRM O=C([O-])c1ccc(CNCc2c(Cl)cccc2Cl)o1 ZINC000696894582 600524602 /nfs/dbraw/zinc/52/46/02/600524602.db2.gz TVYANSLJBAAVQP-UHFFFAOYSA-N -1 0 300.141 3.574 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000387122198 600514542 /nfs/dbraw/zinc/51/45/42/600514542.db2.gz HSPDQZFLERMUKH-SNVBAGLBSA-N -1 0 318.760 3.921 20 0 DHADRM C[C@@H](c1ccsc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736726685 600516006 /nfs/dbraw/zinc/51/60/06/600516006.db2.gz WNTCOKGGKHZSSJ-VIFPVBQESA-N -1 0 300.339 3.648 20 0 DHADRM C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736671051 600522618 /nfs/dbraw/zinc/52/26/18/600522618.db2.gz JEABGIATUXDLEU-JTQLQIEISA-N -1 0 307.296 3.601 20 0 DHADRM CCN(C(=O)c1ccc(Cl)cc1F)c1ccccc1C(=O)[O-] ZINC000737059098 600524423 /nfs/dbraw/zinc/52/44/23/600524423.db2.gz HRUILBSSKHVDNC-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737001059 600528027 /nfs/dbraw/zinc/52/80/27/600528027.db2.gz JKMLWZXBCMLYMU-UHFFFAOYSA-N -1 0 324.446 3.658 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000316183544 600540265 /nfs/dbraw/zinc/54/02/65/600540265.db2.gz KOZYGOOZOPOPKT-ZDUSSCGKSA-N -1 0 304.390 3.675 20 0 DHADRM O=C([O-])c1coc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740270869 600542154 /nfs/dbraw/zinc/54/21/54/600542154.db2.gz YNDPTJQHKCTRIE-OAHLLOKOSA-N -1 0 307.296 3.593 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000736355653 600551051 /nfs/dbraw/zinc/55/10/51/600551051.db2.gz RJHMWTNGABEEJZ-JTQLQIEISA-N -1 0 318.398 3.739 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432285 600553528 /nfs/dbraw/zinc/55/35/28/600553528.db2.gz HTIFKNUTLNRCRF-MRVPVSSYSA-N -1 0 303.280 3.634 20 0 DHADRM CCCCCc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000263450535 600555220 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CC(C)(C(=O)Nc1cccc(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000736230596 600584729 /nfs/dbraw/zinc/58/47/29/600584729.db2.gz LMUYNKXPMFYBNT-UHFFFAOYSA-N -1 0 316.332 3.832 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cc3occc3s2)c(F)cc1F ZINC000739459177 600584746 /nfs/dbraw/zinc/58/47/46/600584746.db2.gz OERTVRHVESGKLN-UHFFFAOYSA-N -1 0 323.276 3.723 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1nc2ccccc2n1C(F)F ZINC000736558206 600586736 /nfs/dbraw/zinc/58/67/36/600586736.db2.gz ZUQBPIKROTUQBW-MRVPVSSYSA-N -1 0 300.330 3.528 20 0 DHADRM Cc1cc(NC(=O)c2cc3occc3s2)ccc1C(=O)[O-] ZINC000677745431 600586756 /nfs/dbraw/zinc/58/67/56/600586756.db2.gz PBZPIXRMCHEYGU-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-] ZINC000738230189 600587356 /nfs/dbraw/zinc/58/73/56/600587356.db2.gz PWCPGFISGWYPJC-ZJUUUORDSA-N -1 0 315.822 3.572 20 0 DHADRM CCn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c2ccccc21 ZINC000195192558 600587757 /nfs/dbraw/zinc/58/77/57/600587757.db2.gz SKBQYOLISHSHIT-UHFFFAOYSA-N -1 0 322.364 3.920 20 0 DHADRM Cc1cc2oc(=O)cc(CS[C@@H](C)CC(=O)[O-])c2cc1C ZINC000738248691 600591343 /nfs/dbraw/zinc/59/13/43/600591343.db2.gz JHJFHVIJLHXFTB-NSHDSACASA-N -1 0 306.383 3.506 20 0 DHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1c(Cl)cccc1Cl ZINC000090097282 600592654 /nfs/dbraw/zinc/59/26/54/600592654.db2.gz AJNSZDHXCVZBOY-SSDOTTSWSA-N -1 0 322.213 3.528 20 0 DHADRM Cc1cccc2cc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)oc21 ZINC000738749161 600592027 /nfs/dbraw/zinc/59/20/27/600592027.db2.gz FWDGAUKNBPUJPE-MRXNPFEDSA-N -1 0 323.348 3.639 20 0 DHADRM CCCCc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000320151590 600603268 /nfs/dbraw/zinc/60/32/68/600603268.db2.gz JQMOFCDOOFKSBB-UHFFFAOYSA-N -1 0 311.381 3.761 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)SC[C@H](C)C(=O)[O-] ZINC000736891304 600604644 /nfs/dbraw/zinc/60/46/44/600604644.db2.gz MPVAGCSIDILKGY-AVGNSLFASA-N -1 0 323.458 3.981 20 0 DHADRM Cc1ccc(-c2nnc([C@H](C)SC[C@@H](C)C(=O)[O-])o2)cc1 ZINC000738491404 600605815 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Cc1c(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC000387408622 600624451 /nfs/dbraw/zinc/62/44/51/600624451.db2.gz KRSKOCQVXCADDU-QWRGUYRKSA-N -1 0 304.390 3.639 20 0 DHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@@H](C)C1 ZINC000736748886 600625396 /nfs/dbraw/zinc/62/53/96/600625396.db2.gz FPAVZFXGJKUWHF-IMRBUKKESA-N -1 0 319.405 3.747 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736759093 600641492 /nfs/dbraw/zinc/64/14/92/600641492.db2.gz HDJJELGHAYHZLJ-UKRRQHHQSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000828240233 600655431 /nfs/dbraw/zinc/65/54/31/600655431.db2.gz TZYSMWMMTBRPKD-WQGACYEGSA-N -1 0 308.349 3.711 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccccc1OC(F)F ZINC000315550261 600674640 /nfs/dbraw/zinc/67/46/40/600674640.db2.gz WZNMUPKOCBNGDA-UHFFFAOYSA-N -1 0 307.296 3.907 20 0 DHADRM O=C([O-])c1ccc(NCc2ccc(Br)s2)cc1 ZINC000036890512 600674842 /nfs/dbraw/zinc/67/48/42/600674842.db2.gz OWGFXJXHVGPRTO-UHFFFAOYSA-N -1 0 312.188 3.821 20 0 DHADRM O=C([O-])c1cccc(NCc2ccc(F)c(Br)c2)c1 ZINC000037307988 600675729 /nfs/dbraw/zinc/67/57/29/600675729.db2.gz YYMFSNYAXXZNPM-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM CCCCc1nc(CNc2ccc(C(C)C)cc2C(=O)[O-])no1 ZINC000737002808 600676352 /nfs/dbraw/zinc/67/63/52/600676352.db2.gz AXOLKCWBPPJDGI-UHFFFAOYSA-N -1 0 317.389 3.846 20 0 DHADRM O=C([O-])c1cc(NCCOc2cccc(F)c2)ccc1Cl ZINC000740089076 600676509 /nfs/dbraw/zinc/67/65/09/600676509.db2.gz PVYVKIYDTRLFAA-UHFFFAOYSA-N -1 0 309.724 3.668 20 0 DHADRM COc1ccc(NCc2ccc(OC(F)F)cc2)c(C(=O)[O-])c1 ZINC000738039834 600676903 /nfs/dbraw/zinc/67/69/03/600676903.db2.gz PQLGWMHRBJBPND-UHFFFAOYSA-N -1 0 323.295 3.607 20 0 DHADRM CC/C(=C\C(=O)OCc1ccoc1C(=O)[O-])c1ccc(C)cc1 ZINC000828549811 600685375 /nfs/dbraw/zinc/68/53/75/600685375.db2.gz RBNQCHPBLYRVOF-JLHYYAGUSA-N -1 0 314.337 3.823 20 0 DHADRM O=C([O-])c1cccc(-c2noc(CCCc3cccs3)n2)c1 ZINC000314592448 600693720 /nfs/dbraw/zinc/69/37/20/600693720.db2.gz BHKSQOQIWPUALK-UHFFFAOYSA-N -1 0 314.366 3.672 20 0 DHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000833169270 600696690 /nfs/dbraw/zinc/69/66/90/600696690.db2.gz JGSPXCNLQKHKQU-BZUAXINKSA-N -1 0 320.360 3.711 20 0 DHADRM C[C@H](c1cccs1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827956684 600701372 /nfs/dbraw/zinc/70/13/72/600701372.db2.gz IVFMOEBTTYAOOR-SECBINFHSA-N -1 0 300.339 3.648 20 0 DHADRM Cc1cc(COC(=O)[C@@H](C)c2cccc(Cl)c2)oc1C(=O)[O-] ZINC000832884952 600701524 /nfs/dbraw/zinc/70/15/24/600701524.db2.gz HKCHWWKXPCIAAB-JTQLQIEISA-N -1 0 322.744 3.787 20 0 DHADRM Cc1cc(C)cc(CCNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000738364443 600709410 /nfs/dbraw/zinc/70/94/10/600709410.db2.gz VZCSAYMLIWWQBC-UHFFFAOYSA-N -1 0 310.806 3.766 20 0 DHADRM Cc1[nH]c(C(=O)COc2ccc(C)cc2Cl)c(C)c1C(=O)[O-] ZINC000738293464 600709724 /nfs/dbraw/zinc/70/97/24/600709724.db2.gz JLSZZPIVDRGOLF-UHFFFAOYSA-N -1 0 321.760 3.553 20 0 DHADRM O=C([O-])[C@H](OC(=O)CC1CCC1)c1ccc(Cl)cc1Cl ZINC000833093965 600721150 /nfs/dbraw/zinc/72/11/50/600721150.db2.gz NNAGQGCYFFRKHA-CYBMUJFWSA-N -1 0 317.168 3.853 20 0 DHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000827860643 600727615 /nfs/dbraw/zinc/72/76/15/600727615.db2.gz DLBCMIIEWPFOOV-VIFPVBQESA-N -1 0 319.288 3.539 20 0 DHADRM CC[C@@H](c1nnc(SC/C=C(\C)C(=O)[O-])o1)c1ccccc1 ZINC000829033364 600728889 /nfs/dbraw/zinc/72/88/89/600728889.db2.gz LTONBIDHFHIOCG-YGNAEDSMSA-N -1 0 318.398 3.735 20 0 DHADRM Cc1nc2cc(N[C@H](C(=O)[O-])c3ccccc3F)ccc2o1 ZINC000833004360 600733591 /nfs/dbraw/zinc/73/35/91/600733591.db2.gz OVZQZQJBXLSVJR-HNNXBMFYSA-N -1 0 300.289 3.513 20 0 DHADRM CC(C)Oc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827058514 600739040 /nfs/dbraw/zinc/73/90/40/600739040.db2.gz HVVPTSBLKIJREP-INIZCTEOSA-N -1 0 303.333 3.851 20 0 DHADRM C[C@@H](Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)[O-] ZINC000737696186 600740367 /nfs/dbraw/zinc/74/03/67/600740367.db2.gz UGULKXNWJNGZDY-LLVKDONJSA-N -1 0 305.761 3.804 20 0 DHADRM CO[C@H](C)c1cccc(N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831492881 600746893 /nfs/dbraw/zinc/74/68/93/600746893.db2.gz FVEAWZVGQNVKNC-BDJLRTHQSA-N -1 0 303.333 3.771 20 0 DHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736941347 600747430 /nfs/dbraw/zinc/74/74/30/600747430.db2.gz QJXFWVVBBLCHMF-WFASDCNBSA-N -1 0 319.405 3.545 20 0 DHADRM O=C([O-])c1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1 ZINC000322182504 600790396 /nfs/dbraw/zinc/79/03/96/600790396.db2.gz NXIBYZZWXXMUPQ-SFHVURJKSA-N -1 0 307.349 3.857 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CC1=CCCCC1)c1cccc(Cl)c1 ZINC000776678386 600803001 /nfs/dbraw/zinc/80/30/01/600803001.db2.gz QHGGNXHRJJULEZ-HNNXBMFYSA-N -1 0 321.804 3.863 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000829207740 600807172 /nfs/dbraw/zinc/80/71/72/600807172.db2.gz DMIRMOPQCYSADR-KOTGUFOOSA-N -1 0 309.793 3.718 20 0 DHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738688917 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ZINC000237654264 601244352 /nfs/dbraw/zinc/24/43/52/601244352.db2.gz OFVALPOTJYPSBX-CZUORRHYSA-N -1 0 305.418 3.781 20 0 DHADRM O=C([O-])c1cc(NCc2cc3c(c(Cl)c2)OCO3)ccc1F ZINC000315539571 601246633 /nfs/dbraw/zinc/24/66/33/601246633.db2.gz LVDAFHOVSXEYQJ-UHFFFAOYSA-N -1 0 323.707 3.518 20 0 DHADRM CN(C(=O)[O-])c1ccc(Nc2ccnc(C(C)(C)C)n2)cc1 ZINC000830519797 601250301 /nfs/dbraw/zinc/25/03/01/601250301.db2.gz WAODBMKPBMQPMX-UHFFFAOYSA-N -1 0 300.362 3.632 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000833286582 601280190 /nfs/dbraw/zinc/28/01/90/601280190.db2.gz UTKLANGEZSPTFI-DUXPYHPUSA-N -1 0 314.316 3.958 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000833286584 601280242 /nfs/dbraw/zinc/28/02/42/601280242.db2.gz UTKLANGEZSPTFI-RQOWECAXSA-N -1 0 314.316 3.958 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000833288126 601280243 /nfs/dbraw/zinc/28/02/43/601280243.db2.gz JBNPSYGZEWMUQS-DJWKRKHSSA-N -1 0 314.316 3.958 20 0 DHADRM 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CCCCC[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)C ZINC000829305079 601684078 /nfs/dbraw/zinc/68/40/78/601684078.db2.gz PFSRRIGRWJPDRY-LSDHHAIUSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)c1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000317053597 601685031 /nfs/dbraw/zinc/68/50/31/601685031.db2.gz XFKSRXLEYLBFCX-UHFFFAOYSA-N -1 0 304.390 3.577 20 0 DHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000827860628 601685917 /nfs/dbraw/zinc/68/59/17/601685917.db2.gz DHHDNLKGFVCKEO-SECBINFHSA-N -1 0 321.279 3.973 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1ccc(Cl)cc1 ZINC000833031330 601704151 /nfs/dbraw/zinc/70/41/51/601704151.db2.gz IZHBOWPIMCDVNQ-UHFFFAOYSA-N -1 0 324.785 3.694 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C\c1cccs1 ZINC000833031445 601704159 /nfs/dbraw/zinc/70/41/59/601704159.db2.gz LEFXUODKJXMBLD-PLNGDYQASA-N -1 0 308.380 3.573 20 0 DHADRM Cc1ccc(CCCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)s1 ZINC000832930964 601753940 /nfs/dbraw/zinc/75/39/40/601753940.db2.gz 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CCc1[nH]c(C(=O)N2CCCC[C@H]2CC(C)C)c(C)c1C(=O)[O-] ZINC000830184192 601943299 /nfs/dbraw/zinc/94/32/99/601943299.db2.gz WDNDZVHQAIQCDT-ZDUSSCGKSA-N -1 0 320.433 3.625 20 0 DHADRM Cc1csc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)n1 ZINC000832989041 601947692 /nfs/dbraw/zinc/94/76/92/601947692.db2.gz DZZALTXZQVTYPU-NSHDSACASA-N -1 0 308.428 3.548 20 0 DHADRM Cc1ccc(NC(=S)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC000738291188 601953117 /nfs/dbraw/zinc/95/31/17/601953117.db2.gz ARZQIKBPGXHLKK-UHFFFAOYSA-N -1 0 314.410 3.739 20 0 DHADRM C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000828527017 601957438 /nfs/dbraw/zinc/95/74/38/601957438.db2.gz GTLXXVZTZXKAKA-SNVBAGLBSA-N -1 0 305.374 3.705 20 0 DHADRM O=C([O-])c1cc(NCc2ccn(C3CCCC3)n2)ccc1Cl ZINC000833300477 601961601 /nfs/dbraw/zinc/96/16/01/601961601.db2.gz OMTRQMPGTXPVFG-UHFFFAOYSA-N -1 0 319.792 3.962 20 0 DHADRM O=C([O-])N[C@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000740692711 601961690 /nfs/dbraw/zinc/96/16/90/601961690.db2.gz 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/nfs/dbraw/zinc/01/00/35/602010035.db2.gz YLHNUHWANUKRKL-GFCCVEGCSA-N -1 0 316.378 3.610 20 0 DHADRM CC(C)c1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000320415472 602024670 /nfs/dbraw/zinc/02/46/70/602024670.db2.gz YISWLEKAILYVPH-UHFFFAOYSA-N -1 0 312.369 3.830 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000829254343 602031565 /nfs/dbraw/zinc/03/15/65/602031565.db2.gz BYYZMKFORGUSQK-ZDUSSCGKSA-N -1 0 304.390 3.737 20 0 DHADRM O=C([O-])CN(C/C(Cl)=C\Cl)Cc1ccc(Cl)cc1 ZINC000833247370 602036703 /nfs/dbraw/zinc/03/67/03/602036703.db2.gz HNIDZQVDVAAJRG-VZUCSPMQSA-N -1 0 308.592 3.546 20 0 DHADRM CC[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000263170612 602067345 /nfs/dbraw/zinc/06/73/45/602067345.db2.gz RIHVUAOCDLBEBW-OAHLLOKOSA-N -1 0 311.381 3.836 20 0 DHADRM CCCCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000322043796 602070371 /nfs/dbraw/zinc/07/03/71/602070371.db2.gz OMHSSGYCXQQFGG-UHFFFAOYSA-N -1 0 311.381 3.909 20 0 DHADRM CCC[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000263155692 602070756 /nfs/dbraw/zinc/07/07/56/602070756.db2.gz NCPNBMVAKIMEPN-KRWDZBQOSA-N -1 0 311.381 3.836 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000199710849 602071086 /nfs/dbraw/zinc/07/10/86/602071086.db2.gz IWAIWKYRCWYLCM-UHFFFAOYSA-N -1 0 305.333 3.719 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000316392173 602084241 /nfs/dbraw/zinc/08/42/41/602084241.db2.gz WMVANPSPBATEIH-UHFFFAOYSA-N -1 0 318.760 3.920 20 0 DHADRM CSc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000316286572 602084384 /nfs/dbraw/zinc/08/43/84/602084384.db2.gz KWWLAAFQJXFCOR-UHFFFAOYSA-N -1 0 316.382 3.680 20 0 DHADRM CCCc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000321002817 602086684 /nfs/dbraw/zinc/08/66/84/602086684.db2.gz NGDXKOVJOKIRCT-UHFFFAOYSA-N -1 0 312.369 3.910 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(Cl)c2F)c1 ZINC000316584199 602086968 /nfs/dbraw/zinc/08/69/68/602086968.db2.gz SLVQIODWEDARKT-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM C/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000828534677 602088687 /nfs/dbraw/zinc/08/86/87/602088687.db2.gz ONVSIIJKMDKPGQ-UFVHFEBBSA-N -1 0 303.141 3.629 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)Nc1cc(F)cc(F)c1 ZINC000402982723 602094224 /nfs/dbraw/zinc/09/42/24/602094224.db2.gz GQHDGVYACCWONW-UHFFFAOYSA-N -1 0 314.332 3.512 20 0 DHADRM Cc1sc(NC(=O)c2cccc(C)c2F)c(C(=O)[O-])c1C ZINC000131555559 602098122 /nfs/dbraw/zinc/09/81/22/602098122.db2.gz MOJJFFYOLFLQJA-UHFFFAOYSA-N -1 0 307.346 3.763 20 0 DHADRM Cc1sc(/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1C=O ZINC000794704485 602098803 /nfs/dbraw/zinc/09/88/03/602098803.db2.gz ZNXXUTBIKBUPID-UIJKISKDSA-N -1 0 316.378 3.891 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829010001 602101019 /nfs/dbraw/zinc/10/10/19/602101019.db2.gz YINIQBWUZMHOMZ-LBPRGKRZSA-N -1 0 311.403 3.513 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000827270501 602101397 /nfs/dbraw/zinc/10/13/97/602101397.db2.gz BDDMZKGSCVLVTK-RISCZKNCSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000827391878 602104332 /nfs/dbraw/zinc/10/43/32/602104332.db2.gz MOCKVQKGLCLGKP-GFCCVEGCSA-N -1 0 308.337 3.982 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000827391879 602104578 /nfs/dbraw/zinc/10/45/78/602104578.db2.gz MOCKVQKGLCLGKP-LBPRGKRZSA-N -1 0 308.337 3.982 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009336 602104689 /nfs/dbraw/zinc/10/46/89/602104689.db2.gz BRTGBCXUJYJERS-NSHDSACASA-N -1 0 311.403 3.513 20 0 DHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000828574235 602120225 /nfs/dbraw/zinc/12/02/25/602120225.db2.gz MDENGZPFQHUWMW-UHFFFAOYSA-N -1 0 311.337 3.538 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000827257734 602120275 /nfs/dbraw/zinc/12/02/75/602120275.db2.gz RHPZKRMYROLQIY-DYVFJYSZSA-N -1 0 311.381 3.614 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000827257735 602120358 /nfs/dbraw/zinc/12/03/58/602120358.db2.gz RHPZKRMYROLQIY-GUYCJALGSA-N -1 0 311.381 3.614 20 0 DHADRM CCC(CC)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000828810823 602121695 /nfs/dbraw/zinc/12/16/95/602121695.db2.gz SPWYUHNDDOCEHB-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM Cc1ccc2nc(CNc3ccc(C(C)(C)C(=O)[O-])cc3)cn2c1 ZINC000832960237 602128764 /nfs/dbraw/zinc/12/87/64/602128764.db2.gz NGTGBHNQWAQLCS-UHFFFAOYSA-N -1 0 323.396 3.617 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1F ZINC000832963170 602138329 /nfs/dbraw/zinc/13/83/29/602138329.db2.gz MIELEEKLMPZSOA-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc2sccc2c1 ZINC000386218903 602138904 /nfs/dbraw/zinc/13/89/04/602138904.db2.gz JIQGSTJXLSQCLE-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829009479 602139077 /nfs/dbraw/zinc/13/90/77/602139077.db2.gz DPJLXOFZOBISLH-CQSZACIVSA-N -1 0 323.364 3.590 20 0 DHADRM CCc1oc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1C ZINC000830355415 602144539 /nfs/dbraw/zinc/14/45/39/602144539.db2.gz KZUVSPXHXTYNJT-AWEZNQCLSA-N -1 0 315.369 3.660 20 0 DHADRM Cc1cc(OCc2ccc(C(=O)[O-])o2)ccc1Br ZINC000011891026 602159818 /nfs/dbraw/zinc/15/98/18/602159818.db2.gz HRXMGDVMAAJRTP-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM CCC(=O)c1ccc(OCc2cc(C)c(C(=O)[O-])o2)c(F)c1 ZINC000828580209 602160175 /nfs/dbraw/zinc/16/01/75/602160175.db2.gz CKXMSTCEMKJSOE-UHFFFAOYSA-N -1 0 306.289 3.597 20 0 DHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736907385 602168454 /nfs/dbraw/zinc/16/84/54/602168454.db2.gz QWVCRUKAFHEJAH-HNNXBMFYSA-N -1 0 312.369 3.528 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc2ncccc2c1 ZINC000740715702 602173177 /nfs/dbraw/zinc/17/31/77/602173177.db2.gz NIPNXAKDYCMYNB-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM CC(C)Cc1nc(C(=O)Nc2ccccc2NC(=O)[O-])cs1 ZINC000738836725 602173892 /nfs/dbraw/zinc/17/38/92/602173892.db2.gz QSCYZXAVKYVBSK-UHFFFAOYSA-N -1 0 319.386 3.684 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)C(F)(F)c1ccccc1 ZINC000740713881 602175661 /nfs/dbraw/zinc/17/56/61/602175661.db2.gz DBBUYWVYIQMNAW-UHFFFAOYSA-N -1 0 306.268 3.507 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(F)cc1Cl ZINC000740715718 602178921 /nfs/dbraw/zinc/17/89/21/602178921.db2.gz NPANIBOLGSQAPE-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM Cc1ccccc1[C@@H](C)SCc1noc(CCCC(=O)[O-])n1 ZINC000832977151 602179393 /nfs/dbraw/zinc/17/93/93/602179393.db2.gz NZTGTJQSAFZFLH-GFCCVEGCSA-N -1 0 320.414 3.780 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191372808 602181729 /nfs/dbraw/zinc/18/17/29/602181729.db2.gz GBMISBRNQHWHRO-UHFFFAOYSA-N -1 0 303.383 3.671 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738818718 602181768 /nfs/dbraw/zinc/18/17/68/602181768.db2.gz IMLZZYIOQOEXBS-SLTXQBBLSA-N -1 0 324.465 3.534 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000562402525 602181902 /nfs/dbraw/zinc/18/19/02/602181902.db2.gz GMRROUOXIADNDH-NSHDSACASA-N -1 0 303.383 3.969 20 0 DHADRM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191356770 602182305 /nfs/dbraw/zinc/18/23/05/602182305.db2.gz UWAMVWKEGHQZCE-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM C/C=C(/C=C/c1nc(COc2cccc(C(=O)[O-])c2)no1)CC ZINC000828542566 602182658 /nfs/dbraw/zinc/18/26/58/602182658.db2.gz MMCDHMILVIQKKL-FNAOXXECSA-N -1 0 314.341 3.716 20 0 DHADRM CC(C)c1cccc(OCC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191329743 602185182 /nfs/dbraw/zinc/18/51/82/602185182.db2.gz IVQAHJFNJKZWBA-UHFFFAOYSA-N -1 0 319.382 3.587 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1sc2ccccc2c1Cl ZINC000827349532 602186338 /nfs/dbraw/zinc/18/63/38/602186338.db2.gz QSKBIXJSCIRPAZ-QMMMGPOBSA-N -1 0 312.774 3.709 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191332664 602187742 /nfs/dbraw/zinc/18/77/42/602187742.db2.gz XPVPFJAXMOMHTK-RMKNXTFCSA-N -1 0 305.330 3.627 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000191341863 602188567 /nfs/dbraw/zinc/18/85/67/602188567.db2.gz XOHDZSDDXYXJOB-UHFFFAOYSA-N -1 0 307.346 3.502 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000571393035 602189042 /nfs/dbraw/zinc/18/90/42/602189042.db2.gz JDQPXHWZMXUVHW-VIFPVBQESA-N -1 0 307.346 3.718 20 0 DHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191359283 602189702 /nfs/dbraw/zinc/18/97/02/602189702.db2.gz IFPSISIXPSXCPO-GFCCVEGCSA-N -1 0 319.382 3.551 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000762141991 602189862 /nfs/dbraw/zinc/18/98/62/602189862.db2.gz NPFOQRFSSBSLHO-UITAMQMPSA-N -1 0 305.330 3.627 20 0 DHADRM CCCc1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739375098 602199001 /nfs/dbraw/zinc/19/90/01/602199001.db2.gz VZNCHHMSRWORBL-UHFFFAOYSA-N -1 0 312.369 3.659 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(F)ccc2Cl)c1 ZINC000740032481 602246856 /nfs/dbraw/zinc/24/68/56/602246856.db2.gz AHFANGYAFGVBBS-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM CC(C)C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000826818644 602267212 /nfs/dbraw/zinc/26/72/12/602267212.db2.gz CCXGGTSSCJAALO-INIZCTEOSA-N -1 0 313.353 3.724 20 0 DHADRM CCC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000739304276 602267902 /nfs/dbraw/zinc/26/79/02/602267902.db2.gz JHRIAXTUVDKSOY-UYSNPLJNSA-N -1 0 324.465 3.678 20 0 DHADRM CC(C)CC1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000826839857 602275917 /nfs/dbraw/zinc/27/59/17/602275917.db2.gz HLYXBADCKMOGNP-UHFFFAOYSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000683331298 602284408 /nfs/dbraw/zinc/28/44/08/602284408.db2.gz XCQJTVHVQWPDDT-UHFFFAOYSA-N -1 0 320.757 3.833 20 0 DHADRM Cc1nn(CCCc2ccccc2C)c(C)c1[C@@H](C)C(=O)[O-] ZINC000832980943 602288630 /nfs/dbraw/zinc/28/86/30/602288630.db2.gz QMOCHNPNJHKTNY-CYBMUJFWSA-N -1 0 300.402 3.629 20 0 DHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827427560 602289061 /nfs/dbraw/zinc/28/90/61/602289061.db2.gz KGUQBEFOKKGZMH-LLVKDONJSA-N -1 0 318.398 3.589 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830855563 602289618 /nfs/dbraw/zinc/28/96/18/602289618.db2.gz ASJGEZGGJVTMOG-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM Cc1cccc(C)c1NC(=S)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832965976 602301334 /nfs/dbraw/zinc/30/13/34/602301334.db2.gz VVBCKPIJZOSZCV-UHFFFAOYSA-N -1 0 318.373 3.950 20 0 DHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000831975710 602324344 /nfs/dbraw/zinc/32/43/44/602324344.db2.gz IGJBRKATSUJCQF-QJUZWUIZSA-N -1 0 318.369 3.525 20 0 DHADRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000740141282 602330378 /nfs/dbraw/zinc/33/03/78/602330378.db2.gz QRHTYQAXBIXBGC-CQSZACIVSA-N -1 0 318.760 3.596 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000828765228 602336651 /nfs/dbraw/zinc/33/66/51/602336651.db2.gz ZMVAZINCOJJUSC-SNVBAGLBSA-N -1 0 318.398 3.631 20 0 DHADRM CC(C)(C)CCCC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738697609 602338328 /nfs/dbraw/zinc/33/83/28/602338328.db2.gz XDHUACIRVRXMLQ-GJZGRUSLSA-N -1 0 324.465 3.584 20 0 DHADRM Cc1ccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)c(Cl)c1 ZINC000832928694 602341018 /nfs/dbraw/zinc/34/10/18/602341018.db2.gz HWWYNJDBTGBSPF-UHFFFAOYSA-N -1 0 319.744 3.886 20 0 DHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000739326770 602354178 /nfs/dbraw/zinc/35/41/78/602354178.db2.gz UOIREIKSZNQEGV-MRXNPFEDSA-N -1 0 312.369 3.728 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccccc3c2)cc1F ZINC000322823339 602360874 /nfs/dbraw/zinc/36/08/74/602360874.db2.gz GICRVIOFDNGUCF-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000767205396 602361382 /nfs/dbraw/zinc/36/13/82/602361382.db2.gz HLDMETAYLLTLPC-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000826832500 602370189 /nfs/dbraw/zinc/37/01/89/602370189.db2.gz ROFMBXZCDYSPGJ-CYBMUJFWSA-N -1 0 322.380 3.956 20 0 DHADRM CC1(C)CCC(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000389717519 602373055 /nfs/dbraw/zinc/37/30/55/602373055.db2.gz GLULJRKOSNTTES-UHFFFAOYSA-N -1 0 308.353 3.614 20 0 DHADRM CCC1(CC)CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000389447397 602375290 /nfs/dbraw/zinc/37/52/90/602375290.db2.gz PHRKKWJXHPNYOJ-UHFFFAOYSA-N -1 0 308.353 3.568 20 0 DHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828233179 602378278 /nfs/dbraw/zinc/37/82/78/602378278.db2.gz LNVSKZRZOSUZAR-WDEREUQCSA-N -1 0 308.353 3.566 20 0 DHADRM CC(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000776647343 602394637 /nfs/dbraw/zinc/39/46/37/602394637.db2.gz KCAJBVBDMJGHDF-INIZCTEOSA-N -1 0 315.344 3.902 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)NCCCNC(=O)[O-] ZINC000738876714 602408479 /nfs/dbraw/zinc/40/84/79/602408479.db2.gz OHAMAEDXWLTDPB-UHFFFAOYSA-N -1 0 321.421 3.713 20 0 DHADRM O=C([O-])NC1(c2noc(/C=C/c3ccc(Cl)cc3)n2)CCC1 ZINC000740549817 602416302 /nfs/dbraw/zinc/41/63/02/602416302.db2.gz HTDGUWUBOAHTAP-QPJJXVBHSA-N -1 0 319.748 3.540 20 0 DHADRM O=C([O-])Nc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1 ZINC000738666428 602430945 /nfs/dbraw/zinc/43/09/45/602430945.db2.gz GBFXHODAASIFPU-UHFFFAOYSA-N -1 0 322.777 3.634 20 0 DHADRM CC(=CC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736120431 602461875 /nfs/dbraw/zinc/46/18/75/602461875.db2.gz IFQHWBLTKQWIAS-PKNBQFBNSA-N -1 0 314.316 3.958 20 0 DHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1C ZINC000739380059 602483211 /nfs/dbraw/zinc/48/32/11/602483211.db2.gz IYIYSGBTDOHKBU-UHFFFAOYSA-N -1 0 316.332 3.891 20 0 DHADRM Cc1cccc(N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000740168904 602485820 /nfs/dbraw/zinc/48/58/20/602485820.db2.gz ITODVGKCSQCVJU-UHFFFAOYSA-N -1 0 316.332 3.809 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000740116940 602488814 /nfs/dbraw/zinc/48/88/14/602488814.db2.gz PHERDGYULHPOQZ-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740108189 602506236 /nfs/dbraw/zinc/50/62/36/602506236.db2.gz SUQYKLPYMYTOGO-UHFFFAOYSA-N -1 0 316.382 3.739 20 0 DHADRM CC[C@@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739213710 602515237 /nfs/dbraw/zinc/51/52/37/602515237.db2.gz KBWKBJRQUIOJMJ-MRXNPFEDSA-N -1 0 312.369 3.587 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000740674445 602515702 /nfs/dbraw/zinc/51/57/02/602515702.db2.gz QDQCAXUSAKGELG-QGZVFWFLSA-N -1 0 324.380 3.513 20 0 DHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736824975 602519429 /nfs/dbraw/zinc/51/94/29/602519429.db2.gz JITXWSRBNMJORC-GFCCVEGCSA-N -1 0 310.353 3.616 20 0 DHADRM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738311015 602520542 /nfs/dbraw/zinc/52/05/42/602520542.db2.gz MNYVJKTZSRURBK-MRXNPFEDSA-N -1 0 310.353 3.502 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)OCc2cnc3ccccc3c2)c1 ZINC000740040273 602566506 /nfs/dbraw/zinc/56/65/06/602566506.db2.gz SYOVIHZBBFWYEV-UHFFFAOYSA-N -1 0 322.320 3.682 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737101071 602598870 /nfs/dbraw/zinc/59/88/70/602598870.db2.gz ULPPBMKZGJKPNB-UHFFFAOYSA-N -1 0 319.283 3.583 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1NC(=O)[O-] ZINC000830186360 602767977 /nfs/dbraw/zinc/76/79/77/602767977.db2.gz GIVTWQSPQMMPET-INIZCTEOSA-N -1 0 324.380 3.715 20 0 DHADRM CCc1cccc2c1N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)CC2 ZINC000827600658 602769555 /nfs/dbraw/zinc/76/95/55/602769555.db2.gz RAHUVARRQHJYKG-UHFFFAOYSA-N -1 0 324.380 3.850 20 0 DHADRM C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739116480 602785388 /nfs/dbraw/zinc/78/53/88/602785388.db2.gz YTLZUAKSRDHICV-CYBMUJFWSA-N -1 0 324.380 3.687 20 0 DHADRM CC(C)CN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)C(C)C ZINC000824250835 602786000 /nfs/dbraw/zinc/78/60/00/602786000.db2.gz BZXDHRQSZHZJAN-GOEBONIOSA-N -1 0 320.433 3.524 20 0 DHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000738952248 602792327 /nfs/dbraw/zinc/79/23/27/602792327.db2.gz WLPLOJRBHZENLE-LLVKDONJSA-N -1 0 316.332 3.733 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3[nH]ccc32)cc1NC(=O)[O-] ZINC000830234028 602811155 /nfs/dbraw/zinc/81/11/55/602811155.db2.gz KOZCAZBNNFPSFY-UHFFFAOYSA-N -1 0 309.325 3.819 20 0 DHADRM CC(C)c1cnc(NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000736523418 602813203 /nfs/dbraw/zinc/81/32/03/602813203.db2.gz PCPINOPZJHHATQ-UHFFFAOYSA-N -1 0 305.359 3.609 20 0 DHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827410062 602857257 /nfs/dbraw/zinc/85/72/57/602857257.db2.gz UWTJJVVGDKYKSA-UHFFFAOYSA-N -1 0 318.304 3.567 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)c2ccsc2)n1 ZINC000738816061 602930117 /nfs/dbraw/zinc/93/01/17/602930117.db2.gz IULVFYLCFKCVJM-ONGXEEELSA-N -1 0 309.391 3.638 20 0 DHADRM Cc1ccc(C(=O)NCc2coc3ccccc23)cc1NC(=O)[O-] ZINC000830219315 602938974 /nfs/dbraw/zinc/93/89/74/602938974.db2.gz BOOFXSVADIEXEV-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)cc1NC(=O)[O-] ZINC000830193663 602942298 /nfs/dbraw/zinc/94/22/98/602942298.db2.gz YISINEJTXWLWKW-AWEZNQCLSA-N -1 0 318.417 3.983 20 0 DHADRM Cc1ccc(C(=O)NC2[C@H](C)CCC[C@H]2C)cc1NC(=O)[O-] ZINC000830206053 602952787 /nfs/dbraw/zinc/95/27/87/602952787.db2.gz WLQUOYYGJRTVMR-VXGBXAGGSA-N -1 0 304.390 3.639 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736223587 602961453 /nfs/dbraw/zinc/96/14/53/602961453.db2.gz LTQPVIOMUACVFV-SNVBAGLBSA-N -1 0 303.289 3.625 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000738667302 602965991 /nfs/dbraw/zinc/96/59/91/602965991.db2.gz NPTDOSFQVNMENO-ZDUSSCGKSA-N -1 0 315.350 3.571 20 0 DHADRM Cc1ccccc1C1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738318885 602966707 /nfs/dbraw/zinc/96/67/07/602966707.db2.gz AUWLNOYRGVLDPP-UHFFFAOYSA-N -1 0 311.337 3.722 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826668889 602977058 /nfs/dbraw/zinc/97/70/58/602977058.db2.gz SCDCOYPLOSTRSU-AWEZNQCLSA-N -1 0 304.390 3.880 20 0 DHADRM Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)cc1NC(=O)[O-] ZINC000830187393 602977638 /nfs/dbraw/zinc/97/76/38/602977638.db2.gz QNKHUJRMIXTBHC-UHFFFAOYSA-N -1 0 322.364 3.777 20 0 DHADRM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000826669562 602983126 /nfs/dbraw/zinc/98/31/26/602983126.db2.gz XVDQGCMRQCHIHK-GXTWGEPZSA-N -1 0 304.390 3.784 20 0 DHADRM Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1NC(=O)[O-] ZINC000830234320 603010993 /nfs/dbraw/zinc/01/09/93/603010993.db2.gz QTAJDRCMHROPNL-UHFFFAOYSA-N -1 0 319.386 3.917 20 0 DHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739094215 603037494 /nfs/dbraw/zinc/03/74/94/603037494.db2.gz GIDDIZPCYHGGLE-ZJUUUORDSA-N -1 0 309.341 3.616 20 0 DHADRM CN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CCCCC1 ZINC000739576256 603037777 /nfs/dbraw/zinc/03/77/77/603037777.db2.gz PGVRUUXJMJWVOY-UHFFFAOYSA-N -1 0 309.341 3.712 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739301869 603066469 /nfs/dbraw/zinc/06/64/69/603066469.db2.gz CDWZKKHUHQGLTD-QQFBHYJXSA-N -1 0 324.465 3.678 20 0 DHADRM CC(C)c1ccccc1OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738876887 603152398 /nfs/dbraw/zinc/15/23/98/603152398.db2.gz NZMNJVFFUBLANB-STQMWFEESA-N -1 0 305.374 3.542 20 0 DHADRM COc1ccc([C@@H](NC(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC000829312949 603155050 /nfs/dbraw/zinc/15/50/50/603155050.db2.gz XBQHAXUJCASYCO-HNNXBMFYSA-N -1 0 321.760 3.714 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc3[nH]cnc3c2)cc1 ZINC000825448294 603178380 /nfs/dbraw/zinc/17/83/80/603178380.db2.gz CECPHPUQNMYBBU-LLVKDONJSA-N -1 0 310.357 3.504 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830267151 603179905 /nfs/dbraw/zinc/17/99/05/603179905.db2.gz AFODJYKQYLIHDW-ZDUSSCGKSA-N -1 0 312.369 3.884 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739094316 603184280 /nfs/dbraw/zinc/18/42/80/603184280.db2.gz VTPOBAXMVAQWRS-CHWSQXEVSA-N -1 0 304.390 3.561 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000830942325 603187682 /nfs/dbraw/zinc/18/76/82/603187682.db2.gz IWSZCBNNHHWTOO-JTQLQIEISA-N -1 0 316.357 3.786 20 0 DHADRM Cc1cccc(C(C)(C)NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738308590 603192219 /nfs/dbraw/zinc/19/22/19/603192219.db2.gz RHIQQRSAWVGIOO-UHFFFAOYSA-N -1 0 312.369 3.750 20 0 DHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739093574 603196203 /nfs/dbraw/zinc/19/62/03/603196203.db2.gz RADGXOWZKSQTSS-JSGCOSHPSA-N -1 0 316.401 3.882 20 0 DHADRM COc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739951494 603200122 /nfs/dbraw/zinc/20/01/22/603200122.db2.gz GGKHKCOCKDVWQN-UHFFFAOYSA-N -1 0 320.732 3.691 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738818065 603200463 /nfs/dbraw/zinc/20/04/63/603200463.db2.gz CVOUBOWPHHCSAX-JTQLQIEISA-N -1 0 312.797 3.984 20 0 DHADRM C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000826042779 603202152 /nfs/dbraw/zinc/20/21/52/603202152.db2.gz SKKCEGANTHKXKQ-MLGOLLRUSA-N -1 0 310.353 3.610 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)[O-] ZINC000830230544 603216924 /nfs/dbraw/zinc/21/69/24/603216924.db2.gz KPKRSGPWTWJKCV-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NC(=O)[O-] ZINC000830205481 603220734 /nfs/dbraw/zinc/22/07/34/603220734.db2.gz OZTKCSWIYBWEMQ-MRXNPFEDSA-N -1 0 324.380 3.892 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3ncccc32)cc1NC(=O)[O-] ZINC000830233770 603226189 /nfs/dbraw/zinc/22/61/89/603226189.db2.gz GBCHUSMUBLKSPX-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM CC1CCC(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739090461 603228533 /nfs/dbraw/zinc/22/85/33/603228533.db2.gz OMEMUEKUYMWDBX-UHFFFAOYSA-N -1 0 324.808 3.986 20 0 DHADRM Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830211381 603237670 /nfs/dbraw/zinc/23/76/70/603237670.db2.gz PDTQEZJEPBEHOM-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000825449181 603239442 /nfs/dbraw/zinc/23/94/42/603239442.db2.gz LITHTTGLNPCLPL-LLVKDONJSA-N -1 0 321.446 3.634 20 0 DHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739023295 603243894 /nfs/dbraw/zinc/24/38/94/603243894.db2.gz KWRUCDRQPNRQIQ-SNVBAGLBSA-N -1 0 318.760 3.921 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000739086444 603249362 /nfs/dbraw/zinc/24/93/62/603249362.db2.gz QGGZLUCLDVMZAG-BFVZDQMLSA-N -1 0 324.808 3.984 20 0 DHADRM Cc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000740169769 603262778 /nfs/dbraw/zinc/26/27/78/603262778.db2.gz JSIBMIBPKHONLY-AWEZNQCLSA-N -1 0 318.760 3.596 20 0 DHADRM Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1NC(=O)[O-] ZINC000830203927 603276130 /nfs/dbraw/zinc/27/61/30/603276130.db2.gz CCNYIEQIGSKZBU-LBPRGKRZSA-N -1 0 310.353 3.676 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1NC(=O)[O-] ZINC000830182199 603307115 /nfs/dbraw/zinc/30/71/15/603307115.db2.gz UIWALXLVBHXTOR-SMDDNHRTSA-N -1 0 304.390 3.736 20 0 DHADRM CC(C)c1ccc(NC(=O)C[C@H](C)NC(=O)[O-])c(C(C)C)c1 ZINC000824687597 603320386 /nfs/dbraw/zinc/32/03/86/603320386.db2.gz WEDDDJFJHOJRTC-LBPRGKRZSA-N -1 0 306.406 3.918 20 0 DHADRM C[C@H](C1CC1)N(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CC1 ZINC000824543492 603325182 /nfs/dbraw/zinc/32/51/82/603325182.db2.gz ITWHRQUDOIQLAC-SECBINFHSA-N -1 0 321.352 3.710 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739304598 603352502 /nfs/dbraw/zinc/35/25/02/603352502.db2.gz ZVEXAGHEKURRCD-ZDUSSCGKSA-N -1 0 321.421 3.839 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N(C)CC(C)(C)C)C(=O)[O-] ZINC000739446328 603353271 /nfs/dbraw/zinc/35/32/71/603353271.db2.gz XOGWZPQCJUFMGU-UHFFFAOYSA-N -1 0 321.421 3.696 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000825914252 603372966 /nfs/dbraw/zinc/37/29/66/603372966.db2.gz YYABJQATPZPBKC-OLZOCXBDSA-N -1 0 319.405 3.669 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)C ZINC000826614102 603377409 /nfs/dbraw/zinc/37/74/09/603377409.db2.gz ZIODLJFXXNFJOW-SMDDNHRTSA-N -1 0 307.394 3.571 20 0 DHADRM CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1C)C(=O)[O-] ZINC000739393165 603380130 /nfs/dbraw/zinc/38/01/30/603380130.db2.gz XBPOEIMQXINERJ-UHFFFAOYSA-N -1 0 312.369 3.600 20 0 DHADRM CCN(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)[C@H](C)C(C)C ZINC000826979550 603380648 /nfs/dbraw/zinc/38/06/48/603380648.db2.gz ISEYVJMWRZWPKB-CHWSQXEVSA-N -1 0 321.421 3.914 20 0 DHADRM CCCC(C)(C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826712165 603383502 /nfs/dbraw/zinc/38/35/02/603383502.db2.gz JPSRJIAIDKBDAV-LLVKDONJSA-N -1 0 307.394 3.715 20 0 DHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000832331246 603408384 /nfs/dbraw/zinc/40/83/84/603408384.db2.gz BUFQIJVLNARKTC-PWSUYJOCSA-N -1 0 321.764 3.684 20 0 DHADRM C[C@@H](c1nc(C2CCCC2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645756 603410461 /nfs/dbraw/zinc/41/04/61/603410461.db2.gz VNQVOCOVJRLZDJ-BXUZGUMPSA-N -1 0 315.373 3.840 20 0 DHADRM C[C@H](Cc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC(=O)[O-] ZINC000825030436 603418439 /nfs/dbraw/zinc/41/84/39/603418439.db2.gz KMGRSXKFMAFSOF-GFCCVEGCSA-N -1 0 323.352 3.602 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739089814 603431499 /nfs/dbraw/zinc/43/14/99/603431499.db2.gz FOCGACGUUCDRBF-ZIAGYGMSSA-N -1 0 316.401 3.734 20 0 DHADRM Cc1cscc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000830671495 603443015 /nfs/dbraw/zinc/44/30/15/603443015.db2.gz AFEZKLILRYVQRT-UHFFFAOYSA-N -1 0 316.382 3.739 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc3cnccc32)cc1NC(=O)[O-] ZINC000830233836 603448635 /nfs/dbraw/zinc/44/86/35/603448635.db2.gz IZZBSKLIVOBPHJ-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM Cc1ccc(C(=O)OCC2(C(F)(F)F)CC2)cc1NC(=O)[O-] ZINC000830239299 603454196 /nfs/dbraw/zinc/45/41/96/603454196.db2.gz YBSIGBACNKRCCS-UHFFFAOYSA-N -1 0 317.263 3.584 20 0 DHADRM Cc1cscc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830671570 603454369 /nfs/dbraw/zinc/45/43/69/603454369.db2.gz CHTCKQONFWVGSS-SNVBAGLBSA-N -1 0 304.371 3.637 20 0 DHADRM Cc1nc(COC(=O)c2ccc(C)c(NC(=O)[O-])c2)sc1C ZINC000830245603 603484864 /nfs/dbraw/zinc/48/48/64/603484864.db2.gz OPACGIJWDFKWDO-UHFFFAOYSA-N -1 0 320.370 3.515 20 0 DHADRM Cc1cccc2nc(CNc3ccc([C@@H](C)NC(=O)[O-])cc3)cn21 ZINC000830545249 603522836 /nfs/dbraw/zinc/52/28/36/603522836.db2.gz IBMNZFTXYQVGJP-CYBMUJFWSA-N -1 0 324.384 3.583 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824244929 603530138 /nfs/dbraw/zinc/53/01/38/603530138.db2.gz MYPIZUBZRQAHTO-GJZGRUSLSA-N -1 0 318.417 3.650 20 0 DHADRM Cc1cc(C)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)n1 ZINC000829991176 603531755 /nfs/dbraw/zinc/53/17/55/603531755.db2.gz PAHCNNSFZOWTEF-UHFFFAOYSA-N -1 0 313.357 3.657 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000830480753 603539575 /nfs/dbraw/zinc/53/95/75/603539575.db2.gz UAMQVKWRUHRMIM-UHFFFAOYSA-N -1 0 324.380 3.592 20 0 DHADRM CC(C)OCc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824404130 603540745 /nfs/dbraw/zinc/54/07/45/603540745.db2.gz CIPFZMYLNIJVKC-UHFFFAOYSA-N -1 0 315.373 3.709 20 0 DHADRM CC(C)(C)OCc1ccc(NC2CCN(C(=O)[O-])CC2)cc1 ZINC000823832959 603608507 /nfs/dbraw/zinc/60/85/07/603608507.db2.gz CREAGYROUGCPOV-UHFFFAOYSA-N -1 0 306.406 3.556 20 0 DHADRM Cc1c(NC(=O)CCC(C)(C)NC(=O)[O-])sc2c1CCCC2 ZINC000829880114 603633995 /nfs/dbraw/zinc/63/39/95/603633995.db2.gz CQMOCVSPSZOOOC-UHFFFAOYSA-N -1 0 324.446 3.700 20 0 DHADRM C[C@H](Cc1nc(-c2cccc(NC(=O)[O-])c2)no1)c1cccnc1 ZINC000825029912 603641295 /nfs/dbraw/zinc/64/12/95/603641295.db2.gz DYZYIAHMPHMWGD-LLVKDONJSA-N -1 0 324.340 3.568 20 0 DHADRM CCc1ccc(O)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827590215 603895661 /nfs/dbraw/zinc/89/56/61/603895661.db2.gz ZAFJPNPWKYCLRM-UHFFFAOYSA-N -1 0 314.341 3.605 20 0 DHADRM Cc1nc(CCCC(=O)Nc2ccccc2NC(=O)[O-])cs1 ZINC000830742093 603922675 /nfs/dbraw/zinc/92/26/75/603922675.db2.gz YFBUVGFDQUXCQC-UHFFFAOYSA-N -1 0 319.386 3.503 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccccc1Cl ZINC000831797080 603942768 /nfs/dbraw/zinc/94/27/68/603942768.db2.gz AGKALCIOPZDPKN-UHFFFAOYSA-N -1 0 316.744 3.633 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1NC(=O)[O-] ZINC000830186106 603953224 /nfs/dbraw/zinc/95/32/24/603953224.db2.gz FTNBPRPVKQBEBK-INIZCTEOSA-N -1 0 324.380 3.542 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826904359 603991549 /nfs/dbraw/zinc/99/15/49/603991549.db2.gz RLTBUCQGAREUAG-UHFFFAOYSA-N -1 0 319.405 3.627 20 0 DHADRM CCSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827503800 604023007 /nfs/dbraw/zinc/02/30/07/604023007.db2.gz MOGDMZOKNNGUGB-GFCCVEGCSA-N -1 0 324.446 3.689 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830472738 604028878 /nfs/dbraw/zinc/02/88/78/604028878.db2.gz SRJBBTWPNNFORB-CYBMUJFWSA-N -1 0 304.390 3.589 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1NC(=O)[O-] ZINC000830230418 604032874 /nfs/dbraw/zinc/03/28/74/604032874.db2.gz IUKRSYSHQVJPPF-UHFFFAOYSA-N -1 0 320.732 3.696 20 0 DHADRM Cc1c(C(=O)Nc2ccc(NC(=O)[O-])cc2)cnc2ccccc12 ZINC000829855351 604054218 /nfs/dbraw/zinc/05/42/18/604054218.db2.gz SBWTVKPHPRJUJA-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000235770342 604268243 /nfs/dbraw/zinc/26/82/43/604268243.db2.gz FUPGPVIMSZOHFP-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826711020 604272037 /nfs/dbraw/zinc/27/20/37/604272037.db2.gz XVZKKSANIIZHMJ-INIZCTEOSA-N -1 0 315.344 3.651 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C(F)=C2CCCC2)c1 ZINC000829469422 604279389 /nfs/dbraw/zinc/27/93/89/604279389.db2.gz PFUROFANWKTLBG-UHFFFAOYSA-N -1 0 308.309 3.521 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2occc2-c2ccccc2)c1 ZINC000566833699 604316747 /nfs/dbraw/zinc/31/67/47/604316747.db2.gz KQXHZROZOPETAX-UHFFFAOYSA-N -1 0 313.334 3.959 20 0 DHADRM COc1cc(NCc2cccc(C(=O)[O-])c2)c(OC)cc1Cl ZINC000319241310 604326609 /nfs/dbraw/zinc/32/66/09/604326609.db2.gz SYWNTFHHLHKJSN-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM O=C([O-])c1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)o1 ZINC000833315221 604331152 /nfs/dbraw/zinc/33/11/52/604331152.db2.gz XLWYWBWRGIZVRN-AWEZNQCLSA-N -1 0 313.353 3.514 20 0 DHADRM CCC/C(C)=C\C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829210072 604381727 /nfs/dbraw/zinc/38/17/27/604381727.db2.gz YSTBUYJZMLANOC-AHKFDXCISA-N -1 0 303.402 3.701 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000826089147 604384880 /nfs/dbraw/zinc/38/48/80/604384880.db2.gz JHPKWJXZPMGVGE-MRXNPFEDSA-N -1 0 317.429 3.925 20 0 DHADRM Cc1ccc(N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)cc1 ZINC000832935866 604389035 /nfs/dbraw/zinc/38/90/35/604389035.db2.gz RQIWCQOYQTYCTF-UHFFFAOYSA-N -1 0 315.344 3.888 20 0 DHADRM C[C@@H]1CC/C(=C\C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828201349 604392299 /nfs/dbraw/zinc/39/22/99/604392299.db2.gz RHRWHRCEWXQVPO-GZVBCTEOSA-N -1 0 315.413 3.701 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2c(F)cc(F)cc2C1 ZINC000833031916 604395375 /nfs/dbraw/zinc/39/53/75/604395375.db2.gz QIXOZXHHNCVTRU-UHFFFAOYSA-N -1 0 323.364 3.591 20 0 DHADRM Cc1nc(CN2CCCN(C(=O)[O-])c3ccccc32)sc1C ZINC000830751691 604422157 /nfs/dbraw/zinc/42/21/57/604422157.db2.gz PNSDWHDESCNKEO-UHFFFAOYSA-N -1 0 317.414 3.655 20 0 DHADRM CCc1oc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1C ZINC000827680437 604427125 /nfs/dbraw/zinc/42/71/25/604427125.db2.gz IBEBAVRNQWYVIA-UHFFFAOYSA-N -1 0 306.293 3.632 20 0 DHADRM Cc1ccc2nc(CNc3ccc([C@H](C)NC(=O)[O-])cc3)cn2c1 ZINC000830453129 604441554 /nfs/dbraw/zinc/44/15/54/604441554.db2.gz DSJFTAUFWBZWAI-ZDUSSCGKSA-N -1 0 324.384 3.583 20 0 DHADRM CC(C)(C)SCCCC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000833447498 604469321 /nfs/dbraw/zinc/46/93/21/604469321.db2.gz SCLASQCGNBZYPU-UHFFFAOYSA-N -1 0 310.415 3.740 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827948894 604487750 /nfs/dbraw/zinc/48/77/50/604487750.db2.gz HHLVYFKXHBYACT-JTQLQIEISA-N -1 0 304.371 3.671 20 0 DHADRM Cc1cccc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832966382 604490702 /nfs/dbraw/zinc/49/07/02/604490702.db2.gz OXDKQKDUQHHONO-UHFFFAOYSA-N -1 0 318.398 3.812 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832960556 604493384 /nfs/dbraw/zinc/49/33/84/604493384.db2.gz PWNHDOSSOIFSEB-CYBMUJFWSA-N -1 0 316.382 3.564 20 0 DHADRM CC(C)(C(=O)OC1CCC(CC(=O)[O-])CC1)c1cccs1 ZINC000833419480 604494608 /nfs/dbraw/zinc/49/46/08/604494608.db2.gz UYQFFIPMKOXUCQ-UHFFFAOYSA-N -1 0 310.415 3.602 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000832965908 604524806 /nfs/dbraw/zinc/52/48/06/604524806.db2.gz HDRGWRXQVHUAFK-LLVKDONJSA-N -1 0 318.398 3.946 20 0 DHADRM CC(C)(C)Oc1cccc(COc2cccc(NC(=O)[O-])c2)n1 ZINC000833446824 604531557 /nfs/dbraw/zinc/53/15/57/604531557.db2.gz HPWGIWQYQSKFHK-UHFFFAOYSA-N -1 0 316.357 3.928 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000832878220 604546830 /nfs/dbraw/zinc/54/68/30/604546830.db2.gz WKPNBWJUBYXBFG-JLVNDZCYSA-N -1 0 300.310 3.604 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000761604567 604555457 /nfs/dbraw/zinc/55/54/57/604555457.db2.gz VETWKMXSOXWZEW-ZHACJKMWSA-N -1 0 309.793 3.503 20 0 DHADRM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000833561542 604558188 /nfs/dbraw/zinc/55/81/88/604558188.db2.gz QMCZRBMJERXHSN-AWEZNQCLSA-N -1 0 318.417 3.999 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000833385533 604569835 /nfs/dbraw/zinc/56/98/35/604569835.db2.gz HKEQVJHGMGSSQF-QXMHVHEDSA-N -1 0 321.804 3.599 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000826682392 604574404 /nfs/dbraw/zinc/57/44/04/604574404.db2.gz ZQNQMAXNKWHSJT-JKSUJKDBSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263020487 604575357 /nfs/dbraw/zinc/57/53/57/604575357.db2.gz TXEZEXCPWRNSRR-MRXNPFEDSA-N -1 0 317.429 3.501 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Cc2ccccc2)oc1C(=O)[O-] ZINC000832875197 604586417 /nfs/dbraw/zinc/58/64/17/604586417.db2.gz 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ZINC000833577893 604598343 /nfs/dbraw/zinc/59/83/43/604598343.db2.gz BOGCAOUEAHFLMN-UHFFFAOYSA-N -1 0 320.414 3.509 20 0 DHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833639880 604600759 /nfs/dbraw/zinc/60/07/59/604600759.db2.gz ZLLIJOJIMAFROZ-NEPJUHHUSA-N -1 0 324.446 3.810 20 0 DHADRM O=C([O-])/C(=C/c1ccc(F)cc1Br)c1ccncc1 ZINC000833164244 604627935 /nfs/dbraw/zinc/62/79/35/604627935.db2.gz VYRAVBVFIUJQHH-KPKJPENVSA-N -1 0 322.133 3.608 20 0 DHADRM CC(C)(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000833412121 604640612 /nfs/dbraw/zinc/64/06/12/604640612.db2.gz XRIALLODYCMZRY-UHFFFAOYSA-N -1 0 318.417 3.652 20 0 DHADRM CC(C)c1ncc(CNc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000827158257 604645143 /nfs/dbraw/zinc/64/51/43/604645143.db2.gz FCQVSDHHLFHCAB-UHFFFAOYSA-N -1 0 305.403 3.993 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1sc(C)nc1C ZINC000568292697 604649508 /nfs/dbraw/zinc/64/95/08/604649508.db2.gz TZHAKBWWTVPAGH-HNNXBMFYSA-N -1 0 318.442 3.798 20 0 DHADRM 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ZINC000572729288 604758022 /nfs/dbraw/zinc/75/80/22/604758022.db2.gz WQXYOLNXHOTRJY-ZIAGYGMSSA-N -1 0 311.422 3.630 20 0 DHADRM C[C@@H]1CCCC[C@H]1OCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000578866300 604771256 /nfs/dbraw/zinc/77/12/56/604771256.db2.gz JJQUVLZFZBMPHS-UWWQBHOKSA-N -1 0 317.429 3.660 20 0 DHADRM CC(C)CSCCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833493055 604773850 /nfs/dbraw/zinc/77/38/50/604773850.db2.gz YXFIZAIKNZYVBS-OAHLLOKOSA-N -1 0 307.459 3.844 20 0 DHADRM Cc1cccc2c(Nc3ccc(CN(C)C(=O)[O-])cc3)ncnc12 ZINC000832974434 604774239 /nfs/dbraw/zinc/77/42/39/604774239.db2.gz LUJGNOHLCKMTEU-UHFFFAOYSA-N -1 0 322.368 3.792 20 0 DHADRM COCc1cccc(CNc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000833725626 604775557 /nfs/dbraw/zinc/77/55/57/604775557.db2.gz BUBLFXHOTHSVBG-UHFFFAOYSA-N -1 0 300.358 3.559 20 0 DHADRM CC(C)(C)Oc1cc(F)ccc1NCc1ccoc1C(=O)[O-] ZINC000833448007 604779344 /nfs/dbraw/zinc/77/93/44/604779344.db2.gz VEZJNUPZQICXTJ-UHFFFAOYSA-N -1 0 307.321 3.906 20 0 DHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc21 ZINC000683338427 604782225 /nfs/dbraw/zinc/78/22/25/604782225.db2.gz SLQCNWPRTFOWKJ-UHFFFAOYSA-N -1 0 323.392 3.642 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000833386340 604792451 /nfs/dbraw/zinc/79/24/51/604792451.db2.gz NSWMMJWPROHULV-BENRWUELSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000262719788 604794028 /nfs/dbraw/zinc/79/40/28/604794028.db2.gz DPDJYHKYVINGNZ-FZKQIMNGSA-N -1 0 323.392 3.682 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833511405 604798495 /nfs/dbraw/zinc/79/84/95/604798495.db2.gz QGHQJZULZQMPAV-UHFFFAOYSA-N -1 0 305.355 3.528 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1F ZINC000833158894 604802810 /nfs/dbraw/zinc/80/28/10/604802810.db2.gz ZVLGBDDJCHWFOI-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)c1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827134130 604803557 /nfs/dbraw/zinc/80/35/57/604803557.db2.gz 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/nfs/dbraw/zinc/84/19/61/604841961.db2.gz RKFZDTBGGQDHMS-UHFFFAOYSA-N -1 0 320.364 3.734 20 0 DHADRM Cc1cc(C)cc(CCC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832876685 604844485 /nfs/dbraw/zinc/84/44/85/604844485.db2.gz NLKMASOPPAURKK-UHFFFAOYSA-N -1 0 313.353 3.932 20 0 DHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000669436685 604858404 /nfs/dbraw/zinc/85/84/04/604858404.db2.gz APJBMTQQALNFFT-PBHICJAKSA-N -1 0 323.392 3.785 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 ZINC000833419828 604873367 /nfs/dbraw/zinc/87/33/67/604873367.db2.gz WABKEUCIRGQGLQ-CYBMUJFWSA-N -1 0 316.376 3.701 20 0 DHADRM C[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccsc1 ZINC000833412046 604877200 /nfs/dbraw/zinc/87/72/00/604877200.db2.gz SDEGYHRKNWPIJM-ZETCQYMHSA-N -1 0 322.411 3.522 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1CCC(C)(C)CC1 ZINC000831912732 604878975 /nfs/dbraw/zinc/87/89/75/604878975.db2.gz DJPWYMDFBPBXKU-UHFFFAOYSA-N -1 0 306.358 3.515 20 0 DHADRM 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DHADRM CCc1nc(NC(=O)[C@H](C)CC2CCCC2)sc1C(=O)[O-] ZINC000833674033 604994906 /nfs/dbraw/zinc/99/49/06/604994906.db2.gz NVQYCGBYFPVPPJ-SECBINFHSA-N -1 0 310.419 3.559 20 0 DHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000833224769 604998684 /nfs/dbraw/zinc/99/86/84/604998684.db2.gz BOWVNCKDCXDMHQ-MRXNPFEDSA-N -1 0 324.465 3.776 20 0 DHADRM O=C([O-])[C@@H](Nc1cccc(CCC(F)(F)F)c1)c1cccnc1 ZINC000833170285 605008005 /nfs/dbraw/zinc/00/80/05/605008005.db2.gz PEGACELEYWANBD-AWEZNQCLSA-N -1 0 324.302 3.814 20 0 DHADRM Cc1scc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1C ZINC000833759131 605026857 /nfs/dbraw/zinc/02/68/57/605026857.db2.gz OWXCNEYVUSOXLU-UHFFFAOYSA-N -1 0 322.411 3.649 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000261857380 605044367 /nfs/dbraw/zinc/04/43/67/605044367.db2.gz QUCSCEWHQBXJJF-RCFWFJCLSA-N -1 0 315.413 3.537 20 0 DHADRM C/C(=C\CN[C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)[O-] ZINC000833385163 605065845 /nfs/dbraw/zinc/06/58/45/605065845.db2.gz 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ZINC000833472273 605078353 /nfs/dbraw/zinc/07/83/53/605078353.db2.gz XUQKBSDLHBRULD-AWEZNQCLSA-N -1 0 323.755 3.777 20 0 DHADRM CC(C)[C@@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1F ZINC000833472274 605078424 /nfs/dbraw/zinc/07/84/24/605078424.db2.gz XUQKBSDLHBRULD-CQSZACIVSA-N -1 0 323.755 3.777 20 0 DHADRM CC1(C)CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000833558611 605079528 /nfs/dbraw/zinc/07/95/28/605079528.db2.gz XUDNLAPSFVFNOC-OCCSQVGLSA-N -1 0 323.820 3.798 20 0 DHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cccc(NC(=O)[O-])c3)C2)C1 ZINC000833608714 605091012 /nfs/dbraw/zinc/09/10/12/605091012.db2.gz CHLXWJRUTZLJOI-SJCJKPOMSA-N -1 0 317.389 3.821 20 0 DHADRM O=C([O-])C1(CNC(=O)Nc2cccc3ccsc32)CCCC1 ZINC000386281719 605106798 /nfs/dbraw/zinc/10/67/98/605106798.db2.gz FNZNPLSJJQSMRF-UHFFFAOYSA-N -1 0 318.398 3.668 20 0 DHADRM Cc1cccc(C2(NC(=O)CC(C)(C)CC(=O)[O-])CCCC2)c1 ZINC000683301741 605107914 /nfs/dbraw/zinc/10/79/14/605107914.db2.gz DDEOIRGJANUFDA-UHFFFAOYSA-N -1 0 317.429 3.772 20 0 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317.366 3.742 20 0 DHADRM CC[C@@H](OC(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593609129 953446096 /nfs/dbraw/zinc/44/60/96/953446096.db2.gz KFRQBVWSKPAVBN-WRWORJQWSA-N -1 0 305.157 3.708 20 0 DHADRM Cc1csc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1Cl ZINC000455804494 953516416 /nfs/dbraw/zinc/51/64/16/953516416.db2.gz WLUFUFBFFKSNQY-VIFPVBQESA-N -1 0 317.838 3.719 20 0 DHADRM C[C@H]1CC(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)C1 ZINC001589283981 953540149 /nfs/dbraw/zinc/54/01/49/953540149.db2.gz AOYNSCAIOSATLO-GHMZBOCLSA-N -1 0 322.380 3.718 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001602959020 971939011 /nfs/dbraw/zinc/93/90/11/971939011.db2.gz PMOPRIDPXOFDQI-CABCVRRESA-N -1 0 312.454 3.558 20 0 DHADRM CCc1c2ccccc2oc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593626566 953553450 /nfs/dbraw/zinc/55/34/50/953553450.db2.gz IUFMMLFMFMXGGI-UHFFFAOYSA-N -1 0 315.369 3.513 20 0 DHADRM C[C@@H]1C[C@@H](CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC(C)(C)C1 ZINC001589285846 953570284 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Cc1cc(Cl)c(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000581465815 953718129 /nfs/dbraw/zinc/71/81/29/953718129.db2.gz ZMEZVBNIWDJKIY-UHFFFAOYSA-N -1 0 323.820 3.674 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC001589304055 953721343 /nfs/dbraw/zinc/72/13/43/953721343.db2.gz LLGWRUWPBADLBI-IUODEOHRSA-N -1 0 316.401 3.671 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccoc2Cl)c1Cl ZINC001594804230 953770251 /nfs/dbraw/zinc/77/02/51/953770251.db2.gz SIWCHXACRAAAKO-UHFFFAOYSA-N -1 0 318.087 3.676 20 0 DHADRM CCC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000630097773 953835097 /nfs/dbraw/zinc/83/50/97/953835097.db2.gz MCXKLMQMGVNTSX-UKRRQHHQSA-N -1 0 323.820 3.547 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)C1(c2ccccc2)CCCCCC1 ZINC000630100239 953835125 /nfs/dbraw/zinc/83/51/25/953835125.db2.gz DEAAUAZWFAKZEU-UHFFFAOYSA-N -1 0 317.429 3.602 20 0 DHADRM CCC[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000630179551 953845313 /nfs/dbraw/zinc/84/53/13/953845313.db2.gz 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ZINC001589338238 954014352 /nfs/dbraw/zinc/01/43/52/954014352.db2.gz UOKDRGRWGPYJEX-UPZNUWHASA-N -1 0 311.337 3.531 20 0 DHADRM CC(C)[C@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001602973985 971982310 /nfs/dbraw/zinc/98/23/10/971982310.db2.gz BHHUKGZUGONLQJ-HNNXBMFYSA-N -1 0 312.369 3.548 20 0 DHADRM Cc1nc(C(C)C)ccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652469932 954087261 /nfs/dbraw/zinc/08/72/61/954087261.db2.gz IOJJZLMWEXDXRC-GOSISDBHSA-N -1 0 324.424 3.697 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653329013 954158634 /nfs/dbraw/zinc/15/86/34/954158634.db2.gz QFLOEINVJZVJLQ-DLBZAZTESA-N -1 0 323.392 3.655 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331636 954161220 /nfs/dbraw/zinc/16/12/20/954161220.db2.gz USFYQZAOUKRMMW-DQYPLSBCSA-N -1 0 315.413 3.632 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334098 954165570 /nfs/dbraw/zinc/16/55/70/954165570.db2.gz XRSYJZBGVFROMN-CABCVRRESA-N -1 0 303.402 3.632 20 0 DHADRM Cc1ccc(C)c(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653533776 954181623 /nfs/dbraw/zinc/18/16/23/954181623.db2.gz FPQHDBJNENBAMV-HZSPNIEDSA-N -1 0 318.417 3.560 20 0 DHADRM Cc1nc(-c2ccccc2)sc1NC(=O)CCCCC(=O)[O-] ZINC000655541669 954196735 /nfs/dbraw/zinc/19/67/35/954196735.db2.gz BPZUQQILEJJBJW-UHFFFAOYSA-N -1 0 318.398 3.702 20 0 DHADRM C[C@H]1CN(C(=O)C=C2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC001589372385 954217375 /nfs/dbraw/zinc/21/73/75/954217375.db2.gz LKVNHRUVYVECBD-VFDRBLODSA-N -1 0 321.461 3.718 20 0 DHADRM Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1Cl ZINC000655581844 954221556 /nfs/dbraw/zinc/22/15/56/954221556.db2.gz CZBHKKWRHLQLPO-KGYLQXTDSA-N -1 0 323.820 3.514 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000659146026 954311245 /nfs/dbraw/zinc/31/12/45/954311245.db2.gz GECYDNZCMVIKIR-AWEZNQCLSA-N -1 0 301.386 3.613 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ncc(C3CCCCC3)s2)CC=CC1 ZINC001594872696 954367203 /nfs/dbraw/zinc/36/72/03/954367203.db2.gz VMIGABRNHIFNHG-UHFFFAOYSA-N -1 0 320.414 3.550 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 ZINC000662886952 954399746 /nfs/dbraw/zinc/39/97/46/954399746.db2.gz BSBJVHHHPHMKAO-GFCCVEGCSA-N -1 0 323.462 3.667 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 ZINC000662886953 954400285 /nfs/dbraw/zinc/40/02/85/954400285.db2.gz BSBJVHHHPHMKAO-LBPRGKRZSA-N -1 0 323.462 3.667 20 0 DHADRM CCC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663041575 954415105 /nfs/dbraw/zinc/41/51/05/954415105.db2.gz ZSZGNBZDDPEYMQ-UHFFFAOYSA-N -1 0 317.385 3.643 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663051860 954424653 /nfs/dbraw/zinc/42/46/53/954424653.db2.gz GDZJYGNKYXVDNL-RISCZKNCSA-N -1 0 317.385 3.665 20 0 DHADRM Cc1ccc([C@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C2)c(C)c1 ZINC000668322448 954568122 /nfs/dbraw/zinc/56/81/22/954568122.db2.gz VXJPEJYXPDDLBC-KRWDZBQOSA-N -1 0 323.392 3.631 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669433922 954568804 /nfs/dbraw/zinc/56/88/04/954568804.db2.gz AHPMMYSUSCXHEA-SWLSCSKDSA-N -1 0 303.402 3.664 20 0 DHADRM CC[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC000669435384 954570768 /nfs/dbraw/zinc/57/07/68/954570768.db2.gz DPELBIZRZKQCMX-DZGCQCFKSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)NC2(CC(=O)[O-])CCCCC2)C1(C)C ZINC000675997158 954581065 /nfs/dbraw/zinc/58/10/65/954581065.db2.gz HXKXSVSCUQXEDF-UKRRQHHQSA-N -1 0 307.434 3.519 20 0 DHADRM CC/C(=C/C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001589419432 954584062 /nfs/dbraw/zinc/58/40/62/954584062.db2.gz CJOVFUANEYWDIF-SSCKCOOKSA-N -1 0 321.804 3.599 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001589435054 954681553 /nfs/dbraw/zinc/68/15/53/954681553.db2.gz AHRYJRIYNNZZMP-SECBINFHSA-N -1 0 324.591 3.582 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001603000306 972040133 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CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC001589478153 954967278 /nfs/dbraw/zinc/96/72/78/954967278.db2.gz ZSNDHBCTVZEBTO-IHWZXDPASA-N -1 0 321.461 3.599 20 0 DHADRM CCC(CC)(CNC(=O)NCC1(C)CCCCCC1)C(=O)[O-] ZINC001589493828 955014763 /nfs/dbraw/zinc/01/47/63/955014763.db2.gz PPHYLQHLPCVKMP-UHFFFAOYSA-N -1 0 312.454 3.537 20 0 DHADRM CC[C@@H](CNC(=O)N1CCC[C@H]1CCC1CCCCC1)C(=O)[O-] ZINC001589525832 955115124 /nfs/dbraw/zinc/11/51/24/955115124.db2.gz FCCVRHTWJLGZTQ-HOTGVXAUSA-N -1 0 324.465 3.632 20 0 DHADRM CC[C@@H](CNC(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001589545200 955194730 /nfs/dbraw/zinc/19/47/30/955194730.db2.gz GXMZLBSTNHKLGP-ZDUSSCGKSA-N -1 0 312.369 3.586 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000761729668 955313138 /nfs/dbraw/zinc/31/31/38/955313138.db2.gz QPEPLVIYSZAIHX-BCNIOPEESA-N -1 0 323.820 3.606 20 0 DHADRM O=C([O-])[C@@H]1CCN(CC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000818329090 955393554 /nfs/dbraw/zinc/39/35/54/955393554.db2.gz 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DIHIQZVBVFFOCL-NWDGAFQWSA-N -1 0 319.357 3.718 20 0 DHADRM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000390912000 972307391 /nfs/dbraw/zinc/30/73/91/972307391.db2.gz PPMLQRGTKSCMEL-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC001594307678 957982706 /nfs/dbraw/zinc/98/27/06/957982706.db2.gz TWHZAVXRBJOVLF-NSHDSACASA-N -1 0 304.173 3.597 20 0 DHADRM C[C@H](Cc1cccs1)N(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603207359 972316347 /nfs/dbraw/zinc/31/63/47/972316347.db2.gz OQFJYNUSBLNRSB-CYBMUJFWSA-N -1 0 323.458 3.563 20 0 DHADRM Cc1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)ccc1C(=O)[O-] ZINC001594323276 958139538 /nfs/dbraw/zinc/13/95/38/958139538.db2.gz SHWVOXWNPPXFPC-YVEFUNNKSA-N -1 0 324.380 3.543 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001358238276 958203532 /nfs/dbraw/zinc/20/35/32/958203532.db2.gz NSHGUQRFUJAZMO-GJEJWFRCSA-N -1 0 315.413 3.502 20 0 DHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C2CC2)c1 ZINC001603215691 972329061 /nfs/dbraw/zinc/32/90/61/972329061.db2.gz KEAMXBMGDNMQDO-ORAYPTAESA-N -1 0 313.397 3.552 20 0 DHADRM Cc1cc2c(ncnc2Oc2cc(C(=O)[O-])ccc2F)s1 ZINC001594331438 958227360 /nfs/dbraw/zinc/22/73/60/958227360.db2.gz GWRDVCPEZGKIPX-UHFFFAOYSA-N -1 0 304.302 3.629 20 0 DHADRM Cc1ccc(-c2nc(SCCC3(C(=O)[O-])CCC3)n[nH]2)cc1 ZINC001594337865 958279396 /nfs/dbraw/zinc/27/93/96/958279396.db2.gz PSTZKLVOUBADFV-UHFFFAOYSA-N -1 0 317.414 3.517 20 0 DHADRM O=C([O-])c1csc(CNc2cccc(-c3cnco3)c2)c1 ZINC000095005040 958328513 /nfs/dbraw/zinc/32/85/13/958328513.db2.gz GILYZMGVPDGBEN-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c2ccccc12 ZINC001594358629 958426003 /nfs/dbraw/zinc/42/60/03/958426003.db2.gz LWYAWBZWWHIFGS-FQEVSTJZSA-N -1 0 323.392 3.576 20 0 DHADRM Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1Cl ZINC001594369040 958524418 /nfs/dbraw/zinc/52/44/18/958524418.db2.gz PFOAMSRBFHWDIN-FNORWQNLSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1Cl ZINC001594369039 958524453 /nfs/dbraw/zinc/52/44/53/958524453.db2.gz PFOAMSRBFHWDIN-ALCCZGGFSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1ccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594373267 958561439 /nfs/dbraw/zinc/56/14/39/958561439.db2.gz MCUCKEGBBVXVEI-AWEZNQCLSA-N -1 0 314.385 3.501 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588480803 958589642 /nfs/dbraw/zinc/58/96/42/958589642.db2.gz KSBSJLHDWSUZEB-LCJXNMAOSA-N -1 0 315.413 3.644 20 0 DHADRM C/C(=C/C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)cc1 ZINC001588481266 958593771 /nfs/dbraw/zinc/59/37/71/958593771.db2.gz VYRYGCJCKSSBIU-SSCKCOOKSA-N -1 0 321.392 3.625 20 0 DHADRM C/C(=C/C(=O)Nc1sccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588482659 958601792 /nfs/dbraw/zinc/60/17/92/958601792.db2.gz WRUIHENWKMRZRK-HJWRWDBZSA-N -1 0 305.330 3.627 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC001573390913 958697345 /nfs/dbraw/zinc/69/73/45/958697345.db2.gz OESOPJKWGXJMOU-CVSAEHQPSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1cccc([C@H](NC(=O)/C(F)=C/C2CCCCC2)C(=O)[O-])c1 ZINC001594390618 958712064 /nfs/dbraw/zinc/71/20/64/958712064.db2.gz YPRHHDSRWZBLCE-QZFKAFNDSA-N -1 0 319.376 3.671 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C(=O)[O-])c1 ZINC001594391534 958730010 /nfs/dbraw/zinc/73/00/10/958730010.db2.gz GOKQLYHNAPURMG-CZUORRHYSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1Cl ZINC001594405670 958903153 /nfs/dbraw/zinc/90/31/53/958903153.db2.gz PCVCWIFHECYPGJ-SOFGYWHQSA-N -1 0 305.717 3.592 20 0 DHADRM CC(C)(C)c1ccccc1COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573463997 958933255 /nfs/dbraw/zinc/93/32/55/958933255.db2.gz RYOIQQDSJUBIMY-OLZOCXBDSA-N -1 0 304.386 3.528 20 0 DHADRM CC(C)(CCNC(=O)NC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC001573474246 958952082 /nfs/dbraw/zinc/95/20/82/958952082.db2.gz MBCKDKYWYYYWID-UHFFFAOYSA-N -1 0 324.465 3.680 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001573484554 958986700 /nfs/dbraw/zinc/98/67/00/958986700.db2.gz LADRJVZDALSGAL-ZDUSSCGKSA-N -1 0 304.390 3.570 20 0 DHADRM Cc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594415870 959002093 /nfs/dbraw/zinc/00/20/93/959002093.db2.gz UEIRKFWYHHXLMD-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@H]([C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001588551997 959030555 /nfs/dbraw/zinc/03/05/55/959030555.db2.gz NWAWMEKYVKFEQL-ZUWCUPBKSA-N -1 0 311.466 3.556 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001573501656 959067447 /nfs/dbraw/zinc/06/74/47/959067447.db2.gz JFHAQOJKRTXBJT-GOEBONIOSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)C1CCC(CNC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001573501738 959067864 /nfs/dbraw/zinc/06/78/64/959067864.db2.gz KTJIJDWJSNNUEX-UHFFFAOYSA-N -1 0 303.402 3.577 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001573501658 959068216 /nfs/dbraw/zinc/06/82/16/959068216.db2.gz JFHAQOJKRTXBJT-ZBFHGGJFSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594425526 959117228 /nfs/dbraw/zinc/11/72/28/959117228.db2.gz LZIULJASPKDDIH-JHJVBQTASA-N -1 0 323.458 3.556 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1Cl ZINC000160227282 959139071 /nfs/dbraw/zinc/13/90/71/959139071.db2.gz BSLTXCTXNKGKDL-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cn2c(nc(C)c2CNc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001594428307 959147059 /nfs/dbraw/zinc/14/70/59/959147059.db2.gz MKINXIDQPOIOBP-UHFFFAOYSA-N -1 0 315.398 3.631 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001588571348 959185314 /nfs/dbraw/zinc/18/53/14/959185314.db2.gz WTTYUCQJKDWCES-CQDKDKBSSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC001588575193 959214272 /nfs/dbraw/zinc/21/42/72/959214272.db2.gz HNSPYUXXVNKTDF-LBPRGKRZSA-N -1 0 320.348 3.561 20 0 DHADRM C[C@H](C(=O)[O-])N(c1nc2c(cc(Cl)cc2F)s1)C1CC1 ZINC001588596333 959371948 /nfs/dbraw/zinc/37/19/48/959371948.db2.gz FEFIGLZFEFNQQJ-ZCFIWIBFSA-N -1 0 314.769 3.531 20 0 DHADRM C[C@@H](C(=O)[O-])N(Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC001588596497 959375073 /nfs/dbraw/zinc/37/50/73/959375073.db2.gz HPFBEWPDZSNSCI-LBPRGKRZSA-N -1 0 301.342 3.509 20 0 DHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc2sc3ccccc3c2s1 ZINC000178129660 959423791 /nfs/dbraw/zinc/42/37/91/959423791.db2.gz FNWXCXYLOZQOOX-MRVPVSSYSA-N -1 0 319.407 3.661 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180013201 959435183 /nfs/dbraw/zinc/43/51/83/959435183.db2.gz GWWXRXBKSZJQBZ-OLZOCXBDSA-N -1 0 319.401 3.693 20 0 DHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1nccc2ccccc21 ZINC001603255577 972430215 /nfs/dbraw/zinc/43/02/15/972430215.db2.gz PNTOENGPPXNZAW-ACJLOTCBSA-N -1 0 306.365 3.711 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001594243202 959547071 /nfs/dbraw/zinc/54/70/71/959547071.db2.gz JNMWOHNHYRKLTQ-WHGOUJPWSA-N -1 0 317.168 3.708 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1(CC(=O)[O-])CCC1 ZINC001594244475 959556965 /nfs/dbraw/zinc/55/69/65/959556965.db2.gz WAGSXKQMYBYTEG-LLVKDONJSA-N -1 0 309.793 3.504 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000191411705 959562122 /nfs/dbraw/zinc/56/21/22/959562122.db2.gz PJLXAXAKCQHYGG-LBPRGKRZSA-N -1 0 323.348 3.948 20 0 DHADRM C[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(F)cc(F)c1 ZINC001573635741 959589721 /nfs/dbraw/zinc/58/97/21/959589721.db2.gz MVHHNDLLERORLI-AZVKUDOFSA-N -1 0 322.263 3.574 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001588634717 959640794 /nfs/dbraw/zinc/64/07/94/959640794.db2.gz SSKATUXGPGVDCV-LBPRGKRZSA-N -1 0 320.776 3.574 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001588636242 959664249 /nfs/dbraw/zinc/66/42/49/959664249.db2.gz ZKWJOQJFUKWXNU-MJBXVCDLSA-N -1 0 311.466 3.702 20 0 DHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC001588638386 959669466 /nfs/dbraw/zinc/66/94/66/959669466.db2.gz GMCIXLGAXZPDHF-GZBFAFLISA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC001588640907 959691795 /nfs/dbraw/zinc/69/17/95/959691795.db2.gz QDHASYUTXPZRED-SNVBAGLBSA-N -1 0 324.427 3.557 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573667005 959696285 /nfs/dbraw/zinc/69/62/85/959696285.db2.gz ANHIMLMRYCDMRK-CZUORRHYSA-N -1 0 321.392 3.674 20 0 DHADRM CC(C)(C)C1CCC(OC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001588643515 959718182 /nfs/dbraw/zinc/71/81/82/959718182.db2.gz RVCVZOZLFOABRP-UHFFFAOYSA-N -1 0 305.374 3.542 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC001594268329 959767102 /nfs/dbraw/zinc/76/71/02/959767102.db2.gz RULSLMGBMHKDMT-ZDUSSCGKSA-N -1 0 312.369 3.504 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573690951 959780655 /nfs/dbraw/zinc/78/06/55/959780655.db2.gz RDMRFRIELLMFAV-XYPHTWIQSA-N -1 0 313.397 3.552 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573690950 959780750 /nfs/dbraw/zinc/78/07/50/959780750.db2.gz RDMRFRIELLMFAV-XOKHGSTOSA-N -1 0 313.397 3.552 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-] ZINC001588652745 959782636 /nfs/dbraw/zinc/78/26/36/959782636.db2.gz FALLEVITUPQPII-CYBMUJFWSA-N -1 0 323.458 3.636 20 0 DHADRM O=C([O-])c1cccc(COc2c(F)c(F)cc(F)c2F)c1 ZINC000219337251 959792410 /nfs/dbraw/zinc/79/24/10/959792410.db2.gz XZNGIRPPFPLDTJ-UHFFFAOYSA-N -1 0 300.207 3.520 20 0 DHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573698130 959798985 /nfs/dbraw/zinc/79/89/85/959798985.db2.gz HQFVUTMOXLVAQG-SWLSCSKDSA-N -1 0 303.402 3.672 20 0 DHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573698128 959799265 /nfs/dbraw/zinc/79/92/65/959799265.db2.gz HQFVUTMOXLVAQG-DOMZBBRYSA-N -1 0 303.402 3.672 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc(Cl)sc1Cl ZINC000223843791 959844040 /nfs/dbraw/zinc/84/40/40/959844040.db2.gz HTBSPGWIQPQNJC-UHFFFAOYSA-N -1 0 324.229 3.820 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000659235840 1013194310 /nfs/dbraw/zinc/19/43/10/1013194310.db2.gz DMSFJOGGSVWTOJ-ACWOFJMJSA-N -1 0 317.429 3.502 20 0 DHADRM CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)C1CCC(C)CC1 ZINC001573758994 960591528 /nfs/dbraw/zinc/59/15/28/960591528.db2.gz MVLKXYCZLRAZOB-NQBOGQKCSA-N -1 0 309.450 3.551 20 0 DHADRM O=C([O-])c1ccc(F)c(CN2Cc3ccc(Cl)cc3C2)c1 ZINC001231461456 960614702 /nfs/dbraw/zinc/61/47/02/960614702.db2.gz VPPRNGLPVFPEMT-UHFFFAOYSA-N -1 0 305.736 3.693 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC001573768532 960644395 /nfs/dbraw/zinc/64/43/95/960644395.db2.gz OALXQDBOJXVWIS-MRXNPFEDSA-N -1 0 303.402 3.670 20 0 DHADRM CC(C)OCc1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000236597654 960712456 /nfs/dbraw/zinc/71/24/56/960712456.db2.gz XTQMRKZVQNLVGG-UHFFFAOYSA-N -1 0 319.382 3.624 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-] ZINC001573783666 960719151 /nfs/dbraw/zinc/71/91/51/960719151.db2.gz PPYYYYSHTLIFTL-RRFJBIMHSA-N -1 0 309.450 3.600 20 0 DHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000236637357 960721924 /nfs/dbraw/zinc/72/19/24/960721924.db2.gz PSQRQYOGVRARSQ-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM CC(C)CN(CC(=O)[O-])C(=O)C1CCC(c2ccccc2)CC1 ZINC000236653958 960725725 /nfs/dbraw/zinc/72/57/25/960725725.db2.gz XZQHCEUABXTYLR-UHFFFAOYSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC001261425558 960729579 /nfs/dbraw/zinc/72/95/79/960729579.db2.gz COBWYFRGCHJSFW-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc2c(Cl)nccc12 ZINC001573785680 960735651 /nfs/dbraw/zinc/73/56/51/960735651.db2.gz WZYJHFWYMXBNFH-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cccc(C(F)F)c1 ZINC001573785755 960736360 /nfs/dbraw/zinc/73/63/60/960736360.db2.gz ZKBFXJXWELMDRE-UHFFFAOYSA-N -1 0 300.301 3.558 20 0 DHADRM CC1(C)CC[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000236747243 960749293 /nfs/dbraw/zinc/74/92/93/960749293.db2.gz FZJWNYIIXZHSSH-CYBMUJFWSA-N -1 0 313.353 3.520 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)o1 ZINC001574319764 960821802 /nfs/dbraw/zinc/82/18/02/960821802.db2.gz WJLKSAVNYJMJLB-UHFFFAOYSA-N -1 0 311.696 3.639 20 0 DHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])c(C(F)(F)F)o1 ZINC001574314821 960775105 /nfs/dbraw/zinc/77/51/05/960775105.db2.gz BIEABDZQTBCAAQ-UHFFFAOYSA-N -1 0 319.260 3.619 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2CCC(C)C)c1 ZINC001574315018 960777738 /nfs/dbraw/zinc/77/77/38/960777738.db2.gz GWOSKMRCRGTUBE-MRXNPFEDSA-N -1 0 303.402 3.734 20 0 DHADRM CCCC[C@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000236877857 960787629 /nfs/dbraw/zinc/78/76/29/960787629.db2.gz HSVGFGYXAQRQJW-NSHDSACASA-N -1 0 323.389 3.722 20 0 DHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC001574319676 960819801 /nfs/dbraw/zinc/81/98/01/960819801.db2.gz SBAUNHKEHCOFDB-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM Cc1cc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)ccc1Cl ZINC001574329986 960871146 /nfs/dbraw/zinc/87/11/46/960871146.db2.gz MYRZFRFAFUNSQG-INIZCTEOSA-N -1 0 308.761 3.503 20 0 DHADRM Cc1cc(COC(=O)[C@]2(C(=O)[O-])CC=CCC2)ccc1Cl ZINC001574329988 960871416 /nfs/dbraw/zinc/87/14/16/960871416.db2.gz MYRZFRFAFUNSQG-MRXNPFEDSA-N -1 0 308.761 3.503 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573809969 960879818 /nfs/dbraw/zinc/87/98/18/960879818.db2.gz ZURSCTVYEPWCNW-HOTGVXAUSA-N -1 0 319.445 3.651 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574334232 960904305 /nfs/dbraw/zinc/90/43/05/960904305.db2.gz XKTQYLQRJSKHPL-IAQYHMDHSA-N -1 0 308.349 3.629 20 0 DHADRM Cc1ccccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237384838 960924410 /nfs/dbraw/zinc/92/44/10/960924410.db2.gz RLTAQCNYHOUDLB-GFCCVEGCSA-N -1 0 315.394 3.813 20 0 DHADRM Cc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001574338424 960928758 /nfs/dbraw/zinc/92/87/58/960928758.db2.gz SRUIJLWHPJOYLI-LLVKDONJSA-N -1 0 312.797 3.517 20 0 DHADRM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cccc1C(F)(F)F ZINC000237534682 960956083 /nfs/dbraw/zinc/95/60/83/960956083.db2.gz PCYKSQOXQJZVRU-UHFFFAOYSA-N -1 0 317.307 3.843 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319845308 960957859 /nfs/dbraw/zinc/95/78/59/960957859.db2.gz CLGXNCXXGJWWQX-OLZOCXBDSA-N -1 0 315.394 3.805 20 0 DHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237605986 960971808 /nfs/dbraw/zinc/97/18/08/960971808.db2.gz MBYIXDSWHFDRDU-NSHDSACASA-N -1 0 317.772 3.871 20 0 DHADRM CC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000048595717 1013215943 /nfs/dbraw/zinc/21/59/43/1013215943.db2.gz RWFTVWDERSCTLF-INIZCTEOSA-N -1 0 317.410 3.667 20 0 DHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000322991773 1013216954 /nfs/dbraw/zinc/21/69/54/1013216954.db2.gz HXKYZOYGWFUWJQ-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001321619268 961000207 /nfs/dbraw/zinc/00/02/07/961000207.db2.gz PAPSAFKDEIPGBF-CABCVRRESA-N -1 0 313.328 3.575 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001321619271 961000843 /nfs/dbraw/zinc/00/08/43/961000843.db2.gz PAPSAFKDEIPGBF-LSDHHAIUSA-N -1 0 313.328 3.575 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574357766 961010515 /nfs/dbraw/zinc/01/05/15/961010515.db2.gz YKQCPICGIZNSMM-PRWOLLLXSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237792051 961026361 /nfs/dbraw/zinc/02/63/61/961026361.db2.gz NJAQNPGGAQFTKW-GHMZBOCLSA-N -1 0 319.357 3.636 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1)C(=O)[O-] ZINC001324625019 961038823 /nfs/dbraw/zinc/03/88/23/961038823.db2.gz PLWWGRDGZJEZNO-LBPRGKRZSA-N -1 0 315.413 3.715 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001324966000 961048967 /nfs/dbraw/zinc/04/89/67/961048967.db2.gz BDHLFRFQKLTYCF-HOCLYGCPSA-N -1 0 323.477 3.942 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000237976434 961061496 /nfs/dbraw/zinc/06/14/96/961061496.db2.gz OZCKYTUQQHUZQR-MRXNPFEDSA-N -1 0 301.386 3.570 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573840694 961069652 /nfs/dbraw/zinc/06/96/52/961069652.db2.gz HCAWDGDSYHMZAJ-CZUORRHYSA-N -1 0 318.417 3.543 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCC(F)(F)F ZINC000238011240 961075667 /nfs/dbraw/zinc/07/56/67/961075667.db2.gz REOYSPXHLRVMHA-UHFFFAOYSA-N -1 0 311.259 3.819 20 0 DHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048617783 1013231534 /nfs/dbraw/zinc/23/15/34/1013231534.db2.gz JAXMQIDSVNDXOH-SNVBAGLBSA-N -1 0 319.373 3.826 20 0 DHADRM CCCCc1ccc(CC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001573848183 961106071 /nfs/dbraw/zinc/10/60/71/961106071.db2.gz JIAHNTYYPWYPNA-UHFFFAOYSA-N -1 0 319.445 3.531 20 0 DHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccccc3)s2)CCC1 ZINC001326607719 961115752 /nfs/dbraw/zinc/11/57/52/961115752.db2.gz XEIYPYGRTPKTLC-UHFFFAOYSA-N -1 0 315.394 3.542 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000238203471 961156661 /nfs/dbraw/zinc/15/66/61/961156661.db2.gz YHZCRRVDGVNRKL-MRXNPFEDSA-N -1 0 301.386 3.570 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000238203523 961159322 /nfs/dbraw/zinc/15/93/22/961159322.db2.gz KONKHRGVXJWMCJ-GOSISDBHSA-N -1 0 323.392 3.622 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238223862 961165835 /nfs/dbraw/zinc/16/58/35/961165835.db2.gz XEBVXACJIYHJHV-LSDHHAIUSA-N -1 0 315.756 3.780 20 0 DHADRM CCCc1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1Cl ZINC001573864359 961183754 /nfs/dbraw/zinc/18/37/54/961183754.db2.gz GRFGESRVYTYILA-NHYWBVRUSA-N -1 0 323.820 3.618 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574402296 961240010 /nfs/dbraw/zinc/24/00/10/961240010.db2.gz WVNWXQSFDGFNAN-ZMSDIMECSA-N -1 0 317.429 3.699 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCC(C)(C)C(=O)[O-] ZINC001574402833 961245921 /nfs/dbraw/zinc/24/59/21/961245921.db2.gz MENXWHSVDJOWOH-UONOGXRCSA-N -1 0 317.429 3.593 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(CF)CCC2)c2ccccc12 ZINC001329215579 961247344 /nfs/dbraw/zinc/24/73/44/961247344.db2.gz PCTMESVBLDADJM-UHFFFAOYSA-N -1 0 301.317 3.616 20 0 DHADRM Cc1coc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc12 ZINC001574412265 961296315 /nfs/dbraw/zinc/29/63/15/961296315.db2.gz AAKDNAASQHQKIF-HNNXBMFYSA-N -1 0 301.342 3.571 20 0 DHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001574427189 961372564 /nfs/dbraw/zinc/37/25/64/961372564.db2.gz RXANFBLYWFPDFQ-UHFFFAOYSA-N -1 0 324.380 3.641 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000261957316 961402528 /nfs/dbraw/zinc/40/25/28/961402528.db2.gz MAXYMPFSUZUBCK-UHFFFAOYSA-N -1 0 306.406 3.602 20 0 DHADRM Cc1cc(CN[C@H](C)c2nc(C(C)(C)C)cs2)oc1C(=O)[O-] ZINC001333137652 961655564 /nfs/dbraw/zinc/65/55/64/961655564.db2.gz WIYFKPIHMNSGFA-SNVBAGLBSA-N -1 0 322.430 3.891 20 0 DHADRM CCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC001573956692 961673554 /nfs/dbraw/zinc/67/35/54/961673554.db2.gz MQGFPMKKCIODPB-JQWIXIFHSA-N -1 0 324.808 3.619 20 0 DHADRM CCc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC001573956691 961674075 /nfs/dbraw/zinc/67/40/75/961674075.db2.gz MQGFPMKKCIODPB-CMPLNLGQSA-N -1 0 324.808 3.619 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262386994 961687128 /nfs/dbraw/zinc/68/71/28/961687128.db2.gz ZJJCTCGVTRDSIR-HRCADAONSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)oc1C ZINC001333382207 961708983 /nfs/dbraw/zinc/70/89/83/961708983.db2.gz BXDMLFDXCKWDKH-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM CCn1c2ccc(C)cc2nc1NCc1cccc(C(=O)[O-])c1 ZINC001573969978 961715076 /nfs/dbraw/zinc/71/50/76/961715076.db2.gz AFUNQUVWSCTMHW-UHFFFAOYSA-N -1 0 309.369 3.675 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CC2)C2CCCCC2)c(F)c1 ZINC000262436122 961720207 /nfs/dbraw/zinc/72/02/07/961720207.db2.gz SGABHZDWAXPOHI-UHFFFAOYSA-N -1 0 319.376 3.709 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001588833174 961730817 /nfs/dbraw/zinc/73/08/17/961730817.db2.gz GPQJZCIORSQREF-CQSZACIVSA-N -1 0 314.385 3.558 20 0 DHADRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001573983619 961783510 /nfs/dbraw/zinc/78/35/10/961783510.db2.gz WFWAZHXSDWKUDJ-VMFRVMOISA-N -1 0 319.401 3.664 20 0 DHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262679661 961803995 /nfs/dbraw/zinc/80/39/95/961803995.db2.gz ADEUHRMJMMJEJK-AVGNSLFASA-N -1 0 323.820 3.750 20 0 DHADRM CC(C)[C@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCCCC2 ZINC001588842624 961823474 /nfs/dbraw/zinc/82/34/74/961823474.db2.gz KAIIHCCANXMMDJ-ARFHVFGLSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(F)ccc2O)c1 ZINC001625859641 1013297204 /nfs/dbraw/zinc/29/72/04/1013297204.db2.gz LQPXYAHYZOHZJP-LBPRGKRZSA-N -1 0 317.360 3.810 20 0 DHADRM Cc1cc(NC(=O)[C@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC001336104919 961949107 /nfs/dbraw/zinc/94/91/07/961949107.db2.gz JOMRBHIEKXPVPG-SNVBAGLBSA-N -1 0 319.307 3.714 20 0 DHADRM CC(C)(C)c1nc(CN[C@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001339116498 962000391 /nfs/dbraw/zinc/00/03/91/962000391.db2.gz DGZPZTUGFMWJBD-KRWDZBQOSA-N -1 0 318.442 3.530 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001588861636 962001034 /nfs/dbraw/zinc/00/10/34/962001034.db2.gz ZZEACGHXCQJCCK-FNORWQNLSA-N -1 0 319.401 3.666 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C2CC2)nc1C ZINC001339509129 962033014 /nfs/dbraw/zinc/03/30/14/962033014.db2.gz ISQBEXSRJRRFEF-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM CCc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000323037458 1013307745 /nfs/dbraw/zinc/30/77/45/1013307745.db2.gz ZOVPOKPFAOJWSV-UHFFFAOYSA-N -1 0 315.344 3.658 20 0 DHADRM CC(C)COc1ccc([C@@H](C)OC(=O)CCCC(=O)[O-])cc1 ZINC001588877615 962132822 /nfs/dbraw/zinc/13/28/22/962132822.db2.gz GQYAKZRWRGDSCL-CYBMUJFWSA-N -1 0 308.374 3.581 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H](C)Cc1ccsc1 ZINC000263045594 962173510 /nfs/dbraw/zinc/17/35/10/962173510.db2.gz RSJGZNFYXOWBKC-JTQLQIEISA-N -1 0 323.439 3.601 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2C)CC1 ZINC000263048003 962178144 /nfs/dbraw/zinc/17/81/44/962178144.db2.gz FDVHRDFDAVKUTR-HDJSIYSDSA-N -1 0 319.401 3.613 20 0 DHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263107519 962259034 /nfs/dbraw/zinc/25/90/34/962259034.db2.gz ADAJEXWVZFTUJB-DZGCQCFKSA-N -1 0 321.417 3.787 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC001588906126 962274966 /nfs/dbraw/zinc/27/49/66/962274966.db2.gz LDLDTDTVXRPLDT-UHFFFAOYSA-N -1 0 317.410 3.575 20 0 DHADRM CC(C)c1[nH]ccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001345777990 962291131 /nfs/dbraw/zinc/29/11/31/962291131.db2.gz ABYJERKWNHWKOE-GFCCVEGCSA-N -1 0 314.385 3.654 20 0 DHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCCCCc1cccs1 ZINC001345796934 962304336 /nfs/dbraw/zinc/30/43/36/962304336.db2.gz FXQKHBFSCRSAAV-DZGCQCFKSA-N -1 0 323.458 3.611 20 0 DHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001347474690 962387327 /nfs/dbraw/zinc/38/73/27/962387327.db2.gz PPZSXBRYSUKLHV-DTORHVGOSA-N -1 0 313.806 3.501 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000263268930 962406713 /nfs/dbraw/zinc/40/67/13/962406713.db2.gz HXFZIACQOBORSN-DLBZAZTESA-N -1 0 317.429 3.549 20 0 DHADRM C[C@]1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1(F)F ZINC000263281390 962420226 /nfs/dbraw/zinc/42/02/26/962420226.db2.gz XJWSTLBTTDQKQR-CYBMUJFWSA-N -1 0 311.309 3.583 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000263306630 962449673 /nfs/dbraw/zinc/44/96/73/962449673.db2.gz FKDFVRUATYLLGP-ABAIWWIYSA-N -1 0 309.381 3.530 20 0 DHADRM O=C([O-])CCCCC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000263346739 962499519 /nfs/dbraw/zinc/49/95/19/962499519.db2.gz ZGAROMBQJBUVIF-UHFFFAOYSA-N -1 0 319.376 3.629 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000263354123 962507725 /nfs/dbraw/zinc/50/77/25/962507725.db2.gz WKKXVOMBRBHVBN-LPHOPBHVSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263363259 962519500 /nfs/dbraw/zinc/51/95/00/962519500.db2.gz YZXCRJXYEDTQLE-JEBQAFNWSA-N -1 0 323.392 3.925 20 0 DHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1 ZINC000655580261 1013350000 /nfs/dbraw/zinc/35/00/00/1013350000.db2.gz JYXDVVZDHADHEY-BFJAYTPKSA-N -1 0 323.477 3.845 20 0 DHADRM Cn1c2ccc(NC3CCC(C(=O)[O-])CC3)cc2nc1C1CC1 ZINC000263392161 962552871 /nfs/dbraw/zinc/55/28/71/962552871.db2.gz FMSFTCQWHSMZGC-UHFFFAOYSA-N -1 0 313.401 3.506 20 0 DHADRM CC(C)[C@@H](NC(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC001588949603 962565412 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C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000321129863 970747053 /nfs/dbraw/zinc/74/70/53/970747053.db2.gz RMIGDYKKTZJUIU-CQSZACIVSA-N -1 0 318.417 3.506 20 0 DHADRM CSc1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1C ZINC001604971766 972565349 /nfs/dbraw/zinc/56/53/49/972565349.db2.gz OJIKXRDMZQDANZ-UHFFFAOYSA-N -1 0 307.415 3.691 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)o1 ZINC001604157365 972569347 /nfs/dbraw/zinc/56/93/47/972569347.db2.gz DAZCZNZFXWRONY-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NC2(C3CCCCC3)CC2)c1 ZINC001605857381 972606560 /nfs/dbraw/zinc/60/65/60/972606560.db2.gz JDBBZCPRYYLSIH-UHFFFAOYSA-N -1 0 302.374 3.619 20 0 DHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)F)c1ccccc1 ZINC001605863542 972620255 /nfs/dbraw/zinc/62/02/55/972620255.db2.gz WMPBLCSQEAAOKQ-ZDUSSCGKSA-N -1 0 320.295 3.572 20 0 DHADRM CC1(C)CCC(=CC(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001603323528 972658434 /nfs/dbraw/zinc/65/84/34/972658434.db2.gz AFSNAWCDEHJOGM-UHFFFAOYSA-N -1 0 301.386 3.528 20 0 DHADRM O=C([O-])[C@@H](C(=O)OCc1ccc(Cl)c2ccccc12)C1CC1 ZINC001605900277 972718278 /nfs/dbraw/zinc/71/82/78/972718278.db2.gz FTUOMLRPNNRRIV-HNNXBMFYSA-N -1 0 318.756 3.647 20 0 DHADRM Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001605081677 972718591 /nfs/dbraw/zinc/71/85/91/972718591.db2.gz LXKYLSWDMSCWIT-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCCC(=O)[O-] ZINC001603340721 972736037 /nfs/dbraw/zinc/73/60/37/972736037.db2.gz ADSFAZHPVJKDHL-KRWDZBQOSA-N -1 0 323.820 3.519 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC001605132459 972798988 /nfs/dbraw/zinc/79/89/88/972798988.db2.gz OTBWQWKKUSELSO-UHFFFAOYSA-N -1 0 315.756 3.503 20 0 DHADRM Cc1cc(C)c(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)n1 ZINC001605153069 972842712 /nfs/dbraw/zinc/84/27/12/972842712.db2.gz TYKXKKADXRSYRT-UHFFFAOYSA-N -1 0 313.357 3.657 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CCCC[C@@H]2C)c(C(=O)[O-])c1 ZINC000656156938 1014063614 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CC(C)Oc1c(NC(=O)C[C@@H]2CCC[C@@H]2C)cccc1C(=O)[O-] ZINC001591741772 975758168 /nfs/dbraw/zinc/75/81/68/975758168.db2.gz QFKHRINWHWVVKN-STQMWFEESA-N -1 0 319.401 3.937 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000659161657 975760236 /nfs/dbraw/zinc/76/02/36/975760236.db2.gz ZPRLIQCXYZQPMF-TZMCWYRMSA-N -1 0 301.386 3.784 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659192852 975792039 /nfs/dbraw/zinc/79/20/39/975792039.db2.gz GWOAXBYXIINBIN-XUWVNRHRSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)C1CCC1 ZINC001591762438 975859343 /nfs/dbraw/zinc/85/93/43/975859343.db2.gz WZIAPIOYVJLFKG-LLVKDONJSA-N -1 0 305.374 3.547 20 0 DHADRM Cc1nc(C(C)C)ccc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791167 975878808 /nfs/dbraw/zinc/87/88/08/975878808.db2.gz UKBORSMLZHFTSN-UHFFFAOYSA-N -1 0 310.397 3.727 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CN1Cc2cc(F)c(F)cc2C1 ZINC000659796164 975886953 /nfs/dbraw/zinc/88/69/53/975886953.db2.gz SDXJEEZDDOLJSF-UHFFFAOYSA-N -1 0 309.337 3.549 20 0 DHADRM O=C([O-])CCC1CCN(c2ccnc3c(Cl)cccc23)CC1 ZINC000662884622 975911094 /nfs/dbraw/zinc/91/10/94/975911094.db2.gz XOENEBFRXUDMKL-UHFFFAOYSA-N -1 0 318.804 3.969 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccco2)c(C(=O)[O-])c1 ZINC001591780726 975948518 /nfs/dbraw/zinc/94/85/18/975948518.db2.gz NOXIOXIVZZGZSY-LLVKDONJSA-N -1 0 317.341 3.507 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C ZINC000666364881 975960814 /nfs/dbraw/zinc/96/08/14/975960814.db2.gz LABYGFVWEAZGEJ-SNVBAGLBSA-N -1 0 301.342 3.645 20 0 DHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000668273503 975980623 /nfs/dbraw/zinc/98/06/23/975980623.db2.gz CFJSJKUBLUPFTN-XPTSAGLGSA-N -1 0 321.398 3.599 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1 ZINC000668276490 975982248 /nfs/dbraw/zinc/98/22/48/975982248.db2.gz OLOIIQSCTXHSSB-UHFFFAOYSA-N -1 0 323.392 3.762 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@@H]1C ZINC000668301451 975991088 /nfs/dbraw/zinc/99/10/88/975991088.db2.gz KSKSYGUNBJNMPE-ZIAGYGMSSA-N -1 0 323.392 3.922 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000668320563 975997716 /nfs/dbraw/zinc/99/77/16/975997716.db2.gz CFQGUYOMGABCBU-AWEZNQCLSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000668322634 975997841 /nfs/dbraw/zinc/99/78/41/975997841.db2.gz AJODRZICVAZWDE-INIZCTEOSA-N -1 0 317.429 3.602 20 0 DHADRM CCC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC000669434097 976000618 /nfs/dbraw/zinc/00/06/18/976000618.db2.gz IZDPMZYBKDSNRY-HIFRSBDPSA-N -1 0 303.402 3.664 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)N(CCC(=O)[O-])Cc2ccccc2)C1 ZINC000675946553 976016616 /nfs/dbraw/zinc/01/66/16/976016616.db2.gz PCUNAXDYHUSMPH-NVXWUHKLSA-N -1 0 317.429 3.706 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679106680 976048353 /nfs/dbraw/zinc/04/83/53/976048353.db2.gz SUYSWVRUSBEYRO-JKSUJKDBSA-N -1 0 323.477 3.942 20 0 DHADRM CC(C)[C@@H]1C[C@@H](CNc2cncc(C(=O)[O-])n2)c2ccccc21 ZINC001591846854 976132050 /nfs/dbraw/zinc/13/20/50/976132050.db2.gz YZUFEPVTBMCBEK-WFASDCNBSA-N -1 0 311.385 3.514 20 0 DHADRM CC(C)c1[nH]c(CNc2c[nH]nc2-c2ccccc2)cc1C(=O)[O-] ZINC001591917824 976378572 /nfs/dbraw/zinc/37/85/72/976378572.db2.gz FBQXKPPRLQDJES-UHFFFAOYSA-N -1 0 324.384 3.839 20 0 DHADRM CC(C)c1cc(C(=O)NCCCCC(=O)[O-])c(O)c(C(C)C)c1 ZINC001591930302 976418771 /nfs/dbraw/zinc/41/87/71/976418771.db2.gz DJIMDVCDKPZWDF-UHFFFAOYSA-N -1 0 321.417 3.624 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591934764 976445135 /nfs/dbraw/zinc/44/51/35/976445135.db2.gz FBQWIHQMRNSNBX-PWSUYJOCSA-N -1 0 324.808 3.838 20 0 DHADRM CC(C)c1ccc(-c2ccc([S@](=O)CC(=O)[O-])cc2)cc1 ZINC001591936079 976456674 /nfs/dbraw/zinc/45/66/74/976456674.db2.gz OUMCWUNIBZPURA-OAQYLSRUSA-N -1 0 302.395 3.669 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001591942182 976467009 /nfs/dbraw/zinc/46/70/09/976467009.db2.gz MNQAACZGKRSFSR-OAHLLOKOSA-N -1 0 323.820 3.933 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1Cl ZINC001591942181 976467158 /nfs/dbraw/zinc/46/71/58/976467158.db2.gz MNQAACZGKRSFSR-HNNXBMFYSA-N -1 0 323.820 3.933 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC001591942759 976472671 /nfs/dbraw/zinc/47/26/71/976472671.db2.gz IFAVUYOBQIFHGD-CYBMUJFWSA-N -1 0 311.809 3.693 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1Cl ZINC001591947828 976495303 /nfs/dbraw/zinc/49/53/03/976495303.db2.gz YOSJCWCOLKGGHO-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2c2cc(C(=O)[O-])ncn2)cc1 ZINC001591949107 976506262 /nfs/dbraw/zinc/50/62/62/976506262.db2.gz RRHAMYYNIBJZDK-INIZCTEOSA-N -1 0 311.385 3.640 20 0 DHADRM CC(C)c1ccc(Cc2noc(-c3cncc(C(=O)[O-])c3)n2)cc1 ZINC001591957677 976533025 /nfs/dbraw/zinc/53/30/25/976533025.db2.gz YVXIQPHKZUKARS-UHFFFAOYSA-N -1 0 323.352 3.544 20 0 DHADRM CC(C)c1ccc(NC(=O)/C=C\c2cccnc2)c(C(=O)[O-])c1 ZINC001591963334 976554230 /nfs/dbraw/zinc/55/42/30/976554230.db2.gz ZPIJNNXSFDNEHN-YVMONPNESA-N -1 0 310.353 3.555 20 0 DHADRM CC(C)c1ccc(NC(=O)Cc2ccccc2F)c(C(=O)[O-])c1 ZINC001591965751 976560011 /nfs/dbraw/zinc/56/00/11/976560011.db2.gz PJDPURZVMDKTHP-UHFFFAOYSA-N -1 0 315.344 3.829 20 0 DHADRM CC(C)c1ncc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000417569476 1014336834 /nfs/dbraw/zinc/33/68/34/1014336834.db2.gz VDKYBVBNXIWRSR-ZDUSSCGKSA-N -1 0 324.833 3.835 20 0 DHADRM CC(C)c1ccc2nc(Cc3ccc(C(=O)[O-])cc3)[nH]c(=O)c2c1 ZINC001591980171 976592219 /nfs/dbraw/zinc/59/22/19/976592219.db2.gz CIDNTCZRKDRLCU-UHFFFAOYSA-N -1 0 322.364 3.748 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001591982710 976600189 /nfs/dbraw/zinc/60/01/89/976600189.db2.gz BOAIYVJLFBVRQD-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001591982769 976601077 /nfs/dbraw/zinc/60/10/77/976601077.db2.gz GCRMQERNLNZYDZ-KRWDZBQOSA-N -1 0 317.429 3.963 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001591995112 976638914 /nfs/dbraw/zinc/63/89/14/976638914.db2.gz SFGAGBSLSWPUGU-ZIAGYGMSSA-N -1 0 303.402 3.664 20 0 DHADRM CC(C)c1cnc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC001592003197 976659103 /nfs/dbraw/zinc/65/91/03/976659103.db2.gz ZIGTUBRZHCDPAP-UHFFFAOYSA-N -1 0 312.728 3.901 20 0 DHADRM CC(C)c1nc([C@H](C)NCc2ccccc2CC(=O)[O-])cs1 ZINC001592014664 976693916 /nfs/dbraw/zinc/69/39/16/976693916.db2.gz DIIMIPPWKUBYGL-LBPRGKRZSA-N -1 0 318.442 3.744 20 0 DHADRM CC(C)c1nc(CNc2cc3ccccc3c(C(=O)[O-])c2)no1 ZINC001592020130 976708271 /nfs/dbraw/zinc/70/82/71/976708271.db2.gz PPOPYVPSTHKLOC-UHFFFAOYSA-N -1 0 311.341 3.657 20 0 DHADRM CC(C)c1nc(NC(=O)CC2(C)CCCC2)sc1C(=O)[O-] ZINC001592021479 976714724 /nfs/dbraw/zinc/71/47/24/976714724.db2.gz DQYJTYNFXPCABW-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC(C)c1nc(NCC(C)(C)CC(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030565 976737704 /nfs/dbraw/zinc/73/77/04/976737704.db2.gz VHMIJYRZEFDVMF-UHFFFAOYSA-N -1 0 307.438 3.810 20 0 DHADRM CC(C)c1nnc(COc2cccc3sc(C(=O)[O-])cc32)o1 ZINC001592061040 976812497 /nfs/dbraw/zinc/81/24/97/976812497.db2.gz JYRNGOKJRXUETJ-UHFFFAOYSA-N -1 0 318.354 3.685 20 0 DHADRM CC(C)c1occc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592102699 976873213 /nfs/dbraw/zinc/87/32/13/976873213.db2.gz SDKPWVMSXMPYQQ-UHFFFAOYSA-N -1 0 312.325 3.835 20 0 DHADRM CC(C)c1occc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001592102858 976875125 /nfs/dbraw/zinc/87/51/25/976875125.db2.gz XEBDRNNFISDNOM-UHFFFAOYSA-N -1 0 323.732 3.713 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@]2(C)C(C)C)nc1C(=O)[O-] ZINC001592108175 976890843 /nfs/dbraw/zinc/89/08/43/976890843.db2.gz LTCZPZCQCHINGH-RFAUZJTJSA-N -1 0 310.419 3.585 20 0 DHADRM CC(C)c1sc(NC(=O)C2(C)CCCCC2)nc1C(=O)[O-] ZINC001592108834 976896705 /nfs/dbraw/zinc/89/67/05/976896705.db2.gz XCRPJIVRWMINGE-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@H]2C2CCCC2)nc1C(=O)[O-] ZINC001592111674 976902430 /nfs/dbraw/zinc/90/24/30/976902430.db2.gz JTPVWJUSPRETAG-QWRGUYRKSA-N -1 0 322.430 3.730 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001592180430 977093304 /nfs/dbraw/zinc/09/33/04/977093304.db2.gz BODVRSRNMXWUNJ-FTXHTYHOSA-N -1 0 321.461 3.839 20 0 DHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)C1(C2CCCCC2)CCCCC1 ZINC001592195595 977182161 /nfs/dbraw/zinc/18/21/61/977182161.db2.gz WXBGCCJSHWSZJZ-IWMPZKFUSA-N -1 0 307.434 3.663 20 0 DHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC001592227752 977425900 /nfs/dbraw/zinc/42/59/00/977425900.db2.gz SJWHLWZYKKYORW-HNNXBMFYSA-N -1 0 317.429 3.706 20 0 DHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCCC1 ZINC001592245513 977471138 /nfs/dbraw/zinc/47/11/38/977471138.db2.gz GFZIEGFZBQMTCR-CQSZACIVSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C1CCCCC1 ZINC001592255133 977494331 /nfs/dbraw/zinc/49/43/31/977494331.db2.gz YXFYZSUPXISZMV-WMLDXEAASA-N -1 0 323.477 3.990 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)CC(C)(C)C ZINC001592259845 977499803 /nfs/dbraw/zinc/49/98/03/977499803.db2.gz RKWGYPQVSGYLLD-GOEBONIOSA-N -1 0 319.445 3.651 20 0 DHADRM CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711490531 977551313 /nfs/dbraw/zinc/55/13/13/977551313.db2.gz GODGBVANZFDHAJ-SNVBAGLBSA-N -1 0 307.337 3.609 20 0 DHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C2=CCCC2)cc1)C1CC1 ZINC001592304432 977665288 /nfs/dbraw/zinc/66/52/88/977665288.db2.gz NGXRMEGOVCXNKD-LJQANCHMSA-N -1 0 313.397 3.627 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001592370714 977887342 /nfs/dbraw/zinc/88/73/42/977887342.db2.gz KVGNBMUETCVYRZ-GOEBONIOSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001592375646 977911763 /nfs/dbraw/zinc/91/17/63/977911763.db2.gz OWFXSFHNTXQKDG-HOCLYGCPSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1c2ccccc2C(C)(C)C[C@@H]1C ZINC001592375737 977912671 /nfs/dbraw/zinc/91/26/71/977912671.db2.gz UYGNZSCJLWBYTM-OLZOCXBDSA-N -1 0 303.402 3.590 20 0 DHADRM CC(C)[C@@H](OC(=O)C[C@H](C)CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001592394267 977943429 /nfs/dbraw/zinc/94/34/29/977943429.db2.gz AWYKFNPUIGOPHR-QLJPJBMISA-N -1 0 314.328 3.706 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H](C)c1cccc(Cl)c1F ZINC001592396567 977959547 /nfs/dbraw/zinc/95/95/47/977959547.db2.gz WTVBGTJIQGEYIC-BDAKNGLRSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC001592400460 977964024 /nfs/dbraw/zinc/96/40/24/977964024.db2.gz CTRPZHLMHSLCNI-CQSZACIVSA-N -1 0 312.365 3.898 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1cccc(C(=O)C(F)(F)F)c1 ZINC001592421874 978033641 /nfs/dbraw/zinc/03/36/41/978033641.db2.gz ANNXZZBBZLGTDA-MRVPVSSYSA-N -1 0 306.305 3.528 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001592423901 978042765 /nfs/dbraw/zinc/04/27/65/978042765.db2.gz JHQUABMVQVKIJS-ZCFIWIBFSA-N -1 0 301.129 3.622 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC001592430213 978061759 /nfs/dbraw/zinc/06/17/59/978061759.db2.gz WFXGWVCOGIUSNC-BYCMXARLSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccco1 ZINC001592433036 978063541 /nfs/dbraw/zinc/06/35/41/978063541.db2.gz ACCIKEGOICPUDD-VIFPVBQESA-N -1 0 308.717 3.730 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC001592433072 978064355 /nfs/dbraw/zinc/06/43/55/978064355.db2.gz BIKKZMIVCHQBGI-VHSXEESVSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001592439913 978093632 /nfs/dbraw/zinc/09/36/32/978093632.db2.gz PVUXOQDRTITPNP-RISCZKNCSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC1CCC1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592459502 978178834 /nfs/dbraw/zinc/17/88/34/978178834.db2.gz MNKYIASYCVRHJJ-SECBINFHSA-N -1 0 310.781 3.738 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592466547 978213026 /nfs/dbraw/zinc/21/30/26/978213026.db2.gz YLLNXETZMGHQQI-CZUORRHYSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001592466545 978213095 /nfs/dbraw/zinc/21/30/95/978213095.db2.gz YLLNXETZMGHQQI-BBRMVZONSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H](CCC(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001592470868 978225993 /nfs/dbraw/zinc/22/59/93/978225993.db2.gz QYZQOTPDXNYQJC-AWEZNQCLSA-N -1 0 312.365 3.803 20 0 DHADRM C[C@@H](CCC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592470958 978227154 /nfs/dbraw/zinc/22/71/54/978227154.db2.gz OMHXGMHAGCXQLL-HNNXBMFYSA-N -1 0 317.429 3.816 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592476710 978237576 /nfs/dbraw/zinc/23/75/76/978237576.db2.gz BTKVHZFPMXKKMZ-YCMKEVRSSA-N -1 0 321.461 3.887 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592477031 978240256 /nfs/dbraw/zinc/24/02/56/978240256.db2.gz CXSLVCVOVGKFLV-GFCCVEGCSA-N -1 0 303.402 3.689 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001592478257 978250712 /nfs/dbraw/zinc/25/07/12/978250712.db2.gz RZEGVERVTHBOJY-OCCSQVGLSA-N -1 0 303.402 3.664 20 0 DHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000580945283 1014471658 /nfs/dbraw/zinc/47/16/58/1014471658.db2.gz YRVHFVWZJACZFL-JTQLQIEISA-N -1 0 321.423 3.874 20 0 DHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592492496 978287756 /nfs/dbraw/zinc/28/77/56/978287756.db2.gz UVVNHOAIHGIOBV-HOCLYGCPSA-N -1 0 319.445 3.651 20 0 DHADRM CC(=O)c1csc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000736196896 978308972 /nfs/dbraw/zinc/30/89/72/978308972.db2.gz QXCXPKUKXZDIIC-UHFFFAOYSA-N -1 0 324.741 3.522 20 0 DHADRM C[C@H](CCNC(=O)c1ccc(C(=O)[O-])cc1F)CC(C)(C)C ZINC001592520729 978369768 /nfs/dbraw/zinc/36/97/68/978369768.db2.gz IVZRDLSOZKXUQE-LLVKDONJSA-N -1 0 309.381 3.716 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736983227 978370839 /nfs/dbraw/zinc/37/08/39/978370839.db2.gz BRUPMVVZDVRKJX-ZDUSSCGKSA-N -1 0 303.402 3.834 20 0 DHADRM CCCC[C@@H](CC)CNC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000736982105 978370875 /nfs/dbraw/zinc/37/08/75/978370875.db2.gz LONOYNBSRUVSGX-GFCCVEGCSA-N -1 0 308.447 3.888 20 0 DHADRM C[C@H](CCO)S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592529794 978390285 /nfs/dbraw/zinc/39/02/85/978390285.db2.gz VGDMXBGHBBJLNI-RDDDGLTNSA-N -1 0 309.214 3.623 20 0 DHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592540325 978423562 /nfs/dbraw/zinc/42/35/62/978423562.db2.gz RKOIFZJGIGSKGA-LBPRGKRZSA-N -1 0 316.328 3.698 20 0 DHADRM C[C@@H](CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1CC1)C(=O)[O-] ZINC001592557393 978445340 /nfs/dbraw/zinc/44/53/40/978445340.db2.gz BVMCREITSRJNOJ-LBPRGKRZSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H](CN(C(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C)C1CC1)C(=O)[O-] ZINC001592557822 978448603 /nfs/dbraw/zinc/44/86/03/978448603.db2.gz SGZMRDQNZCHVJZ-CLRNJFKTSA-N -1 0 321.461 3.717 20 0 DHADRM C[C@H](CN(C)C(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCCC1 ZINC001592574069 978468460 /nfs/dbraw/zinc/46/84/60/978468460.db2.gz DZQBAFPLZOXXNH-GFCCVEGCSA-N -1 0 321.392 3.812 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738150054 978486932 /nfs/dbraw/zinc/48/69/32/978486932.db2.gz BUULNBJVNVUXKL-GFCCVEGCSA-N -1 0 313.357 3.684 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001592579468 978488970 /nfs/dbraw/zinc/48/89/70/978488970.db2.gz JHDBBZXNWFGEAZ-ZDUSSCGKSA-N -1 0 303.402 3.673 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1=CCCCCC1)C(=O)[O-] ZINC001592602047 978538183 /nfs/dbraw/zinc/53/81/83/978538183.db2.gz ILXJEEZILQJTRP-HNNXBMFYSA-N -1 0 315.413 3.626 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C)C(=O)[O-] ZINC001592602731 978541889 /nfs/dbraw/zinc/54/18/89/978541889.db2.gz YEMZHVHQLRYYGF-HOCLYGCPSA-N -1 0 317.429 3.562 20 0 DHADRM CCc1nc(=N[C@@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000441812041 1014509628 /nfs/dbraw/zinc/50/96/28/1014509628.db2.gz DKNIGJIZLIQXEK-QMMMGPOBSA-N -1 0 317.336 3.594 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000761653240 978713525 /nfs/dbraw/zinc/71/35/25/978713525.db2.gz WLBRHSYPZZLOKU-GHOSXJJBSA-N -1 0 317.429 3.973 20 0 DHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\C2CC2)cc1 ZINC000767026085 978731879 /nfs/dbraw/zinc/73/18/79/978731879.db2.gz TWFOICATYFHUSF-BCTQVIJGSA-N -1 0 315.413 3.582 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C ZINC000767202567 978736667 /nfs/dbraw/zinc/73/66/67/978736667.db2.gz VGUYDWJZWHZSNV-JSGCOSHPSA-N -1 0 305.349 3.701 20 0 DHADRM CC[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000776539706 978751804 /nfs/dbraw/zinc/75/18/04/978751804.db2.gz XMWYXSDINHJJKQ-CQSZACIVSA-N -1 0 312.369 3.645 20 0 DHADRM CCCCC[C@H](NC(=O)/C=C/c1ccc(Cl)s1)C(=O)[O-] ZINC000776662032 978767089 /nfs/dbraw/zinc/76/70/89/978767089.db2.gz ULPXEJCDNITHBW-DJYGCBNOSA-N -1 0 315.822 3.564 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CCCCCC1)c1cccc(Cl)c1 ZINC000776674520 978768849 /nfs/dbraw/zinc/76/88/49/978768849.db2.gz UDRVTZTUZTYBES-OAHLLOKOSA-N -1 0 323.820 3.942 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000811819297 978863024 /nfs/dbraw/zinc/86/30/24/978863024.db2.gz NCYVYNMZOUKXFT-SWLSCSKDSA-N -1 0 321.804 3.737 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811819772 978864056 /nfs/dbraw/zinc/86/40/56/978864056.db2.gz WHLJXMHVQFSWFM-QWRGUYRKSA-N -1 0 309.793 3.689 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820877 978864809 /nfs/dbraw/zinc/86/48/09/978864809.db2.gz ODURNFMRTMAEJS-HZMBPMFUSA-N -1 0 323.820 3.983 20 0 DHADRM C/C(=C/C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)C(C)(C)C ZINC000823340969 978932392 /nfs/dbraw/zinc/93/23/92/978932392.db2.gz GHCPSOIIBVROME-ZVBPTUHVSA-N -1 0 321.392 3.624 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160758256 1014545966 /nfs/dbraw/zinc/54/59/66/1014545966.db2.gz OITKCSBOBXTEMQ-UHFFFAOYSA-N -1 0 302.330 3.816 20 0 DHADRM O=C([O-])c1sccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000833096367 979080789 /nfs/dbraw/zinc/08/07/89/979080789.db2.gz MUZPWSJMWAGQCB-OWOJBTEDSA-N -1 0 305.330 3.627 20 0 DHADRM C[C@@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC001592682950 979108048 /nfs/dbraw/zinc/10/80/48/979108048.db2.gz JAVSQDLRXPHCRR-VIFPVBQESA-N -1 0 318.398 3.767 20 0 DHADRM CC[C@@H](C)n1nc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001595022727 979109111 /nfs/dbraw/zinc/10/91/11/979109111.db2.gz DDWOUDPDAWCZQL-BMIGLBTASA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@@H](CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-])C(C)C ZINC001595029379 979156524 /nfs/dbraw/zinc/15/65/24/979156524.db2.gz AAGMCYRRPIHJTJ-HOCLYGCPSA-N -1 0 305.418 3.955 20 0 DHADRM CC[C@H](CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC001595030054 979163552 /nfs/dbraw/zinc/16/35/52/979163552.db2.gz KOVMWQLRCCARQV-MRXNPFEDSA-N -1 0 319.445 3.951 20 0 DHADRM CC[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001595033224 979174085 /nfs/dbraw/zinc/17/40/85/979174085.db2.gz FONJABYMYWEYBF-GOEBONIOSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC001595033626 979176690 /nfs/dbraw/zinc/17/66/90/979176690.db2.gz OHJXBJSCNBHOHB-DZGCQCFKSA-N -1 0 323.408 3.920 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595035236 979181958 /nfs/dbraw/zinc/18/19/58/979181958.db2.gz AWMRPVWVKHSRNX-LEJCZOIISA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001595035305 979183479 /nfs/dbraw/zinc/18/34/79/979183479.db2.gz CAVXGYVBCIQQHH-JTQLQIEISA-N -1 0 314.328 3.779 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595036220 979191652 /nfs/dbraw/zinc/19/16/52/979191652.db2.gz PNCZQSIBXSKHTR-KBXCAEBGSA-N -1 0 305.418 3.565 20 0 DHADRM CC[C@@H](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)C(C)C ZINC001595037311 979205977 /nfs/dbraw/zinc/20/59/77/979205977.db2.gz YSQWOFQPBNDPOJ-VIFPVBQESA-N -1 0 313.781 3.755 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595038067 979206854 /nfs/dbraw/zinc/20/68/54/979206854.db2.gz CFXYTZCWVYLJJP-LLVKDONJSA-N -1 0 323.355 3.649 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595041706 979227815 /nfs/dbraw/zinc/22/78/15/979227815.db2.gz CRBCGWRLFLRESW-SSDOTTSWSA-N -1 0 305.708 3.658 20 0 DHADRM C[C@H](CNc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001592729888 979246760 /nfs/dbraw/zinc/24/67/60/979246760.db2.gz SZZCSERNQKLUNS-SCSAIBSYSA-N -1 0 317.094 3.540 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)/C(F)=C/C2CCCCC2)c1 ZINC000836717065 979248964 /nfs/dbraw/zinc/24/89/64/979248964.db2.gz RJEPCDXTMBNKAB-GDNBJRDFSA-N -1 0 305.349 3.686 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 ZINC000836725535 979249839 /nfs/dbraw/zinc/24/98/39/979249839.db2.gz YSNMCTXQUNTCSG-AYYGCFCKSA-N -1 0 311.397 3.524 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001595048693 979266779 /nfs/dbraw/zinc/26/67/79/979266779.db2.gz HZASOQOVLMXKGL-UHFFFAOYSA-N -1 0 311.466 3.989 20 0 DHADRM CCC(CC)(CC)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595057871 979304023 /nfs/dbraw/zinc/30/40/23/979304023.db2.gz OTOMKFJURMUACQ-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CCC(CC)(CCOC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595059615 979308341 /nfs/dbraw/zinc/30/83/41/979308341.db2.gz HTGJBTFSCDLLMZ-QWRGUYRKSA-N -1 0 324.339 3.789 20 0 DHADRM CCC(CC)(CNC(=O)/C=C(\C)c1cccc(Cl)c1)C(=O)[O-] ZINC001595064608 979326672 /nfs/dbraw/zinc/32/66/72/979326672.db2.gz XDAFALHNDNNRFX-FMIVXFBMSA-N -1 0 323.820 3.751 20 0 DHADRM CCC(CC)(CNC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001595075183 979348747 /nfs/dbraw/zinc/34/87/47/979348747.db2.gz PYRIYYOQLARYOC-UHFFFAOYSA-N -1 0 317.429 3.965 20 0 DHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595098079 979399845 /nfs/dbraw/zinc/39/98/45/979399845.db2.gz HZFXTPPDTJFKLP-TXEJJXNPSA-N -1 0 323.820 3.582 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)/C=C/C1CCCCCC1)c1cccs1 ZINC000846113437 979403875 /nfs/dbraw/zinc/40/38/75/979403875.db2.gz KSYMEJUOFVRWRU-ATWMFIQVSA-N -1 0 321.442 3.907 20 0 DHADRM Cc1cc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000846236558 979417172 /nfs/dbraw/zinc/41/71/72/979417172.db2.gz TZOJBOPHVHOYFO-OAHLLOKOSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000846236128 979417209 /nfs/dbraw/zinc/41/72/09/979417209.db2.gz OCMNVNKRHHDOLM-HNNXBMFYSA-N -1 0 320.776 3.672 20 0 DHADRM CCC(CC)[C@H](CCNc1ncc(C(=O)[O-])cc1Cl)OC ZINC001595106570 979434069 /nfs/dbraw/zinc/43/40/69/979434069.db2.gz RQPDAFVKGYCTCK-ZDUSSCGKSA-N -1 0 314.813 3.686 20 0 DHADRM O=C([O-])c1cc(NCc2cc3n(n2)CCCC3)cc2ccccc21 ZINC000846778932 979465645 /nfs/dbraw/zinc/46/56/45/979465645.db2.gz APNQYWRIBSHVCV-UHFFFAOYSA-N -1 0 321.380 3.683 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593058 979501797 /nfs/dbraw/zinc/50/17/97/979501797.db2.gz KWUDMFKBHHDING-VURMDHGXSA-N -1 0 321.417 3.912 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595125576 979508469 /nfs/dbraw/zinc/50/84/69/979508469.db2.gz AURCNRZFQGGVHR-HNNXBMFYSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595125794 979511151 /nfs/dbraw/zinc/51/11/51/979511151.db2.gz JPPBLKOSCJJRAT-NSHDSACASA-N -1 0 324.808 3.978 20 0 DHADRM CCC(CC)n1nccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595126532 979519142 /nfs/dbraw/zinc/51/91/42/979519142.db2.gz WLHLSXNMDKCLLW-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM C[C@H](CSc1ccccc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC001592831745 979558436 /nfs/dbraw/zinc/55/84/36/979558436.db2.gz DSTZCKUAYBUUCV-CYBMUJFWSA-N -1 0 323.458 3.517 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000852938434 979585250 /nfs/dbraw/zinc/58/52/50/979585250.db2.gz IOBRJYANYZULQN-QZTJIDSGSA-N -1 0 323.392 3.836 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000856993981 979621488 /nfs/dbraw/zinc/62/14/88/979621488.db2.gz ROYOZCQKKRLVNL-GHMZBOCLSA-N -1 0 312.435 3.625 20 0 DHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001592854174 979649901 /nfs/dbraw/zinc/64/99/01/979649901.db2.gz NLCYNOCXUCWGIM-YGONEPDPSA-N -1 0 322.376 3.581 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000864101328 979684878 /nfs/dbraw/zinc/68/48/78/979684878.db2.gz UBRZHRSTKUAVOL-CQSZACIVSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000864103748 979688841 /nfs/dbraw/zinc/68/88/41/979688841.db2.gz PQZXENYPAXPDLW-LLVKDONJSA-N -1 0 303.383 3.588 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000864104473 979690891 /nfs/dbraw/zinc/69/08/91/979690891.db2.gz LDUKTEITVFXAAL-LXZKKBNFSA-N -1 0 315.413 3.734 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592861533 979698932 /nfs/dbraw/zinc/69/89/32/979698932.db2.gz SXKQWLXILAZCOR-BBRMVZONSA-N -1 0 318.417 3.602 20 0 DHADRM CC[C@@H](CNC(=O)c1cccc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC001595164268 979706445 /nfs/dbraw/zinc/70/64/45/979706445.db2.gz RHOHERGMCKBTMB-AWEZNQCLSA-N -1 0 311.381 3.503 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864128563 979729417 /nfs/dbraw/zinc/72/94/17/979729417.db2.gz LJWLHZYZKICVRO-KGLIPLIRSA-N -1 0 311.381 3.615 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)NCCCC(C)(C)C)cc1)C(=O)[O-] ZINC001592872707 979731904 /nfs/dbraw/zinc/73/19/04/979731904.db2.gz OIRIWCQNTOGODE-CYBMUJFWSA-N -1 0 320.433 3.898 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1)C(=O)[O-] ZINC001592873072 979734052 /nfs/dbraw/zinc/73/40/52/979734052.db2.gz QSLDYZWEQUIPDT-OLZOCXBDSA-N -1 0 318.417 3.650 20 0 DHADRM Cc1ccc(C(=O)N2CCC(C)(C(C)C)CC2)cc1C(=O)[O-] ZINC000864142875 979747855 /nfs/dbraw/zinc/74/78/55/979747855.db2.gz UCTHPHDSKKKJFP-UHFFFAOYSA-N -1 0 303.402 3.592 20 0 DHADRM CC[C@@H](CNc1nc(C(=O)[O-])c(C)s1)Oc1cccc(F)c1 ZINC001595173011 979748372 /nfs/dbraw/zinc/74/83/72/979748372.db2.gz XCURAKSXQYUNFF-NSHDSACASA-N -1 0 324.377 3.558 20 0 DHADRM C[C@@H](Cc1ccc(O)cc1)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001592882700 979754055 /nfs/dbraw/zinc/75/40/55/979754055.db2.gz GHMLLLFKDMZNCB-LBPRGKRZSA-N -1 0 322.364 3.682 20 0 DHADRM C[C@H](Cc1ccc(Nc2cc(C(C)(C)C)ncn2)cc1)C(=O)[O-] ZINC001592883305 979759590 /nfs/dbraw/zinc/75/95/90/979759590.db2.gz PQHYYTPXQQVVFS-GFCCVEGCSA-N -1 0 313.401 3.781 20 0 DHADRM C[C@@H](Cc1cccc(F)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592885781 979771833 /nfs/dbraw/zinc/77/18/33/979771833.db2.gz SAQRGEAXXZAHCA-VIFPVBQESA-N -1 0 316.288 3.513 20 0 DHADRM O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000864162707 979781008 /nfs/dbraw/zinc/78/10/08/979781008.db2.gz OBQURCAAWKAYNM-QGZVFWFLSA-N -1 0 313.397 3.638 20 0 DHADRM CCC[C@H](C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000864167212 979792815 /nfs/dbraw/zinc/79/28/15/979792815.db2.gz DWZOVPIOOLEVLX-GJZGRUSLSA-N -1 0 321.804 3.513 20 0 DHADRM CS[C@H](C)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224718 979909629 /nfs/dbraw/zinc/90/96/29/979909629.db2.gz GPHUVCAMLFZXQL-SNVBAGLBSA-N -1 0 303.383 3.618 20 0 DHADRM CC1=CC[C@@](C)(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000864226431 979912920 /nfs/dbraw/zinc/91/29/20/979912920.db2.gz FBJDULHPHCGHDT-AUUYWEPGSA-N -1 0 313.397 3.728 20 0 DHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)sc1C ZINC000864228523 979920722 /nfs/dbraw/zinc/92/07/22/979920722.db2.gz NTTFHLGYNSFIJS-CQSZACIVSA-N -1 0 317.410 3.619 20 0 DHADRM CC[C@H](COc1ccccc1[C@@H](OC)C(=O)[O-])CC(F)F ZINC001595198540 979927087 /nfs/dbraw/zinc/92/70/87/979927087.db2.gz PHKHWLBIQDAHNE-IINYFYTJSA-N -1 0 302.317 3.519 20 0 DHADRM CC(F)(F)c1ccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001592943348 980014204 /nfs/dbraw/zinc/01/42/04/980014204.db2.gz HESNTRRZDPFHQB-WDEREUQCSA-N -1 0 322.311 3.817 20 0 DHADRM C[C@H](N(Cc1ccccc1)C(=O)CCCC(=O)[O-])C(C)(C)C ZINC001592951158 980037207 /nfs/dbraw/zinc/03/72/07/980037207.db2.gz DNCYMNNFZKNYMK-AWEZNQCLSA-N -1 0 305.418 3.705 20 0 DHADRM CC[C@@H](F)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595224208 980068056 /nfs/dbraw/zinc/06/80/56/980068056.db2.gz ZLILDOSLOCWNNJ-CQSZACIVSA-N -1 0 317.316 3.864 20 0 DHADRM CCC(F)(F)c1ccccc1NCc1ccc(C(=O)[O-])cn1 ZINC001595224662 980069749 /nfs/dbraw/zinc/06/97/49/980069749.db2.gz DBSAOGSYAOLKPR-UHFFFAOYSA-N -1 0 306.312 3.894 20 0 DHADRM CC[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1cccc2ccccc21 ZINC001595238461 980155073 /nfs/dbraw/zinc/15/50/73/980155073.db2.gz LHPNJCHIEMEQGO-CXAGYDPISA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001595256378 980236872 /nfs/dbraw/zinc/23/68/72/980236872.db2.gz BLLXSZBDMUJZEH-CQDKDKBSSA-N -1 0 318.417 3.821 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1csc(C)c1 ZINC001595264998 980272932 /nfs/dbraw/zinc/27/29/32/980272932.db2.gz JBDROYGGRQJSOF-LLVKDONJSA-N -1 0 307.371 3.537 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1csc(C)c1 ZINC001595265891 980278315 /nfs/dbraw/zinc/27/83/15/980278315.db2.gz 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/nfs/dbraw/zinc/47/00/88/980470088.db2.gz FYWYJQAEBDEWIH-UHFFFAOYSA-N -1 0 320.414 3.723 20 0 DHADRM COCc1cc(NCc2ncc(C(C)C)s2)cc(C(=O)[O-])c1 ZINC000901737534 980471850 /nfs/dbraw/zinc/47/18/50/980471850.db2.gz FWWHEVGENSXXLJ-UHFFFAOYSA-N -1 0 320.414 3.723 20 0 DHADRM COCc1cc(NCc2ccc(SC)s2)cc(C(=O)[O-])c1 ZINC000901739206 980472934 /nfs/dbraw/zinc/47/29/34/980472934.db2.gz KWKQUFKAIKWAQE-UHFFFAOYSA-N -1 0 323.439 3.927 20 0 DHADRM CC[C@H](Nc1cccc(-n2nccn2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317989 980497587 /nfs/dbraw/zinc/49/75/87/980497587.db2.gz DIUJDEZFLYTWHJ-KRWDZBQOSA-N -1 0 322.368 3.529 20 0 DHADRM COc1c(C)cnc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1C ZINC000901815087 980535788 /nfs/dbraw/zinc/53/57/88/980535788.db2.gz IJCMNLKUKUELHW-LBPRGKRZSA-N -1 0 314.385 3.507 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC2CCN(c3ccccc3)CC2)c1 ZINC000901814364 980536012 /nfs/dbraw/zinc/53/60/12/980536012.db2.gz HFOBHFVLBDOAAK-HNNXBMFYSA-N -1 0 324.424 3.956 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H]2CCc3cccnc3CC2)c1 ZINC000901817454 980537401 /nfs/dbraw/zinc/53/74/01/980537401.db2.gz ZRHMJSWMRCSVPY-CZUORRHYSA-N -1 0 310.397 3.629 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@H]2CCOc3ccccc32)c1 ZINC000901818526 980538366 /nfs/dbraw/zinc/53/83/66/980538366.db2.gz XXSVLWMFOPPLJS-UKRRQHHQSA-N -1 0 311.381 3.853 20 0 DHADRM Cc1ccc([C@H](NCc2cnc(C3CC3)s2)C(=O)[O-])cc1C ZINC000901844659 980566590 /nfs/dbraw/zinc/56/65/90/980566590.db2.gz NQBUMNKXIIXMDM-HNNXBMFYSA-N -1 0 316.426 3.553 20 0 DHADRM Cc1ccc([C@@H](NCc2cnc(C(C)C)s2)C(=O)[O-])cc1C ZINC000901845140 980567731 /nfs/dbraw/zinc/56/77/31/980567731.db2.gz PQIAAVXZSWQTRK-OAHLLOKOSA-N -1 0 318.442 3.799 20 0 DHADRM CC[C@H](OC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595337000 980598095 /nfs/dbraw/zinc/59/80/95/980598095.db2.gz OZFXAEZIGNNNDZ-XVKPBYJWSA-N -1 0 305.157 3.503 20 0 DHADRM CC[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595337471 980600031 /nfs/dbraw/zinc/60/00/31/980600031.db2.gz 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980710201 /nfs/dbraw/zinc/71/02/01/980710201.db2.gz XUXICMLJQLFUSJ-MRXNPFEDSA-N -1 0 315.369 3.901 20 0 DHADRM CCc1cnc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000902047580 980713171 /nfs/dbraw/zinc/71/31/71/980713171.db2.gz UBQUYSAAMYGCEU-DZGCQCFKSA-N -1 0 322.474 3.561 20 0 DHADRM CC[C@H](OCCN[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001595356896 980717483 /nfs/dbraw/zinc/71/74/83/980717483.db2.gz RRMUKHLDJTWYCK-HOTGVXAUSA-N -1 0 319.426 3.631 20 0 DHADRM CCc1oc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000902108079 980737780 /nfs/dbraw/zinc/73/77/80/980737780.db2.gz JMJVOWHTAPUFFN-MFKMUULPSA-N -1 0 303.358 3.546 20 0 DHADRM CC(C)(NCc1ccc(C(=O)[O-])c(Cl)c1)c1nccs1 ZINC000902143194 980754703 /nfs/dbraw/zinc/75/47/03/980754703.db2.gz FGCWKHOFHMRGSI-UHFFFAOYSA-N -1 0 310.806 3.520 20 0 DHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)c(C)c1 ZINC000902152789 980759934 /nfs/dbraw/zinc/75/99/34/980759934.db2.gz SQQRYXOFOSNCSZ-UHFFFAOYSA-N -1 0 303.358 3.859 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000902162337 980762613 /nfs/dbraw/zinc/76/26/13/980762613.db2.gz KKEYEYXHSYQBCK-UAGQMJEPSA-N -1 0 323.477 3.798 20 0 DHADRM Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902239839 980796135 /nfs/dbraw/zinc/79/61/35/980796135.db2.gz QNDGLEJTSGRUCG-KWCYVHTRSA-N -1 0 318.417 3.501 20 0 DHADRM O=C([O-])/C=C/c1ccc(CNc2ccc(OCC3CC3)cc2)o1 ZINC000902255328 980801749 /nfs/dbraw/zinc/80/17/49/980801749.db2.gz LJXLJVLKCRRHMT-MDZDMXLPSA-N -1 0 313.353 3.778 20 0 DHADRM C[C@H]1[C@H](Nc2ccc(OCC(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC000902340243 980839983 /nfs/dbraw/zinc/83/99/83/980839983.db2.gz DWTYLEMZYWWAOZ-UHIISALHSA-N -1 0 313.344 3.632 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001595370677 980843364 /nfs/dbraw/zinc/84/33/64/980843364.db2.gz BZVNUYCGDOEOAC-DAYGRLMNSA-N -1 0 316.401 3.529 20 0 DHADRM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3F)CCCC2)o1 ZINC000902351492 980845687 /nfs/dbraw/zinc/84/56/87/980845687.db2.gz QLILALDSBSSITD-UHFFFAOYSA-N -1 0 321.323 3.815 20 0 DHADRM Cc1oc(CN[C@H](CC(C)(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC000902434056 980884066 /nfs/dbraw/zinc/88/40/66/980884066.db2.gz XCRQFULHQMCACY-LLVKDONJSA-N -1 0 307.312 3.743 20 0 DHADRM CCC1(CC)CCC(NC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001595374577 980885574 /nfs/dbraw/zinc/88/55/74/980885574.db2.gz JEEYYWWDQNLOBD-UHFFFAOYSA-N -1 0 312.454 3.536 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001595374682 980887466 /nfs/dbraw/zinc/88/74/66/980887466.db2.gz OKPWLUBNZFPGMQ-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM CCC1(CC)CCC(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001595374825 980888775 /nfs/dbraw/zinc/88/87/75/980888775.db2.gz XDQLOBHLLLVWIQ-SOFGYWHQSA-N -1 0 319.401 3.856 20 0 DHADRM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000902516787 980916545 /nfs/dbraw/zinc/91/65/45/980916545.db2.gz LFOMWZVBGYQCTB-TVRMLOFPSA-N -1 0 320.414 3.644 20 0 DHADRM CCOC1CCC(Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC000902570497 980938069 /nfs/dbraw/zinc/93/80/69/980938069.db2.gz UGQZFQOHISEOGZ-UHFFFAOYSA-N -1 0 309.431 3.866 20 0 DHADRM CCC1(c2noc(-c3cccc(CC(=O)[O-])c3)n2)CCCC1 ZINC001595398079 980968003 /nfs/dbraw/zinc/96/80/03/980968003.db2.gz BEJJPHONPFWOIA-UHFFFAOYSA-N -1 0 300.358 3.586 20 0 DHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595409406 981007817 /nfs/dbraw/zinc/00/78/17/981007817.db2.gz XLYSGRMTQSKIEO-ZYHUDNBSSA-N -1 0 315.373 3.518 20 0 DHADRM CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595435351 981064365 /nfs/dbraw/zinc/06/43/65/981064365.db2.gz JBOBGEACYQSTDQ-MAUKXSAKSA-N -1 0 303.402 3.560 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595436709 981070628 /nfs/dbraw/zinc/07/06/28/981070628.db2.gz USDTVYCCUTZCEB-QFYYESIMSA-N -1 0 322.430 3.874 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001595441222 981079027 /nfs/dbraw/zinc/07/90/27/981079027.db2.gz 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ZINC000326021191 1014706843 /nfs/dbraw/zinc/70/68/43/1014706843.db2.gz PBCKNTDQHRAYNV-RDTXWAMCSA-N -1 0 323.392 3.679 20 0 DHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CC1 ZINC001595453728 981120548 /nfs/dbraw/zinc/12/05/48/981120548.db2.gz VUPVFOZOOGBWJK-LBPRGKRZSA-N -1 0 322.380 3.876 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000905714280 981120724 /nfs/dbraw/zinc/12/07/24/981120724.db2.gz SUFYKFLBXDPJBM-CKEIUWERSA-N -1 0 317.429 3.666 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000191034328 1014709025 /nfs/dbraw/zinc/70/90/25/1014709025.db2.gz RHFDPLXWJZYNSC-HNNXBMFYSA-N -1 0 315.344 3.965 20 0 DHADRM CC[C@@H]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)[C@@H]1C ZINC001595468567 981164012 /nfs/dbraw/zinc/16/40/12/981164012.db2.gz ZBPUWNVIGVKXEJ-MWLCHTKSSA-N -1 0 319.430 3.631 20 0 DHADRM CC1(c2ccccc2C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000907609117 981199543 /nfs/dbraw/zinc/19/95/43/981199543.db2.gz OLJXMMAMCKPRRT-UHFFFAOYSA-N -1 0 309.365 3.618 20 0 DHADRM CC[C@H]1CN(Cc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC001595486468 981228256 /nfs/dbraw/zinc/22/82/56/981228256.db2.gz CLVGOXWAIPAXPR-LBPRGKRZSA-N -1 0 303.383 3.624 20 0 DHADRM CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2C(=O)[O-])CCCO1 ZINC001595491996 981252533 /nfs/dbraw/zinc/25/25/33/981252533.db2.gz HDRIGCABTHQKDV-SNVBAGLBSA-N -1 0 318.200 3.697 20 0 DHADRM CC(C)(CC(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000656487445 1014719500 /nfs/dbraw/zinc/71/95/00/1014719500.db2.gz UUWWJPJUBYUPOF-UHFFFAOYSA-N -1 0 317.410 3.532 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595505169 981282007 /nfs/dbraw/zinc/28/20/07/981282007.db2.gz ZTBAUEOLBOHIGD-GOSISDBHSA-N -1 0 323.392 3.811 20 0 DHADRM Cc1scc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1C ZINC000908338280 981303033 /nfs/dbraw/zinc/30/30/33/981303033.db2.gz ICFSCGWXPIQYKN-UHFFFAOYSA-N -1 0 309.431 3.520 20 0 DHADRM CC1=CC[C@](C)(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC1 ZINC000908338356 981303864 /nfs/dbraw/zinc/30/38/64/981303864.db2.gz 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/nfs/dbraw/zinc/40/34/97/981403497.db2.gz TUDNJLHMNYLOLO-KRWDZBQOSA-N -1 0 307.390 3.564 20 0 DHADRM CCC[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595542652 981404297 /nfs/dbraw/zinc/40/42/97/981404297.db2.gz WXGIEIPZZWIVDR-QAPCUYQASA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595542653 981404392 /nfs/dbraw/zinc/40/43/92/981404392.db2.gz WXGIEIPZZWIVDR-YJBOKZPZSA-N -1 0 311.466 3.990 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(C3CC3)CCC2)cc1 ZINC000909290865 981461522 /nfs/dbraw/zinc/46/15/22/981461522.db2.gz ZKYAWWDONNQLLH-UHFFFAOYSA-N -1 0 301.386 3.568 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595566681 981463050 /nfs/dbraw/zinc/46/30/50/981463050.db2.gz SHGKRZQZLQAUHN-QJTVKIIZSA-N -1 0 315.413 3.726 20 0 DHADRM CCC[C@@H](C)CC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595570937 981476777 /nfs/dbraw/zinc/47/67/77/981476777.db2.gz LSOUSOAMFKKMGM-ZVTBTPLYSA-N -1 0 306.358 3.525 20 0 DHADRM CCC[C@H](C)CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595574041 981490378 /nfs/dbraw/zinc/49/03/78/981490378.db2.gz OSOAPRGSHFPHQQ-VIFPVBQESA-N -1 0 314.332 3.611 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595585807 981526439 /nfs/dbraw/zinc/52/64/39/981526439.db2.gz DSMZBXCDAPQEDQ-JTQLQIEISA-N -1 0 312.797 3.834 20 0 DHADRM CCC[C@H](CC)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595586186 981529924 /nfs/dbraw/zinc/52/99/24/981529924.db2.gz RHNLJYDAIMTPFK-ZDUSSCGKSA-N -1 0 303.402 3.799 20 0 DHADRM Cc1oc2ccccc2c1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000909534436 981534921 /nfs/dbraw/zinc/53/49/21/981534921.db2.gz RFGMJWPGWHOCFX-ACJLOTCBSA-N -1 0 315.369 3.505 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001595587239 981539985 /nfs/dbraw/zinc/53/99/85/981539985.db2.gz GIQVORPOMKNICV-HZPDHXFCSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595587369 981541214 /nfs/dbraw/zinc/54/12/14/981541214.db2.gz KDFKIUNIRWSWFR-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CCC[C@H](CC)SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001595587351 981541364 /nfs/dbraw/zinc/54/13/64/981541364.db2.gz JRININBXRBPGMS-NSHDSACASA-N -1 0 320.414 3.846 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001595587845 981544215 /nfs/dbraw/zinc/54/42/15/981544215.db2.gz XWSZFVOIJFMZBR-CVEARBPZSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595587881 981544706 /nfs/dbraw/zinc/54/47/06/981544706.db2.gz YZGHVOFIQGEQEI-UTSKFRMZSA-N -1 0 321.461 3.599 20 0 DHADRM CCC[C@@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001595593761 981558152 /nfs/dbraw/zinc/55/81/52/981558152.db2.gz GNLWMUUXKQYGSA-HNNXBMFYSA-N -1 0 320.433 3.602 20 0 DHADRM CCC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001595599058 981570148 /nfs/dbraw/zinc/57/01/48/981570148.db2.gz SHLXUYFLDSETPW-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000909693513 981572479 /nfs/dbraw/zinc/57/24/79/981572479.db2.gz IWMBETIUIKLQEG-QWRGUYRKSA-N -1 0 319.788 3.781 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)(C)C ZINC001595600059 981576236 /nfs/dbraw/zinc/57/62/36/981576236.db2.gz JNWMIEWCJRRHRY-AWEZNQCLSA-N -1 0 306.406 3.650 20 0 DHADRM CCC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595604755 981590409 /nfs/dbraw/zinc/59/04/09/981590409.db2.gz PYVPKGCWUBJFNH-ZDUSSCGKSA-N -1 0 321.327 3.715 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001594741102 981609541 /nfs/dbraw/zinc/60/95/41/981609541.db2.gz UUMLRGNRSAXTEQ-HOTGVXAUSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC001594741671 981613646 /nfs/dbraw/zinc/61/36/46/981613646.db2.gz ROVJNEKIVWTZER-MRXNPFEDSA-N -1 0 319.445 3.605 20 0 DHADRM CCC[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccn1 ZINC001595615027 981633705 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CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1C ZINC000581379204 1014753585 /nfs/dbraw/zinc/75/35/85/1014753585.db2.gz GRPRBOXDOBXBBV-UHFFFAOYSA-N -1 0 323.439 3.677 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001594756773 981677712 /nfs/dbraw/zinc/67/77/12/981677712.db2.gz ZYDUAFFQPGUNIQ-QGZVFWFLSA-N -1 0 317.429 3.504 20 0 DHADRM O=C(NCC[C@@H]1CC=CCC1)c1cc(Br)ccc1O ZINC000706928438 1014756320 /nfs/dbraw/zinc/75/63/20/1014756320.db2.gz PIRCXVCIFOUVSV-LLVKDONJSA-N -1 0 324.218 3.631 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC001594759276 981685674 /nfs/dbraw/zinc/68/56/74/981685674.db2.gz GEFZJEHYJBHDHP-MRXNPFEDSA-N -1 0 319.401 3.695 20 0 DHADRM CCCC1CCC(N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001595620629 981691527 /nfs/dbraw/zinc/69/15/27/981691527.db2.gz NVUUTZMYSIXWCC-KTKRTIGZSA-N -1 0 319.401 3.808 20 0 DHADRM CCCC1CCC(N(C)C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001595620888 981694323 /nfs/dbraw/zinc/69/43/23/981694323.db2.gz WRNNXMQAJXZELK-UHFFFAOYSA-N -1 0 319.405 3.602 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595621044 981695976 /nfs/dbraw/zinc/69/59/76/981695976.db2.gz AVSRALYUPVCERE-IUODEOHRSA-N -1 0 319.405 3.569 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595621404 981699457 /nfs/dbraw/zinc/69/94/57/981699457.db2.gz HTGWRKCWFNFQLD-RDJZCZTQSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)OCc1ccc(-c2ccsc2)cc1 ZINC001594763723 981701389 /nfs/dbraw/zinc/70/13/89/981701389.db2.gz DMSNWAZJHYUCLI-AWEZNQCLSA-N -1 0 304.367 3.569 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595622205 981707141 /nfs/dbraw/zinc/70/71/41/981707141.db2.gz SHPPVRKZLBQMKP-IVMMDQJWSA-N -1 0 321.392 3.592 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622457 981710352 /nfs/dbraw/zinc/71/03/52/981710352.db2.gz TYRMIXJCJRCMHF-CJNGLKHVSA-N -1 0 319.401 3.686 20 0 DHADRM CCC[C@H]1CCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595623642 981723180 /nfs/dbraw/zinc/72/31/80/981723180.db2.gz VWBCWQGFDGIKDN-VIFPVBQESA-N -1 0 302.296 3.568 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccccc1 ZINC001594767210 981725046 /nfs/dbraw/zinc/72/50/46/981725046.db2.gz FANUHGUQTWFCNV-GVDBMIGSSA-N -1 0 315.413 3.709 20 0 DHADRM Cc1c(NC(=O)C2=CCCC2)cc(Br)cc1C(=O)[O-] ZINC000910081686 981754195 /nfs/dbraw/zinc/75/41/95/981754195.db2.gz KAYAGRBTAXOEDE-UHFFFAOYSA-N -1 0 324.174 3.505 20 0 DHADRM CCCC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC001595627492 981773106 /nfs/dbraw/zinc/77/31/06/981773106.db2.gz HULNMIZXFJIQQB-INIZCTEOSA-N -1 0 305.418 3.806 20 0 DHADRM CCCC[C@@H](C(=O)N(CC)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595627806 981776564 /nfs/dbraw/zinc/77/65/64/981776564.db2.gz VFJFMQLXKOHFJA-LLVKDONJSA-N -1 0 312.435 3.657 20 0 DHADRM CCCC[C@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)C(C)C ZINC001595627853 981777399 /nfs/dbraw/zinc/77/73/99/981777399.db2.gz WTIJOMTYESXZEN-IRXDYDNUSA-N -1 0 319.445 3.651 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC000910194302 981778570 /nfs/dbraw/zinc/77/85/70/981778570.db2.gz GAXDMJVZKBSJKQ-NSHDSACASA-N -1 0 301.342 3.673 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595630769 981826157 /nfs/dbraw/zinc/82/61/57/981826157.db2.gz PPRKTDQEXYQTIJ-AWEZNQCLSA-N -1 0 316.398 3.822 20 0 DHADRM CCCC[C@@H](C)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595631643 981841123 /nfs/dbraw/zinc/84/11/23/981841123.db2.gz XGDWPRKZWWOHJF-ZJNQMXKESA-N -1 0 306.358 3.525 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001595631748 981843894 /nfs/dbraw/zinc/84/38/94/981843894.db2.gz AZQLYWXEOQTSNJ-ZDUSSCGKSA-N -1 0 306.406 3.601 20 0 DHADRM CCCC[C@@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595632229 981852213 /nfs/dbraw/zinc/85/22/13/981852213.db2.gz UCOIEESFRZPFLI-CJNGLKHVSA-N -1 0 323.408 3.717 20 0 DHADRM CCC(C)(C)[C@@H](C)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594794775 981873314 /nfs/dbraw/zinc/87/33/14/981873314.db2.gz UGYGPBFSPUXDGQ-CYBMUJFWSA-N -1 0 312.454 3.536 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001594796484 981876285 /nfs/dbraw/zinc/87/62/85/981876285.db2.gz AVJBPLJXKNZEOW-LPRCSBTHSA-N -1 0 323.477 3.845 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001594796485 981876430 /nfs/dbraw/zinc/87/64/30/981876430.db2.gz AVJBPLJXKNZEOW-QXGUJMOYSA-N -1 0 323.477 3.845 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001594796679 981879737 /nfs/dbraw/zinc/87/97/37/981879737.db2.gz IAZFVCPBMUPSGA-XNDRKVBMSA-N -1 0 323.477 3.798 20 0 DHADRM CCC(C)(C)C1CCC(Nc2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001594797329 981887191 /nfs/dbraw/zinc/88/71/91/981887191.db2.gz YYKVDLWFRIIJRQ-UHFFFAOYSA-N -1 0 305.422 3.890 20 0 DHADRM CCC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594807978 981914134 /nfs/dbraw/zinc/91/41/34/981914134.db2.gz FLPJBWUAKGEEAO-KRWDZBQOSA-N -1 0 313.397 3.908 20 0 DHADRM CCC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594808212 981914499 /nfs/dbraw/zinc/91/44/99/981914499.db2.gz HJWLKNWBCMBGCY-ZDUSSCGKSA-N -1 0 315.772 3.547 20 0 DHADRM CCCC[C@H](NC(=O)c1ccc(C)c(Cl)c1Cl)C(=O)[O-] ZINC001595636790 981922581 /nfs/dbraw/zinc/92/25/81/981922581.db2.gz QQKVQTMRRGYETL-JTQLQIEISA-N -1 0 318.200 3.675 20 0 DHADRM CCCC[C@@H](NC(=O)c1ccc(C)c(Cl)c1Cl)C(=O)[O-] ZINC001595636791 981922809 /nfs/dbraw/zinc/92/28/09/981922809.db2.gz QQKVQTMRRGYETL-SNVBAGLBSA-N -1 0 318.200 3.675 20 0 DHADRM CCCC[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001595637212 981928368 /nfs/dbraw/zinc/92/83/68/981928368.db2.gz YFCCKTCGCJTWSV-MRXNPFEDSA-N -1 0 303.402 3.717 20 0 DHADRM CCCC[C@@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001595637655 981933976 /nfs/dbraw/zinc/93/39/76/981933976.db2.gz NVBUQOHCMCQBLR-GFCCVEGCSA-N -1 0 324.446 3.564 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001594814585 981938982 /nfs/dbraw/zinc/93/89/82/981938982.db2.gz QCOPFFVIVHQSSB-UHFFFAOYSA-N -1 0 317.429 3.892 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001594814631 981939715 /nfs/dbraw/zinc/93/97/15/981939715.db2.gz SNMNAKZIADMOMV-CJNGLKHVSA-N -1 0 317.429 3.747 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001594815524 981942175 /nfs/dbraw/zinc/94/21/75/981942175.db2.gz CHEPCDGCJICWCF-CQSZACIVSA-N -1 0 319.445 3.851 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001594817693 981958146 /nfs/dbraw/zinc/95/81/46/981958146.db2.gz UAURTSBTONMVLY-JTNHKYCSSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC[C@@H](Nc1cc(NC(=O)C(C)C)ccc1C)C(=O)[O-] ZINC001595642344 981972215 /nfs/dbraw/zinc/97/22/15/981972215.db2.gz OLDGDGHNXMWJLI-CQSZACIVSA-N -1 0 306.406 3.645 20 0 DHADRM C[C@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000910561886 981991482 /nfs/dbraw/zinc/99/14/82/981991482.db2.gz YHYLJZRIIULRQZ-UONOGXRCSA-N -1 0 323.392 3.970 20 0 DHADRM CCCC[C@@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC001595650343 982008434 /nfs/dbraw/zinc/00/84/34/982008434.db2.gz GKFXAISYXAYWNP-HTAVTVPLSA-N -1 0 324.339 3.932 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC001595650940 982014459 /nfs/dbraw/zinc/01/44/59/982014459.db2.gz AAFVTRCCRXZCKZ-GWCFXTLKSA-N -1 0 313.394 3.529 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC001594846571 982068018 /nfs/dbraw/zinc/06/80/18/982068018.db2.gz GDJQDBSBDRKHJA-MRXNPFEDSA-N -1 0 321.373 3.537 20 0 DHADRM CCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001595660883 982073398 /nfs/dbraw/zinc/07/33/98/982073398.db2.gz NLPPXWUBLXBGAU-SSDMNJCBSA-N -1 0 323.458 3.987 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595660903 982073905 /nfs/dbraw/zinc/07/39/05/982073905.db2.gz OGGIGZMQJXJXLA-CJNGLKHVSA-N -1 0 303.402 3.782 20 0 DHADRM CCCCC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC001595663276 982083155 /nfs/dbraw/zinc/08/31/55/982083155.db2.gz SZPSUXYSCTWZKL-MRXNPFEDSA-N -1 0 320.433 3.591 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910742377 982104993 /nfs/dbraw/zinc/10/49/93/982104993.db2.gz HWAAHRRTBQORQQ-QMMMGPOBSA-N -1 0 310.419 3.730 20 0 DHADRM CCCCC[C@H](NC(=O)/C(C)=C\C1CCC(C)CC1)C(=O)[O-] ZINC001595669986 982116098 /nfs/dbraw/zinc/11/60/98/982116098.db2.gz LMHDAHVNWSHCPE-YKXLIUFSSA-N -1 0 309.450 3.909 20 0 DHADRM CCCCC[C@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595673186 982139539 /nfs/dbraw/zinc/13/95/39/982139539.db2.gz VTQYTGVKJSWHNZ-HOCLYGCPSA-N -1 0 305.418 3.720 20 0 DHADRM CCCCC[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595673391 982142086 /nfs/dbraw/zinc/14/20/86/982142086.db2.gz WOFBGJJKKRESSF-INIZCTEOSA-N -1 0 319.445 3.676 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001595676850 982149416 /nfs/dbraw/zinc/14/94/16/982149416.db2.gz QLNPOSBDVYVGRW-GFCCVEGCSA-N -1 0 318.200 3.757 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594861943 982152078 /nfs/dbraw/zinc/15/20/78/982152078.db2.gz QRXNZFIMOBZMBA-FLVLSHQESA-N -1 0 323.820 3.588 20 0 DHADRM CCCCC[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001595677629 982152286 /nfs/dbraw/zinc/15/22/86/982152286.db2.gz YVCAPNFWEMUICH-HNNXBMFYSA-N -1 0 314.385 3.764 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-] ZINC001595680671 982156639 /nfs/dbraw/zinc/15/66/39/982156639.db2.gz FZZOPRQFCIUQSM-CYBMUJFWSA-N -1 0 311.809 3.720 20 0 DHADRM CC[C@@H](C)C(=O)CSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001594864141 982157028 /nfs/dbraw/zinc/15/70/28/982157028.db2.gz BGALWPKRJGVNJS-SSDOTTSWSA-N -1 0 321.320 3.506 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)CC ZINC000910948135 982172738 /nfs/dbraw/zinc/17/27/38/982172738.db2.gz VBOUGCCPWOMSCH-WEKRPSOOSA-N -1 0 305.399 3.958 20 0 DHADRM CCCCC[C@@H](Nc1nc(-c2ccccc2C)ns1)C(=O)[O-] ZINC001595687261 982178862 /nfs/dbraw/zinc/17/88/62/982178862.db2.gz OJBWRNCTUBGFAA-CYBMUJFWSA-N -1 0 319.430 3.959 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001595695518 982218458 /nfs/dbraw/zinc/21/84/58/982218458.db2.gz VYYNEJALUCCCSU-PBHICJAKSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001595695521 982218935 /nfs/dbraw/zinc/21/89/35/982218935.db2.gz VYYNEJALUCCCSU-YOEHRIQHSA-N -1 0 317.429 3.804 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C)nc2C2CC2)cc(C(=O)[O-])c1 ZINC000911065665 982223212 /nfs/dbraw/zinc/22/32/12/982223212.db2.gz DOZHZJGXLGLHER-UHFFFAOYSA-N -1 0 310.353 3.526 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)[O-])N1CC[C@@H](CCOC)c2ccccc21 ZINC001594878861 982227338 /nfs/dbraw/zinc/22/73/38/982227338.db2.gz YQKMEUOIGIBYRH-ZQIUZPCESA-N -1 0 305.418 3.516 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(C(F)F)cc2)CC2(CCC2)C1 ZINC000911083228 982230608 /nfs/dbraw/zinc/23/06/08/982230608.db2.gz RZNKBKNRLPOBJD-UHFFFAOYSA-N -1 0 309.312 3.598 20 0 DHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC001595735858 982381129 /nfs/dbraw/zinc/38/11/29/982381129.db2.gz OPPDQDZYVJASOH-CZUORRHYSA-N -1 0 318.417 3.601 20 0 DHADRM CCCCNC(=S)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595757534 982457753 /nfs/dbraw/zinc/45/77/53/982457753.db2.gz DLFAZQSXGGVJAC-UHFFFAOYSA-N -1 0 308.428 3.686 20 0 DHADRM CCCCOC(=O)CS[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595764850 982485406 /nfs/dbraw/zinc/48/54/06/982485406.db2.gz ZRPSOSMDTLHLKT-CYBMUJFWSA-N -1 0 316.806 3.542 20 0 DHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC001594928515 982538564 /nfs/dbraw/zinc/53/85/64/982538564.db2.gz JKRCUVNFTQJSKM-CABZTGNLSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)[O-] ZINC001594929273 982546919 /nfs/dbraw/zinc/54/69/19/982546919.db2.gz RKMGRVDIXONUHQ-YPMHNXCESA-N -1 0 319.430 3.556 20 0 DHADRM CCCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cn1 ZINC001595780493 982548429 /nfs/dbraw/zinc/54/84/29/982548429.db2.gz CKXWYMTVORAPJD-GZBFAFLISA-N -1 0 306.406 3.562 20 0 DHADRM CC[C@@H](C)CC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594934489 982580059 /nfs/dbraw/zinc/58/00/59/982580059.db2.gz JTKLFRVSQQTVCK-NOZJJQNGSA-N -1 0 318.291 3.968 20 0 DHADRM CCCCc1ccc(OC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001595796151 982600267 /nfs/dbraw/zinc/60/02/67/982600267.db2.gz HVCGWOGMUNTPBE-UHFFFAOYSA-N -1 0 316.353 3.777 20 0 DHADRM CCCCc1ccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001595796244 982601026 /nfs/dbraw/zinc/60/10/26/982601026.db2.gz KZFAXBGYUYKRDC-ZRDIBKRKSA-N -1 0 314.337 3.939 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC)Sc1ccccc1)C(=O)[O-] ZINC001594937627 982601110 /nfs/dbraw/zinc/60/11/10/982601110.db2.gz XGBQFEMJCFEJGH-QEJZJMRPSA-N -1 0 323.458 3.563 20 0 DHADRM CCCCn1c(C)c(C)nc1S[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595801754 982615382 /nfs/dbraw/zinc/61/53/82/982615382.db2.gz AVRGQPZLKUITGD-LLVKDONJSA-N -1 0 323.418 3.840 20 0 DHADRM Cc1sccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738674 982621461 /nfs/dbraw/zinc/62/14/61/982621461.db2.gz VWPXGWVNUNICGV-UHFFFAOYSA-N -1 0 319.382 3.794 20 0 DHADRM CC(C)Oc1c(NC(=O)CC2CCCC2)cccc1C(=O)[O-] ZINC000911739427 982622113 /nfs/dbraw/zinc/62/21/13/982622113.db2.gz SDFAVTRCECKRHH-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cccc1C(=O)[O-] ZINC000911739383 982622280 /nfs/dbraw/zinc/62/22/80/982622280.db2.gz PYUIIKASZHJVMF-JYAVWHMHSA-N -1 0 317.385 3.547 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001594945307 982631844 /nfs/dbraw/zinc/63/18/44/982631844.db2.gz BAMVKXHWWXTEQW-SUMWQHHRSA-N -1 0 317.429 3.963 20 0 DHADRM CC[C@H](C)C[C@H](Nc1cc(C2CC2)nc(C2CC2)n1)C(=O)[O-] ZINC001594953453 982679897 /nfs/dbraw/zinc/67/98/97/982679897.db2.gz SUHOKAHRKGUOTN-HZMBPMFUSA-N -1 0 303.406 3.533 20 0 DHADRM CCCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001595822821 982695311 /nfs/dbraw/zinc/69/53/11/982695311.db2.gz OHWPRIMPPBNQMJ-UHFFFAOYSA-N -1 0 314.744 3.584 20 0 DHADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594958147 982695655 /nfs/dbraw/zinc/69/56/55/982695655.db2.gz RRNMCJBPMDERMQ-YMTOWFKASA-N -1 0 315.772 3.547 20 0 DHADRM CC[C@@H](C)CCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001594958532 982698781 /nfs/dbraw/zinc/69/87/81/982698781.db2.gz VTLXNIODZXWSEK-ZVTBTPLYSA-N -1 0 306.358 3.525 20 0 DHADRM CC[C@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594958701 982699991 /nfs/dbraw/zinc/69/99/91/982699991.db2.gz XLFXSVXBMFMUIR-ZDUSSCGKSA-N -1 0 318.417 3.750 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001594959039 982703067 /nfs/dbraw/zinc/70/30/67/982703067.db2.gz JHGUZISIQYTNRG-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CC[C@H](C)CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001594959406 982706429 /nfs/dbraw/zinc/70/64/29/982706429.db2.gz SZNBAFCMWHBEMR-BLLLJJGKSA-N -1 0 309.381 3.674 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000923074731 982707720 /nfs/dbraw/zinc/70/77/20/982707720.db2.gz CXLZJQLYCGNUDW-SJORKVTESA-N -1 0 323.392 3.521 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001594959508 982707847 /nfs/dbraw/zinc/70/78/47/982707847.db2.gz WDZIWGZEQAVIET-WMLDXEAASA-N -1 0 317.429 3.631 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001594959562 982707876 /nfs/dbraw/zinc/70/78/76/982707876.db2.gz YCKYGFZHXSSPBK-ZDUSSCGKSA-N -1 0 303.402 3.880 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594959635 982708743 /nfs/dbraw/zinc/70/87/43/982708743.db2.gz ZYIZRHZVCXYMIV-DZGCQCFKSA-N -1 0 303.402 3.808 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923087729 982715690 /nfs/dbraw/zinc/71/56/90/982715690.db2.gz CQMQOVCNQBWGPZ-UHFFFAOYSA-N -1 0 324.427 3.895 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000923093830 982718969 /nfs/dbraw/zinc/71/89/69/982718969.db2.gz DJISDFOSDVTOKQ-QWHCGFSZSA-N -1 0 315.394 3.805 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000923095373 982719774 /nfs/dbraw/zinc/71/97/74/982719774.db2.gz RJZDCZKNUDGYTP-OAHLLOKOSA-N -1 0 315.394 3.887 20 0 DHADRM CCCN(C)c1ccccc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001595839500 982753103 /nfs/dbraw/zinc/75/31/03/982753103.db2.gz HAWNLPZIWGRJRN-ZHACJKMWSA-N -1 0 314.385 3.836 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)c(Cl)c1Cl ZINC001594977111 982754811 /nfs/dbraw/zinc/75/48/11/982754811.db2.gz FIQUBQGYYFYXQX-VIFPVBQESA-N -1 0 318.200 3.627 20 0 DHADRM O=C([O-])CCC1(NC(=O)CCCc2cccs2)CCCCC1 ZINC000923211942 982842683 /nfs/dbraw/zinc/84/26/83/982842683.db2.gz RZBQHKFGGPVLCM-UHFFFAOYSA-N -1 0 323.458 3.755 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1F ZINC001595885906 982910943 /nfs/dbraw/zinc/91/09/43/982910943.db2.gz LYKFPBONEDYBFH-UHFFFAOYSA-N -1 0 305.349 3.838 20 0 DHADRM C[C@@]1(Cc2noc(-c3cc(F)ccc3O)n2)CC1(Cl)Cl ZINC000834872734 1014892888 /nfs/dbraw/zinc/89/28/88/1014892888.db2.gz CSRWPSWPOZRBJO-GFCCVEGCSA-N -1 0 317.147 3.708 20 0 DHADRM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c2ccccc21 ZINC001116479406 982931121 /nfs/dbraw/zinc/93/11/21/982931121.db2.gz ZJNXZFFQUQYBNQ-UHFFFAOYSA-N -1 0 322.364 3.920 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)O[C@H](CCSC)C(=O)[O-])cc1 ZINC001595009523 982934671 /nfs/dbraw/zinc/93/46/71/982934671.db2.gz IDWHWXCGQMDWJH-SMDDNHRTSA-N -1 0 310.415 3.563 20 0 DHADRM CC[C@H](C)c1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001595009848 982936918 /nfs/dbraw/zinc/93/69/18/982936918.db2.gz KMFCNIFWMCDLOE-LBPRGKRZSA-N -1 0 313.353 3.650 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001595010464 982940337 /nfs/dbraw/zinc/94/03/37/982940337.db2.gz RBFQBSOUYXUKKD-NSHDSACASA-N -1 0 315.369 3.730 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595010552 982941942 /nfs/dbraw/zinc/94/19/42/982941942.db2.gz TVWBNPKHTXCLLO-CQSZACIVSA-N -1 0 317.429 3.965 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001595010859 982944069 /nfs/dbraw/zinc/94/40/69/982944069.db2.gz ZLQNTMVEHQNBIP-UGSOOPFHSA-N -1 0 303.402 3.527 20 0 DHADRM CCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001595969935 983193772 /nfs/dbraw/zinc/19/37/72/983193772.db2.gz TWYKEPICHOFRLJ-QGZVFWFLSA-N -1 0 315.369 3.722 20 0 DHADRM CCCOc1ccccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595974321 983200907 /nfs/dbraw/zinc/20/09/07/983200907.db2.gz RCKZNLDJCFCHKB-UHFFFAOYSA-N -1 0 313.353 3.734 20 0 DHADRM CCC[C@@H](NC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001596002388 983260599 /nfs/dbraw/zinc/26/05/99/983260599.db2.gz RSTHPKPHBFTURW-CYBMUJFWSA-N -1 0 309.431 3.779 20 0 DHADRM CCCc1c(C(=O)N2CCC[C@H](CCC)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031930 983305038 /nfs/dbraw/zinc/30/50/38/983305038.db2.gz BSTDHTZLINEYRO-ZDUSSCGKSA-N -1 0 320.433 3.626 20 0 DHADRM CCCc1c(C(=O)N[C@H](CC)[C@H]2CC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037017 983316957 /nfs/dbraw/zinc/31/69/57/983316957.db2.gz YKFNDRJOCAOLGY-CHWSQXEVSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)Nc2cc(C)ccc2F)[nH]c(C)c1C(=O)[O-] ZINC001596045576 983334580 /nfs/dbraw/zinc/33/45/80/983334580.db2.gz RXSCIXWAEAHLOQ-UHFFFAOYSA-N -1 0 318.348 3.674 20 0 DHADRM CCCc1cc(OC)c(OCc2cc(C(=O)[O-])co2)c(OC)c1 ZINC001596058295 983365064 /nfs/dbraw/zinc/36/50/64/983365064.db2.gz IRTHONOBWWFVBI-UHFFFAOYSA-N -1 0 320.341 3.527 20 0 DHADRM CCCc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])s1 ZINC001596060350 983368280 /nfs/dbraw/zinc/36/82/80/983368280.db2.gz CJHYLSMLNXRULG-UHFFFAOYSA-N -1 0 311.447 3.662 20 0 DHADRM CCCc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001596060544 983368988 /nfs/dbraw/zinc/36/89/88/983368988.db2.gz IQNNPTUFEXGXFH-UHFFFAOYSA-N -1 0 305.418 3.601 20 0 DHADRM CCCc1ccccc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001596070441 983384677 /nfs/dbraw/zinc/38/46/77/983384677.db2.gz CNXZTXIMWQDBSQ-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM CCCCC[C@H](CC)Oc1n[n-]c(=O)cc1Br ZINC001226847067 1014944995 /nfs/dbraw/zinc/94/49/95/1014944995.db2.gz RDJGKNMBMGDSOH-VIFPVBQESA-N -1 0 303.200 3.682 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)c1 ZINC000013947960 1014952591 /nfs/dbraw/zinc/95/25/91/1014952591.db2.gz NXOMJVDAADQDDE-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CC(C)CCC[C@H](C)Oc1n[n-]c(=O)cc1Br ZINC001226849490 1014950748 /nfs/dbraw/zinc/95/07/48/1014950748.db2.gz NEHKSTBXPGZDOL-VIFPVBQESA-N -1 0 303.200 3.538 20 0 DHADRM O=C(Nc1ccc(-c2ncco2)cc1)c1c([O-])cc(F)cc1F ZINC000153849930 1014953018 /nfs/dbraw/zinc/95/30/18/1014953018.db2.gz VNEAGSWRQLFVEF-UHFFFAOYSA-N -1 0 316.263 3.578 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001596167066 983531458 /nfs/dbraw/zinc/53/14/58/983531458.db2.gz FDPNUDMDYWYWQW-UHFFFAOYSA-N -1 0 319.307 3.638 20 0 DHADRM CCN(CC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001596228933 983620966 /nfs/dbraw/zinc/62/09/66/983620966.db2.gz XIMPELCEISYMMG-UHFFFAOYSA-N -1 0 306.406 3.902 20 0 DHADRM CCN(CC)C(=O)OCSc1cc(Cl)ccc1C(=O)[O-] ZINC001596249858 983652601 /nfs/dbraw/zinc/65/26/01/983652601.db2.gz BCCAXXJKRPYMMG-UHFFFAOYSA-N -1 0 317.794 3.566 20 0 DHADRM CCN(CC)C(=S)S[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596253853 983658744 /nfs/dbraw/zinc/65/87/44/983658744.db2.gz NQMUPVYLLJIRFM-LLVKDONJSA-N -1 0 317.863 3.826 20 0 DHADRM CCN(CC)c1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)cn1 ZINC001596287993 983707434 /nfs/dbraw/zinc/70/74/34/983707434.db2.gz CYIGVPVHXQSOLW-NSHDSACASA-N -1 0 319.430 3.861 20 0 DHADRM CCN(CCC1CC1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001596320781 983752300 /nfs/dbraw/zinc/75/23/00/983752300.db2.gz OHHXEQPQDYAWAM-UHFFFAOYSA-N -1 0 315.373 3.520 20 0 DHADRM CC(C)c1ncsc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000909510661 1014984618 /nfs/dbraw/zinc/98/46/18/1014984618.db2.gz LJJIPYFVZNGQRF-UHFFFAOYSA-N -1 0 318.398 3.536 20 0 DHADRM CCN1CCN(Cc2ccc(C)c(C(=O)[O-])c2)c2ccccc21 ZINC001596436178 984116338 /nfs/dbraw/zinc/11/63/38/984116338.db2.gz JRVHMGLXPQQIQZ-UHFFFAOYSA-N -1 0 310.397 3.540 20 0 DHADRM C/C(=C\C(=O)N(C)c1ccccc1C(=O)[O-])c1cccs1 ZINC001588932746 984609960 /nfs/dbraw/zinc/60/99/60/984609960.db2.gz IRWHQDPCBLYSEN-ZHACJKMWSA-N -1 0 301.367 3.513 20 0 DHADRM C/C(=C\C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1cccs1 ZINC001588933005 984610988 /nfs/dbraw/zinc/61/09/88/984610988.db2.gz ORZAXCRMGUSLGY-UKTHLTGXSA-N -1 0 323.458 3.747 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001588943894 984642661 /nfs/dbraw/zinc/64/26/61/984642661.db2.gz HSAXYQRLBREMTQ-CLFYSBASSA-N -1 0 305.717 3.673 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(C)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001588944496 984648338 /nfs/dbraw/zinc/64/83/38/984648338.db2.gz YFXHIXHBJZGOPJ-BENRWUELSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C/C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1cccs1 ZINC001588946508 984657117 /nfs/dbraw/zinc/65/71/17/984657117.db2.gz RINZQXDVLRFFOV-UCQJPZFISA-N -1 0 315.394 3.978 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nnc(-c2ccccc2Cl)o1 ZINC001588951716 984681805 /nfs/dbraw/zinc/68/18/05/984681805.db2.gz DWTGUKXCLYZQGB-VURMDHGXSA-N -1 0 310.762 3.513 20 0 DHADRM C/C(=C\C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccco1 ZINC001588953303 984694489 /nfs/dbraw/zinc/69/44/89/984694489.db2.gz NRQUZLVPASWUBH-FBOQAHMBSA-N -1 0 304.298 3.587 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001588953619 984697511 /nfs/dbraw/zinc/69/75/11/984697511.db2.gz XHFGKVMTPHYAFI-VAWYXSNFSA-N -1 0 301.386 3.656 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001599891905 984704299 /nfs/dbraw/zinc/70/42/99/984704299.db2.gz WZUNADAWJACXAH-CYBMUJFWSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccccc1 ZINC001599904865 984909150 /nfs/dbraw/zinc/90/91/50/984909150.db2.gz IMBKDDYUIKYAPK-AXHNFQJDSA-N -1 0 310.349 3.549 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001588998101 984934262 /nfs/dbraw/zinc/93/42/62/984934262.db2.gz HOVFCKJSPUCXMF-CLFYSBASSA-N -1 0 319.357 3.936 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1(C)C ZINC001599908266 984951297 /nfs/dbraw/zinc/95/12/97/984951297.db2.gz QNODBOADFKRTKL-RFUYNDQBSA-N -1 0 323.477 3.989 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)CC2(CC(=O)[O-])CCCC2)C1(C)C ZINC001599908361 984951765 /nfs/dbraw/zinc/95/17/65/984951765.db2.gz WCVNWTZWJRGLBR-KSSFIOAISA-N -1 0 323.477 3.990 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC001599908415 984953171 /nfs/dbraw/zinc/95/31/71/984953171.db2.gz ZDGAYGLVUPTQLP-BTDLBPIBSA-N -1 0 307.365 3.925 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001589003487 984953285 /nfs/dbraw/zinc/95/32/85/984953285.db2.gz BILSPJRWFOGQBX-QYMJWVLRSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@H]1CC[C@H](C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)CC1 ZINC001599909116 984962099 /nfs/dbraw/zinc/96/20/99/984962099.db2.gz RRRUOHSSDNIXAA-HAQNSBGRSA-N -1 0 312.369 3.698 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001589010656 984981427 /nfs/dbraw/zinc/98/14/27/984981427.db2.gz ONUICFXYCGBTMQ-CLFYSBASSA-N -1 0 305.717 3.673 20 0 DHADRM CCOC(=O)c1cccc(SC[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001596730756 984997047 /nfs/dbraw/zinc/99/70/47/984997047.db2.gz PKYHABIJCDBEGC-UKRRQHHQSA-N -1 0 322.426 3.846 20 0 DHADRM CCO[C@H](C(=O)Nc1ccc(C)c(C)c1C(=O)[O-])C1CCCC1 ZINC001596766449 985172152 /nfs/dbraw/zinc/17/21/52/985172152.db2.gz CXGTZHVUCXXYNY-INIZCTEOSA-N -1 0 319.401 3.535 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599935057 985380639 /nfs/dbraw/zinc/38/06/39/985380639.db2.gz SUFWSQBMJJTBNG-KKXDTOCCSA-N -1 0 323.392 3.642 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC001594479149 985511998 /nfs/dbraw/zinc/51/19/98/985511998.db2.gz UBBANTDYNVOMRB-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM CC(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656765263 1015138027 /nfs/dbraw/zinc/13/80/27/1015138027.db2.gz NFDFTOVPEGRZDV-SOUVJXGZSA-N -1 0 322.474 3.732 20 0 DHADRM Cc1[nH]c(C(=O)CSCC2CCCCC2)c(C)c1C(=O)[O-] ZINC001599949699 985587129 /nfs/dbraw/zinc/58/71/29/985587129.db2.gz PHCPWEYVLBXTBK-UHFFFAOYSA-N -1 0 309.431 3.826 20 0 DHADRM CCOC1CCC(Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001596852665 985588330 /nfs/dbraw/zinc/58/83/30/985588330.db2.gz KBUSDQHEKAKLMZ-UHFFFAOYSA-N -1 0 321.417 3.932 20 0 DHADRM CC(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656765261 1015138218 /nfs/dbraw/zinc/13/82/18/1015138218.db2.gz NFDFTOVPEGRZDV-KKUMJFAQSA-N -1 0 322.474 3.732 20 0 DHADRM CC(=O)Nc1cccc(CSCc2ccccc2C(=O)[O-])c1 ZINC001589210398 985693209 /nfs/dbraw/zinc/69/32/09/985693209.db2.gz KPLFLNZSWYOOHP-UHFFFAOYSA-N -1 0 315.394 3.777 20 0 DHADRM Cc1[nH]c(CN(Cc2ccco2)Cc2ccccc2)cc1C(=O)[O-] ZINC001599961454 985789897 /nfs/dbraw/zinc/78/98/97/985789897.db2.gz GSZPZPMZISSBAP-UHFFFAOYSA-N -1 0 324.380 3.817 20 0 DHADRM Cc1[nH]c(CN2CC3(CCCC3)c3ccccc32)cc1C(=O)[O-] ZINC001599962345 985809513 /nfs/dbraw/zinc/80/95/13/985809513.db2.gz NQEGMYUIFOCXHX-UHFFFAOYSA-N -1 0 310.397 3.853 20 0 DHADRM Cc1[nH]c(CNc2ccc(F)cc2OC(C)C)cc1C(=O)[O-] ZINC001599963621 985849586 /nfs/dbraw/zinc/84/95/86/985849586.db2.gz PKJPKUZNCFKVEJ-UHFFFAOYSA-N -1 0 306.337 3.560 20 0 DHADRM CC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cs1 ZINC001589267710 985948469 /nfs/dbraw/zinc/94/84/69/985948469.db2.gz HZSRWJFHSWLFOV-JTQLQIEISA-N -1 0 318.350 3.567 20 0 DHADRM CC(=O)c1ccc(OCc2cc(C(=O)[O-])ccc2F)cc1Cl ZINC001589297321 986040489 /nfs/dbraw/zinc/04/04/89/986040489.db2.gz LDLLZCDTPSOPFR-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CC(=O)c1ccccc1OCc1c(Cl)cccc1C(=O)[O-] ZINC001589316343 986111990 /nfs/dbraw/zinc/11/19/90/986111990.db2.gz SGLYZTMGJFLAPU-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CC(=O)c1csc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001589322542 986133477 /nfs/dbraw/zinc/13/34/77/986133477.db2.gz GWBANXCSNDCUBB-UHFFFAOYSA-N -1 0 324.741 3.522 20 0 DHADRM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594547164 986220809 /nfs/dbraw/zinc/22/08/09/986220809.db2.gz HJLSSBWTNSPNEY-SECBINFHSA-N -1 0 323.801 3.887 20 0 DHADRM C[C@H]([C@H](C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1)C(C)(C)C ZINC001589342280 986266314 /nfs/dbraw/zinc/26/63/14/986266314.db2.gz HUUMAKJRVFPSDC-QWHCGFSZSA-N -1 0 323.408 3.952 20 0 DHADRM FC(F)(F)c1nc(=N[C@@H]2CCSc3ccccc32)s[n-]1 ZINC000341340111 1015206690 /nfs/dbraw/zinc/20/66/90/1015206690.db2.gz IQHLXFZDKUTXBF-MRVPVSSYSA-N -1 0 317.361 3.628 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC[C@H]1CC ZINC001597010128 986349192 /nfs/dbraw/zinc/34/91/92/986349192.db2.gz VOTAKBRYHAMCGA-YPMHNXCESA-N -1 0 305.374 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@@H](C)CC ZINC001597016560 986382510 /nfs/dbraw/zinc/38/25/10/986382510.db2.gz FVAUSDULLUXBCW-RYUDHWBXSA-N -1 0 322.405 3.730 20 0 DHADRM C[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@H](C)C(C)(C)C ZINC001589365730 986394651 /nfs/dbraw/zinc/39/46/51/986394651.db2.gz YNSATLOFLNNTAW-STQMWFEESA-N -1 0 317.429 3.588 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])C(C)(C)C ZINC001589368739 986402434 /nfs/dbraw/zinc/40/24/34/986402434.db2.gz KQCFKIZCMDHKMR-ZENOOKHLSA-N -1 0 317.429 3.515 20 0 DHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1 ZINC001597062226 986553797 /nfs/dbraw/zinc/55/37/97/986553797.db2.gz SXJOVIOLSRXYMN-UHFFFAOYSA-N -1 0 313.353 3.598 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594614973 986631232 /nfs/dbraw/zinc/63/12/32/986631232.db2.gz KHSFFRHYUYLBHG-UTUOFQBUSA-N -1 0 321.804 3.509 20 0 DHADRM C[C@@H]1Cc2ccccc2N1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001594624573 986685858 /nfs/dbraw/zinc/68/58/58/986685858.db2.gz YNYYZTWUQPXEHG-CYBMUJFWSA-N -1 0 318.376 3.884 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])c1ccco1 ZINC001589430743 986721254 /nfs/dbraw/zinc/72/12/54/986721254.db2.gz CCFWAOGSXCWNTL-ZETCQYMHSA-N -1 0 311.696 3.513 20 0 DHADRM CCOc1ccc(CN2CCCCc3cc(C(=O)[O-])ccc32)o1 ZINC001597101965 986723880 /nfs/dbraw/zinc/72/38/80/986723880.db2.gz KUXPVYKNOHSCOY-UHFFFAOYSA-N -1 0 315.369 3.719 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001589435949 986748301 /nfs/dbraw/zinc/74/83/01/986748301.db2.gz OERXIZBTTMMLQD-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589444554 986800281 /nfs/dbraw/zinc/80/02/81/986800281.db2.gz ILQKHHLUAZPIAY-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CCC1 ZINC001589445919 986817034 /nfs/dbraw/zinc/81/70/34/986817034.db2.gz ZVGCNPDTJZMWFI-VIFPVBQESA-N -1 0 303.383 3.974 20 0 DHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C1CC1 ZINC001589448922 986832881 /nfs/dbraw/zinc/83/28/81/986832881.db2.gz WLSTXPROZAYXJO-SECBINFHSA-N -1 0 307.415 3.700 20 0 DHADRM CCOc1cccc(Cl)c1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC001597155703 986953637 /nfs/dbraw/zinc/95/36/37/986953637.db2.gz SKZQVCBXDUXWOJ-MRXNPFEDSA-N -1 0 319.788 3.654 20 0 DHADRM C[C@@H]1Sc2ccccc2N(Cc2nc(C(=O)[O-])cs2)[C@H]1C ZINC001594665571 986959566 /nfs/dbraw/zinc/95/95/66/986959566.db2.gz INNCFGANNGWOFX-UWVGGRQHSA-N -1 0 320.439 3.731 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)CC ZINC001594677435 987015274 /nfs/dbraw/zinc/01/52/74/987015274.db2.gz NEQOHYCOVNSGNY-ISORBJLWSA-N -1 0 323.392 3.994 20 0 DHADRM C/C=C/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594683026 987034129 /nfs/dbraw/zinc/03/41/29/987034129.db2.gz BZCAPMLKMPRXBF-MQQKCMAXSA-N -1 0 300.141 3.762 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001594686209 987062994 /nfs/dbraw/zinc/06/29/94/987062994.db2.gz PUGXOLGWCUXLNX-VUDBWIFFSA-N -1 0 308.403 3.656 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 ZINC001589502282 987103836 /nfs/dbraw/zinc/10/38/36/987103836.db2.gz DLLBADHCGGEFEN-SFDCQRBFSA-N -1 0 303.402 3.886 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC001589504829 987116349 /nfs/dbraw/zinc/11/63/49/987116349.db2.gz NNDZOXGLMNJMHL-RYUDHWBXSA-N -1 0 316.357 3.693 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2(C3CCC3)CCC2)cc1 ZINC001589507805 987125006 /nfs/dbraw/zinc/12/50/06/987125006.db2.gz DFQHXKCYCICREW-LBPRGKRZSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC2(C3CCC3)CCC2)cc1 ZINC001589507804 987125152 /nfs/dbraw/zinc/12/51/52/987125152.db2.gz DFQHXKCYCICREW-GFCCVEGCSA-N -1 0 316.401 3.719 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC001589508785 987130707 /nfs/dbraw/zinc/13/07/07/987130707.db2.gz MEFADJRKPSKGAI-HIFRSBDPSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC23CCC(CC2)CC3)cc1 ZINC001589512019 987144967 /nfs/dbraw/zinc/14/49/67/987144967.db2.gz FVYCRIKVJYRXLU-ZVLZOBCMSA-N -1 0 316.401 3.719 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC001589513846 987161180 /nfs/dbraw/zinc/16/11/80/987161180.db2.gz YQFCWFXKAYLLKQ-KBPBESRZSA-N -1 0 316.401 3.743 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001589532223 987211384 /nfs/dbraw/zinc/21/13/84/987211384.db2.gz OPTORAOVGBAKSB-OAUYIBNBSA-N -1 0 309.365 3.617 20 0 DHADRM CC[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594724681 987221837 /nfs/dbraw/zinc/22/18/37/987221837.db2.gz AROQXWWVRFEDBE-NQKKVCCDSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C1CCC(C)CC1 ZINC001594729236 987240920 /nfs/dbraw/zinc/24/09/20/987240920.db2.gz PDCGQRYIFTYPOT-NEXFUWMNSA-N -1 0 311.466 3.845 20 0 DHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)C1CCC(C)CC1 ZINC001594729508 987242937 /nfs/dbraw/zinc/24/29/37/987242937.db2.gz STECFFXPCMALMV-DVTFPSANSA-N -1 0 323.458 3.843 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC001589540405 987243472 /nfs/dbraw/zinc/24/34/72/987243472.db2.gz XFUWJBRUWAQUMR-CYBMUJFWSA-N -1 0 321.380 3.877 20 0 DHADRM CC[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccccc1 ZINC001594733836 987256491 /nfs/dbraw/zinc/25/64/91/987256491.db2.gz HMZRORVFBUFHGN-INIZCTEOSA-N -1 0 317.429 3.864 20 0 DHADRM CC[C@H](C(=O)NC1(CC(=O)[O-])CCCC1)C1CCC(C)CC1 ZINC001594734136 987258583 /nfs/dbraw/zinc/25/85/83/987258583.db2.gz NTYNPKMIGPEMGQ-NRXISQOPSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589544283 987264785 /nfs/dbraw/zinc/26/47/85/987264785.db2.gz XQVFACHEHXMIFA-QPUJVOFHSA-N -1 0 316.275 3.504 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001594735099 987266837 /nfs/dbraw/zinc/26/68/37/987266837.db2.gz HXZLHUHLMSPBBF-AWEZNQCLSA-N -1 0 313.353 3.526 20 0 DHADRM CC[C@@H](C(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccccc1 ZINC001594735350 987268646 /nfs/dbraw/zinc/26/86/46/987268646.db2.gz LYAIWISFUBZDMH-LLVKDONJSA-N -1 0 319.307 3.795 20 0 DHADRM CC[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)C1CCC(C)CC1 ZINC001594735688 987270951 /nfs/dbraw/zinc/27/09/51/987270951.db2.gz PYRLLPBXBRVDOY-XIVSLSHWSA-N -1 0 324.446 3.561 20 0 DHADRM CC[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)C1CCC(C)CC1 ZINC001594735687 987271200 /nfs/dbraw/zinc/27/12/00/987271200.db2.gz PYRLLPBXBRVDOY-GCZXYKMCSA-N -1 0 324.446 3.561 20 0 DHADRM C[C@@H](C(=O)OCC1(CC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC001589548222 987274672 /nfs/dbraw/zinc/27/46/72/987274672.db2.gz CCKBGYDAVLZJAH-CYBMUJFWSA-N -1 0 312.365 3.741 20 0 DHADRM CC[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC001594736348 987276021 /nfs/dbraw/zinc/27/60/21/987276021.db2.gz XTRFXKXHFLMGJV-HNNXBMFYSA-N -1 0 315.344 3.585 20 0 DHADRM CCSc1ccccc1OC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001597279828 987344956 /nfs/dbraw/zinc/34/49/56/987344956.db2.gz MMBMKWUYGHWKKP-CSKARUKUSA-N -1 0 318.350 3.709 20 0 DHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)c(C)c1 ZINC001597293838 987391742 /nfs/dbraw/zinc/39/17/42/987391742.db2.gz PDWPKOOUFCOWAN-OAHLLOKOSA-N -1 0 317.316 3.535 20 0 DHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008105110 1015308591 /nfs/dbraw/zinc/30/85/91/1015308591.db2.gz LCUOJOLUCPFNTJ-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC001597356300 987505220 /nfs/dbraw/zinc/50/52/20/987505220.db2.gz UNWWRIXSIUWSPK-ZOBUZTSGSA-N -1 0 317.429 3.762 20 0 DHADRM CCc1[nH]c(C(=O)NCC[C@H](C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001597368175 987547420 /nfs/dbraw/zinc/54/74/20/987547420.db2.gz MOUAHGVHBNMFIP-NSHDSACASA-N -1 0 322.449 3.776 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2(C3CC3)CCC2)cc1 ZINC001589636200 987552072 /nfs/dbraw/zinc/55/20/72/987552072.db2.gz GWSYWQAVOGANEQ-UHFFFAOYSA-N -1 0 316.401 3.503 20 0 DHADRM CCc1[nH]c(CN2CC(C)(C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383458 987583892 /nfs/dbraw/zinc/58/38/92/987583892.db2.gz FFXIBZVKCYDHFD-KRWDZBQOSA-N -1 0 312.413 3.858 20 0 DHADRM CCc1[nH]c(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384241 987587303 /nfs/dbraw/zinc/58/73/03/987587303.db2.gz ISJTWARUWNPWBE-BLLLJJGKSA-N -1 0 316.401 3.842 20 0 DHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001589698306 987779695 /nfs/dbraw/zinc/77/96/95/987779695.db2.gz AIBCFAOCDDCNQL-UHFFFAOYSA-N -1 0 321.354 3.520 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc3c(o2)CCCC3)s1 ZINC001597443550 987809742 /nfs/dbraw/zinc/80/97/42/987809742.db2.gz NAQFETYFLBEYDV-UHFFFAOYSA-N -1 0 319.382 3.733 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccco2)s1 ZINC001589704519 987812699 /nfs/dbraw/zinc/81/26/99/987812699.db2.gz MTGSMOBXDPJXDV-ZDUSSCGKSA-N -1 0 321.398 3.627 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2coc(C(F)F)c2)s1 ZINC001597444793 987814159 /nfs/dbraw/zinc/81/41/59/987814159.db2.gz BAGZIBIABLMLJL-UHFFFAOYSA-N -1 0 315.297 3.792 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2csc(C3CC3)n2)s1 ZINC001597444870 987814876 /nfs/dbraw/zinc/81/48/76/987814876.db2.gz CRTFEMCJYQBFAW-UHFFFAOYSA-N -1 0 322.411 3.595 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc2[nH]ccc2c1 ZINC001589706541 987825036 /nfs/dbraw/zinc/82/50/36/987825036.db2.gz XMPGJXQSOQCFLU-UHFFFAOYSA-N -1 0 308.337 3.533 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1cc(C)ccc1F ZINC001597451467 987841746 /nfs/dbraw/zinc/84/17/46/987841746.db2.gz BKQPGSOLMPRLFV-UHFFFAOYSA-N -1 0 315.344 3.576 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@@H]1CC ZINC001597452264 987847374 /nfs/dbraw/zinc/84/73/74/987847374.db2.gz 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987898907 /nfs/dbraw/zinc/89/89/07/987898907.db2.gz NAPNRPIXEYWYPN-UHFFFAOYSA-N -1 0 322.364 3.691 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc(Cl)c1 ZINC001597465477 987905549 /nfs/dbraw/zinc/90/55/49/987905549.db2.gz HKIJNOFLYXMDCS-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001597465813 987907749 /nfs/dbraw/zinc/90/77/49/987907749.db2.gz YAGVQGPHIRYYQG-DLBZAZTESA-N -1 0 323.392 3.998 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1oc(C(C)C)nc1C ZINC001597465942 987909068 /nfs/dbraw/zinc/90/90/68/987909068.db2.gz KFQMJJOTDRVESW-UHFFFAOYSA-N -1 0 316.357 3.619 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001597471464 987933963 /nfs/dbraw/zinc/93/39/63/987933963.db2.gz MXAWRVXODPVBOF-WKILWMFISA-N -1 0 317.429 3.949 20 0 DHADRM CCc1cc(Cl)cnc1NCc1ccc(C(=O)[O-])c(C)c1 ZINC001597476592 987940020 /nfs/dbraw/zinc/94/00/20/987940020.db2.gz FTDDURUBRMRMDF-UHFFFAOYSA-N -1 0 304.777 3.916 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589729184 987941352 /nfs/dbraw/zinc/94/13/52/987941352.db2.gz VMYIRYNPOPCKNS-WCQYABFASA-N -1 0 322.380 3.860 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589729495 987945307 /nfs/dbraw/zinc/94/53/07/987945307.db2.gz ZHWGKDKBDXRUMI-CVEARBPZSA-N -1 0 317.429 3.967 20 0 DHADRM CCc1cc(SCc2cccc(C(=O)[O-])n2)c(C)cc1OC ZINC001597489065 988005205 /nfs/dbraw/zinc/00/52/05/988005205.db2.gz WSPGGZRUZGSILB-UHFFFAOYSA-N -1 0 317.410 3.952 20 0 DHADRM CSCC(C)(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599790905 988005690 /nfs/dbraw/zinc/00/56/90/988005690.db2.gz OFNMLXCNBMJKMR-UHFFFAOYSA-N -1 0 319.785 3.505 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001589743116 988021441 /nfs/dbraw/zinc/02/14/41/988021441.db2.gz DDLXFQLVRXZOSJ-GOEBONIOSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1ccc(-c2noc(-c3cccc(CC(=O)[O-])c3)n2)cc1 ZINC001597491958 988022287 /nfs/dbraw/zinc/02/22/87/988022287.db2.gz LTPFBUVWQWXEQK-UHFFFAOYSA-N -1 0 308.337 3.593 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001589743169 988022418 /nfs/dbraw/zinc/02/24/18/988022418.db2.gz FRSMBBOYDHQXDK-BCLQGDPASA-N -1 0 317.429 3.576 20 0 DHADRM CCc1ccc(-c2nc(S[C@H](C(=O)[O-])[C@@H](C)CC)n[nH]2)cc1 ZINC001597492028 988022725 /nfs/dbraw/zinc/02/27/25/988022725.db2.gz OFGHTVFVMSVKHH-GWCFXTLKSA-N -1 0 319.430 3.626 20 0 DHADRM CCc1ccc(-c2nc(S[C@H](CC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC001597492642 988030704 /nfs/dbraw/zinc/03/07/04/988030704.db2.gz XORRBQYFRGQALS-CYBMUJFWSA-N -1 0 319.430 3.626 20 0 DHADRM CSCC1(CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CC1 ZINC001599793351 988048863 /nfs/dbraw/zinc/04/88/63/988048863.db2.gz FNHBJCSZVPWPCV-UHFFFAOYSA-N -1 0 313.806 3.510 20 0 DHADRM CCc1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC001597498867 988049079 /nfs/dbraw/zinc/04/90/79/988049079.db2.gz QIOODJQKCIFXDP-UHFFFAOYSA-N -1 0 311.447 3.520 20 0 DHADRM CC(C)(C)C[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(F)cc1 ZINC001589756694 988066399 /nfs/dbraw/zinc/06/63/99/988066399.db2.gz CUVORRMPWLAYIQ-AWEZNQCLSA-N -1 0 317.364 3.903 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1cccc(C(F)F)c1F)C(=O)[O-] ZINC001589761589 988089466 /nfs/dbraw/zinc/08/94/66/988089466.db2.gz CNHTUCXUYAPTST-JTQLQIEISA-N -1 0 318.291 3.810 20 0 DHADRM CC(C)(C)C[C@@H](Sc1ccc(-c2ccco2)nn1)C(=O)[O-] ZINC001589761697 988089705 /nfs/dbraw/zinc/08/97/05/988089705.db2.gz GNKJDJCIGDOXAW-GFCCVEGCSA-N -1 0 306.387 3.718 20 0 DHADRM CCS[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])C(C)C ZINC000474436592 1015360080 /nfs/dbraw/zinc/36/00/80/1015360080.db2.gz VFIMTIKWNJYMJG-LBPRGKRZSA-N -1 0 305.802 3.901 20 0 DHADRM CCS[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])C(C)C ZINC000474436591 1015360576 /nfs/dbraw/zinc/36/05/76/1015360576.db2.gz VFIMTIKWNJYMJG-GFCCVEGCSA-N -1 0 305.802 3.901 20 0 DHADRM CCc1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001597513846 988115747 /nfs/dbraw/zinc/11/57/47/988115747.db2.gz BZBDEJHSQWZJAN-BBWFWOEESA-N -1 0 317.429 3.563 20 0 DHADRM CC(C)(C)CN(C(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC001589780069 988147120 /nfs/dbraw/zinc/14/71/20/988147120.db2.gz IQMKFHQIAPDAQT-UHFFFAOYSA-N -1 0 315.369 3.600 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589784036 988160926 /nfs/dbraw/zinc/16/09/26/988160926.db2.gz HIKZJCZDWQKWGG-SWLSCSKDSA-N -1 0 319.401 3.551 20 0 DHADRM CCOc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474448612 1015366559 /nfs/dbraw/zinc/36/65/59/1015366559.db2.gz SSWDIBIOSRNPQR-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CC(C)(C)Cc1ncc(C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC001589792713 988181283 /nfs/dbraw/zinc/18/12/83/988181283.db2.gz JLNNGACWSSRHDG-UHFFFAOYSA-N -1 0 324.427 3.744 20 0 DHADRM CCc1ccc(N(C(=O)c2ccoc2CC(=O)[O-])C(C)C)cc1 ZINC001597531127 988190635 /nfs/dbraw/zinc/19/06/35/988190635.db2.gz XNLQAKFRLACQNC-UHFFFAOYSA-N -1 0 315.369 3.524 20 0 DHADRM CSCCc1ccc(NCc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001599802022 988192287 /nfs/dbraw/zinc/19/22/87/988192287.db2.gz QPJNIUWXMIZIDY-UHFFFAOYSA-N -1 0 304.415 3.539 20 0 DHADRM CCc1ccc(N(CC)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001597533777 988196719 /nfs/dbraw/zinc/19/67/19/988196719.db2.gz QKXSCCPIAPQOJS-UHFFFAOYSA-N -1 0 301.342 3.515 20 0 DHADRM CSCc1cccc(CNc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599802984 988208244 /nfs/dbraw/zinc/20/82/44/988208244.db2.gz DGJTYLSTYNVGPC-UHFFFAOYSA-N -1 0 322.817 3.908 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)c(C(=O)[O-])c1 ZINC001597542432 988230806 /nfs/dbraw/zinc/23/08/06/988230806.db2.gz BMLJHHDBJIWOGC-ZDUSSCGKSA-N -1 0 301.386 3.856 20 0 DHADRM CCc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c(C(=O)[O-])c1 ZINC001597542741 988232838 /nfs/dbraw/zinc/23/28/38/988232838.db2.gz JJTKJJFPQICQKO-RYUDHWBXSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)c(C(=O)[O-])c1 ZINC001597547556 988261153 /nfs/dbraw/zinc/26/11/53/988261153.db2.gz LSRKQJTYXULJCK-ZDUSSCGKSA-N -1 0 322.380 3.551 20 0 DHADRM CCc1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC001597551018 988271745 /nfs/dbraw/zinc/27/17/45/988271745.db2.gz SVDKGWZCHLOSRL-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CSc1cc(C(=O)OC2CCC(CC(=O)[O-])CC2)c(C)o1 ZINC001599807808 988285145 /nfs/dbraw/zinc/28/51/45/988285145.db2.gz XIFGFOFPNGKRMI-UHFFFAOYSA-N -1 0 312.387 3.500 20 0 DHADRM CCc1ccc(OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(C(C)(C)C)c1 ZINC001597556478 988290318 /nfs/dbraw/zinc/29/03/18/988290318.db2.gz NRQFILXAVCUEQB-KGLIPLIRSA-N -1 0 318.413 3.953 20 0 DHADRM CSc1cc(C(=O)O[C@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC001599808276 988291326 /nfs/dbraw/zinc/29/13/26/988291326.db2.gz ARYVUZOTOIZZOL-ZCFIWIBFSA-N -1 0 323.197 3.735 20 0 DHADRM CCc1ccc2ccccc2c1CN1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001597569137 988331294 /nfs/dbraw/zinc/33/12/94/988331294.db2.gz QSTQHCRHTCOYSZ-MRXNPFEDSA-N -1 0 319.351 3.696 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)c(F)c(C)c1 ZINC001597573930 988359256 /nfs/dbraw/zinc/35/92/56/988359256.db2.gz WRFCAKZXFQYECG-UHFFFAOYSA-N -1 0 315.344 3.955 20 0 DHADRM CSc1ccc(NC(=O)CCc2ccsc2)cc1C(=O)[O-] ZINC001599815387 988414366 /nfs/dbraw/zinc/41/43/66/988414366.db2.gz ISNBNBKSYSCBQG-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CSc1ccc(NC(=O)c2ccsc2C)cc1C(=O)[O-] ZINC001599816746 988439370 /nfs/dbraw/zinc/43/93/70/988439370.db2.gz ALIARTZGKPHOCA-UHFFFAOYSA-N -1 0 307.396 3.729 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001599817088 988446155 /nfs/dbraw/zinc/44/61/55/988446155.db2.gz QMMJDBUYPLLKKE-GARJFASQSA-N -1 0 322.430 3.615 20 0 DHADRM CSc1ccc(NC(=O)c2ccoc2Cl)cc1C(=O)[O-] ZINC001599818025 988460982 /nfs/dbraw/zinc/46/09/82/988460982.db2.gz YIDKGTPSCYBDOO-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CSc1ccc(NC(=O)c2cccc(C)c2F)cc1C(=O)[O-] ZINC001599818150 988464162 /nfs/dbraw/zinc/46/41/62/988464162.db2.gz ZYWYDDYAQZMOIC-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1ccc(NC(=O)NCCC2CC=CC2)cc1C(=O)[O-] ZINC001599818193 988465247 /nfs/dbraw/zinc/46/52/47/988465247.db2.gz AQLPHTXTEIBUDC-UHFFFAOYSA-N -1 0 320.414 3.585 20 0 DHADRM CCc1ccccc1CC(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001597609120 988491108 /nfs/dbraw/zinc/49/11/08/988491108.db2.gz KOQDTJKQBJDJIU-UHFFFAOYSA-N -1 0 312.365 3.542 20 0 DHADRM CSc1ccc(NCc2cc(C)nc(C)c2)cc1C(=O)[O-] ZINC001599820949 988511975 /nfs/dbraw/zinc/51/19/75/988511975.db2.gz QOWRCYKDDMXNKJ-UHFFFAOYSA-N -1 0 302.399 3.731 20 0 DHADRM CCc1ccccc1Cc1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001597612252 988512888 /nfs/dbraw/zinc/51/28/88/988512888.db2.gz VPNYWXWOIYXBSG-LSDHHAIUSA-N -1 0 314.385 3.581 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001599821236 988516475 /nfs/dbraw/zinc/51/64/75/988516475.db2.gz QCMWWLOCAWOJEQ-YUTCNCBUSA-N -1 0 322.426 3.904 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC001599821203 988516600 /nfs/dbraw/zinc/51/66/00/988516600.db2.gz NSRCAGOTBGMMTI-NSHDSACASA-N -1 0 310.415 3.904 20 0 DHADRM CSc1cccc(F)c1CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC001599822670 988541439 /nfs/dbraw/zinc/54/14/39/988541439.db2.gz WUBZYKGFGBOYDF-BQYQJAHWSA-N -1 0 321.373 3.528 20 0 DHADRM CSc1cccc(F)c1CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC001599822671 988542042 /nfs/dbraw/zinc/54/20/42/988542042.db2.gz WUBZYKGFGBOYDF-FPLPWBNLSA-N -1 0 321.373 3.528 20 0 DHADRM CSc1cccc(N(C)[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599822844 988544027 /nfs/dbraw/zinc/54/40/27/988544027.db2.gz YSUYNALVVYEAGO-SECBINFHSA-N -1 0 308.428 3.761 20 0 DHADRM CSc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599823512 988556402 /nfs/dbraw/zinc/55/64/02/988556402.db2.gz UHXMQXAXUBYNLJ-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1ccccc1CN(C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599824049 988565264 /nfs/dbraw/zinc/56/52/64/988565264.db2.gz OVZYMJBWJLHICY-JTQLQIEISA-N -1 0 322.455 3.756 20 0 DHADRM CCc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001597626432 988576966 /nfs/dbraw/zinc/57/69/66/988576966.db2.gz QYOMZQJCEUMFBW-GFCCVEGCSA-N -1 0 324.785 3.947 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccccc1C ZINC000013169901 1015401118 /nfs/dbraw/zinc/40/11/18/1015401118.db2.gz AHDMFMOYGNGKSE-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM CC(C)(C)OC(=O)CS[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001589898387 988591033 /nfs/dbraw/zinc/59/10/33/988591033.db2.gz CHXXZIOQYCEVMD-GFCCVEGCSA-N -1 0 316.806 3.541 20 0 DHADRM CSc1ccsc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001599826372 988604407 /nfs/dbraw/zinc/60/44/07/988604407.db2.gz LRZQJPWTYCQEJC-UHFFFAOYSA-N -1 0 318.379 3.885 20 0 DHADRM CCc1csc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001597641814 988641241 /nfs/dbraw/zinc/64/12/41/988641241.db2.gz LAHIBOMELWOXCS-LBPRGKRZSA-N -1 0 311.403 3.633 20 0 DHADRM CCc1nc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)o1 ZINC001597650841 988682149 /nfs/dbraw/zinc/68/21/49/988682149.db2.gz BIHLQAMYPDCFCW-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(C2CCCCC2)c1 ZINC001599832590 988695739 /nfs/dbraw/zinc/69/57/39/988695739.db2.gz IYGVLHIDUVDGQQ-LBPRGKRZSA-N -1 0 304.390 3.719 20 0 DHADRM CCc1nc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])cs2)cs1 ZINC001597655731 988704659 /nfs/dbraw/zinc/70/46/59/988704659.db2.gz DKBMPVYPTFEOOW-RKDXNWHRSA-N -1 0 310.444 3.877 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)c1sc2cc(F)ccc2c1Cl ZINC001599834564 988723048 /nfs/dbraw/zinc/72/30/48/988723048.db2.gz GKDPAEMIESJXNV-LURJTMIESA-N -1 0 316.737 3.714 20 0 DHADRM CCc1nc(NC(=O)C2(CC)CCCCC2)sc1C(=O)[O-] ZINC001597675611 988785084 /nfs/dbraw/zinc/78/50/84/988785084.db2.gz GOHOKNIQPBLEHZ-UHFFFAOYSA-N -1 0 310.419 3.703 20 0 DHADRM Cc1cc(C)cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013252622 1015424561 /nfs/dbraw/zinc/42/45/61/1015424561.db2.gz RSGYBTTYZGLWPE-LJQANCHMSA-N -1 0 311.381 3.675 20 0 DHADRM CCc1oc(C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1C ZINC001597760670 989181894 /nfs/dbraw/zinc/18/18/94/989181894.db2.gz IBGPGHGNKKGGFL-UHFFFAOYSA-N -1 0 315.369 3.580 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2cc(Cl)ccc21 ZINC001597766342 989211978 /nfs/dbraw/zinc/21/19/78/989211978.db2.gz NCXODMMXOPRUAT-UHFFFAOYSA-N -1 0 305.761 3.756 20 0 DHADRM C[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)c2ccccc2O1 ZINC001599870633 989344492 /nfs/dbraw/zinc/34/44/92/989344492.db2.gz FDDDCOFYBUJVRD-VXNVDRBHSA-N -1 0 324.789 3.819 20 0 DHADRM CCc1oc(CN2C[C@H](C)Oc3ccc(C)cc32)cc1C(=O)[O-] ZINC001597795946 989350242 /nfs/dbraw/zinc/35/02/42/989350242.db2.gz HMWDGBATXBVUQP-LBPRGKRZSA-N -1 0 315.369 3.636 20 0 DHADRM CCc1oc(CN2CC(C)(C)c3ccc(F)cc32)cc1C(=O)[O-] ZINC001597796219 989353196 /nfs/dbraw/zinc/35/31/96/989353196.db2.gz KHZXOFOZDNVUDY-UHFFFAOYSA-N -1 0 317.360 3.977 20 0 DHADRM C[C@@H]1C[C@H](OC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC(C)(C)C1 ZINC001599879718 989467566 /nfs/dbraw/zinc/46/75/66/989467566.db2.gz DFLHZNPYALKNBP-HASJVIIQSA-N -1 0 306.358 3.749 20 0 DHADRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599880827 989481563 /nfs/dbraw/zinc/48/15/63/989481563.db2.gz BTKBBVQDDUHTHP-KHSQJDLVSA-N -1 0 324.380 3.704 20 0 DHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCC1CCCCC1 ZINC000648044359 1015517082 /nfs/dbraw/zinc/51/70/82/1015517082.db2.gz UZJXMGACFRQFDT-UHFFFAOYSA-N -1 0 317.429 3.850 20 0 DHADRM CC(C)(C)OCc1cccc(NCc2nc(C(=O)[O-])cs2)c1 ZINC001590398443 989929587 /nfs/dbraw/zinc/92/95/87/989929587.db2.gz FGQSJSBEZNDQKD-UHFFFAOYSA-N -1 0 320.414 3.769 20 0 DHADRM CC(C)(C)Oc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001590409291 989945538 /nfs/dbraw/zinc/94/55/38/989945538.db2.gz IBKQXLLTUOZQDM-UHFFFAOYSA-N -1 0 314.337 3.781 20 0 DHADRM CC(C)(C)Oc1cc(F)ccc1NCc1ncc(C(=O)[O-])s1 ZINC001590409902 989949690 /nfs/dbraw/zinc/94/96/90/989949690.db2.gz PDYLPWVLWNOXKU-UHFFFAOYSA-N -1 0 324.377 3.770 20 0 DHADRM CC(C)(C)SCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590429336 989980396 /nfs/dbraw/zinc/98/03/96/989980396.db2.gz AYLYRNPVMUNJKE-UHFFFAOYSA-N -1 0 319.785 3.648 20 0 DHADRM CC(C)(C)Sc1c(F)cc(NC(=O)CCC(=O)[O-])cc1F ZINC001590429899 989988901 /nfs/dbraw/zinc/98/89/01/989988901.db2.gz NYHZZVOAQAWTON-UHFFFAOYSA-N -1 0 317.357 3.659 20 0 DHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)Cc2ccco2)s1 ZINC001590460866 990024147 /nfs/dbraw/zinc/02/41/47/990024147.db2.gz CSZLXEFHBQBBEW-UHFFFAOYSA-N -1 0 307.371 3.518 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC001590493964 990098398 /nfs/dbraw/zinc/09/83/98/990098398.db2.gz SERYFBOORYQLOZ-UHFFFAOYSA-N -1 0 305.305 3.667 20 0 DHADRM CC(C)(C)c1coc(Sc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC001590527096 990140472 /nfs/dbraw/zinc/14/04/72/990140472.db2.gz RWFVNSIHXBPDEL-UHFFFAOYSA-N -1 0 318.807 3.931 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598003599 990143773 /nfs/dbraw/zinc/14/37/73/990143773.db2.gz ITRGFNFNQXDKDG-LXTVHRRPSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)(C)c1csc(CNc2cc(C(=O)[O-])ccc2F)n1 ZINC001590533512 990147244 /nfs/dbraw/zinc/14/72/44/990147244.db2.gz WVAHSWRARFQHQP-UHFFFAOYSA-N -1 0 308.378 3.890 20 0 DHADRM CC(C)(C)c1nsc(Oc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001590588681 990238191 /nfs/dbraw/zinc/23/81/91/990238191.db2.gz IFAOFPUWPFJXSM-UHFFFAOYSA-N -1 0 312.778 3.980 20 0 DHADRM CN(C(=O)NCCCCCCCC(=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC001598047412 990286276 /nfs/dbraw/zinc/28/62/76/990286276.db2.gz OUTBKNDKDRFMRU-CQSZACIVSA-N -1 0 312.454 3.632 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(C(=O)[O-])s1)CC(F)(F)F ZINC001590621560 990301946 /nfs/dbraw/zinc/30/19/46/990301946.db2.gz DMIWYPJQKFQQHD-UHFFFAOYSA-N -1 0 309.309 3.754 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001590654029 990345078 /nfs/dbraw/zinc/34/50/78/990345078.db2.gz ITCKDORPHOAVCF-UHFFFAOYSA-N -1 0 318.417 3.649 20 0 DHADRM CC(C)(CCNCC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001590684753 990397350 /nfs/dbraw/zinc/39/73/50/990397350.db2.gz PAGWYKWVTNXDEK-UHFFFAOYSA-N -1 0 305.752 3.522 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598083337 990409413 /nfs/dbraw/zinc/40/94/13/990409413.db2.gz VGLYTSFQQUCOPC-GHMZBOCLSA-N -1 0 309.431 3.733 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598083341 990409832 /nfs/dbraw/zinc/40/98/32/990409832.db2.gz VGLYTSFQQUCOPC-QWRGUYRKSA-N -1 0 309.431 3.733 20 0 DHADRM CC(C)(CNc1ncc(C(=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC001590779834 990588730 /nfs/dbraw/zinc/58/87/30/990588730.db2.gz AMEMZOGNUIEWCS-UHFFFAOYSA-N -1 0 319.792 3.509 20 0 DHADRM CC(C)(COC(=O)CCc1ccc(C(=O)[O-])cc1)CC(F)F ZINC001590783380 990600389 /nfs/dbraw/zinc/60/03/89/990600389.db2.gz MYFFWGATQPWUQC-UHFFFAOYSA-N -1 0 314.328 3.542 20 0 DHADRM CC(C)(NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(F)F ZINC001590855044 990737611 /nfs/dbraw/zinc/73/76/11/990737611.db2.gz RJLKCPKJNOUMKY-UHFFFAOYSA-N -1 0 322.311 3.703 20 0 DHADRM CC(C)(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001590858828 990749621 /nfs/dbraw/zinc/74/96/21/990749621.db2.gz PCWRERNFCGSVGU-UONOGXRCSA-N -1 0 323.820 3.582 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Oc2ccc(CC(=O)[O-])cc2F)C1(C)C ZINC001590915040 990901170 /nfs/dbraw/zinc/90/11/70/990901170.db2.gz ODETWHLAFDPLRQ-LRDDRELGSA-N -1 0 320.360 3.597 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2scc(C)c2C(=O)[O-])C1(C)C ZINC001590915286 990902481 /nfs/dbraw/zinc/90/24/81/990902481.db2.gz RKNWBTLLVGBIHD-PWSUYJOCSA-N -1 0 307.415 3.932 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1(C)C ZINC001590915445 990903522 /nfs/dbraw/zinc/90/35/22/990903522.db2.gz UHWRAKAOVYZQKX-HZMBPMFUSA-N -1 0 323.339 3.840 20 0 DHADRM CC(C)=CCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590921818 990914117 /nfs/dbraw/zinc/91/41/17/990914117.db2.gz WOBFWEJZGIILME-UHFFFAOYSA-N -1 0 314.744 3.655 20 0 DHADRM CC(C)=CCS[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001590927116 990930665 /nfs/dbraw/zinc/93/06/65/990930665.db2.gz SBBIXBXNXOLWAU-SNVBAGLBSA-N -1 0 313.444 3.781 20 0 DHADRM CC(C)C(C)(C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001590961671 991060628 /nfs/dbraw/zinc/06/06/28/991060628.db2.gz VOOXHDOASVCAOF-OAHLLOKOSA-N -1 0 317.429 3.603 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001590969851 991098235 /nfs/dbraw/zinc/09/82/35/991098235.db2.gz JMPIYGOUHUMAGO-ZETCQYMHSA-N -1 0 304.173 3.922 20 0 DHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)/C=C/C1CCCCC1 ZINC001598294167 991217243 /nfs/dbraw/zinc/21/72/43/991217243.db2.gz ZTYRPVUSSVXGRI-DHZHZOJOSA-N -1 0 316.401 3.526 20 0 DHADRM CC(C)[C@@H](NC(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-] ZINC001591002589 991265315 /nfs/dbraw/zinc/26/53/15/991265315.db2.gz SSHSXWXCMFWRTI-QANKJYHBSA-N -1 0 317.429 3.529 20 0 DHADRM CC(C)C(NC(=O)Nc1cccc(CCC(=O)[O-])c1)C(C)C ZINC001591014104 991288641 /nfs/dbraw/zinc/28/86/41/991288641.db2.gz CZTNLUYCAJHKDN-UHFFFAOYSA-N -1 0 306.406 3.506 20 0 DHADRM CC(C)[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001591019172 991302640 /nfs/dbraw/zinc/30/26/40/991302640.db2.gz GRQHYMFQGRJKGW-INIZCTEOSA-N -1 0 315.344 3.651 20 0 DHADRM CC(C)[C@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001591035665 991354200 /nfs/dbraw/zinc/35/42/00/991354200.db2.gz DUBWFAOKJKLSDT-NSHDSACASA-N -1 0 302.296 3.645 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001591057715 991467374 /nfs/dbraw/zinc/46/73/74/991467374.db2.gz HHPBOZQOQIYUKZ-DNVCBOLYSA-N -1 0 315.413 3.736 20 0 DHADRM CC(C)[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccnc1 ZINC001591057787 991470231 /nfs/dbraw/zinc/47/02/31/991470231.db2.gz KHAHTAHGEHFKPB-HNNXBMFYSA-N -1 0 323.352 3.618 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591061371 991500543 /nfs/dbraw/zinc/50/05/43/991500543.db2.gz HZVHXFHKCSUQCF-WMLDXEAASA-N -1 0 321.442 3.625 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001591061781 991504503 /nfs/dbraw/zinc/50/45/03/991504503.db2.gz NLXMTLMDEWUQGN-MAUKXSAKSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001591079130 991570379 /nfs/dbraw/zinc/57/03/79/991570379.db2.gz CJWAFBMZEPPJDQ-LSDHHAIUSA-N -1 0 301.386 3.562 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591080128 991580309 /nfs/dbraw/zinc/58/03/09/991580309.db2.gz OTBYDTYINGPLCU-GHMZBOCLSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001591088702 991624928 /nfs/dbraw/zinc/62/49/28/991624928.db2.gz KKOBLYQDKHQDRN-BBRMVZONSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001591088704 991625007 /nfs/dbraw/zinc/62/50/07/991625007.db2.gz KKOBLYQDKHQDRN-CZUORRHYSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)[C@@H]1CCCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591088992 991628171 /nfs/dbraw/zinc/62/81/71/991628171.db2.gz OGDRZOIMOGBKTA-LBPRGKRZSA-N -1 0 316.323 3.814 20 0 DHADRM CC(C)[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001591092676 991647233 /nfs/dbraw/zinc/64/72/33/991647233.db2.gz BTGQFJSNQZJGEM-QGZVFWFLSA-N -1 0 323.392 3.714 20 0 DHADRM CC(C)[C@H]1N(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(C)C ZINC001591099835 991716555 /nfs/dbraw/zinc/71/65/55/991716555.db2.gz QOTBPLRDNYUCNW-CYBMUJFWSA-N -1 0 324.808 3.937 20 0 DHADRM COc1ncc(CNc2cccc3cc(C(=O)[O-])sc32)s1 ZINC001599733706 991742962 /nfs/dbraw/zinc/74/29/62/991742962.db2.gz 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321.279 3.583 20 0 DHADRM COc1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1SC ZINC001599597207 993764243 /nfs/dbraw/zinc/76/42/43/993764243.db2.gz LRMZFBGZYYRKQR-SOFGYWHQSA-N -1 0 319.382 3.720 20 0 DHADRM COc1ccc(NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)nc1 ZINC001599597327 993765889 /nfs/dbraw/zinc/76/58/89/993765889.db2.gz QQPNYBBSIZAYHS-UHFFFAOYSA-N -1 0 324.336 3.661 20 0 DHADRM C[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001593108892 993768673 /nfs/dbraw/zinc/76/86/73/993768673.db2.gz ITHDOXFEWFYBFY-LLVKDONJSA-N -1 0 323.352 3.749 20 0 DHADRM COc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1SC ZINC001599599193 993790282 /nfs/dbraw/zinc/79/02/82/993790282.db2.gz KUBFAGCZLXLKQJ-MRVPVSSYSA-N -1 0 324.427 3.745 20 0 DHADRM O=C(C[C@@H]1CCCC[C@H]1O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000281080267 1015827906 /nfs/dbraw/zinc/82/79/06/1015827906.db2.gz FWJBDQZFIOVSNW-QPUJVOFHSA-N -1 0 318.200 3.579 20 0 DHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1c(F)cccc1Cl ZINC001593178971 994060483 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CC(C)[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1F ZINC001593208407 994225521 /nfs/dbraw/zinc/22/55/21/994225521.db2.gz BTXJIFZURMHKBU-HZMBPMFUSA-N -1 0 306.337 3.560 20 0 DHADRM COc1ccc2cc(NCc3cc(C)c(C(=O)[O-])[nH]3)ccc2c1 ZINC001599634520 994267204 /nfs/dbraw/zinc/26/72/04/994267204.db2.gz PGTFAWZOCPWSKC-UHFFFAOYSA-N -1 0 310.353 3.795 20 0 DHADRM COc1ccc2ccccc2c1CNc1ccc(C(=O)[O-])cn1 ZINC001599636062 994289387 /nfs/dbraw/zinc/28/93/87/994289387.db2.gz USZSEMOOEDDGKG-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM COc1cccc(-c2nc(CCCC(=O)[O-])c(C)s2)c1OC ZINC001599640850 994357050 /nfs/dbraw/zinc/35/70/50/994357050.db2.gz WETGWIDOSSHNGZ-UHFFFAOYSA-N -1 0 321.398 3.543 20 0 DHADRM C[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)C(F)(F)F ZINC001593291579 994668768 /nfs/dbraw/zinc/66/87/68/994668768.db2.gz AEAYEKAKSQPRHB-SECBINFHSA-N -1 0 313.275 3.685 20 0 DHADRM COc1cccc(CSCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001599677253 994917901 /nfs/dbraw/zinc/91/79/01/994917901.db2.gz VZVJXGKUZVWTMG-UHFFFAOYSA-N -1 0 318.394 3.835 20 0 DHADRM C[C@@H](Nc1ccc(OC(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362251 995030741 /nfs/dbraw/zinc/03/07/41/995030741.db2.gz FKIZXXFTIJEDSZ-SECBINFHSA-N -1 0 308.284 3.554 20 0 DHADRM C[C@H](Nc1ccc(OC(F)(F)F)c(Cl)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593364111 995039575 /nfs/dbraw/zinc/03/95/75/995039575.db2.gz XBMTZANKGONIDG-XVYDVKMFSA-N -1 0 323.698 3.760 20 0 DHADRM C[C@H](Nc1ccc2nc(C(F)F)sc2c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593365618 995041821 /nfs/dbraw/zinc/04/18/21/995041821.db2.gz CUBDOLIRPCWCFU-XVYDVKMFSA-N -1 0 312.341 3.755 20 0 DHADRM C[C@H](Nc1ccc2c(c1)OCCCO2)c1cc(C(=O)[O-])cs1 ZINC001593365696 995042722 /nfs/dbraw/zinc/04/27/22/995042722.db2.gz GSXBQKQYBGBVRA-JTQLQIEISA-N -1 0 319.382 3.781 20 0 DHADRM C[C@](O)(C(=O)[O-])c1cccc(-c2csc(C(F)(F)F)c2)c1 ZINC001593375720 995081482 /nfs/dbraw/zinc/08/14/82/995081482.db2.gz KGADZFGQEOJZDX-CYBMUJFWSA-N -1 0 316.300 3.726 20 0 DHADRM COC(=O)[C@@H](Sc1ccccc1C)c1cccc(C(=O)[O-])c1 ZINC001598711598 995355106 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C[C@@H]1CCCN(Cc2csc(Cl)c2Cl)[C@@H]1C(=O)[O-] ZINC000424417433 1012020484 /nfs/dbraw/zinc/02/04/84/1012020484.db2.gz LUVPQAJWSQVXEN-XCBNKYQSSA-N -1 0 308.230 3.740 20 0 DHADRM C[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)[C@H]1C(=O)[O-] ZINC000424425102 1012024376 /nfs/dbraw/zinc/02/43/76/1012024376.db2.gz YGXZKWGZZOQFOR-ZWNOBZJWSA-N -1 0 322.455 3.557 20 0 DHADRM CCC(C)(C)N(C)C(=O)NCCC1(CC(=O)[O-])CCCCC1 ZINC000654787580 1012039024 /nfs/dbraw/zinc/03/90/24/1012039024.db2.gz KLTMYMNTVAAIGZ-UHFFFAOYSA-N -1 0 312.454 3.632 20 0 DHADRM COc1ccc(C(F)(F)F)c(-c2cc(F)c([O-])cc2F)n1 ZINC001206762326 1012104764 /nfs/dbraw/zinc/10/47/64/1012104764.db2.gz WRMYAXUHIXLUHI-UHFFFAOYSA-N -1 0 305.202 3.760 20 0 DHADRM Cc1ccc2[nH]ncc2c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001625782219 1012107806 /nfs/dbraw/zinc/10/78/06/1012107806.db2.gz AZKTZLQCGRGAJP-UHFFFAOYSA-N -1 0 319.723 3.622 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000683183366 1012282717 /nfs/dbraw/zinc/28/27/17/1012282717.db2.gz 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312.716 3.639 20 0 DHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000171013515 1017811050 /nfs/dbraw/zinc/81/10/50/1017811050.db2.gz RYVBRBIIBJOVIT-LBPRGKRZSA-N -1 0 323.389 3.642 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1F ZINC000182020193 1017848872 /nfs/dbraw/zinc/84/88/72/1017848872.db2.gz IZNKYLLDIMHKMD-UHFFFAOYSA-N -1 0 322.386 3.545 20 0 DHADRM Cc1ccncc1/C=C\c1nc(-c2ccc(O)cc2Cl)no1 ZINC000445447142 1017864257 /nfs/dbraw/zinc/86/42/57/1017864257.db2.gz GTZDNLXZXAYRND-DJWKRKHSSA-N -1 0 313.744 3.969 20 0 DHADRM CSc1cccnc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000445614142 1017927446 /nfs/dbraw/zinc/92/74/46/1017927446.db2.gz VCFKIQIWPQKBDE-UHFFFAOYSA-N -1 0 319.773 3.880 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(-c2cc3ccccc3o2)cs1 ZINC000182700321 1017946641 /nfs/dbraw/zinc/94/66/41/1017946641.db2.gz UGSUOSUEROZKDG-UHFFFAOYSA-N -1 0 322.411 3.708 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)o1 ZINC000183123715 1017993839 /nfs/dbraw/zinc/99/38/39/1017993839.db2.gz 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O=C(N[C@@H]1CCC(F)(F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000675708641 1018562090 /nfs/dbraw/zinc/56/20/90/1018562090.db2.gz DHEBGILIRRSQFZ-SSDOTTSWSA-N -1 0 310.127 3.617 20 0 DHADRM Cc1ccc(Nc2cc(Br)cnc2C)cc1C(=O)[O-] ZINC001211593800 1018628712 /nfs/dbraw/zinc/62/87/12/1018628712.db2.gz AARBZTFIHOOAQH-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM O=Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1OC(F)F ZINC000874970233 1032773383 /nfs/dbraw/zinc/77/33/83/1032773383.db2.gz NPCBNFYUTRWNGD-UHFFFAOYSA-N -1 0 310.227 3.605 20 0 DHADRM CCCc1sc(C(=O)N(CCC(=O)[O-])CC2CC2)cc1CC ZINC000675971481 1018639536 /nfs/dbraw/zinc/63/95/36/1018639536.db2.gz YAAWJNGKKZJVTC-UHFFFAOYSA-N -1 0 323.458 3.590 20 0 DHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)c(C)n1C(C)C ZINC000675993402 1018641561 /nfs/dbraw/zinc/64/15/61/1018641561.db2.gz JLANMWKWRYUVJN-UHFFFAOYSA-N -1 0 320.433 3.545 20 0 DHADRM Cc1cc(Br)nc(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211596324 1018659976 /nfs/dbraw/zinc/65/99/76/1018659976.db2.gz BVWSXLOJJPJREZ-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cc1ccc(Nc2cnc3cc(C4CCC4)nn3c2)cc1C(=O)[O-] ZINC001211599179 1018696674 /nfs/dbraw/zinc/69/66/74/1018696674.db2.gz DFSGVHCKHWSORW-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM Cc1ccc(Nc2ccnn2-c2ccccc2C)cc1C(=O)[O-] ZINC001211599511 1018697767 /nfs/dbraw/zinc/69/77/67/1018697767.db2.gz ODJJLHMRCSXKPO-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM O=C([O-])c1ccc(C[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000706238812 1018706232 /nfs/dbraw/zinc/70/62/32/1018706232.db2.gz FVDLQADSMLVJGR-LBPRGKRZSA-N -1 0 305.424 3.773 20 0 DHADRM Cc1nccn1Cc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211604206 1018785384 /nfs/dbraw/zinc/78/53/84/1018785384.db2.gz UYFLQNAZTLFTRI-UHFFFAOYSA-N -1 0 321.380 3.990 20 0 DHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000385780080 1018786802 /nfs/dbraw/zinc/78/68/02/1018786802.db2.gz MFKOBQWKWKOYOT-CYBMUJFWSA-N -1 0 313.372 3.972 20 0 DHADRM Cc1ccc(Nc2ccc(-c3ccncn3)cc2)cc1C(=O)[O-] ZINC001211606306 1018833468 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CCCCS[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000600871021 1027878017 /nfs/dbraw/zinc/87/80/17/1027878017.db2.gz ARLDJYBCUVRLTD-BYCMXARLSA-N -1 0 321.442 3.735 20 0 DHADRM CSC1CCN(c2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000600942998 1027914932 /nfs/dbraw/zinc/91/49/32/1027914932.db2.gz NWPLFQURJCOVSZ-UHFFFAOYSA-N -1 0 316.426 3.573 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000563212450 1027934748 /nfs/dbraw/zinc/93/47/48/1027934748.db2.gz ZLNZTFAUIYHIHQ-OAHLLOKOSA-N -1 0 323.458 3.932 20 0 DHADRM Cc1oc([C@H](C)N2Cc3ccccc3O[C@H](C)C2)cc1C(=O)[O-] ZINC000578084124 1028044691 /nfs/dbraw/zinc/04/46/91/1028044691.db2.gz QEGGKTDUFFQGJN-NEPJUHHUSA-N -1 0 315.369 3.630 20 0 DHADRM CCc1ccc([C@H]2CCCN(C(=O)c3ncc(C)cc3O)C2)cc1 ZINC000563468811 1028062345 /nfs/dbraw/zinc/06/23/45/1028062345.db2.gz LZFNPEKNRKYRPN-KRWDZBQOSA-N -1 0 324.424 3.678 20 0 DHADRM Cc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000563499552 1028084330 /nfs/dbraw/zinc/08/43/30/1028084330.db2.gz 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ZINC000935171161 1028210448 /nfs/dbraw/zinc/21/04/48/1028210448.db2.gz RZZCGMZDDBAFFG-GFCCVEGCSA-N -1 0 317.216 3.510 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC=C(c2ccco2)C1 ZINC000367646460 1028223043 /nfs/dbraw/zinc/22/30/43/1028223043.db2.gz VBVCPPMEXJEUSU-UHFFFAOYSA-N -1 0 321.735 3.707 20 0 DHADRM CSc1cc(C)c(-c2cc(C)ccc2OCCC(=O)[O-])cn1 ZINC000578787441 1028242887 /nfs/dbraw/zinc/24/28/87/1028242887.db2.gz OQHDJHYMPVNOEF-UHFFFAOYSA-N -1 0 317.410 3.941 20 0 DHADRM CCOc1cc(CC(=O)[O-])c(-c2cccs2)cc1OCC ZINC000578907265 1028270120 /nfs/dbraw/zinc/27/01/20/1028270120.db2.gz YKNZWKHWUYWFCV-UHFFFAOYSA-N -1 0 306.383 3.840 20 0 DHADRM CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000367996571 1028273789 /nfs/dbraw/zinc/27/37/89/1028273789.db2.gz HYASHGMNYMUJAC-IRXDYDNUSA-N -1 0 317.429 3.735 20 0 DHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC(C)(C)C(=O)[O-] ZINC000368011341 1028275477 /nfs/dbraw/zinc/27/54/77/1028275477.db2.gz XOMWRAXNFWWHTG-HZPDHXFCSA-N -1 0 317.429 3.672 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000578947886 1028283323 /nfs/dbraw/zinc/28/33/23/1028283323.db2.gz RIEUUOGXUSQAEC-MRXNPFEDSA-N -1 0 312.369 3.756 20 0 DHADRM CC(C)(C)c1nc2ccc(NC(=O)C(C)(C)C(=O)[O-])cc2s1 ZINC000579010433 1028300766 /nfs/dbraw/zinc/30/07/66/1028300766.db2.gz PEVBYEAIRWJXQS-UHFFFAOYSA-N -1 0 320.414 3.643 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N(C)[C@@H](C)CC(=O)[O-])cc1 ZINC000579496722 1028421501 /nfs/dbraw/zinc/42/15/01/1028421501.db2.gz PLPUDUKFMJTJAS-GJBLVYBDSA-N -1 0 303.402 3.535 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N(C)[C@H](C)CC(=O)[O-])cc1 ZINC000579496721 1028422077 /nfs/dbraw/zinc/42/20/77/1028422077.db2.gz PLPUDUKFMJTJAS-GEXIGZQTSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](NC(=O)C(C)(C)C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000579592245 1028444657 /nfs/dbraw/zinc/44/46/57/1028444657.db2.gz KXCGKZQASRDORE-JTQLQIEISA-N -1 0 319.788 3.781 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(Cl)ncc1Cl ZINC000188927774 1028540445 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Cc1cccc(-c2ccc([S@@](=O)CCCC(=O)[O-])cc2)c1C ZINC000566493772 1028733979 /nfs/dbraw/zinc/73/39/79/1028733979.db2.gz CYILEBYFEIADRG-QFIPXVFZSA-N -1 0 316.422 3.943 20 0 DHADRM Cc1sc([N-]S(=O)(=O)CCc2ccccc2)nc1C(C)C ZINC000567061697 1028828318 /nfs/dbraw/zinc/82/83/18/1028828318.db2.gz BVJVXTDBFFSPPP-UHFFFAOYSA-N -1 0 324.471 3.559 20 0 DHADRM CCCc1nc(=NC(=O)c2cc3cccc(C)c3s2)s[n-]1 ZINC000567078458 1028831662 /nfs/dbraw/zinc/83/16/62/1028831662.db2.gz BHIJMZAKYNQHQL-UHFFFAOYSA-N -1 0 317.439 3.688 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372636675 1028876644 /nfs/dbraw/zinc/87/66/44/1028876644.db2.gz GCZBKQOYINFIDM-AWEZNQCLSA-N -1 0 317.429 3.917 20 0 DHADRM COc1cccc(-c2cc(C)ccc2OCCC(=O)[O-])c1OC ZINC000567367900 1028878846 /nfs/dbraw/zinc/87/88/46/1028878846.db2.gz DNLJDJKYBKIBIX-UHFFFAOYSA-N -1 0 316.353 3.533 20 0 DHADRM Cc1oc([C@H](C)N2CCc3cccc(F)c3C2)cc1C(=O)[O-] ZINC000567742374 1028948847 /nfs/dbraw/zinc/94/88/47/1028948847.db2.gz BPLCXRLATDGHIP-JTQLQIEISA-N 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Cc1ccc(-c2cnccn2)cc1NC(=O)c1ccc(F)cc1[O-] ZINC000373621281 1029098589 /nfs/dbraw/zinc/09/85/89/1029098589.db2.gz GBAQEIDKEBBWAA-UHFFFAOYSA-N -1 0 323.327 3.549 20 0 DHADRM Cc1ccc(C[C@H](Sc2nccc(C(F)F)n2)C(=O)[O-])cc1 ZINC000568782085 1029125331 /nfs/dbraw/zinc/12/53/31/1029125331.db2.gz ICHIFEQRZAKZNP-LBPRGKRZSA-N -1 0 324.352 3.511 20 0 DHADRM CCC(CC)(C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000779336160 1029139008 /nfs/dbraw/zinc/13/90/08/1029139008.db2.gz XGKFFLZGOZMRMZ-UHFFFAOYSA-N -1 0 303.324 3.745 20 0 DHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]OCC1CC1 ZINC000817363229 1029142355 /nfs/dbraw/zinc/14/23/55/1029142355.db2.gz YFGJPJDZLJBWBC-AWEZNQCLSA-N -1 0 311.381 3.579 20 0 DHADRM O=C([N-]OCCC1CC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000817441530 1029169883 /nfs/dbraw/zinc/16/98/83/1029169883.db2.gz JAXAKDRPBXCDRV-GOSISDBHSA-N -1 0 311.381 3.655 20 0 DHADRM O=C([O-])C[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000569187402 1029191224 /nfs/dbraw/zinc/19/12/24/1029191224.db2.gz 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DHADRM Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C2CC2)n1 ZINC000864136376 1034297611 /nfs/dbraw/zinc/29/76/11/1034297611.db2.gz YAPZBMHPUUANEW-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM Cc1cc(C(=O)N(C)c2ccc(C(C)C)cc2)oc1C(=O)[O-] ZINC000864134330 1034297756 /nfs/dbraw/zinc/29/77/56/1034297756.db2.gz VORYWVITNZQPIA-UHFFFAOYSA-N -1 0 301.342 3.686 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 ZINC000864147095 1034297863 /nfs/dbraw/zinc/29/78/63/1034297863.db2.gz GITFJBMMCXEGBB-GLQYFDAESA-N -1 0 323.820 3.545 20 0 DHADRM Cc1ccc(N(CC2CC2)C(=O)CC(C)(C)CC(=O)[O-])cc1F ZINC000864178666 1034298465 /nfs/dbraw/zinc/29/84/65/1034298465.db2.gz INPQPSGVPZTWSP-UHFFFAOYSA-N -1 0 321.392 3.768 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(C)(C)C ZINC000864170513 1034299082 /nfs/dbraw/zinc/29/90/82/1034299082.db2.gz JOMLPBULPQAZOH-UQSGXBNBSA-N -1 0 323.364 3.609 20 0 DHADRM Cc1ccc(CN(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000864178505 1034299255 /nfs/dbraw/zinc/29/92/55/1034299255.db2.gz BXDNGHGSDWPKRR-UHFFFAOYSA-N -1 0 311.381 3.582 20 0 DHADRM C[C@@H](CN(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CCCCC1 ZINC000864175692 1034299988 /nfs/dbraw/zinc/29/99/88/1034299988.db2.gz RIYAJCMLZFTJRT-FUWURINLSA-N -1 0 319.401 3.666 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(C(=O)[O-])s1)C(F)(F)F ZINC000864202920 1034300867 /nfs/dbraw/zinc/30/08/67/1034300867.db2.gz YBRGNCVQPCOOJD-UHFFFAOYSA-N -1 0 323.336 3.545 20 0 DHADRM CC[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(C)cc1 ZINC000864199590 1034301050 /nfs/dbraw/zinc/30/10/50/1034301050.db2.gz JELDORZSQSUPIS-KUHUBIRLSA-N -1 0 317.429 3.638 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(C3CC3)cc2F)C1 ZINC000864220404 1034303323 /nfs/dbraw/zinc/30/33/23/1034303323.db2.gz BOGLWYLSDNTRTK-OLZOCXBDSA-N -1 0 305.349 3.533 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2cccs2)c1 ZINC000794622260 1034314617 /nfs/dbraw/zinc/31/46/17/1034314617.db2.gz GHRRJMNKQXXHOE-SOFGYWHQSA-N -1 0 301.367 3.698 20 0 DHADRM CCC[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000777375469 1034348862 /nfs/dbraw/zinc/34/88/62/1034348862.db2.gz CNTKTCHYKKDAEE-ZDUSSCGKSA-N -1 0 321.373 3.537 20 0 DHADRM CC(C)=CC[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000864526966 1034376095 /nfs/dbraw/zinc/37/60/95/1034376095.db2.gz AALPOZBYOFIMPD-AWEZNQCLSA-N -1 0 316.426 3.709 20 0 DHADRM Nc1ccc(N(c2cccc(/C=C/C(=O)[O-])c2)C2CCCC2)nc1 ZINC001174495617 1034412598 /nfs/dbraw/zinc/41/25/98/1034412598.db2.gz RKOJOTPNDHULRC-DHZHZOJOSA-N -1 0 323.396 3.842 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(Cn3ccnc3)cc2)c1 ZINC001174496521 1034412783 /nfs/dbraw/zinc/41/27/83/1034412783.db2.gz OPJOJYBDYARIKM-RMKNXTFCSA-N -1 0 319.364 3.773 20 0 DHADRM CN1Cc2c(Nc3cccc(/C=C/C(=O)[O-])c3)cccc2NC1=O ZINC001174498277 1034414955 /nfs/dbraw/zinc/41/49/55/1034414955.db2.gz BASBEQCHIJLIRU-CMDGGOBGSA-N -1 0 323.352 3.505 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cccc(C3OCCO3)c2)c1 ZINC001174496642 1034415099 /nfs/dbraw/zinc/41/50/99/1034415099.db2.gz QZLMUGRUIDRPCK-BQYQJAHWSA-N -1 0 311.337 3.573 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cncc(OC(F)(F)F)c2)c1 ZINC001174496572 1034416400 /nfs/dbraw/zinc/41/64/00/1034416400.db2.gz NHIUDZCULXAZBS-SNAWJCMRSA-N -1 0 324.258 3.822 20 0 DHADRM CCOc1ncccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001174455761 1034419855 /nfs/dbraw/zinc/41/98/55/1034419855.db2.gz XFYMRMZQIPVHET-UHFFFAOYSA-N -1 0 318.135 3.770 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000777399509 1034419731 /nfs/dbraw/zinc/41/97/31/1034419731.db2.gz BUJSZVQFLNVFRH-HUUCEWRRSA-N -1 0 311.466 3.942 20 0 DHADRM Fc1cccc([C@@H]2CC[C@@H](N=c3nc(C4CC4)[n-]s3)C2)c1 ZINC000480784778 1034445210 /nfs/dbraw/zinc/44/52/10/1034445210.db2.gz IATNOIPCEOPLMV-TZMCWYRMSA-N -1 0 303.406 3.725 20 0 DHADRM CNc1ncc2cc(Nc3ccc([S-])c(OC)c3)ccc2n1 ZINC001174533604 1034448848 /nfs/dbraw/zinc/44/88/48/1034448848.db2.gz GHOFVRFDLQFMSR-UHFFFAOYSA-N -1 0 312.398 3.712 20 0 DHADRM Cc1cc(=O)c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2o1 ZINC001174500973 1034458307 /nfs/dbraw/zinc/45/83/07/1034458307.db2.gz VRFOBHQRQYPHJV-VMPITWQZSA-N -1 0 321.332 3.943 20 0 DHADRM Cc1nn(C)c2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc12 ZINC001174501105 1034460054 /nfs/dbraw/zinc/46/00/54/1034460054.db2.gz ZAZZAOHPUQOFBL-RMKNXTFCSA-N -1 0 307.353 3.723 20 0 DHADRM O=C(NO[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1F ZINC000880892766 1034471051 /nfs/dbraw/zinc/47/10/51/1034471051.db2.gz RIMQQGNZVWMJEV-JTQLQIEISA-N -1 0 323.151 3.712 20 0 DHADRM COc1cc(Nc2cnn([C@@H]3CCCCO3)c2)ccc1[S-] ZINC001174608513 1034534707 /nfs/dbraw/zinc/53/47/07/1034534707.db2.gz RKJMUFZLHYMZAF-HNNXBMFYSA-N -1 0 305.403 3.623 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(OC(C)C)cc1 ZINC001174676753 1034542719 /nfs/dbraw/zinc/54/27/19/1034542719.db2.gz GWWZCZIZIBKLLO-UHFFFAOYSA-N -1 0 301.342 3.924 20 0 DHADRM COc1cc(Nc2cnccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174681141 1034547110 /nfs/dbraw/zinc/54/71/10/1034547110.db2.gz MOVVXSSGRQZJMP-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM COc1cc(Nc2cc(Cl)c(F)cc2N)ccc1C(=O)[O-] ZINC001174684639 1034547343 /nfs/dbraw/zinc/54/73/43/1034547343.db2.gz CFZUGMINYLXWPV-UHFFFAOYSA-N -1 0 310.712 3.512 20 0 DHADRM COc1cc(Nc2cc(Cl)ncc2Cl)ccc1C(=O)[O-] ZINC001174683479 1034548111 /nfs/dbraw/zinc/54/81/11/1034548111.db2.gz YYQIRSWNEINNCW-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cccc(Nc2ccc(C(=O)[O-])c(OC)c2)c1Cl ZINC001174685157 1034550020 /nfs/dbraw/zinc/55/00/20/1034550020.db2.gz IDXZQUWIMBCURS-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2cccc3ccc(O)cc32)ccc1C(=O)[O-] ZINC001174685585 1034550487 /nfs/dbraw/zinc/55/04/87/1034550487.db2.gz VDGPVYIJCRGXRH-UHFFFAOYSA-N -1 0 309.321 3.996 20 0 DHADRM COc1cc(Nc2ccc3c(c2)CCCC3=O)ccc1C(=O)[O-] ZINC001174685922 1034550609 /nfs/dbraw/zinc/55/06/09/1034550609.db2.gz CYNAGAJMPDPHGM-UHFFFAOYSA-N -1 0 311.337 3.656 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1cccc(Cl)c1 ZINC000899350816 1034597893 /nfs/dbraw/zinc/59/78/93/1034597893.db2.gz QSEOIZXGKXLJSZ-NSHDSACASA-N -1 0 316.710 3.627 20 0 DHADRM CC(C)c1ccc([C@@H](C)n2[n-]c(-c3ccccn3)cc2=O)cc1 ZINC000899361414 1034605889 /nfs/dbraw/zinc/60/58/89/1034605889.db2.gz VONMQRPBFHZVBM-CQSZACIVSA-N -1 0 307.397 3.903 20 0 DHADRM CC(C)(C)OCc1cc(C(=O)Nc2cccc(Cl)c2[O-])no1 ZINC000186262471 1034613722 /nfs/dbraw/zinc/61/37/22/1034613722.db2.gz RCKVFJJQHKEBAT-UHFFFAOYSA-N -1 0 324.764 3.601 20 0 DHADRM Cc1ccnc(Br)c1Nc1ccc(C(=O)[O-])s1 ZINC001174805176 1034630939 /nfs/dbraw/zinc/63/09/39/1034630939.db2.gz NIYYUQHGWYBCFS-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM O=C([O-])c1ccc(Nc2cnnc3ccc(Cl)cc32)s1 ZINC001174807026 1034633171 /nfs/dbraw/zinc/63/31/71/1034633171.db2.gz GKMUWVKWEDJSTF-UHFFFAOYSA-N -1 0 305.746 3.787 20 0 DHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])s2)c1Cl ZINC001174807389 1034633304 /nfs/dbraw/zinc/63/33/04/1034633304.db2.gz KABNKVTUTFPZFX-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])s2)c(C)c1 ZINC001174809618 1034635799 /nfs/dbraw/zinc/63/57/99/1034635799.db2.gz MVGYYOYWXSWXFT-UHFFFAOYSA-N -1 0 305.355 3.593 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)n(-c2ccccc2F)n1 ZINC001174809110 1034636239 /nfs/dbraw/zinc/63/62/39/1034636239.db2.gz YRUGRUIOZJLYOD-UHFFFAOYSA-N -1 0 317.345 3.823 20 0 DHADRM O=C(NCC[C@@H]1CCCC1(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000881581951 1034638770 /nfs/dbraw/zinc/63/87/70/1034638770.db2.gz AFYJBBVFVCTHNO-VIFPVBQESA-N -1 0 321.726 3.740 20 0 DHADRM Cc1cc(C)c(Nc2cc(F)ccc2C)c(S(=O)(=O)[O-])c1 ZINC001174885016 1034640091 /nfs/dbraw/zinc/64/00/91/1034640091.db2.gz RWNGBSPGGLZBAN-UHFFFAOYSA-N -1 0 309.362 3.741 20 0 DHADRM Cc1ccnc(Br)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947274 1034703425 /nfs/dbraw/zinc/70/34/25/1034703425.db2.gz IVIFIXDRCFWXAM-UHFFFAOYSA-N -1 0 321.174 3.523 20 0 DHADRM CC(=O)Nc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC001174954069 1034705039 /nfs/dbraw/zinc/70/50/39/1034705039.db2.gz ZHBMHSXNQYXMFW-UHFFFAOYSA-N -1 0 318.760 3.669 20 0 DHADRM Cc1cn(-c2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2)cn1 ZINC001174951826 1034705084 /nfs/dbraw/zinc/70/50/84/1034705084.db2.gz FMUISVRELDBTQL-UHFFFAOYSA-N -1 0 307.353 3.551 20 0 DHADRM CC1(C)COC(c2cccc(Nc3ccc(CC(=O)[O-])cc3)c2)=N1 ZINC001174956111 1034706628 /nfs/dbraw/zinc/70/66/28/1034706628.db2.gz HCHIFISETIDJSQ-UHFFFAOYSA-N -1 0 324.380 3.613 20 0 DHADRM C[C@]1(CNC(=O)c2ccc([O-])c(Cl)c2)CCOC2(CCC2)C1 ZINC000899493513 1034710481 /nfs/dbraw/zinc/71/04/81/1034710481.db2.gz JOCQHRKRBDMBSE-INIZCTEOSA-N -1 0 323.820 3.515 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1cncc(-c2ccccn2)c1 ZINC001174981370 1034744881 /nfs/dbraw/zinc/74/48/81/1034744881.db2.gz CENOMUZCMAZOTF-UHFFFAOYSA-N -1 0 305.337 3.894 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2nc(C(C)C)nn2c1 ZINC001174981323 1034745355 /nfs/dbraw/zinc/74/53/55/1034745355.db2.gz AJQGTNHWWIRZOJ-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c(c1)C[C@H](C)C(=O)N2C ZINC001174985967 1034745967 /nfs/dbraw/zinc/74/59/67/1034745967.db2.gz IFIXZGRYYDMOON-LBPRGKRZSA-N -1 0 324.380 3.592 20 0 DHADRM Cc1nc(-c2ccc(Nc3cc(C(=O)[O-])ccc3C)cc2)no1 ZINC001174983997 1034746269 /nfs/dbraw/zinc/74/62/69/1034746269.db2.gz IFLDJCXQVKQMRE-UHFFFAOYSA-N -1 0 309.325 3.795 20 0 DHADRM CC(=O)N1CCCc2ccc(Nc3cc(C(=O)[O-])ccc3C)cc21 ZINC001174983615 1034746634 /nfs/dbraw/zinc/74/66/34/1034746634.db2.gz DRGZOJKRGGCITB-UHFFFAOYSA-N -1 0 324.380 3.736 20 0 DHADRM CC(=O)c1c(F)cc(F)cc1Nc1cc(C(=O)[O-])ccc1C ZINC001174983998 1034746845 /nfs/dbraw/zinc/74/68/45/1034746845.db2.gz IFVUHJKUOPPXDO-UHFFFAOYSA-N -1 0 305.280 3.918 20 0 DHADRM C[C@H]1CCc2cc(N)ccc2N1c1ccc(C(=O)[O-])c(F)c1 ZINC001175157279 1034820373 /nfs/dbraw/zinc/82/03/73/1034820373.db2.gz OZIUGGZRKQWRDL-JTQLQIEISA-N -1 0 300.333 3.579 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(F)c3cccnc23)cc1F ZINC001175161003 1034821304 /nfs/dbraw/zinc/82/13/04/1034821304.db2.gz YZTFYMVKHRKYOH-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc3cc(F)cnc32)cc1F ZINC001175160778 1034821632 /nfs/dbraw/zinc/82/16/32/1034821632.db2.gz MWXXKHPEICIPOK-UHFFFAOYSA-N 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C[C@@H](CNC(=O)CCCc1ccc(C(C)(C)C)cc1)CC(=O)[O-] ZINC000539688825 1035827704 /nfs/dbraw/zinc/82/77/04/1035827704.db2.gz RGYOIEBHQFSHPD-CQSZACIVSA-N -1 0 319.445 3.534 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000761667364 1035844911 /nfs/dbraw/zinc/84/49/11/1035844911.db2.gz WCNNGXVKQZVCQJ-TWGQIWQCSA-N -1 0 323.392 3.891 20 0 DHADRM CCCCCCOC(=O)Nc1ncc(Br)cc1[O-] ZINC001194157685 1035852256 /nfs/dbraw/zinc/85/22/56/1035852256.db2.gz MQBLVTCJLFNLCP-UHFFFAOYSA-N -1 0 317.183 3.679 20 0 DHADRM O=C([O-])[C@@H]1[C@@H]2Cc3cc(-c4cncc(C(F)F)c4)ccc3[C@@H]21 ZINC000906244458 1035857258 /nfs/dbraw/zinc/85/72/58/1035857258.db2.gz FTTTXFMIWODPKQ-QLFBSQMISA-N -1 0 301.292 3.657 20 0 DHADRM Cc1c(-c2cccc(CO[C@H]3CCOC3)c2)csc1C(=O)[O-] ZINC000906239350 1035872828 /nfs/dbraw/zinc/87/28/28/1035872828.db2.gz SGLMIGNUUINVIK-AWEZNQCLSA-N -1 0 318.394 3.727 20 0 DHADRM COCCOCc1cccc(-c2cc(C)sc2CC(=O)[O-])c1 ZINC000906241243 1035875028 /nfs/dbraw/zinc/87/50/28/1035875028.db2.gz 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ZINC001195120640 1036143130 /nfs/dbraw/zinc/14/31/30/1036143130.db2.gz MGPMKLUVBXPRON-UHFFFAOYSA-N -1 0 322.455 3.945 20 0 DHADRM Cc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000540773743 1036150013 /nfs/dbraw/zinc/15/00/13/1036150013.db2.gz BGBAEKFOYNMDSB-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CCc1ccc(CCC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000540846826 1036170261 /nfs/dbraw/zinc/17/02/61/1036170261.db2.gz UULWSHQGLJQPBJ-UHFFFAOYSA-N -1 0 311.381 3.729 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1F ZINC001195268588 1036198602 /nfs/dbraw/zinc/19/86/02/1036198602.db2.gz UGQNYKHGMAHDPZ-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM Cc1ccc(O)c(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)n1 ZINC001195325317 1036203414 /nfs/dbraw/zinc/20/34/14/1036203414.db2.gz ADWYIMUHVZABOJ-UHFFFAOYSA-N -1 0 319.364 3.597 20 0 DHADRM O=C(NCCCOC1CCCCC1)c1cccc(Cl)c1[O-] ZINC000775647629 1036211208 /nfs/dbraw/zinc/21/12/08/1036211208.db2.gz ZUAPIYKOXMEXNP-UHFFFAOYSA-N -1 0 311.809 3.515 20 0 DHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1ccc(Cl)cn1 ZINC000629942908 1036257959 /nfs/dbraw/zinc/25/79/59/1036257959.db2.gz WSVXJRLBXAMIEL-UHFFFAOYSA-N -1 0 306.152 3.529 20 0 DHADRM CCOC(=O)NC(=S)Nc1ccc(-c2csc(C)n2)cc1 ZINC001195483348 1036263468 /nfs/dbraw/zinc/26/34/68/1036263468.db2.gz BPGIKNORAJGSRX-UHFFFAOYSA-N -1 0 321.427 3.561 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907936884 1036306803 /nfs/dbraw/zinc/30/68/03/1036306803.db2.gz WAGHTSKOYXWSGR-JSRQGNBESA-N -1 0 321.461 3.599 20 0 DHADRM COc1ccc(NC(=S)Nc2cccc(Cl)c2[O-])cc1 ZINC001195703885 1036319554 /nfs/dbraw/zinc/31/95/54/1036319554.db2.gz XZHWKLJFOWHSAW-UHFFFAOYSA-N -1 0 308.790 3.863 20 0 DHADRM C[C@@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000908353977 1036388306 /nfs/dbraw/zinc/38/83/06/1036388306.db2.gz JOFJPWSCEWOXAS-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM C/C(=C\C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000908379009 1036392752 /nfs/dbraw/zinc/39/27/52/1036392752.db2.gz LGNLXBHXKJUVHD-WKHXAAGLSA-N -1 0 321.804 3.503 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccccc1Cl ZINC000761922998 1036400671 /nfs/dbraw/zinc/40/06/71/1036400671.db2.gz ZFGMKIRJDRJTBR-ZRDIBKRKSA-N -1 0 323.820 3.893 20 0 DHADRM O=C(c1cccc(Cl)c1[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000775677849 1036409954 /nfs/dbraw/zinc/40/99/54/1036409954.db2.gz UCKLZLQFDMYBDB-MPEURRAXSA-N -1 0 305.805 3.696 20 0 DHADRM O=C(Nc1ccnc(-c2ccccc2)c1)c1ccc(F)cc1[O-] ZINC001182677866 1036418518 /nfs/dbraw/zinc/41/85/18/1036418518.db2.gz LMKAMGYSBHGQBO-UHFFFAOYSA-N -1 0 308.312 3.846 20 0 DHADRM COc1c(NC(=O)CCCC2CCCC2)cccc1C(=O)[O-] ZINC000908508339 1036434807 /nfs/dbraw/zinc/43/48/07/1036434807.db2.gz RMQVUIJDRARLMQ-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM CCCN(C(=O)Nc1ccc(C(F)F)cc1)[C@@H](CC)C(=O)[O-] ZINC000908636526 1036457064 /nfs/dbraw/zinc/45/70/64/1036457064.db2.gz IJIITTYNSMKWDP-LBPRGKRZSA-N -1 0 314.332 3.731 20 0 DHADRM CCCN(C(=O)Nc1ccc(C(F)F)cc1)[C@H](CC)C(=O)[O-] ZINC000908636525 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ZINC000580075803 332929960 /nfs/dbraw/zinc/92/99/60/332929960.db2.gz YITQWHVVDFUKFU-LLVKDONJSA-N -1 0 318.442 3.990 20 0 DHADRM CC(C)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(=O)[nH]1 ZINC000557947083 331827750 /nfs/dbraw/zinc/82/77/50/331827750.db2.gz LSGBBNLLIDNSAW-UHFFFAOYSA-N -1 0 324.739 3.661 20 0 DHADRM CC(C)C[C@H]1C[C@H](N=c2nc(-c3ccccc3)[n-]s2)CCO1 ZINC000558023189 331836330 /nfs/dbraw/zinc/83/63/30/331836330.db2.gz HZRBJHPUOBZQBM-CABCVRRESA-N -1 0 317.458 3.633 20 0 DHADRM CCCN(C(=O)Nc1cccc(SCC)c1)[C@@H](CC)C(=O)[O-] ZINC000584151016 331844041 /nfs/dbraw/zinc/84/40/41/331844041.db2.gz WOFMMHZHEXIDAM-AWEZNQCLSA-N -1 0 324.446 3.906 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(F)c(Cl)c1 ZINC000263541443 331883053 /nfs/dbraw/zinc/88/30/53/331883053.db2.gz RAUWHHMHSWUFNL-UHFFFAOYSA-N -1 0 315.772 3.634 20 0 DHADRM Cc1cccc(CS(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000186572381 332934516 /nfs/dbraw/zinc/93/45/16/332934516.db2.gz CKNAVUFSCFJPLL-UHFFFAOYSA-N -1 0 310.444 3.517 20 0 DHADRM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1ccccc1F ZINC000426770957 331967167 /nfs/dbraw/zinc/96/71/67/331967167.db2.gz XSLGHXXICHVRMK-CQSZACIVSA-N -1 0 311.715 3.534 20 0 DHADRM COCCOc1ccc(-c2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000580095737 332938975 /nfs/dbraw/zinc/93/89/75/332938975.db2.gz FRZCQBNQGLXKHP-CYBMUJFWSA-N -1 0 300.354 3.567 20 0 DHADRM O=C([O-])[C@H](c1ccsc1)N(Cc1ccccc1)CC(F)F ZINC000521055740 331977836 /nfs/dbraw/zinc/97/78/36/331977836.db2.gz AOKGTTSKYVUPFR-AWEZNQCLSA-N -1 0 311.353 3.641 20 0 DHADRM CCc1oc(C(=O)Nc2cc(CC)ccc2CC)cc1C(=O)[O-] ZINC000559152508 331982909 /nfs/dbraw/zinc/98/29/09/331982909.db2.gz JQYJAUVYHUKOJE-UHFFFAOYSA-N -1 0 315.369 3.917 20 0 DHADRM COCc1cc(-c2sc(C)c(C)c2C(=O)[O-])ccc1OC ZINC000573386539 331984061 /nfs/dbraw/zinc/98/40/61/331984061.db2.gz FBRHNJYESMFOAX-UHFFFAOYSA-N -1 0 306.383 3.885 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)O1 ZINC000127724824 332007872 /nfs/dbraw/zinc/00/78/72/332007872.db2.gz MEYAAYMBFBLGSI-XNCJUZBTSA-N -1 0 324.591 3.858 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000130125153 332022986 /nfs/dbraw/zinc/02/29/86/332022986.db2.gz FGADPARMBRYRSB-SNVBAGLBSA-N -1 0 324.163 3.814 20 0 DHADRM CCCC[C@H](NC(=O)Nc1cccc(SCC)c1)C(=O)[O-] ZINC000518506761 332070249 /nfs/dbraw/zinc/07/02/49/332070249.db2.gz QTATYDZRBXCVLU-ZDUSSCGKSA-N -1 0 310.419 3.564 20 0 DHADRM CC(C)c1cnc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)s1 ZINC000569460337 332091135 /nfs/dbraw/zinc/09/11/35/332091135.db2.gz GZKDNNVGRYIVEZ-SNVBAGLBSA-N -1 0 323.443 3.763 20 0 DHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000410332421 332112267 /nfs/dbraw/zinc/11/22/67/332112267.db2.gz KNRQDQJEKXLSBN-UHFFFAOYSA-N -1 0 324.471 3.825 20 0 DHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc(C2CCC2)cc1 ZINC000518709630 332132812 /nfs/dbraw/zinc/13/28/12/332132812.db2.gz ORQFJWVKWXLXED-UHFFFAOYSA-N -1 0 304.390 3.529 20 0 DHADRM Cc1cccc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000132820356 332133984 /nfs/dbraw/zinc/13/39/84/332133984.db2.gz 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/nfs/dbraw/zinc/22/23/49/332222349.db2.gz WXIGRDDXJQREII-LMPOIIKSSA-N -1 0 309.450 3.695 20 0 DHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000559980603 332299013 /nfs/dbraw/zinc/29/90/13/332299013.db2.gz PHCXZCRASYEXJV-UHFFFAOYSA-N -1 0 305.761 3.967 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Cl)cc1Cl ZINC000050196589 332341307 /nfs/dbraw/zinc/34/13/07/332341307.db2.gz XXLGEEXPTGSXAW-UHFFFAOYSA-N -1 0 319.188 3.758 20 0 DHADRM COc1cccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)c1 ZINC000119215181 332367021 /nfs/dbraw/zinc/36/70/21/332367021.db2.gz YZIIRSWTMSKSCN-OAHLLOKOSA-N -1 0 315.344 3.517 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C[C@@H]2CCC[C@@H](C)C2)sc1C(=O)[O-] ZINC000237579137 332377129 /nfs/dbraw/zinc/37/71/29/332377129.db2.gz LNSPEFAGBXLBME-ADEWGFFLSA-N -1 0 324.446 3.543 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN(C)Cc1c(F)cccc1Cl ZINC000566359470 332377162 /nfs/dbraw/zinc/37/71/62/332377162.db2.gz WLYLRLCVTBKVJD-UHFFFAOYSA-N -1 0 311.740 3.711 20 0 DHADRM Cc1c(NC(=O)c2cccc(C(=O)[O-])c2)sc2c1CCCC2 ZINC000237640605 332381530 /nfs/dbraw/zinc/38/15/30/332381530.db2.gz YZUMKWTWPHBTIW-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CC[C@H](N=c1[n-]c(C2CCOCC2)no1)c1ccc(Cl)cc1 ZINC000560814692 332387941 /nfs/dbraw/zinc/38/79/41/332387941.db2.gz LDAGGKRWAITZDX-AWEZNQCLSA-N -1 0 321.808 3.602 20 0 DHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000261611752 332390921 /nfs/dbraw/zinc/39/09/21/332390921.db2.gz BFXIQXQFVWEMRF-NNFUDEMPSA-N -1 0 321.461 3.552 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2ccc3ccoc3c2)CCCCC1 ZINC000560870763 332391082 /nfs/dbraw/zinc/39/10/82/332391082.db2.gz PPVIJMULXMTPEU-UHFFFAOYSA-N -1 0 301.342 3.797 20 0 DHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cc2ccccc2s1 ZINC000561068934 332406444 /nfs/dbraw/zinc/40/64/44/332406444.db2.gz HKZFXNRJVLUCJA-LLVKDONJSA-N -1 0 319.426 3.970 20 0 DHADRM Cc1c(C(=O)[O-])csc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000566495517 332456272 /nfs/dbraw/zinc/45/62/72/332456272.db2.gz XWZRYGINVMPSEU-ZDUSSCGKSA-N -1 0 304.367 3.589 20 0 DHADRM COCc1cc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000427667535 332480825 /nfs/dbraw/zinc/48/08/25/332480825.db2.gz CMETXRZRBAVFQB-CHWSQXEVSA-N -1 0 319.401 3.686 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)CCC2CCCCC2)Cc2ccccc21 ZINC000261646060 332517595 /nfs/dbraw/zinc/51/75/95/332517595.db2.gz DVSKNBPOEDKUJK-KRWDZBQOSA-N -1 0 315.413 3.558 20 0 DHADRM Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1C(=O)[O-] ZINC000147625222 332531294 /nfs/dbraw/zinc/53/12/94/332531294.db2.gz MXHIAGGLRCMXHX-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000261849771 332552348 /nfs/dbraw/zinc/55/23/48/332552348.db2.gz JJRCOCKYFPVWHJ-OWCLPIDISA-N -1 0 315.413 3.859 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000168249012 332554309 /nfs/dbraw/zinc/55/43/09/332554309.db2.gz IIOXXJVVOYCMBV-ZDUSSCGKSA-N -1 0 301.367 3.505 20 0 DHADRM CC(C)c1nc(=N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s[n-]1 ZINC000562635082 332611671 /nfs/dbraw/zinc/61/16/71/332611671.db2.gz 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/nfs/dbraw/zinc/96/51/57/332965157.db2.gz YOBZGFHWWZTHRG-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2ccc(F)cc21 ZINC000177127574 332973348 /nfs/dbraw/zinc/97/33/48/332973348.db2.gz XFRPAHNEEGRFQR-UHFFFAOYSA-N -1 0 309.699 3.527 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3s2)c2ccccc21 ZINC000177475753 332988696 /nfs/dbraw/zinc/98/86/96/332988696.db2.gz WMFSTANVDOVGFS-ZDUSSCGKSA-N -1 0 323.373 3.730 20 0 DHADRM Cc1ccc(-c2cc(CN(C)[C@@H](CC(C)C)C(=O)[O-])on2)cc1 ZINC000580206146 333006615 /nfs/dbraw/zinc/00/66/15/333006615.db2.gz RSABVXQPXYMZNH-KRWDZBQOSA-N -1 0 316.401 3.581 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000108654737 333009501 /nfs/dbraw/zinc/00/95/01/333009501.db2.gz MKBZDGASWDYSGB-RKDXNWHRSA-N -1 0 316.184 3.823 20 0 DHADRM Cc1cc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)ccc1O ZINC000178989433 333023110 /nfs/dbraw/zinc/02/31/10/333023110.db2.gz SHAANUYNTFUFHY-GOSISDBHSA-N -1 0 319.401 3.700 20 0 DHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000180186909 333026977 /nfs/dbraw/zinc/02/69/77/333026977.db2.gz WKLWRMUDBBPLHP-UHFFFAOYSA-N -1 0 318.804 3.981 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000180359536 333027834 /nfs/dbraw/zinc/02/78/34/333027834.db2.gz CUWSJYIGOAITBF-UHFFFAOYSA-N -1 0 314.728 3.698 20 0 DHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000182469371 333040819 /nfs/dbraw/zinc/04/08/19/333040819.db2.gz FKDTUTCPKDKYEK-UHFFFAOYSA-N -1 0 313.378 3.655 20 0 DHADRM Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1F ZINC000183400935 333057583 /nfs/dbraw/zinc/05/75/83/333057583.db2.gz KSHQRCQRLKGGIB-UHFFFAOYSA-N -1 0 307.365 3.888 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183456211 333058144 /nfs/dbraw/zinc/05/81/44/333058144.db2.gz YEOHHPGBGMNOAH-INIZCTEOSA-N -1 0 317.335 3.956 20 0 DHADRM COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000580284817 333060159 /nfs/dbraw/zinc/06/01/59/333060159.db2.gz HCPNMDPKNHAGFL-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM CC(C)(C)c1ccccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000460424105 333084726 /nfs/dbraw/zinc/08/47/26/333084726.db2.gz IRHCNUJZIMSLBP-UHFFFAOYSA-N -1 0 307.390 3.924 20 0 DHADRM O=C([O-])c1cccc(NCc2ccccc2OC(F)(F)F)c1 ZINC000314100985 333086982 /nfs/dbraw/zinc/08/69/82/333086982.db2.gz ITIZGFGEPVGNOW-UHFFFAOYSA-N -1 0 311.259 3.896 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(Cl)cc2c1OCC2 ZINC000462775066 333110816 /nfs/dbraw/zinc/11/08/16/333110816.db2.gz FTJHBZKRQWUBLB-UHFFFAOYSA-N -1 0 324.163 3.886 20 0 DHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000517030752 333131655 /nfs/dbraw/zinc/13/16/55/333131655.db2.gz VLFAEZYIMUOVIE-FZMZJTMJSA-N -1 0 323.820 3.646 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000318575626 333189913 /nfs/dbraw/zinc/18/99/13/333189913.db2.gz CQHIDFAWKUTCHC-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM COCCc1ccc(-c2cc(C(=O)[O-])c(OC)cc2C)cc1 ZINC000580330413 333204738 /nfs/dbraw/zinc/20/47/38/333204738.db2.gz JBLGDLFBGSOKQF-UHFFFAOYSA-N -1 0 300.354 3.558 20 0 DHADRM CC(C)(C)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000388291570 333254555 /nfs/dbraw/zinc/25/45/55/333254555.db2.gz SEUSIYSDYWBXEG-CQSZACIVSA-N -1 0 309.381 3.530 20 0 DHADRM CCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC000319502887 333310603 /nfs/dbraw/zinc/31/06/03/333310603.db2.gz WLNTWNDFUZKJAO-UHFFFAOYSA-N -1 0 303.402 3.921 20 0 DHADRM Cc1ccc(O)c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531230798 333336756 /nfs/dbraw/zinc/33/67/56/333336756.db2.gz DPHGTGWUGKFYTH-VXGBXAGGSA-N -1 0 315.335 3.799 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC2(C1)CCCCC2 ZINC000184446859 333359002 /nfs/dbraw/zinc/35/90/02/333359002.db2.gz HNHFFBQLXHEGON-UHFFFAOYSA-N -1 0 311.784 3.981 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)c2c(O)cccc21 ZINC000186279199 333372792 /nfs/dbraw/zinc/37/27/92/333372792.db2.gz QDKSOPZQGWWQNL-SNVBAGLBSA-N -1 0 317.772 3.905 20 0 DHADRM Cc1csc2[n-]c(C(F)(F)c3ccc(F)cc3)nc(=O)c12 ZINC000521419739 333377568 /nfs/dbraw/zinc/37/75/68/333377568.db2.gz XPYYZIXCCKMPQL-UHFFFAOYSA-N -1 0 310.300 3.985 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000021004728 333386543 /nfs/dbraw/zinc/38/65/43/333386543.db2.gz RDIPCKFNLZBCTR-KRWDZBQOSA-N -1 0 311.381 3.836 20 0 DHADRM Cn1nc(C2CCCCC2)cc1NCc1cc(O)cc(F)c1 ZINC000185579741 335141307 /nfs/dbraw/zinc/14/13/07/335141307.db2.gz IVTYJOYCVDUULG-UHFFFAOYSA-N -1 0 303.381 3.925 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000563140425 333396504 /nfs/dbraw/zinc/39/65/04/333396504.db2.gz FGFNISDWASSURU-ZYHUDNBSSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1sc([N-]S(=O)(=O)c2cccc(C)c2)nc1C(C)C ZINC000518797052 333399666 /nfs/dbraw/zinc/39/96/66/333399666.db2.gz IVJRKJQBYSUXMA-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000320142744 333429631 /nfs/dbraw/zinc/42/96/31/333429631.db2.gz BRCTZWWBQYVITK-IFXJQAMLSA-N -1 0 317.429 3.504 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1F ZINC000237489710 333520429 /nfs/dbraw/zinc/52/04/29/333520429.db2.gz BQTOTAVFEJTTFJ-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CCC[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccn1 ZINC000339365789 333521515 /nfs/dbraw/zinc/52/15/15/333521515.db2.gz XKGPMWQPGVWENF-NSHDSACASA-N -1 0 304.777 3.963 20 0 DHADRM CC(C)c1nc2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc2o1 ZINC000534170056 333564810 /nfs/dbraw/zinc/56/48/10/333564810.db2.gz NTJLVHRXKUUOOV-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM O=C([O-])C1(c2cccc(-c3ccc(F)cc3CO)c2)CCCC1 ZINC000563436856 333605602 /nfs/dbraw/zinc/60/56/02/333605602.db2.gz RHZSSMJQJOMMCR-UHFFFAOYSA-N -1 0 314.356 3.881 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000417790799 335154406 /nfs/dbraw/zinc/15/44/06/335154406.db2.gz ISZRQHQQIUDANH-UHFFFAOYSA-N -1 0 324.808 3.722 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000571463651 333791956 /nfs/dbraw/zinc/79/19/56/333791956.db2.gz FPPBWNCKXSIBFR-AWEZNQCLSA-N -1 0 317.410 3.601 20 0 DHADRM CC(C)Cc1nc(=N[C@@H]2CCO[C@@H](c3cccs3)C2)s[n-]1 ZINC000413353687 333844404 /nfs/dbraw/zinc/84/44/04/333844404.db2.gz PNBCGWDPCFBQRW-VXGBXAGGSA-N -1 0 323.487 3.552 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c(C)s1 ZINC000436172293 333865992 /nfs/dbraw/zinc/86/59/92/333865992.db2.gz GDAVKLANACHESE-UHFFFAOYSA-N -1 0 320.439 3.955 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000414089273 333894156 /nfs/dbraw/zinc/89/41/56/333894156.db2.gz JTFDQXYMWMOMMX-UHFFFAOYSA-N -1 0 319.401 3.745 20 0 DHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000414447854 333981309 /nfs/dbraw/zinc/98/13/09/333981309.db2.gz LUVHELLPNFMTNM-UONOGXRCSA-N -1 0 311.381 3.925 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436775708 333998767 /nfs/dbraw/zinc/99/87/67/333998767.db2.gz XPZYDVJLOYKRKO-CQSZACIVSA-N -1 0 305.736 3.772 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414596187 334033483 /nfs/dbraw/zinc/03/34/83/334033483.db2.gz BMAZCHAENPMQML-CZUORRHYSA-N -1 0 318.417 3.569 20 0 DHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)NCCCCCC(=O)[O-])c1 ZINC000414617427 334041963 /nfs/dbraw/zinc/04/19/63/334041963.db2.gz YAUXWIMMAVUESN-HNNXBMFYSA-N -1 0 320.433 3.651 20 0 DHADRM C[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])CC12CCCCC2 ZINC000414633125 334048385 /nfs/dbraw/zinc/04/83/85/334048385.db2.gz ZZULWZCKZQSFMS-HNNXBMFYSA-N -1 0 324.465 3.633 20 0 DHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000414636992 334049676 /nfs/dbraw/zinc/04/96/76/334049676.db2.gz LBUKCQBSPWMHSI-LLVKDONJSA-N -1 0 318.442 3.990 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000110987044 334298970 /nfs/dbraw/zinc/29/89/70/334298970.db2.gz DPRXCNYBZGABPS-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000048835375 334301753 /nfs/dbraw/zinc/30/17/53/334301753.db2.gz HRINSFWMMYXFQX-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM O=C(NC[C@H]1CCc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000111632682 334350265 /nfs/dbraw/zinc/35/02/65/334350265.db2.gz LQJRXNUBJZPQJV-CYBMUJFWSA-N -1 0 301.773 3.505 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)[nH]c2c1 ZINC000532001857 334368428 /nfs/dbraw/zinc/36/84/28/334368428.db2.gz YQQZICNEADKVIB-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000112333859 334382910 /nfs/dbraw/zinc/38/29/10/334382910.db2.gz RBMNKBPBGAMVMU-UHFFFAOYSA-N -1 0 305.399 3.585 20 0 DHADRM FC(F)(F)c1nc(=N[C@H]2CCSc3ccccc32)s[n-]1 ZINC000341340114 334431728 /nfs/dbraw/zinc/43/17/28/334431728.db2.gz IQHLXFZDKUTXBF-QMMMGPOBSA-N -1 0 317.361 3.628 20 0 DHADRM CC(C)n1ncc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC000341724544 334473847 /nfs/dbraw/zinc/47/38/47/334473847.db2.gz YHQWOEJXTBDOTJ-UHFFFAOYSA-N -1 0 323.352 3.568 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000341833861 334483658 /nfs/dbraw/zinc/48/36/58/334483658.db2.gz LSSWTXHLANVSJM-ZHRRBRCNSA-N -1 0 323.502 3.742 20 0 DHADRM CCC(CC)(NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000342517750 334548691 /nfs/dbraw/zinc/54/86/91/334548691.db2.gz COPAUWLMBXPXRG-UHFFFAOYSA-N -1 0 324.380 3.694 20 0 DHADRM O=C([O-])CCCCCNc1ncc(Br)cc1Cl ZINC000416426057 334667451 /nfs/dbraw/zinc/66/74/51/334667451.db2.gz HHSLSLBNKBBQEM-UHFFFAOYSA-N -1 0 321.602 3.554 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2O)sc1Cl ZINC000188449931 334739361 /nfs/dbraw/zinc/73/93/61/334739361.db2.gz UHNNLVCPAALUKU-UHFFFAOYSA-N -1 0 317.819 3.525 20 0 DHADRM CC(C)c1ccc(C2(C(=O)N(C)CCC(=O)[O-])CCCC2)cc1 ZINC000428075545 334793006 /nfs/dbraw/zinc/79/30/06/334793006.db2.gz ZPESRAPERKOIEI-UHFFFAOYSA-N -1 0 317.429 3.555 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000190871538 335204948 /nfs/dbraw/zinc/20/49/48/335204948.db2.gz BUHNZHDHVSSUMK-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c(C)o1 ZINC000345101652 335298399 /nfs/dbraw/zinc/29/83/99/335298399.db2.gz JSEOSKIIELPFTR-UHFFFAOYSA-N -1 0 323.414 3.732 20 0 DHADRM COc1cc(C)c(NC(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000444619937 338476941 /nfs/dbraw/zinc/47/69/41/338476941.db2.gz QHGKGYPTENFTPA-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM O=C(CCCc1nccs1)Nc1cc(Cl)c([O-])cc1F ZINC000345621501 335337614 /nfs/dbraw/zinc/33/76/14/335337614.db2.gz JLZBFVGBQYHYKV-UHFFFAOYSA-N -1 0 314.769 3.603 20 0 DHADRM Cc1cc(C)cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345752377 335348145 /nfs/dbraw/zinc/34/81/45/335348145.db2.gz SJUSASAQJLKZGJ-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2sccc2C2CC2)c1 ZINC000345861692 335356180 /nfs/dbraw/zinc/35/61/80/335356180.db2.gz HSVGXQADBQZBSG-UHFFFAOYSA-N -1 0 301.367 3.505 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000345860002 335360946 /nfs/dbraw/zinc/36/09/46/335360946.db2.gz HMZNRGZZEDWYDY-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000345960818 335364159 /nfs/dbraw/zinc/36/41/59/335364159.db2.gz LQVIEZYQLZAFRC-LXZKKBNFSA-N -1 0 317.429 3.843 20 0 DHADRM CC(C)n1ncc(C(=O)Nc2cccc(Cl)c2[O-])c1C1CC1 ZINC000345971874 335365095 /nfs/dbraw/zinc/36/50/95/335365095.db2.gz LQLFNPCNRHQHPP-UHFFFAOYSA-N -1 0 319.792 3.953 20 0 DHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000346010589 335369493 /nfs/dbraw/zinc/36/94/93/335369493.db2.gz DDAAEKCUHHEFKX-SECBINFHSA-N -1 0 323.801 3.614 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]c2cccnc12 ZINC000346846262 335445923 /nfs/dbraw/zinc/44/59/23/335445923.db2.gz NRUWFFHJGGTALW-UHFFFAOYSA-N -1 0 322.151 3.828 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC000191035432 335457445 /nfs/dbraw/zinc/45/74/45/335457445.db2.gz QBDRKZQBWGDJDF-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCCC[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000347260313 335483998 /nfs/dbraw/zinc/48/39/98/335483998.db2.gz MIWOFHJAHQNDTP-SFHVURJKSA-N -1 0 323.392 3.631 20 0 DHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000526075594 335645159 /nfs/dbraw/zinc/64/51/59/335645159.db2.gz QMZPZSIJZUZUQS-UHFFFAOYSA-N -1 0 311.381 3.800 20 0 DHADRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccoc3)cc2s1 ZINC000349993621 335716633 /nfs/dbraw/zinc/71/66/33/335716633.db2.gz WZYKITASQNWRCX-UHFFFAOYSA-N -1 0 322.411 3.814 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000191411719 335742598 /nfs/dbraw/zinc/74/25/98/335742598.db2.gz PJLXAXAKCQHYGG-GFCCVEGCSA-N -1 0 323.348 3.948 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000191562529 335764830 /nfs/dbraw/zinc/76/48/30/335764830.db2.gz GVTAFDBEZVTXCT-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CNC(=O)c1ccc(-c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000563898975 335913047 /nfs/dbraw/zinc/91/30/47/335913047.db2.gz OPLYOBFDKYLBRC-GFCCVEGCSA-N -1 0 311.381 3.600 20 0 DHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000192518451 336064319 /nfs/dbraw/zinc/06/43/19/336064319.db2.gz JTEXHKBEHBATNI-LLVKDONJSA-N -1 0 319.788 3.887 20 0 DHADRM Cc1cc(Cl)cc(NC(=O)c2ccnn2C2CCCC2)c1O ZINC000332035920 336156455 /nfs/dbraw/zinc/15/64/55/336156455.db2.gz YEYMPKLTXCKZJD-UHFFFAOYSA-N -1 0 319.792 3.918 20 0 DHADRM Cc1sc(/C=C/c2nc3c(s2)C[C@@H](C)CC3)nc1C(=O)[O-] ZINC000352029434 336190313 /nfs/dbraw/zinc/19/03/13/336190313.db2.gz ZNBNFLAYQJHPAO-GJIOHYHPSA-N -1 0 320.439 3.901 20 0 DHADRM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccco1 ZINC000526115614 336193495 /nfs/dbraw/zinc/19/34/95/336193495.db2.gz NIUUAUDSEIIKIB-UHFFFAOYSA-N -1 0 313.334 3.980 20 0 DHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000352243565 336206164 /nfs/dbraw/zinc/20/61/64/336206164.db2.gz DSEMXHKFUUAQAR-KRWDZBQOSA-N -1 0 317.429 3.796 20 0 DHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(O)ccc1Cl ZINC000352303875 336211195 /nfs/dbraw/zinc/21/11/95/336211195.db2.gz FLSKJGSKKWUPKE-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000352390112 336215812 /nfs/dbraw/zinc/21/58/12/336215812.db2.gz BJOAVZQZQICRMF-CQSZACIVSA-N -1 0 321.760 3.758 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000037410477 336237607 /nfs/dbraw/zinc/23/76/07/336237607.db2.gz BWNXEQDQDSUFAI-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cccc3c2CCC3)cc1Cl ZINC000192851176 336271463 /nfs/dbraw/zinc/27/14/63/336271463.db2.gz FBTZFHVZLNNBAX-UHFFFAOYSA-N -1 0 315.756 3.779 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874604 336273730 /nfs/dbraw/zinc/27/37/30/336273730.db2.gz ODNSNBTZZCRORN-SJORKVTESA-N -1 0 323.477 3.942 20 0 DHADRM Cc1ccc2oc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC000325329492 336283697 /nfs/dbraw/zinc/28/36/97/336283697.db2.gz YVRQVKWEVJVEEA-CQSZACIVSA-N -1 0 321.332 3.570 20 0 DHADRM CC[C@H]1CCCCN1c1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000301740769 336326877 /nfs/dbraw/zinc/32/68/77/336326877.db2.gz XRARHHMPNWQZST-HNNXBMFYSA-N -1 0 312.417 3.630 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2coc3ccccc23)c1 ZINC000563905692 336374359 /nfs/dbraw/zinc/37/43/59/336374359.db2.gz WXEKWMVHYYBQDG-UHFFFAOYSA-N -1 0 309.321 3.522 20 0 DHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC000563965827 336388876 /nfs/dbraw/zinc/38/88/76/336388876.db2.gz FSSQHZFRTPSARL-QPUJVOFHSA-N -1 0 320.241 3.556 20 0 DHADRM COc1ccc(-c2cc(C)ccc2O[C@H](C)C(=O)[O-])cc1OC ZINC000563976707 336389388 /nfs/dbraw/zinc/38/93/88/336389388.db2.gz ZRHXMBITFPWHOD-GFCCVEGCSA-N -1 0 316.353 3.531 20 0 DHADRM COc1csc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000353873342 336445088 /nfs/dbraw/zinc/44/50/88/336445088.db2.gz BUAJLZDJQRDIDK-UHFFFAOYSA-N -1 0 301.726 3.507 20 0 DHADRM Cc1ccc(S([O-])=CC(=O)NCCCC2CCCCC2)cc1 ZINC000355929069 336528528 /nfs/dbraw/zinc/52/85/28/336528528.db2.gz MDFDDAQDAFDYJX-JOCHJYFZSA-N -1 0 321.486 3.579 20 0 DHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2sccc2C)c1 ZINC000356721038 336559180 /nfs/dbraw/zinc/55/91/80/336559180.db2.gz JFUQYJICUVGRGQ-LLVKDONJSA-N -1 0 311.428 3.565 20 0 DHADRM Cc1csc2[nH]c(C=Cc3cccc(C(=O)[O-])c3)nc(=O)c12 ZINC000358222787 336617693 /nfs/dbraw/zinc/61/76/93/336617693.db2.gz NSVLDDXKCRFPCX-WAYWQWQTSA-N -1 0 312.350 3.574 20 0 DHADRM CO[C@@H](C)c1nc(=NCc2cc(Cl)cc(Cl)c2)s[n-]1 ZINC000359467427 336674089 /nfs/dbraw/zinc/67/40/89/336674089.db2.gz AZVOSJFXWMLFLC-ZETCQYMHSA-N -1 0 318.229 3.586 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC000360100732 336701741 /nfs/dbraw/zinc/70/17/41/336701741.db2.gz YZHMCLNLULFAFI-AWEZNQCLSA-N -1 0 303.402 3.516 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1Cl ZINC000362400997 336795900 /nfs/dbraw/zinc/79/59/00/336795900.db2.gz GUTDSNRKOQUQMI-ZDUSSCGKSA-N -1 0 315.756 3.707 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1sccc1C1CC1 ZINC000362582288 336805067 /nfs/dbraw/zinc/80/50/67/336805067.db2.gz WZDJGRPDBNAMRM-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000362625734 336806985 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CC[C@H](CC1CCCCC1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000378471286 337073606 /nfs/dbraw/zinc/07/36/06/337073606.db2.gz DDOQKZYQYMKHMY-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1csc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)c1 ZINC000582497850 337101971 /nfs/dbraw/zinc/10/19/71/337101971.db2.gz DXJPUARUCRWTMO-UHFFFAOYSA-N -1 0 316.473 3.746 20 0 DHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000174012129 337140611 /nfs/dbraw/zinc/14/06/11/337140611.db2.gz XVJQMMNBYUNKFW-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(C)s1 ZINC000175972545 337150002 /nfs/dbraw/zinc/15/00/02/337150002.db2.gz QITSJEWNKUIOOW-UHFFFAOYSA-N -1 0 316.473 3.746 20 0 DHADRM Cc1ncsc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220307803 337160489 /nfs/dbraw/zinc/16/04/89/337160489.db2.gz MNEGGGLJLALQKV-UHFFFAOYSA-N -1 0 303.170 3.716 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178172020 337161174 /nfs/dbraw/zinc/16/11/74/337161174.db2.gz FAOIKWQTHREEKJ-UHFFFAOYSA-N -1 0 320.348 3.561 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000179981862 337173007 /nfs/dbraw/zinc/17/30/07/337173007.db2.gz MMAINAGVHFFEPZ-LSDHHAIUSA-N -1 0 303.402 3.664 20 0 DHADRM O=C([O-])c1csc(CN2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000582910743 337216620 /nfs/dbraw/zinc/21/66/20/337216620.db2.gz SWYDRELLKGVXFK-VFNNOXKTSA-N -1 0 314.410 3.519 20 0 DHADRM CN(Cc1nc2ccccc2s1)Cc1cc(O)cc(F)c1 ZINC000186165747 337254112 /nfs/dbraw/zinc/25/41/12/337254112.db2.gz SELHMRPXQDHDID-UHFFFAOYSA-N -1 0 302.374 3.773 20 0 DHADRM O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000583226873 337280645 /nfs/dbraw/zinc/28/06/45/337280645.db2.gz VIGGUGSKGDXSGH-UHFFFAOYSA-N -1 0 319.351 3.832 20 0 DHADRM C[C@H]1CCc2c(C(=O)Nc3cccc(C(=O)[O-])c3)csc2C1 ZINC000013094689 337300083 /nfs/dbraw/zinc/30/00/83/337300083.db2.gz DGIDNQVURNHXFM-JTQLQIEISA-N -1 0 315.394 3.823 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3C)coc2c1 ZINC000013169939 337307778 /nfs/dbraw/zinc/30/77/78/337307778.db2.gz UITUKTHPHAXVLU-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000583742402 337328056 /nfs/dbraw/zinc/32/80/56/337328056.db2.gz OUUVPUMWTSCMGG-LBPRGKRZSA-N -1 0 324.808 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])N(Cc1csc(C2CCCC2)n1)C1CCC1 ZINC000583764336 337331640 /nfs/dbraw/zinc/33/16/40/337331640.db2.gz FUQYYQDPCZWTIT-NSHDSACASA-N -1 0 308.447 3.628 20 0 DHADRM C/C=C\C[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000583849497 337341850 /nfs/dbraw/zinc/34/18/50/337341850.db2.gz MOPMLWBEXRZDRQ-OTDNITJGSA-N -1 0 317.172 3.534 20 0 DHADRM CCC[C@@](C)(NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036339808 337353179 /nfs/dbraw/zinc/35/31/79/337353179.db2.gz KZBLDCHICZULIC-CYBMUJFWSA-N -1 0 319.188 3.758 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2cccc(Cl)c2)CCCCCC1 ZINC000036947346 337361241 /nfs/dbraw/zinc/36/12/41/337361241.db2.gz ZCXRXSCLVCGUEM-UHFFFAOYSA-N -1 0 310.781 3.639 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000037367227 337364737 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CCC[C@](C)(NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-] ZINC000236809445 337465734 /nfs/dbraw/zinc/46/57/34/337465734.db2.gz ABWSLDKQKWOSES-KDOFPFPSSA-N -1 0 305.418 3.638 20 0 DHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237435909 337468746 /nfs/dbraw/zinc/46/87/46/337468746.db2.gz INUSSAULEIBKNU-LBPRGKRZSA-N -1 0 323.348 3.551 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000237626131 337469021 /nfs/dbraw/zinc/46/90/21/337469021.db2.gz MGVFLPKRGHZHAZ-NHYWBVRUSA-N -1 0 317.772 3.532 20 0 DHADRM Cc1csc(-c2cccc(NC(=O)CC(C)(C)C(=O)[O-])c2)n1 ZINC000237820590 337469599 /nfs/dbraw/zinc/46/95/99/337469599.db2.gz WROVQQAWVKRGDS-UHFFFAOYSA-N -1 0 318.398 3.558 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000238189853 337469957 /nfs/dbraw/zinc/46/99/57/337469957.db2.gz YVDANJHMYWWXKJ-UHFFFAOYSA-N -1 0 324.311 3.567 20 0 DHADRM OCCC[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000420594960 337508303 /nfs/dbraw/zinc/50/83/03/337508303.db2.gz FFJCZOPPMDLDBZ-OAHLLOKOSA-N -1 0 317.458 3.543 20 0 DHADRM COCc1nc(=N[C@@H](C)c2ccc(F)c3ccccc32)s[n-]1 ZINC000572198493 337596437 /nfs/dbraw/zinc/59/64/37/337596437.db2.gz KKDLRTTVWHBUMJ-JTQLQIEISA-N -1 0 317.389 3.572 20 0 DHADRM CCc1oc(C(=O)N2CCC3(CCCCC3)CC2)cc1C(=O)[O-] ZINC000261692171 337608709 /nfs/dbraw/zinc/60/87/09/337608709.db2.gz SAWJYYZWRDKUNL-UHFFFAOYSA-N -1 0 319.401 3.727 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)c1 ZINC000261902809 337612388 /nfs/dbraw/zinc/61/23/88/337612388.db2.gz WLSWPMDXOHBQOR-UHFFFAOYSA-N -1 0 309.365 3.672 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262239961 337616020 /nfs/dbraw/zinc/61/60/20/337616020.db2.gz UDPKBWIXLXNTAZ-HNNXBMFYSA-N -1 0 317.429 3.602 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC000262415810 337617491 /nfs/dbraw/zinc/61/74/91/337617491.db2.gz KAELIJJVGCGRKO-UKRRQHHQSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262436227 337618046 /nfs/dbraw/zinc/61/80/46/337618046.db2.gz CEPGFDXYYRMMDM-UHFFFAOYSA-N -1 0 317.429 3.706 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCCc3ccccc32)s1 ZINC000262438240 337618079 /nfs/dbraw/zinc/61/80/79/337618079.db2.gz UESZUMMVSKHPJE-UHFFFAOYSA-N -1 0 315.394 3.820 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000262459115 337618317 /nfs/dbraw/zinc/61/83/17/337618317.db2.gz XSQROIOUBWAHHN-OAHLLOKOSA-N -1 0 315.394 3.636 20 0 DHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262518480 337618917 /nfs/dbraw/zinc/61/89/17/337618917.db2.gz NKBIACRIGHTMRU-LBPRGKRZSA-N -1 0 315.369 3.563 20 0 DHADRM CCCCCN(CCCCC)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262664964 337620315 /nfs/dbraw/zinc/62/03/15/337620315.db2.gz VNSFIDZFGVJCJB-UHFFFAOYSA-N -1 0 306.406 3.602 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262685427 337620567 /nfs/dbraw/zinc/62/05/67/337620567.db2.gz AFQWESOCCDTXMC-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM C[C@H]1CC[C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000262719789 337620858 /nfs/dbraw/zinc/62/08/58/337620858.db2.gz DPDJYHKYVINGNZ-SCLBCKFNSA-N -1 0 323.392 3.682 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000262739406 337620960 /nfs/dbraw/zinc/62/09/60/337620960.db2.gz ABBWERUAEQRMNU-LJQANCHMSA-N -1 0 323.392 3.503 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262801295 337621466 /nfs/dbraw/zinc/62/14/66/337621466.db2.gz ALDREQJURICHJA-CRAIPNDOSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@](CNC(=O)C1(CC)CCCC1)(C(=O)[O-])c1ccccc1 ZINC000262889104 337622191 /nfs/dbraw/zinc/62/21/91/337622191.db2.gz BXJZSEWSNVCLRH-LJQANCHMSA-N -1 0 317.429 3.506 20 0 DHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc2ccccc2c1 ZINC000262938503 337622444 /nfs/dbraw/zinc/62/24/44/337622444.db2.gz KZISXLJAFBFACG-DLBZAZTESA-N -1 0 323.392 3.662 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000262993752 337622857 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Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCCCC(=O)[O-] ZINC000263265470 337625989 /nfs/dbraw/zinc/62/59/89/337625989.db2.gz HFNVYPHZUWXZBO-GFCCVEGCSA-N -1 0 303.358 3.563 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263300344 337626256 /nfs/dbraw/zinc/62/62/56/337626256.db2.gz WSTXETWHJZIUAI-JEYLPNPQSA-N -1 0 324.465 3.678 20 0 DHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000263322813 337626429 /nfs/dbraw/zinc/62/64/29/337626429.db2.gz RWWSCGDNZVZTHD-VIFPVBQESA-N -1 0 318.200 3.816 20 0 DHADRM CCC(CC)[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000263325472 337626444 /nfs/dbraw/zinc/62/64/44/337626444.db2.gz OQBHRTHCCPEUBF-IPYPFGDCSA-N -1 0 323.458 3.843 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263340785 337626585 /nfs/dbraw/zinc/62/65/85/337626585.db2.gz RWVAZFXYFQLKOI-MLGOLLRUSA-N -1 0 319.401 3.551 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263363258 337626947 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305.761 3.721 20 0 DHADRM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2[O-])c(F)c1 ZINC000436541953 338276186 /nfs/dbraw/zinc/27/61/86/338276186.db2.gz AYFYUFOKDQPJHY-UHFFFAOYSA-N -1 0 307.296 3.710 20 0 DHADRM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436550835 338276623 /nfs/dbraw/zinc/27/66/23/338276623.db2.gz ZDQWCYOIADVJKH-DGCLKSJQSA-N -1 0 322.191 3.985 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCc2cc(Cl)ccc21 ZINC000436555303 338276921 /nfs/dbraw/zinc/27/69/21/338276921.db2.gz LTGPDCKMUYWNJR-UHFFFAOYSA-N -1 0 309.699 3.527 20 0 DHADRM Cc1ncc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000436565727 338277247 /nfs/dbraw/zinc/27/72/47/338277247.db2.gz USPFWKGGKPNJAC-UHFFFAOYSA-N -1 0 313.744 3.550 20 0 DHADRM CCc1cnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000436576953 338278022 /nfs/dbraw/zinc/27/80/22/338278022.db2.gz SFFNJOFHMDZTIZ-UHFFFAOYSA-N -1 0 317.197 3.970 20 0 DHADRM CN(Cc1ccc[nH]1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436581193 338278091 /nfs/dbraw/zinc/27/80/91/338278091.db2.gz 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C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436822081 338288619 /nfs/dbraw/zinc/28/86/19/338288619.db2.gz NGQDCLWFSFZHSK-SSDOTTSWSA-N -1 0 311.250 3.521 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000436833131 338289247 /nfs/dbraw/zinc/28/92/47/338289247.db2.gz LHPXCSBWRGQSOL-UHFFFAOYSA-N -1 0 323.270 3.655 20 0 DHADRM CC(C)CN(CC(C)C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436854368 338290107 /nfs/dbraw/zinc/29/01/07/338290107.db2.gz FDUBBPZDIZYWBS-UHFFFAOYSA-N -1 0 301.789 3.939 20 0 DHADRM Cn1cc(-c2nc(-c3ccc(O)cc3)no2)c2cc(F)ccc21 ZINC000436867483 338290697 /nfs/dbraw/zinc/29/06/97/338290697.db2.gz BXFGJXFLLUUMLL-UHFFFAOYSA-N -1 0 309.300 3.740 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000436877398 338291213 /nfs/dbraw/zinc/29/12/13/338291213.db2.gz OWMCRTYSUCCPGA-UHFFFAOYSA-N -1 0 322.364 3.566 20 0 DHADRM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc([O-])c(Cl)c1 ZINC000436891198 338292195 /nfs/dbraw/zinc/29/21/95/338292195.db2.gz 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340672956 /nfs/dbraw/zinc/67/29/56/340672956.db2.gz AYFYJXTWPCANRX-INIZCTEOSA-N -1 0 319.445 3.571 20 0 DHADRM Cc1[nH]c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2c1C ZINC000237728318 340673434 /nfs/dbraw/zinc/67/34/34/340673434.db2.gz RMIXFZUXAGVHLR-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)s1 ZINC000238022471 340675496 /nfs/dbraw/zinc/67/54/96/340675496.db2.gz AXRNDYFSBTWPDP-UHFFFAOYSA-N -1 0 323.373 3.950 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000315598165 340676004 /nfs/dbraw/zinc/67/60/04/340676004.db2.gz QKBHMTDSGXPXNI-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3c(s2)CCCCCC3)CCC1 ZINC000316991569 340699549 /nfs/dbraw/zinc/69/95/49/340699549.db2.gz MDPPEASBRIOKSB-UHFFFAOYSA-N -1 0 321.442 3.534 20 0 DHADRM CCC(CC)(CC(=O)N[C@H](C)c1ccc(C)c(F)c1)C(=O)[O-] ZINC000317028775 340699665 /nfs/dbraw/zinc/69/96/65/340699665.db2.gz WWXOMKWUMFYXCB-GFCCVEGCSA-N -1 0 309.381 3.592 20 0 DHADRM 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324.471 3.841 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2noc(C(C)C)n2)cc1 ZINC000539796540 340900219 /nfs/dbraw/zinc/90/02/19/340900219.db2.gz HNELZGCBNAUDKU-LLVKDONJSA-N -1 0 323.418 3.507 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000540783661 340945829 /nfs/dbraw/zinc/94/58/29/340945829.db2.gz DTXRRYAEZWZOEN-YWEYNIOJSA-N -1 0 315.413 3.583 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541574297 340975412 /nfs/dbraw/zinc/97/54/12/340975412.db2.gz AHHWKVWUXVLGAG-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)c[nH]1 ZINC000130148962 341002856 /nfs/dbraw/zinc/00/28/56/341002856.db2.gz SZLADQMJRXEHIF-UHFFFAOYSA-N -1 0 305.548 3.933 20 0 DHADRM O=C(NCCCCC1CCCC1)c1cc(F)c(F)c([O-])c1F ZINC000542662397 341015963 /nfs/dbraw/zinc/01/59/63/341015963.db2.gz WEXQMIKPWSTJDG-UHFFFAOYSA-N -1 0 315.335 3.900 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)c2ccccc2F)c(C(=O)[O-])c1 ZINC000543447779 341045274 /nfs/dbraw/zinc/04/52/74/341045274.db2.gz 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CCOc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237066197 341206572 /nfs/dbraw/zinc/20/65/72/341206572.db2.gz XXOXCRHQDLFBNY-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1CCCCCC1)C(=O)[O-] ZINC000237392861 341213220 /nfs/dbraw/zinc/21/32/20/341213220.db2.gz WUTMEQLRLQHHRJ-OAHLLOKOSA-N -1 0 317.429 3.706 20 0 DHADRM CCC(CC)CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000134377684 341214235 /nfs/dbraw/zinc/21/42/35/341214235.db2.gz LJUJFODFYADLAS-UHFFFAOYSA-N -1 0 310.246 3.708 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237490717 341214886 /nfs/dbraw/zinc/21/48/86/341214886.db2.gz LMWLYGBGJXIXCJ-CQSZACIVSA-N -1 0 311.381 3.754 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000237606938 341216490 /nfs/dbraw/zinc/21/64/90/341216490.db2.gz OIHRAUZXFMVOEQ-HIFRSBDPSA-N -1 0 303.402 3.859 20 0 DHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc(Cl)cc1F ZINC000547499242 341218117 /nfs/dbraw/zinc/21/81/17/341218117.db2.gz CKPFMGZUVUKFRP-UHFFFAOYSA-N -1 0 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O=C([O-])c1cccc(-c2noc(-c3cc(F)c(F)c(F)c3)n2)c1 ZINC000321368370 600695908 /nfs/dbraw/zinc/69/59/08/600695908.db2.gz LRCITOCPRKKIHV-UHFFFAOYSA-N -1 0 320.226 3.519 20 0 DHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000675986434 600696329 /nfs/dbraw/zinc/69/63/29/600696329.db2.gz SMYGRBKVMYRPJW-ARFHVFGLSA-N -1 0 317.429 3.529 20 0 DHADRM Cc1cc(COC(=O)[C@H]2C[C@@H]2C2CCCCC2)oc1C(=O)[O-] ZINC000832885506 600697101 /nfs/dbraw/zinc/69/71/01/600697101.db2.gz OXBWPSCUVPORSM-KGLIPLIRSA-N -1 0 306.358 3.546 20 0 DHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000833025773 600697285 /nfs/dbraw/zinc/69/72/85/600697285.db2.gz QKMBKSIZCRIDOD-UONOGXRCSA-N -1 0 306.358 3.546 20 0 DHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1F ZINC000833168704 600697321 /nfs/dbraw/zinc/69/73/21/600697321.db2.gz CKZGZPYBMURJHJ-IJEWVQPXSA-N -1 0 320.360 3.711 20 0 DHADRM O=C([O-])c1cccc(-c2noc(CCCc3ccccc3)n2)c1 ZINC000320298959 600698443 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CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000315448180 600742739 /nfs/dbraw/zinc/74/27/39/600742739.db2.gz RYMPDIDNKYYGAB-ZYHUDNBSSA-N -1 0 308.353 3.614 20 0 DHADRM Cc1c(CN[C@@H](C(=O)[O-])c2ccccc2F)oc2ccccc12 ZINC000832853078 600750658 /nfs/dbraw/zinc/75/06/58/600750658.db2.gz CEEIRFBXSQBSIM-QGZVFWFLSA-N -1 0 313.328 3.796 20 0 DHADRM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1F ZINC000828983226 600751441 /nfs/dbraw/zinc/75/14/41/600751441.db2.gz PRQCHIOBUWXNGN-CVEARBPZSA-N -1 0 323.314 3.971 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000829305440 600779478 /nfs/dbraw/zinc/77/94/78/600779478.db2.gz XBRFKXGOHBLNMG-LLVKDONJSA-N -1 0 324.446 3.943 20 0 DHADRM CCOCCCOc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000830007187 600803875 /nfs/dbraw/zinc/80/38/75/600803875.db2.gz KLIDTBJOCIPDBT-UHFFFAOYSA-N -1 0 306.383 3.919 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C(C)(C)C ZINC000776675557 600806696 /nfs/dbraw/zinc/80/66/96/600806696.db2.gz 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600835190 /nfs/dbraw/zinc/83/51/90/600835190.db2.gz FBVDABJBZPPISX-HOTGVXAUSA-N -1 0 311.466 3.798 20 0 DHADRM O=C([O-])c1cccc(-c2nc(CSc3ncc[nH]3)cs2)c1 ZINC000833326662 600841850 /nfs/dbraw/zinc/84/18/50/600841850.db2.gz SQVNENPSBBIQQO-UHFFFAOYSA-N -1 0 317.395 3.524 20 0 DHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000399723930 600843865 /nfs/dbraw/zinc/84/38/65/600843865.db2.gz IMGDWRPRYSQSSB-ONGXEEELSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000399618496 600844685 /nfs/dbraw/zinc/84/46/85/600844685.db2.gz SHNLGQRCNOLQLQ-DOMZBBRYSA-N -1 0 318.417 3.701 20 0 DHADRM Cc1ccccc1CCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000391682567 600847739 /nfs/dbraw/zinc/84/77/39/600847739.db2.gz SDCNHXUSNGEGOD-MRXNPFEDSA-N -1 0 323.392 3.533 20 0 DHADRM CCCCC[C@H](C)CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000767088428 600851576 /nfs/dbraw/zinc/85/15/76/600851576.db2.gz KZXAMHNBXCJKKO-LBPRGKRZSA-N -1 0 309.406 3.851 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C/C2CCCCC2)c2ccccc21 ZINC000739640681 600853124 /nfs/dbraw/zinc/85/31/24/600853124.db2.gz FWDNSZBUCDLNRI-AUECHBEKSA-N -1 0 313.397 3.728 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000829305123 600862162 /nfs/dbraw/zinc/86/21/62/600862162.db2.gz RPYXZWCHYBIIKY-JONQDZQNSA-N -1 0 309.450 3.837 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000829305121 600862261 /nfs/dbraw/zinc/86/22/61/600862261.db2.gz RPYXZWCHYBIIKY-FZKCQIBNSA-N -1 0 309.450 3.837 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236799469 600867727 /nfs/dbraw/zinc/86/77/27/600867727.db2.gz XPHVNJBXICDMHK-PBHICJAKSA-N -1 0 317.429 3.631 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cccc(C(F)(F)F)c2)C1 ZINC000833186937 600873368 /nfs/dbraw/zinc/87/33/68/600873368.db2.gz KNELXBOXPTUZCE-NXEZZACHSA-N -1 0 316.275 3.502 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000315486880 600873794 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C/C(=C\C(=O)OCc1occc1C(=O)[O-])c1cccc(Cl)c1 ZINC000825724840 601475525 /nfs/dbraw/zinc/47/55/25/601475525.db2.gz WALJFKNZHGVQOO-JXMROGBWSA-N -1 0 320.728 3.778 20 0 DHADRM CCC(CC)N(C(=O)Nc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000828858886 601477852 /nfs/dbraw/zinc/47/78/52/601477852.db2.gz DYVIAJSQULDBEI-UHFFFAOYSA-N -1 0 308.353 3.709 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000830513448 601479549 /nfs/dbraw/zinc/47/95/49/601479549.db2.gz AXTSROZAYYXEIL-CYBMUJFWSA-N -1 0 305.378 3.501 20 0 DHADRM CC(C(=O)Nc1cccc(CSCC(=O)[O-])c1)=C1CCCC1 ZINC000826021738 601500937 /nfs/dbraw/zinc/50/09/37/601500937.db2.gz SEVSBAIATYFUSL-UHFFFAOYSA-N -1 0 319.426 3.833 20 0 DHADRM C[C@H]1CC/C(=C\C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000828207711 601502155 /nfs/dbraw/zinc/50/21/55/601502155.db2.gz PLJYEDFOMSQKJZ-REQDGWNSSA-N -1 0 317.385 3.615 20 0 DHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1F ZINC000827718332 601511800 /nfs/dbraw/zinc/51/18/00/601511800.db2.gz 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322.405 3.581 20 0 DHADRM CCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCC1 ZINC000387843925 601675661 /nfs/dbraw/zinc/67/56/61/601675661.db2.gz BJUXPFSCJARJTH-ZDUSSCGKSA-N -1 0 301.386 3.562 20 0 DHADRM CC[C@@H](C)CS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828753468 601677624 /nfs/dbraw/zinc/67/76/24/601677624.db2.gz OVTWNQRYLMMTPY-PWSUYJOCSA-N -1 0 309.431 3.800 20 0 DHADRM O=C([O-])CC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000581491822 601678550 /nfs/dbraw/zinc/67/85/50/601678550.db2.gz ITUCUFGARJAWEN-UHFFFAOYSA-N -1 0 320.389 3.640 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000828764133 601684066 /nfs/dbraw/zinc/68/40/66/601684066.db2.gz GDBOCZJDILUSNY-CZUORRHYSA-N -1 0 315.413 3.527 20 0 DHADRM CC(C)CC(C)(C)CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826759899 601696190 /nfs/dbraw/zinc/69/61/90/601696190.db2.gz UNINWDCCSLZAFC-UHFFFAOYSA-N -1 0 307.394 3.970 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)s2)cc1F ZINC000833352692 601702965 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O=C([O-])Nc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000833282770 602063452 /nfs/dbraw/zinc/06/34/52/602063452.db2.gz PFXRFSSHVOPKLB-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 ZINC000738622976 602070591 /nfs/dbraw/zinc/07/05/91/602070591.db2.gz XHFCTQLQMQAYPB-UHFFFAOYSA-N -1 0 305.280 3.504 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000827270510 602072957 /nfs/dbraw/zinc/07/29/57/602072957.db2.gz BFJDVWJYRHWFSA-KGLIPLIRSA-N -1 0 311.381 3.642 20 0 DHADRM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)CC(=O)[O-])ccc21 ZINC000830415703 602078889 /nfs/dbraw/zinc/07/88/89/602078889.db2.gz AQMLEAPENRFMPN-LBPRGKRZSA-N -1 0 324.380 3.864 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000833225449 602085534 /nfs/dbraw/zinc/08/55/34/602085534.db2.gz VDXWFVZMLHSLAI-ARFHVFGLSA-N -1 0 324.465 3.680 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000827311679 602090542 /nfs/dbraw/zinc/09/05/42/602090542.db2.gz 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LMRVKTOCMGLCMJ-MRVPVSSYSA-N -1 0 308.334 3.719 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)CCC(C)(C)NC(=O)[O-])c1 ZINC000738878329 602796686 /nfs/dbraw/zinc/79/66/86/602796686.db2.gz ZDZYSUQCTDEOGU-UHFFFAOYSA-N -1 0 306.406 3.599 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739237860 602810186 /nfs/dbraw/zinc/81/01/86/602810186.db2.gz ORFQQCYFUGCTJN-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)c1cnc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000738877508 602813170 /nfs/dbraw/zinc/81/31/70/602813170.db2.gz BFINUKVBCPJGDR-UHFFFAOYSA-N -1 0 323.349 3.748 20 0 DHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738589551 602814220 /nfs/dbraw/zinc/81/42/20/602814220.db2.gz OXPWNBJOFSOKJH-SNVBAGLBSA-N -1 0 318.398 3.507 20 0 DHADRM CC(C)[C@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000824058051 602828215 /nfs/dbraw/zinc/82/82/15/602828215.db2.gz VMIBWPKQMZJRDL-HNNXBMFYSA-N -1 0 313.357 3.550 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)CC/C=C/c2ccccc2)c1 ZINC000740673945 602837262 /nfs/dbraw/zinc/83/72/62/602837262.db2.gz JGQLXQCWQDRJKA-RUDMXATFSA-N -1 0 324.380 3.886 20 0 DHADRM O=C([O-])N1CCc2cc(NC(=O)c3coc4ccccc34)ccc21 ZINC000740465816 602842974 /nfs/dbraw/zinc/84/29/74/602842974.db2.gz LJJHJIYMIYUWGA-UHFFFAOYSA-N -1 0 322.320 3.726 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737801719 602848478 /nfs/dbraw/zinc/84/84/78/602848478.db2.gz HRBQCERAKMFWCN-OAHLLOKOSA-N -1 0 324.465 3.584 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@H]2c2ccco2)cc1 ZINC000738661511 602881019 /nfs/dbraw/zinc/88/10/19/602881019.db2.gz LYQDWQOJNWDMRB-AWEZNQCLSA-N -1 0 314.341 3.737 20 0 DHADRM CCN(Cc1cccc(NC(=O)N(CC)C2CCC2)c1)C(=O)[O-] ZINC000739444942 602902179 /nfs/dbraw/zinc/90/21/79/602902179.db2.gz ZOGPYECVIVVCOT-UHFFFAOYSA-N -1 0 319.405 3.593 20 0 DHADRM Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1NC(=O)[O-] ZINC000830210493 602917177 /nfs/dbraw/zinc/91/71/77/602917177.db2.gz AFESXYIZFCHRIV-YVEFUNNKSA-N -1 0 324.380 3.748 20 0 DHADRM Cc1nc2ccccc2cc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738365916 602962140 /nfs/dbraw/zinc/96/21/40/602962140.db2.gz SURQHCURQCUNCH-UHFFFAOYSA-N -1 0 322.320 3.852 20 0 DHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738139516 602997277 /nfs/dbraw/zinc/99/72/77/602997277.db2.gz OMKKCLBQFUKYPP-STQMWFEESA-N -1 0 323.418 3.572 20 0 DHADRM Cc1ccc(-c2noc(Cc3ccc(NC(=O)[O-])cc3)n2)cc1 ZINC000740101726 603005815 /nfs/dbraw/zinc/00/58/15/603005815.db2.gz DTSRVSLKXIFSFQ-UHFFFAOYSA-N -1 0 309.325 3.726 20 0 DHADRM COc1ccc(NC(=O)/C=C/C2CCCCC2)cc1NC(=O)[O-] ZINC000739921230 603006532 /nfs/dbraw/zinc/00/65/32/603006532.db2.gz PWIKGAJSBUKOFH-JXMROGBWSA-N -1 0 318.373 3.860 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738818361 603032379 /nfs/dbraw/zinc/03/23/79/603032379.db2.gz GHMGSZDOHKVYDL-SNVBAGLBSA-N -1 0 311.357 3.862 20 0 DHADRM CC1(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)CCCC1 ZINC000739071743 603032599 /nfs/dbraw/zinc/03/25/99/603032599.db2.gz WRAYZCYMSSCLSZ-UHFFFAOYSA-N -1 0 309.341 3.617 20 0 DHADRM CCSc1cccc(NC(=O)CC2CCN(C(=O)[O-])CC2)c1 ZINC000739517944 603032967 /nfs/dbraw/zinc/03/29/67/603032967.db2.gz MYADRWWTAZPESV-UHFFFAOYSA-N -1 0 322.430 3.517 20 0 DHADRM Cc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000740128901 603036595 /nfs/dbraw/zinc/03/65/95/603036595.db2.gz DELYRSATYYVJCI-UHFFFAOYSA-N -1 0 323.349 3.607 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc3cccnc32)cc1 ZINC000827914297 603039700 /nfs/dbraw/zinc/03/97/00/603039700.db2.gz MNLICBVPKDPLLS-UHFFFAOYSA-N -1 0 322.320 3.568 20 0 DHADRM C[C@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1cccs1 ZINC000823738573 603042248 /nfs/dbraw/zinc/04/22/48/603042248.db2.gz YVABGHDVNCPFQT-JTQLQIEISA-N -1 0 305.355 3.571 20 0 DHADRM CCN(Cc1nc(-c2cc(C)ccc2OC)cs1)C(=O)[O-] ZINC000739443039 603070474 /nfs/dbraw/zinc/07/04/74/603070474.db2.gz CCJRGWLLALKWDK-UHFFFAOYSA-N -1 0 306.387 3.627 20 0 DHADRM Cc1cccc2c1CCCN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738310161 603104133 /nfs/dbraw/zinc/10/41/33/603104133.db2.gz DBKMEEMRKVOLOH-UHFFFAOYSA-N -1 0 310.353 3.678 20 0 DHADRM CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738723527 603149851 /nfs/dbraw/zinc/14/98/51/603149851.db2.gz AQUHSISMBVJQTQ-STQMWFEESA-N -1 0 318.417 3.749 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000825442463 603171404 /nfs/dbraw/zinc/17/14/04/603171404.db2.gz HQFITZGTNVHYDT-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C=C2CCC(C)CC2)c1 ZINC000739923300 603174273 /nfs/dbraw/zinc/17/42/73/603174273.db2.gz XMQLLRSIQCTYGR-UHFFFAOYSA-N -1 0 318.373 3.860 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000825442630 603175528 /nfs/dbraw/zinc/17/55/28/603175528.db2.gz LVZOIAVKABMUQD-NSHDSACASA-N -1 0 323.352 3.749 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000825418133 603193172 /nfs/dbraw/zinc/19/31/72/603193172.db2.gz SEQIXFLSNXVTDQ-GFCCVEGCSA-N -1 0 304.390 3.924 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3occc3s2)c1 ZINC000740680742 603198831 /nfs/dbraw/zinc/19/88/31/603198831.db2.gz UDPTYHNMOUFIJR-UHFFFAOYSA-N -1 0 316.338 3.514 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739091065 603209602 /nfs/dbraw/zinc/20/96/02/603209602.db2.gz QZFYIVZWTNAZSQ-UEKVPHQBSA-N -1 0 320.364 3.709 20 0 DHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000739594518 603226268 /nfs/dbraw/zinc/22/62/68/603226268.db2.gz VJZYVRRVNRYBJG-UHFFFAOYSA-N -1 0 322.723 3.846 20 0 DHADRM CC1(C)CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739065124 603227382 /nfs/dbraw/zinc/22/73/82/603227382.db2.gz LWJQZCYNOJJATB-UHFFFAOYSA-N -1 0 308.353 3.568 20 0 DHADRM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739103238 603231734 /nfs/dbraw/zinc/23/17/34/603231734.db2.gz UTQYDOSZNFGZQR-WDEREUQCSA-N -1 0 324.808 3.986 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739101101 603233117 /nfs/dbraw/zinc/23/31/17/603233117.db2.gz CCQLUSZMIJIXDP-JTQLQIEISA-N -1 0 310.781 3.692 20 0 DHADRM CCN(Cc1cccs1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827192772 603242124 /nfs/dbraw/zinc/24/21/24/603242124.db2.gz COFBTWRDWIZEQG-UHFFFAOYSA-N -1 0 318.398 3.809 20 0 DHADRM Cc1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830390606 603245322 /nfs/dbraw/zinc/24/53/22/603245322.db2.gz VHTAZXULJKEBHI-GFCCVEGCSA-N -1 0 313.357 3.968 20 0 DHADRM C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CCCC1 ZINC000739025218 603250699 /nfs/dbraw/zinc/25/06/99/603250699.db2.gz VDVYZLAQXPAIQN-VIFPVBQESA-N -1 0 310.781 3.738 20 0 DHADRM CC(C)N(CCC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000738838887 603300980 /nfs/dbraw/zinc/30/09/80/603300980.db2.gz AEMCPCURPYGCHF-AWEZNQCLSA-N -1 0 322.405 3.502 20 0 DHADRM CC1(C)CCC(NC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000825713462 603310955 /nfs/dbraw/zinc/31/09/55/603310955.db2.gz AOTPERDTCRIILY-UHFFFAOYSA-N -1 0 305.378 3.867 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000826645888 603325663 /nfs/dbraw/zinc/32/56/63/603325663.db2.gz WLPZWDYNTCPVOH-INIZCTEOSA-N -1 0 323.368 3.960 20 0 DHADRM CCN(Cc1cccc(NC(=O)NC2(C)CCCC2)c1)C(=O)[O-] ZINC000739443812 603342774 /nfs/dbraw/zinc/34/27/74/603342774.db2.gz SPXNJFDHQWCHKM-UHFFFAOYSA-N -1 0 319.405 3.641 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1NC(=O)[O-] ZINC000830231137 603343220 /nfs/dbraw/zinc/34/32/20/603343220.db2.gz YZBFPOMDWPKZDT-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739357574 603353739 /nfs/dbraw/zinc/35/37/39/603353739.db2.gz REAKJWLPNUHOIO-UHFFFAOYSA-N -1 0 321.421 3.840 20 0 DHADRM CCCCN(CC)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739334670 603353863 /nfs/dbraw/zinc/35/38/63/603353863.db2.gz SIHZBGKNMBKEGG-UHFFFAOYSA-N -1 0 321.421 3.840 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCC(C)(C)C)cc1 ZINC000825434213 603364028 /nfs/dbraw/zinc/36/40/28/603364028.db2.gz OLCHCQSALMEWME-LLVKDONJSA-N -1 0 307.394 3.573 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000825426721 603367317 /nfs/dbraw/zinc/36/73/17/603367317.db2.gz ISCNRKNMQVLESW-XUJVJEKNSA-N -1 0 319.405 3.715 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1 ZINC000825426430 603377932 /nfs/dbraw/zinc/37/79/32/603377932.db2.gz DRJSOXNEGRHOJH-QWHCGFSZSA-N -1 0 319.405 3.812 20 0 DHADRM CCN(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)[C@H](C)C(C)C ZINC000826979552 603380727 /nfs/dbraw/zinc/38/07/27/603380727.db2.gz ISEYVJMWRZWPKB-QWHCGFSZSA-N -1 0 321.421 3.914 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc3cc[nH]c32)n1 ZINC000824217777 603412785 /nfs/dbraw/zinc/41/27/85/603412785.db2.gz HHYUWYXPEBBWMQ-GFCCVEGCSA-N -1 0 314.345 3.573 20 0 DHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3C3CCCCC3)n2)CCCC1 ZINC000832227708 603416435 /nfs/dbraw/zinc/41/64/35/603416435.db2.gz JBBBBXDCRPOAEA-OLZOCXBDSA-N -1 0 319.405 3.790 20 0 DHADRM CCc1ccc(-c2noc([C@@H]3CCC[C@H](NC(=O)[O-])C3)n2)cc1 ZINC000827569031 603420287 /nfs/dbraw/zinc/42/02/87/603420287.db2.gz HTTBHKINTKRYHY-KGLIPLIRSA-N -1 0 315.373 3.593 20 0 DHADRM C[C@@H](c1nc([C@@H](C)CN(C)C(=O)[O-])no1)c1cccc(Cl)c1 ZINC000824902731 603421665 /nfs/dbraw/zinc/42/16/65/603421665.db2.gz NUUWHPJMMHRIPZ-VHSXEESVSA-N -1 0 323.780 3.588 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000740673449 603433337 /nfs/dbraw/zinc/43/33/37/603433337.db2.gz CWQFFMMSYKQCEA-HNNXBMFYSA-N -1 0 324.380 3.513 20 0 DHADRM CCN(Cc1ccccc1NC(=O)[C@@H]1CC12CCCC2)C(=O)[O-] ZINC000827182082 603456522 /nfs/dbraw/zinc/45/65/22/603456522.db2.gz FXPDPQJVDJAIGP-AWEZNQCLSA-N -1 0 316.401 3.705 20 0 DHADRM CCCCCC[C@H](C)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826821677 603476641 /nfs/dbraw/zinc/47/66/41/603476641.db2.gz YDZQRMYWODQKHX-NFOMZHRRSA-N -1 0 312.454 3.630 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000737569342 603478732 /nfs/dbraw/zinc/47/87/32/603478732.db2.gz VCMPYLZJFGHKSX-SNVBAGLBSA-N -1 0 303.289 3.625 20 0 DHADRM CCC1(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCC1 ZINC000826637864 603511493 /nfs/dbraw/zinc/51/14/93/603511493.db2.gz AGGKFIABZLIJPG-UHFFFAOYSA-N -1 0 302.374 3.636 20 0 DHADRM Cc1ccc(C(=O)N2CCCc3cccc(C)c32)cc1NC(=O)[O-] ZINC000830191432 603529443 /nfs/dbraw/zinc/52/94/43/603529443.db2.gz AOIUJWGOXPCPJX-UHFFFAOYSA-N -1 0 324.380 3.986 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824244928 603530167 /nfs/dbraw/zinc/53/01/67/603530167.db2.gz MYPIZUBZRQAHTO-CABCVRRESA-N -1 0 318.417 3.650 20 0 DHADRM CCCOc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000826945269 603538338 /nfs/dbraw/zinc/53/83/38/603538338.db2.gz XRQNLAUXIBHWCK-UHFFFAOYSA-N -1 0 301.346 3.572 20 0 DHADRM Cc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1OC(F)F ZINC000830396128 603555518 /nfs/dbraw/zinc/55/55/18/603555518.db2.gz UZKBTLPBTBPQIH-UHFFFAOYSA-N -1 0 323.299 3.693 20 0 DHADRM CCN(Cc1ccccc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000827181841 603563939 /nfs/dbraw/zinc/56/39/39/603563939.db2.gz ATECEDNHOZIDPJ-FOLVSLTJSA-N -1 0 316.401 3.561 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825860407 603584905 /nfs/dbraw/zinc/58/49/05/603584905.db2.gz JEHONPCLMMSXPH-JMSVASOKSA-N -1 0 317.389 3.961 20 0 DHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1sc2c(c1C)CCCC2 ZINC000826721236 603633295 /nfs/dbraw/zinc/63/32/95/603633295.db2.gz QPXJZQVLFPVAEN-MRXNPFEDSA-N -1 0 324.446 3.700 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C(C)(C)c2cccs2)n1 ZINC000824217615 603768343 /nfs/dbraw/zinc/76/83/43/603768343.db2.gz HDVBDLGIFRCVAG-JTQLQIEISA-N -1 0 323.418 3.812 20 0 DHADRM CCN(Cc1ccccc1NC(=O)NC1(CC)CCC1)C(=O)[O-] ZINC000827187063 603810643 /nfs/dbraw/zinc/81/06/43/603810643.db2.gz ODRXMANKPUCPSH-UHFFFAOYSA-N -1 0 319.405 3.641 20 0 DHADRM CC(C)c1csc(NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000824483038 603895192 /nfs/dbraw/zinc/89/51/92/603895192.db2.gz VJESLMYGJXRCFS-UHFFFAOYSA-N -1 0 305.359 3.609 20 0 DHADRM CN(Cc1cc2ccccc2o1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828350565 603932450 /nfs/dbraw/zinc/93/24/50/603932450.db2.gz MHYCCMWMVOSDET-UHFFFAOYSA-N -1 0 324.336 3.795 20 0 DHADRM C[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825021988 603945896 /nfs/dbraw/zinc/94/58/96/603945896.db2.gz CILIDWDGHLMYEE-CYBMUJFWSA-N -1 0 324.380 3.544 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000827182230 603993722 /nfs/dbraw/zinc/99/37/22/603993722.db2.gz HLCQYNHTWYDWOP-CHWSQXEVSA-N -1 0 319.405 3.591 20 0 DHADRM Cc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)cc1NC(=O)[O-] ZINC000830233839 604055321 /nfs/dbraw/zinc/05/53/21/604055321.db2.gz JBQMSAQHOUDJTH-UHFFFAOYSA-N -1 0 319.748 3.694 20 0 DHADRM O=C([O-])NC1(CC(=O)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000832211094 604057517 /nfs/dbraw/zinc/05/75/17/604057517.db2.gz MOKRRQWQYSLXSQ-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000824880431 604070733 /nfs/dbraw/zinc/07/07/33/604070733.db2.gz GTRBYXULNXFYRA-CYBMUJFWSA-N -1 0 312.369 3.538 20 0 DHADRM COc1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1NC(=O)[O-] ZINC000829442579 604245827 /nfs/dbraw/zinc/24/58/27/604245827.db2.gz NIEXKESNGGFIAW-JTQLQIEISA-N -1 0 306.362 3.550 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)CC ZINC000828543482 604268538 /nfs/dbraw/zinc/26/85/38/604268538.db2.gz UYHALGLGPCZOBV-BBZHDZFZSA-N -1 0 317.385 3.781 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2ccccc2c1 ZINC000830528952 604274125 /nfs/dbraw/zinc/27/41/25/604274125.db2.gz VBKJRGZCJRJNNQ-UHFFFAOYSA-N -1 0 323.323 3.954 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000828284333 604284351 /nfs/dbraw/zinc/28/43/51/604284351.db2.gz DSXNXDGBJVVXSK-NSHDSACASA-N -1 0 313.328 3.678 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827134317 604293047 /nfs/dbraw/zinc/29/30/47/604293047.db2.gz QQSIPVRHODZFIF-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCc3ccccc32)cc1F ZINC000833309726 604307431 /nfs/dbraw/zinc/30/74/31/604307431.db2.gz KVFFTVQCSPCHIF-UHFFFAOYSA-N -1 0 313.328 3.507 20 0 DHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000832958450 604319395 /nfs/dbraw/zinc/31/93/95/604319395.db2.gz GCGAGHWHKVCVJP-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826844817 604342554 /nfs/dbraw/zinc/34/25/54/604342554.db2.gz LBDRZBJSVLKEDT-ZDUSSCGKSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)c1nsc(NCc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000824516131 604345536 /nfs/dbraw/zinc/34/55/36/604345536.db2.gz VEDYOUKYXFIVNP-JTQLQIEISA-N -1 0 320.418 3.602 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ccc(Cl)cn2)cc1 ZINC000825401769 604347680 /nfs/dbraw/zinc/34/76/80/604347680.db2.gz FTGHERUHSFIJFO-SNVBAGLBSA-N -1 0 305.765 3.676 20 0 DHADRM Cc1c(C(=O)N[C@H](CC(C)C)C(=O)[O-])sc2cccc(F)c12 ZINC000236616682 604353180 /nfs/dbraw/zinc/35/31/80/604353180.db2.gz TVUDFOCXDIUJFL-LLVKDONJSA-N -1 0 323.389 3.578 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000825809296 604367699 /nfs/dbraw/zinc/36/76/99/604367699.db2.gz SAPDBHUFMPYKNR-LBPRGKRZSA-N -1 0 320.389 3.525 20 0 DHADRM Cc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832963730 604387596 /nfs/dbraw/zinc/38/75/96/604387596.db2.gz KMDWZDGQLHYQQC-MRXNPFEDSA-N -1 0 311.381 3.577 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832911752 604391697 /nfs/dbraw/zinc/39/16/97/604391697.db2.gz WERZJPTZDDAOAL-AWEZNQCLSA-N -1 0 317.410 3.638 20 0 DHADRM C/C(=C\C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823526840 604443573 /nfs/dbraw/zinc/44/35/73/604443573.db2.gz DRAQQZDOUPGFKU-XSNHNAGMSA-N -1 0 318.417 3.624 20 0 DHADRM CCCC1(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CCC1 ZINC000826765998 604454467 /nfs/dbraw/zinc/45/44/67/604454467.db2.gz XLILSAJZUZNGQH-CYBMUJFWSA-N -1 0 318.417 3.602 20 0 DHADRM O=C([O-])c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2F)o1 ZINC000833313549 604454535 /nfs/dbraw/zinc/45/45/35/604454535.db2.gz YQVHSLDEMXDXTB-HNNXBMFYSA-N -1 0 321.323 3.983 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825610612 604456159 /nfs/dbraw/zinc/45/61/59/604456159.db2.gz IIMDBHYGJGKOPQ-LBPRGKRZSA-N -1 0 320.389 3.843 20 0 DHADRM CC(C)(C)SCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000833447352 604469222 /nfs/dbraw/zinc/46/92/22/604469222.db2.gz PPOSHNXAWYASQD-UHFFFAOYSA-N -1 0 321.442 3.586 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1sccc1C(=O)[O-] ZINC000833446977 604471879 /nfs/dbraw/zinc/47/18/79/604471879.db2.gz KYCYPJDFCUEUMZ-UHFFFAOYSA-N -1 0 301.433 3.697 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832922354 604488130 /nfs/dbraw/zinc/48/81/30/604488130.db2.gz WQFDPYCLHYUNQL-LLVKDONJSA-N -1 0 318.398 3.980 20 0 DHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827948303 604492405 /nfs/dbraw/zinc/49/24/05/604492405.db2.gz COKPTTXEFCLKSC-VIFPVBQESA-N -1 0 322.361 3.810 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833384892 604494303 /nfs/dbraw/zinc/49/43/03/604494303.db2.gz DIRWKGUDHYCOKB-BENRWUELSA-N -1 0 320.360 3.806 20 0 DHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000827478871 604499393 /nfs/dbraw/zinc/49/93/93/604499393.db2.gz VWBKSCAIOSGACA-VIFPVBQESA-N -1 0 322.361 3.511 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828739951 604512949 /nfs/dbraw/zinc/51/29/49/604512949.db2.gz UAFVNYWDRJPNNP-PWSUYJOCSA-N -1 0 310.419 3.879 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828739946 604513126 /nfs/dbraw/zinc/51/31/26/604513126.db2.gz UAFVNYWDRJPNNP-CMPLNLGQSA-N -1 0 310.419 3.879 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000833151625 604519958 /nfs/dbraw/zinc/51/99/58/604519958.db2.gz RVSCODWXLYEZSC-RYUDHWBXSA-N -1 0 308.403 3.537 20 0 DHADRM Cc1cccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000761620675 604522143 /nfs/dbraw/zinc/52/21/43/604522143.db2.gz SFDCRCKYCBBJMP-HNNXBMFYSA-N -1 0 317.772 3.546 20 0 DHADRM CC(C)(C)Oc1cccc(COc2ccccc2NC(=O)[O-])n1 ZINC000833447585 604533940 /nfs/dbraw/zinc/53/39/40/604533940.db2.gz WGINWSGNGSKCIH-UHFFFAOYSA-N -1 0 316.357 3.928 20 0 DHADRM CC(C)(C)[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000833428008 604535564 /nfs/dbraw/zinc/53/55/64/604535564.db2.gz SJMIOHVJHNXQAQ-GFCCVEGCSA-N -1 0 304.264 3.519 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2ccccc2Cl)oc1C(=O)[O-] ZINC000832873781 604544912 /nfs/dbraw/zinc/54/49/12/604544912.db2.gz FVFCJZTYCGLZCG-SECBINFHSA-N -1 0 308.717 3.858 20 0 DHADRM CCc1ccc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)o1 ZINC000833670818 604550098 /nfs/dbraw/zinc/55/00/98/604550098.db2.gz XKVYMWWLEXANQP-UHFFFAOYSA-N -1 0 324.380 3.580 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2cccc3[nH]ccc32)oc1C(=O)[O-] ZINC000832877413 604567168 /nfs/dbraw/zinc/56/71/68/604567168.db2.gz YQAWEPCCVAXFSW-JTQLQIEISA-N -1 0 313.309 3.686 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000833384216 604567669 /nfs/dbraw/zinc/56/76/69/604567669.db2.gz ANUWBKGHNWWNMO-ZRDIBKRKSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1ccc2ccccc2c1COC(=O)c1cccc(C(=O)[O-])n1 ZINC000832959318 604569520 /nfs/dbraw/zinc/56/95/20/604569520.db2.gz GTMVDSDJGBZHGG-UHFFFAOYSA-N -1 0 321.332 3.598 20 0 DHADRM CC1(C)CCC[C@H](CC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000833560506 604570689 /nfs/dbraw/zinc/57/06/89/604570689.db2.gz HXWJZTDDFFSCJS-LLVKDONJSA-N -1 0 324.446 3.705 20 0 DHADRM C[C@H]1CC/C(=C/C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833604262 604574737 /nfs/dbraw/zinc/57/47/37/604574737.db2.gz YPQQYZPBMFYYQD-IXJPEXDMSA-N -1 0 319.426 3.938 20 0 DHADRM CC1(C)CC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000833558892 604586159 /nfs/dbraw/zinc/58/61/59/604586159.db2.gz PWZLQSAPJWQTBZ-SNVBAGLBSA-N -1 0 309.341 3.616 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833385577 604587911 /nfs/dbraw/zinc/58/79/11/604587911.db2.gz HTCKAOXMFHMADS-POHAHGRESA-N -1 0 320.728 3.778 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)c2ccsc2)oc1C(=O)[O-] ZINC000832874820 604589898 /nfs/dbraw/zinc/58/98/98/604589898.db2.gz LUGABYWIGVEFBI-NXEZZACHSA-N -1 0 308.355 3.756 20 0 DHADRM CC(C)[C@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000833464975 604593943 /nfs/dbraw/zinc/59/39/43/604593943.db2.gz FUDXVBKFRGYBGZ-HNNXBMFYSA-N -1 0 320.316 3.600 20 0 DHADRM CC[C@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC000833642701 604598371 /nfs/dbraw/zinc/59/83/71/604598371.db2.gz HAKPMWVZYHKHEZ-AWEZNQCLSA-N -1 0 324.446 3.810 20 0 DHADRM CC1(C)CCC[C@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000833560186 604607233 /nfs/dbraw/zinc/60/72/33/604607233.db2.gz CJMLNBPRALFKKK-VIFPVBQESA-N -1 0 311.328 3.818 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833464670 604607484 /nfs/dbraw/zinc/60/74/84/604607484.db2.gz BDIWOCZCIBWDBX-CQSZACIVSA-N -1 0 321.373 3.964 20 0 DHADRM CCc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000161686370 604628635 /nfs/dbraw/zinc/62/86/35/604628635.db2.gz ZDFLLZPDAFUFNS-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM O=C([O-])NCc1ccc(Nc2nc(C(F)(F)F)cs2)cc1 ZINC000833281371 604632173 /nfs/dbraw/zinc/63/21/73/604632173.db2.gz ZCXZJUYXYBIHOQ-UHFFFAOYSA-N -1 0 317.292 3.673 20 0 DHADRM CCCn1nc(C)c(CNc2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000829591320 604643458 /nfs/dbraw/zinc/64/34/58/604643458.db2.gz RNLKEDJUJMKLEA-UHFFFAOYSA-N -1 0 316.405 3.636 20 0 DHADRM O=C([O-])Nc1cccc(NCc2cc3ccccc3[nH]c2=O)c1 ZINC000833288674 604645574 /nfs/dbraw/zinc/64/55/74/604645574.db2.gz FIMBJBPCLITJBN-UHFFFAOYSA-N -1 0 309.325 3.642 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])n1 ZINC000828870337 604646168 /nfs/dbraw/zinc/64/61/68/604646168.db2.gz OFTSAGVLQSUPMC-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000824231275 604653323 /nfs/dbraw/zinc/65/33/23/604653323.db2.gz GLRIOGCXWVJOFP-GPANFISMSA-N -1 0 324.465 3.630 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000833286001 604668653 /nfs/dbraw/zinc/66/86/53/604668653.db2.gz NERMGZQZAZNVDC-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC000051043803 604711052 /nfs/dbraw/zinc/71/10/52/604711052.db2.gz GSBSIWXUKUUZQF-VIFPVBQESA-N -1 0 321.174 3.715 20 0 DHADRM Cc1cc([C@@H](C)SC[C@@H](O)c2ccccc2)oc1C(=O)[O-] ZINC000832876220 604714505 /nfs/dbraw/zinc/71/45/05/604714505.db2.gz WODLOXDEDVAPGD-DGCLKSJQSA-N -1 0 306.383 3.814 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000826844777 604715447 /nfs/dbraw/zinc/71/54/47/604715447.db2.gz JLEYFSOTOMMDDN-HNNXBMFYSA-N -1 0 304.390 3.817 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000829207596 604715538 /nfs/dbraw/zinc/71/55/38/604715538.db2.gz BFPUFZCRZNAPGF-SWLSCSKDSA-N -1 0 304.390 3.817 20 0 DHADRM CCC[C@@](C)(NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)[O-] ZINC000761558361 604718754 /nfs/dbraw/zinc/71/87/54/604718754.db2.gz PTRNZNLLSGKWTI-PXUDHTSWSA-N -1 0 309.793 3.503 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833385635 604724263 /nfs/dbraw/zinc/72/42/63/604724263.db2.gz IIRBHAHFXFSUOV-YFHOEESVSA-N -1 0 320.728 3.778 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000540775741 604725875 /nfs/dbraw/zinc/72/58/75/604725875.db2.gz RFGUDUNKSXWEHT-HNNXBMFYSA-N -1 0 317.429 3.745 20 0 DHADRM Cc1ccc([C@@H](CNc2ncnc3c(C)cccc23)C(=O)[O-])cc1 ZINC000832923453 604774286 /nfs/dbraw/zinc/77/42/86/604774286.db2.gz MIUJLXYNQYHUTH-MRXNPFEDSA-N -1 0 321.380 3.527 20 0 DHADRM CC(C)CC(C)(C)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262223373 604775417 /nfs/dbraw/zinc/77/54/17/604775417.db2.gz VPRDEKFTNVLEGB-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CN(C(=O)[O-])c1ccc(NCc2cncc3ccccc32)cc1 ZINC000833684993 604775803 /nfs/dbraw/zinc/77/58/03/604775803.db2.gz ADKXSBHPVBNGJC-UHFFFAOYSA-N -1 0 307.353 3.961 20 0 DHADRM O=C([O-])c1occc1CNc1cccc(OC2CCCC2)c1 ZINC000833785438 604776843 /nfs/dbraw/zinc/77/68/43/604776843.db2.gz VRGPYSLRUOYHPA-UHFFFAOYSA-N -1 0 301.342 3.911 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCCC(F)(F)F)cc1 ZINC000833418728 604804634 /nfs/dbraw/zinc/80/46/34/604804634.db2.gz MUOXZUYBTNUQEQ-UHFFFAOYSA-N -1 0 317.307 3.720 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3ccsc3C(=O)[O-])ccc2n1 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CCCCC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(C)(C)C ZINC001589641803 949696902 /nfs/dbraw/zinc/69/69/02/949696902.db2.gz BGJZMORUVQMFAX-KGLIPLIRSA-N -1 0 314.470 3.637 20 0 DHADRM CCCCC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C(C)(C)C ZINC001589641804 949697271 /nfs/dbraw/zinc/69/72/71/949697271.db2.gz BGJZMORUVQMFAX-UONOGXRCSA-N -1 0 314.470 3.637 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001589641781 949697435 /nfs/dbraw/zinc/69/74/35/949697435.db2.gz ARODBEUKIKEYLD-OAHLLOKOSA-N -1 0 318.417 3.639 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589642396 949706620 /nfs/dbraw/zinc/70/66/20/949706620.db2.gz SDTAEYWZLIJEBF-KDOFPFPSSA-N -1 0 305.418 3.709 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589642578 949711140 /nfs/dbraw/zinc/71/11/40/949711140.db2.gz ZTMSQQZRJCAYQE-FPLPWBNLSA-N -1 0 307.390 3.714 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1cccc2c1CCCC2 ZINC001595265683 949746643 /nfs/dbraw/zinc/74/66/43/949746643.db2.gz YINHHIPQPAJTAG-UHFFFAOYSA-N -1 0 301.367 3.577 20 0 DHADRM CCCCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccn1 ZINC001589648285 949761142 /nfs/dbraw/zinc/76/11/42/949761142.db2.gz UJGCKFHPAOWECG-UHFFFAOYSA-N -1 0 312.369 3.535 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)OCc1ccc(Cl)c2ccccc12 ZINC001595276261 949916464 /nfs/dbraw/zinc/91/64/64/949916464.db2.gz CSGRBRCOEBQTRH-KGLIPLIRSA-N -1 0 318.756 3.647 20 0 DHADRM CCCN(CCC)c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001589680323 950041747 /nfs/dbraw/zinc/04/17/47/950041747.db2.gz UARMXBMJZMDHQT-MRXNPFEDSA-N -1 0 320.433 3.608 20 0 DHADRM CCCc1ccc(-c2ccc(NC(=O)NCC(=O)[O-])cc2)cc1 ZINC001589691194 950109850 /nfs/dbraw/zinc/10/98/50/950109850.db2.gz CLQYXPMGFNGOAQ-UHFFFAOYSA-N -1 0 312.369 3.512 20 0 DHADRM CCN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001589704008 950261985 /nfs/dbraw/zinc/26/19/85/950261985.db2.gz TUAZETFQQFXAFZ-AWEZNQCLSA-N -1 0 317.429 3.598 20 0 DHADRM Cc1coc2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc12 ZINC000263123412 950277609 /nfs/dbraw/zinc/27/76/09/950277609.db2.gz XFXNKQAGEJKINO-UHFFFAOYSA-N -1 0 304.346 3.506 20 0 DHADRM CCN(Cc1ccc(C)cc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589736274 950534085 /nfs/dbraw/zinc/53/40/85/950534085.db2.gz KWDAFEQIJKRBIY-UHFFFAOYSA-N -1 0 311.381 3.664 20 0 DHADRM CC(C)c1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000315368045 950843636 /nfs/dbraw/zinc/84/36/36/950843636.db2.gz NNPSEJPSPIXYKK-CYBMUJFWSA-N -1 0 304.390 3.529 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001602854306 971702431 /nfs/dbraw/zinc/70/24/31/971702431.db2.gz CBMGBANSFXEDJB-CABCVRRESA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])CC1(C(=O)Oc2cccc(Cl)c2Cl)CCC1 ZINC001594978058 950950220 /nfs/dbraw/zinc/95/02/20/950950220.db2.gz FYFHXCIJGYYGJA-UHFFFAOYSA-N -1 0 303.141 3.544 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2coc3ccccc23)c1 ZINC000322566813 951032149 /nfs/dbraw/zinc/03/21/49/951032149.db2.gz FALHJZAOLHYNTC-UHFFFAOYSA-N -1 0 309.321 3.702 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000325033716 951078941 /nfs/dbraw/zinc/07/89/41/951078941.db2.gz MYPQODAPEULYLC-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM CC(C)(C)CC[C@H](Nc1cc(Cl)nc(C2CC2)n1)C(=O)[O-] ZINC001602861749 971725051 /nfs/dbraw/zinc/72/50/51/971725051.db2.gz KXSPWSVIQIOFCI-JTQLQIEISA-N -1 0 311.813 3.699 20 0 DHADRM Cc1ccc(C)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000385827051 951286486 /nfs/dbraw/zinc/28/64/86/951286486.db2.gz WABUDVMELCIVQY-CQSZACIVSA-N -1 0 304.390 3.555 20 0 DHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001602869009 971739251 /nfs/dbraw/zinc/73/92/51/971739251.db2.gz XGDJFHJWZOXKHY-JKSUJKDBSA-N -1 0 317.429 3.562 20 0 DHADRM Cc1ccccc1CCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000392458332 951421449 /nfs/dbraw/zinc/42/14/49/951421449.db2.gz BCPIQXGQPKAGIS-KRWDZBQOSA-N -1 0 323.392 3.533 20 0 DHADRM O=C([O-])CCSCc1cc(F)c(C(F)(F)F)cc1F ZINC001595063968 951530685 /nfs/dbraw/zinc/53/06/85/951530685.db2.gz NIGBLBOMNLZSTG-UHFFFAOYSA-N -1 0 300.248 3.692 20 0 DHADRM CC(C)(CC(=O)Nc1ncccc1C(=O)[O-])C1CCCCC1 ZINC001602928693 971895563 /nfs/dbraw/zinc/89/55/63/971895563.db2.gz IJMAUABTVOSIRB-UHFFFAOYSA-N -1 0 304.390 3.715 20 0 DHADRM CCSCc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC001593597840 953383151 /nfs/dbraw/zinc/38/31/51/953383151.db2.gz UVKLOHJZZMPBLR-FZMZJTMJSA-N -1 0 324.446 3.561 20 0 DHADRM O=C([O-])CCC(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000414095957 953394907 /nfs/dbraw/zinc/39/49/07/953394907.db2.gz QAZIOYVYRBSJKP-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C)c(F)c1 ZINC001593609144 953445909 /nfs/dbraw/zinc/44/59/09/953445909.db2.gz LXVVUPUMVPIGPS-OAHLLOKOSA-N -1 0 317.316 3.535 20 0 DHADRM C[C@@H]1CC(CNC(=O)Nc2ccccc2CC(=O)[O-])C[C@@H](C)C1 ZINC001589285241 953559191 /nfs/dbraw/zinc/55/91/91/953559191.db2.gz UEQSNVQIDIGWIA-STQMWFEESA-N -1 0 318.417 3.508 20 0 DHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CCC(=O)[O-] ZINC000562873949 953593403 /nfs/dbraw/zinc/59/34/03/953593403.db2.gz OLNDYAWOYZWDFY-MRXNPFEDSA-N -1 0 305.418 3.501 20 0 DHADRM CCc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1CC ZINC001593635203 953605952 /nfs/dbraw/zinc/60/59/52/953605952.db2.gz FUKZMQDUCINMNC-AWEZNQCLSA-N -1 0 319.445 3.678 20 0 DHADRM CCc1ccc(CN(C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001593637774 953622470 /nfs/dbraw/zinc/62/24/70/953622470.db2.gz JUQKYDWKKUDHKG-UHFFFAOYSA-N -1 0 312.369 3.611 20 0 DHADRM CCc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001593639104 953633050 /nfs/dbraw/zinc/63/30/50/953633050.db2.gz SFUFTLXHHDBTRQ-CQSZACIVSA-N -1 0 306.406 3.650 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C[C@H]1C ZINC001589299349 953680823 /nfs/dbraw/zinc/68/08/23/953680823.db2.gz JXZYLBCDGNTHNY-NYTXWWLZSA-N -1 0 315.413 3.664 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC001589304058 953720999 /nfs/dbraw/zinc/72/09/99/953720999.db2.gz LLGWRUWPBADLBI-WFASDCNBSA-N -1 0 316.401 3.671 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000592360260 953744927 /nfs/dbraw/zinc/74/49/27/953744927.db2.gz CNFSPNAIOBXGHB-LLVKDONJSA-N -1 0 307.415 3.522 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000597025646 953780738 /nfs/dbraw/zinc/78/07/38/953780738.db2.gz DMLQXIFYUJMHJV-NKWVEPMBSA-N -1 0 322.213 3.527 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001589310575 953788404 /nfs/dbraw/zinc/78/84/04/953788404.db2.gz SCSJSFRTZOAQJA-TUVASFSCSA-N -1 0 311.466 3.558 20 0 DHADRM CCc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC000655535646 1013117797 /nfs/dbraw/zinc/11/77/97/1013117797.db2.gz ZDRXVJKAEFBDKY-LLVKDONJSA-N -1 0 317.410 3.523 20 0 DHADRM C[C@@H](CN(C)C(=O)Cc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000630276266 953848957 /nfs/dbraw/zinc/84/89/57/953848957.db2.gz RYLWBEGNZUEUMC-AWEZNQCLSA-N -1 0 317.429 3.602 20 0 DHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001589319712 953849166 /nfs/dbraw/zinc/84/91/66/953849166.db2.gz POECRGITXHYSPR-QWHCGFSZSA-N -1 0 304.390 3.723 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1 ZINC000630305024 953851732 /nfs/dbraw/zinc/85/17/32/953851732.db2.gz FLVUHOIXUBVILP-RDFMZFSFSA-N -1 0 301.386 3.512 20 0 DHADRM O=C([O-])CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000649369100 953993809 /nfs/dbraw/zinc/99/38/09/953993809.db2.gz JWKJQHLMZURUMA-CQSZACIVSA-N -1 0 309.793 3.649 20 0 DHADRM O=C([O-])CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000649369099 953994261 /nfs/dbraw/zinc/99/42/61/953994261.db2.gz JWKJQHLMZURUMA-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000652066418 954036150 /nfs/dbraw/zinc/03/61/50/954036150.db2.gz JKEREWCAAZIXQT-DOMZBBRYSA-N -1 0 323.820 3.689 20 0 DHADRM O=C([O-])[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C1CC1 ZINC001594843500 954105240 /nfs/dbraw/zinc/10/52/40/954105240.db2.gz MGWZPVVWXIOHAK-SNVBAGLBSA-N -1 0 324.452 3.619 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000653534038 954181476 /nfs/dbraw/zinc/18/14/76/954181476.db2.gz VUACEKNBOVIRMY-MELADBBJSA-N -1 0 318.417 3.560 20 0 DHADRM Cc1ccc(C)c(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653533777 954181647 /nfs/dbraw/zinc/18/16/47/954181647.db2.gz FPQHDBJNENBAMV-MELADBBJSA-N -1 0 318.417 3.560 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000655549689 954200619 /nfs/dbraw/zinc/20/06/19/954200619.db2.gz ZUHVDMVHZLPPED-OAHLLOKOSA-N -1 0 307.365 3.524 20 0 DHADRM C[C@H](NC(=O)CC1(C)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574570 954211340 /nfs/dbraw/zinc/21/13/40/954211340.db2.gz BMVBRFYKESACFW-MELADBBJSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])Cc1cccc(NCc2cccc(OC3CC3)c2F)c1 ZINC000656566486 954304032 /nfs/dbraw/zinc/30/40/32/954304032.db2.gz LLBGBLXPPWAUNH-UHFFFAOYSA-N -1 0 315.344 3.606 20 0 DHADRM CCC[C@@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659134290 954309929 /nfs/dbraw/zinc/30/99/29/954309929.db2.gz ORIZWVGCLLEXAD-CQSZACIVSA-N -1 0 323.820 3.595 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2CC2CCC2)c1 ZINC000659232091 954318508 /nfs/dbraw/zinc/31/85/08/954318508.db2.gz DGDHYKZGIIKRCV-MRXNPFEDSA-N -1 0 301.386 3.570 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc3cc[nH]c32)CCCCCC1 ZINC001594878400 954395670 /nfs/dbraw/zinc/39/56/70/954395670.db2.gz QJVHETSLYFTIHI-UHFFFAOYSA-N -1 0 300.358 3.532 20 0 DHADRM O=C([O-])[C@@]1(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CC=CCC1 ZINC001594878764 954399128 /nfs/dbraw/zinc/39/91/28/954399128.db2.gz MXWVYLAPJBTYBS-WMLDXEAASA-N -1 0 320.772 3.682 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000663054841 954426598 /nfs/dbraw/zinc/42/65/98/954426598.db2.gz QZZHAMGDDHOAEF-DZGCQCFKSA-N -1 0 313.397 3.562 20 0 DHADRM O=C([O-])C1(c2noc([C@H]3CCC[C@@H]3c3ccccc3)n2)CCC1 ZINC001594886607 954471480 /nfs/dbraw/zinc/47/14/80/954471480.db2.gz BOOWZIPYNGTYEQ-KGLIPLIRSA-N -1 0 312.369 3.627 20 0 DHADRM O=C([O-])C1(c2noc(-c3coc4ccc(Cl)cc34)n2)CCC1 ZINC001594887341 954475206 /nfs/dbraw/zinc/47/52/06/954475206.db2.gz NAXHUPIXIWGPLX-UHFFFAOYSA-N -1 0 318.716 3.643 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)NC2(CC(=O)[O-])CCCCC2)C1(C)C ZINC000675997162 954581634 /nfs/dbraw/zinc/58/16/34/954581634.db2.gz HXKXSVSCUQXEDF-ZFWWWQNUSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000683921632 954607079 /nfs/dbraw/zinc/60/70/79/954607079.db2.gz WSNFFHPMLBENPF-LBPRGKRZSA-N -1 0 312.797 3.741 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001603000302 972040146 /nfs/dbraw/zinc/04/01/46/972040146.db2.gz RICAYRKTTIKFLU-HOMMJUPQSA-N -1 0 319.401 3.712 20 0 DHADRM CCC(C)(C)NC(=S)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589449199 954791508 /nfs/dbraw/zinc/79/15/08/954791508.db2.gz UQGAGDOANPZMPA-UHFFFAOYSA-N -1 0 318.801 3.652 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001589463424 954872922 /nfs/dbraw/zinc/87/29/22/954872922.db2.gz AKMONEVLIVPHRG-HEHGZKQESA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@@H](C)c1ccc(COC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001589463466 954873675 /nfs/dbraw/zinc/87/36/75/954873675.db2.gz CIICKSAVJAGJLD-CYBMUJFWSA-N -1 0 302.370 3.664 20 0 DHADRM CC(C)[C@@H]1N(C(=O)C2(C(=O)[O-])CC=CC2)CC12CCCCCC2 ZINC001603002985 972052168 /nfs/dbraw/zinc/05/21/68/972052168.db2.gz UXCMQDDAXLOYSK-HNNXBMFYSA-N -1 0 319.445 3.615 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC001589467116 954912777 /nfs/dbraw/zinc/91/27/77/954912777.db2.gz PKGOYRKOVUJMOH-UHFFFAOYSA-N -1 0 319.445 3.622 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001589514017 955055773 /nfs/dbraw/zinc/05/57/73/955055773.db2.gz AAEFVAYVXJQQKZ-NUEKZKHPSA-N -1 0 309.450 3.695 20 0 DHADRM CCc1cc(=O)oc2cc(OCc3cccc(C(=O)[O-])c3)ccc12 ZINC000746297885 955262236 /nfs/dbraw/zinc/26/22/36/955262236.db2.gz BANZQWCINIRFCG-UHFFFAOYSA-N -1 0 324.332 3.633 20 0 DHADRM CC(C)c1nc2ccc(NC(=O)CCCC(=O)[O-])cc2s1 ZINC000753975525 955263347 /nfs/dbraw/zinc/26/33/47/955263347.db2.gz FGKFUYMQGNVZEO-UHFFFAOYSA-N -1 0 306.387 3.613 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000761723948 955313179 /nfs/dbraw/zinc/31/31/79/955313179.db2.gz JOUZAMVKGGRPIO-TZIYXEQSSA-N -1 0 323.820 3.606 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013114 955398830 /nfs/dbraw/zinc/39/88/30/955398830.db2.gz PSDBNQWQNMULNR-LRDDRELGSA-N -1 0 321.392 3.674 20 0 DHADRM C[C@@H](CCC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC001589013507 955404904 /nfs/dbraw/zinc/40/49/04/955404904.db2.gz XZLCOOWEXBBDID-AWEZNQCLSA-N -1 0 305.418 3.530 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589014231 955417501 /nfs/dbraw/zinc/41/75/01/955417501.db2.gz MKNPAFSTPOXXMS-KBXCAEBGSA-N -1 0 307.434 3.663 20 0 DHADRM Cn1c(NCc2ccc(C(=O)[O-])s2)nc2cc(Cl)ccc21 ZINC001594521647 955460434 /nfs/dbraw/zinc/46/04/34/955460434.db2.gz JEMKELVCUWFGEU-UHFFFAOYSA-N -1 0 321.789 3.599 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C(F)=C\C1CCCCC1 ZINC000836716374 955560453 /nfs/dbraw/zinc/56/04/53/955560453.db2.gz UGSXQBLWJXRHBQ-GXDHUFHOSA-N -1 0 305.349 3.686 20 0 DHADRM Cc1c(NC(=O)/C=C\c2ccccc2Cl)cccc1C(=O)[O-] ZINC000387304777 972117136 /nfs/dbraw/zinc/11/71/36/972117136.db2.gz OALYEZHQWVFVPE-KTKRTIGZSA-N -1 0 315.756 3.999 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000846118565 955684638 /nfs/dbraw/zinc/68/46/38/955684638.db2.gz PKMWSQZHSSIMLS-CLFYSBASSA-N -1 0 307.434 3.616 20 0 DHADRM C[C@H](CNC(=O)NCC1(C2CCCCC2)CCCCC1)C(=O)[O-] ZINC001589054528 955685718 /nfs/dbraw/zinc/68/57/18/955685718.db2.gz YXCSUCRANDOHFP-CQSZACIVSA-N -1 0 324.465 3.537 20 0 DHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001603054505 972121884 /nfs/dbraw/zinc/12/18/84/972121884.db2.gz XFQXEWLLNQQVIL-WMLDXEAASA-N -1 0 319.445 3.604 20 0 DHADRM C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001589063266 955732094 /nfs/dbraw/zinc/73/20/94/955732094.db2.gz HPWBGDUPFJYMIR-VIFPVBQESA-N -1 0 323.801 3.519 20 0 DHADRM CC(C)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000851601034 955786855 /nfs/dbraw/zinc/78/68/55/955786855.db2.gz NROBIINHDZZVPN-CQSZACIVSA-N -1 0 303.402 3.527 20 0 DHADRM CCN(c1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1)C(C)C ZINC000852951380 955874428 /nfs/dbraw/zinc/87/44/28/955874428.db2.gz XQNBNTWVAMJPHI-HNNXBMFYSA-N -1 0 320.433 3.607 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000864108158 955937706 /nfs/dbraw/zinc/93/77/06/955937706.db2.gz NMBQJRGKFJJTIW-ALCCZGGFSA-N -1 0 317.385 3.564 20 0 DHADRM CSCCCCCCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000864125920 955952203 /nfs/dbraw/zinc/95/22/03/955952203.db2.gz LBEMNJCZMKSWQH-UHFFFAOYSA-N -1 0 309.431 3.566 20 0 DHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001589098599 955995343 /nfs/dbraw/zinc/99/53/43/955995343.db2.gz WGYRFJBOZAILRH-ZDUSSCGKSA-N -1 0 323.392 3.682 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000872957706 956064987 /nfs/dbraw/zinc/06/49/87/956064987.db2.gz RIQVIKDJNCUJIO-LKBMAGLMSA-N -1 0 315.413 3.726 20 0 DHADRM CC(C)c1cccc(N(CCO)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001603105974 972178456 /nfs/dbraw/zinc/17/84/56/972178456.db2.gz NQZAJIJKIIIPEK-UHFFFAOYSA-N -1 0 313.397 3.507 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000655542986 1013146296 /nfs/dbraw/zinc/14/62/96/1013146296.db2.gz GBLYMTPVSIGIDM-QGZVFWFLSA-N -1 0 321.376 3.783 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001589168701 956446231 /nfs/dbraw/zinc/44/62/31/956446231.db2.gz MHEXDOTXHRPINV-NKWVEPMBSA-N -1 0 322.213 3.527 20 0 DHADRM C[C@H](c1ccccc1)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCCC1 ZINC001589176295 956504772 /nfs/dbraw/zinc/50/47/72/956504772.db2.gz DNMKZRXHNJAHMK-XOKHGSTOSA-N -1 0 315.413 3.630 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(C3CCCCC3)c2)C1 ZINC001589196439 956612266 /nfs/dbraw/zinc/61/22/66/956612266.db2.gz JXABGOROKWAISD-QGZVFWFLSA-N -1 0 321.442 3.733 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC001589207346 956675310 /nfs/dbraw/zinc/67/53/10/956675310.db2.gz YYURHNAPNKSWFC-UHFFFAOYSA-N -1 0 313.756 3.555 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)CC2CC(F)(F)C2)c1Cl ZINC001594678287 956676768 /nfs/dbraw/zinc/67/67/68/956676768.db2.gz KWLMMVXNQJJFSW-UHFFFAOYSA-N -1 0 321.682 3.551 20 0 DHADRM C[C@@H](CN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1)C1CCCCC1 ZINC000902193254 956682609 /nfs/dbraw/zinc/68/26/09/956682609.db2.gz SCYUTVUXRNDEFN-YXVBKTCISA-N -1 0 319.401 3.666 20 0 DHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)CCCC(=O)[O-] ZINC000902647698 956759164 /nfs/dbraw/zinc/75/91/64/956759164.db2.gz TVRUBJIQJXWKDC-AWEZNQCLSA-N -1 0 323.820 3.689 20 0 DHADRM Cc1ccccc1NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000006969170 956877940 /nfs/dbraw/zinc/87/79/40/956877940.db2.gz AQESLEIAULLBII-UHFFFAOYSA-N -1 0 300.383 3.811 20 0 DHADRM CCCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000009777997 956888580 /nfs/dbraw/zinc/88/85/80/956888580.db2.gz OBPFDUUZTLWDSE-JKSUJKDBSA-N -1 0 319.401 3.695 20 0 DHADRM O=C([O-])c1ccc(OCCOc2ccc(F)cc2)c(Cl)c1 ZINC000013085085 956935534 /nfs/dbraw/zinc/93/55/34/956935534.db2.gz ITFNKEOCSBICMK-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013094523 956945774 /nfs/dbraw/zinc/94/57/74/956945774.db2.gz FNNMUNWVTOXBSQ-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166412 956946713 /nfs/dbraw/zinc/94/67/13/956946713.db2.gz VJRHQMSBFMMQOB-UHFFFAOYSA-N -1 0 311.381 3.513 20 0 DHADRM Cc1ccc(SCC(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000013166039 956947393 /nfs/dbraw/zinc/94/73/93/956947393.db2.gz LFQWNECGYCKWMU-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM O=C(/C=C/c1ccco1)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171347 956954989 /nfs/dbraw/zinc/95/49/89/956954989.db2.gz QOQDKTVQGFPJPP-BQYQJAHWSA-N -1 0 307.305 3.783 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013178481 956959740 /nfs/dbraw/zinc/95/97/40/956959740.db2.gz AXIRHLNVQJNQFY-OAHLLOKOSA-N -1 0 317.772 3.594 20 0 DHADRM CC1=C(C)C[C@](C)(C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000907616945 956978679 /nfs/dbraw/zinc/97/86/79/956978679.db2.gz QCDMBWREFFDFSP-GOSISDBHSA-N -1 0 307.434 3.616 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000907629856 956978950 /nfs/dbraw/zinc/97/89/50/956978950.db2.gz PLPGEEKZDSYMHX-QAPCUYQASA-N -1 0 307.434 3.616 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001589256570 956999894 /nfs/dbraw/zinc/99/98/94/956999894.db2.gz RHQMLKAVUJKKJZ-KRWDZBQOSA-N -1 0 303.358 3.556 20 0 DHADRM CC(C)c1ccc2occ(C(=O)NCCCCC(=O)[O-])c2c1 ZINC000909187367 957007313 /nfs/dbraw/zinc/00/73/13/957007313.db2.gz LRSJXBVTYLOXHZ-UHFFFAOYSA-N -1 0 303.358 3.541 20 0 DHADRM C[C@H](CCNC(=O)c1coc(/C=C\C(=O)[O-])c1)CC(C)(C)C ZINC001603142409 972234041 /nfs/dbraw/zinc/23/40/41/972234041.db2.gz AYEFPCFNUMZYMN-FOQNGQEVSA-N -1 0 307.390 3.570 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])s1 ZINC000909495912 957023209 /nfs/dbraw/zinc/02/32/09/957023209.db2.gz AUCVICOWCMCVGQ-LLVKDONJSA-N -1 0 309.431 3.515 20 0 DHADRM CN(C(=O)CCc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC000013441844 957082864 /nfs/dbraw/zinc/08/28/64/957082864.db2.gz OZSPALVFOSCHHT-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000911663348 957085335 /nfs/dbraw/zinc/08/53/35/957085335.db2.gz FFAQMVFHPBAJAL-MRXNPFEDSA-N -1 0 319.376 3.523 20 0 DHADRM CC(C)c1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013448593 957087158 /nfs/dbraw/zinc/08/71/58/957087158.db2.gz CIJJHFAXRAWXCS-UHFFFAOYSA-N -1 0 309.365 3.711 20 0 DHADRM Cc1nc(CN(CC(=O)[O-])CC(C)(C)C)sc1C(C)(C)C ZINC000923260082 957107462 /nfs/dbraw/zinc/10/74/62/957107462.db2.gz OZBHVXZYPVPSBG-UHFFFAOYSA-N -1 0 312.479 3.682 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000035347703 957205308 /nfs/dbraw/zinc/20/53/08/957205308.db2.gz HUWKBBFPRWRQIJ-UHFFFAOYSA-N -1 0 310.136 3.944 20 0 DHADRM O=C([O-])c1ccc(SCc2nc(-c3ccsc3)no2)cc1 ZINC000036970449 957249967 /nfs/dbraw/zinc/24/99/67/957249967.db2.gz KXUPUHZERRAAMG-UHFFFAOYSA-N -1 0 318.379 3.789 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(SC)cc1 ZINC000037208083 957265188 /nfs/dbraw/zinc/26/51/88/957265188.db2.gz VTNKGPVTHJWEOZ-UHFFFAOYSA-N -1 0 304.367 3.694 20 0 DHADRM O=C([O-])c1ccc(OCc2coc(-c3cccs3)n2)cc1 ZINC000037207114 957265636 /nfs/dbraw/zinc/26/56/36/957265636.db2.gz WYQOJNCXTHBXBD-UHFFFAOYSA-N -1 0 301.323 3.680 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(F)cc2Cl)c1 ZINC000037403106 957275434 /nfs/dbraw/zinc/27/54/34/957275434.db2.gz QRFOJIPPVHLESV-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1ccc(NCc2ccc(Br)cc2F)cc1 ZINC000037470523 957304312 /nfs/dbraw/zinc/30/43/12/957304312.db2.gz IMHUMMYNNSAOGT-UHFFFAOYSA-N -1 0 324.149 3.899 20 0 DHADRM CCCc1sc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1CC ZINC000037590470 957311461 /nfs/dbraw/zinc/31/14/61/957311461.db2.gz CAYYEASWGCDECG-NSHDSACASA-N -1 0 311.447 3.588 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000037598789 957314707 /nfs/dbraw/zinc/31/47/07/957314707.db2.gz FJMWZSCMKOXOIK-JTQLQIEISA-N -1 0 310.444 3.557 20 0 DHADRM Cc1cccc(C)c1OCCCOc1cccc(C(=O)[O-])c1 ZINC000041508706 957390383 /nfs/dbraw/zinc/39/03/83/957390383.db2.gz PRXVREXHWWEANW-UHFFFAOYSA-N -1 0 300.354 3.850 20 0 DHADRM O=C([O-])c1ccc(OCc2nc3ccccc3o2)c(Cl)c1 ZINC000042301298 957408268 /nfs/dbraw/zinc/40/82/68/957408268.db2.gz LHRGPXGNZIIYOD-UHFFFAOYSA-N -1 0 303.701 3.758 20 0 DHADRM CN(Cc1ccccc1Cl)c1ncc(C(=O)[O-])cc1Cl ZINC000048879341 957467828 /nfs/dbraw/zinc/46/78/28/957467828.db2.gz ZYYQYKNDBWTPSK-UHFFFAOYSA-N -1 0 311.168 3.723 20 0 DHADRM CC(C)(C)c1nc(CN2CCC(CCC(=O)[O-])CC2)cs1 ZINC000050926534 957500997 /nfs/dbraw/zinc/50/09/97/957500997.db2.gz RVVCHLWJNCAIHR-UHFFFAOYSA-N -1 0 310.463 3.517 20 0 DHADRM O=C([O-])c1ccccc1OC(=O)Cc1cccc2ccccc21 ZINC000066143826 957641823 /nfs/dbraw/zinc/64/18/23/957641823.db2.gz KQUBPWZLNUJEHE-UHFFFAOYSA-N -1 0 306.317 3.686 20 0 DHADRM O=C([O-])c1ccccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000066144100 957642074 /nfs/dbraw/zinc/64/20/74/957642074.db2.gz XUDYEWSBTSXXRQ-JXMROGBWSA-N -1 0 302.713 3.657 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000069235526 957651597 /nfs/dbraw/zinc/65/15/97/957651597.db2.gz HIFCRKATPLEJNU-SNVBAGLBSA-N -1 0 312.797 3.984 20 0 DHADRM Cc1cc2c(ncnc2S[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000071569087 957725656 /nfs/dbraw/zinc/72/56/56/957725656.db2.gz SWYDGUGBDRPPRV-GFCCVEGCSA-N -1 0 316.407 3.918 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c1 ZINC001594282215 957757988 /nfs/dbraw/zinc/75/79/88/957757988.db2.gz OPISRYXQVVCOLD-TZMCWYRMSA-N -1 0 315.413 3.592 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(C(C)(C)C)o2)c1 ZINC001594286855 957786647 /nfs/dbraw/zinc/78/66/47/957786647.db2.gz YNNBJCVKYMUHAT-UHFFFAOYSA-N -1 0 315.369 3.514 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC001574788722 957797359 /nfs/dbraw/zinc/79/73/59/957797359.db2.gz WAYGTZHSQSRLRT-HLTSFMKQSA-N -1 0 311.740 3.552 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2ncc(C(C)C)s2)c1 ZINC001594288943 957804273 /nfs/dbraw/zinc/80/42/73/957804273.db2.gz FWUXHWPPHVJERV-UHFFFAOYSA-N -1 0 319.382 3.630 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2c(Cl)cccc2Cl)cc1 ZINC001574796211 957821531 /nfs/dbraw/zinc/82/15/31/957821531.db2.gz PKTXHDHEUZXIOU-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(C(F)F)c2)cc1 ZINC001574796923 957826326 /nfs/dbraw/zinc/82/63/26/957826326.db2.gz SOXQWZKIPZQRHS-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2CCC(C3CC3)CC2)c(F)c1 ZINC001574803303 957847835 /nfs/dbraw/zinc/84/78/35/957847835.db2.gz ZNRLNOYMBWPUNS-UHFFFAOYSA-N -1 0 305.349 3.679 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)nc1 ZINC001574805301 957855976 /nfs/dbraw/zinc/85/59/76/957855976.db2.gz UMLJTOATXVARBN-HZPDHXFCSA-N -1 0 324.380 3.692 20 0 DHADRM COc1cc(C)c([C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC001594054087 958009898 /nfs/dbraw/zinc/00/98/98/958009898.db2.gz FTKLCIFNMLYLBD-IUODEOHRSA-N -1 0 322.401 3.663 20 0 DHADRM O=C([O-])c1ccc(SCCc2ccc3c(c2)CCO3)cc1 ZINC000088100482 958043474 /nfs/dbraw/zinc/04/34/74/958043474.db2.gz RAZBWOUWXRXMFO-UHFFFAOYSA-N -1 0 300.379 3.655 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)ccc1-c1ccccc1 ZINC001594314923 958059455 /nfs/dbraw/zinc/05/94/55/958059455.db2.gz QWABZTOZEHIKMT-KRWDZBQOSA-N -1 0 309.365 3.711 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@@H](C3CCC3)C2)ccc1C(=O)[O-] ZINC001594317971 958091796 /nfs/dbraw/zinc/09/17/96/958091796.db2.gz VGTNJKADEPXRQV-CQSZACIVSA-N -1 0 316.401 3.737 20 0 DHADRM Cc1cc(NC(=O)c2ccc(C(C)(C)C)cn2)ccc1C(=O)[O-] ZINC001594325542 958167140 /nfs/dbraw/zinc/16/71/40/958167140.db2.gz MADHGIUBGCVVMK-UHFFFAOYSA-N -1 0 312.369 3.638 20 0 DHADRM C[C@](NC(=O)/C(F)=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603216378 972330981 /nfs/dbraw/zinc/33/09/81/972330981.db2.gz RUUIYOJKWMVDQD-NKAIQICCSA-N -1 0 319.376 3.536 20 0 DHADRM O=C([O-])CC1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000093681099 958254914 /nfs/dbraw/zinc/25/49/14/958254914.db2.gz DBOIXVORMONTDB-UHFFFAOYSA-N -1 0 322.455 3.558 20 0 DHADRM CC[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000094218607 958264538 /nfs/dbraw/zinc/26/45/38/958264538.db2.gz DHFLAFINERZHTB-CQSZACIVSA-N -1 0 311.790 3.538 20 0 DHADRM O=C([O-])c1csc(CNc2ccc(-c3cnco3)cc2)c1 ZINC000095005020 958328167 /nfs/dbraw/zinc/32/81/67/958328167.db2.gz RPAZDXJXZYBIIZ-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM CC(C)(C)OC(=O)N1CCC(Oc2cccc([S-])c2)CC1 ZINC001226015114 1013173508 /nfs/dbraw/zinc/17/35/08/1013173508.db2.gz FXGNCYIHOQSFIN-UHFFFAOYSA-N -1 0 309.431 3.754 20 0 DHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355435 958411211 /nfs/dbraw/zinc/41/12/11/958411211.db2.gz RSDARJDZFGTFOE-HOCLYGCPSA-N -1 0 319.445 3.569 20 0 DHADRM Cc1ccc(CCCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355843 958416059 /nfs/dbraw/zinc/41/60/59/958416059.db2.gz UDZBHKMNRXVICK-INIZCTEOSA-N -1 0 319.445 3.713 20 0 DHADRM COc1ccc(NCc2cccc(C(=O)[O-])c2)c2ncccc12 ZINC001594104960 958459563 /nfs/dbraw/zinc/45/95/63/958459563.db2.gz ATGKARLSFYOVMO-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM C/C(=C\C(=O)Nc1sccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588482656 958602070 /nfs/dbraw/zinc/60/20/70/958602070.db2.gz WRUIHENWKMRZRK-CMDGGOBGSA-N -1 0 305.330 3.627 20 0 DHADRM Cc1ccc(SC2(c3nc(CC(=O)[O-])no3)CCCC2)cc1 ZINC001594378940 958614738 /nfs/dbraw/zinc/61/47/38/958614738.db2.gz WAZMYIPVEADPAJ-UHFFFAOYSA-N -1 0 318.398 3.567 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573389785 958688366 /nfs/dbraw/zinc/68/83/66/958688366.db2.gz GHRMICXIKMLIPG-KGLIPLIRSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC001573396293 958721965 /nfs/dbraw/zinc/72/19/65/958721965.db2.gz WZKDBHMMMOSWPH-BCFZYGEVSA-N -1 0 321.461 3.599 20 0 DHADRM Cc1cccc([C@@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC001594397897 958789777 /nfs/dbraw/zinc/78/97/77/958789777.db2.gz OESKMLUDRGFYCJ-OAHLLOKOSA-N -1 0 318.442 3.665 20 0 DHADRM CC(=O)Nc1cc(NCc2ccc(C(=O)[O-])s2)ccc1Cl ZINC001588517241 958806013 /nfs/dbraw/zinc/80/60/13/958806013.db2.gz IKCNFFPUPNPLOX-UHFFFAOYSA-N -1 0 324.789 3.670 20 0 DHADRM Cc1cccc(Cl)c1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594403369 958868035 /nfs/dbraw/zinc/86/80/35/958868035.db2.gz BSSHYOSDARJONM-AATRIKPKSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1cccc(F)c1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594405143 958898158 /nfs/dbraw/zinc/89/81/58/958898158.db2.gz VWLANTNHADWVEL-LBPRGKRZSA-N -1 0 310.369 3.535 20 0 DHADRM CC(C)(C)c1ccccc1COC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001573463465 958927457 /nfs/dbraw/zinc/92/74/57/958927457.db2.gz DVVGCDDJHJVIRM-GOSISDBHSA-N -1 0 304.386 3.528 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@H](C(=O)[O-])C2CC2)c1Cl ZINC001573463681 958930220 /nfs/dbraw/zinc/93/02/20/958930220.db2.gz KRIJLPRKAQFYHS-LBPRGKRZSA-N -1 0 310.777 3.654 20 0 DHADRM Cc1cccc([C@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594409396 958935077 /nfs/dbraw/zinc/93/50/77/958935077.db2.gz BFRNFFSNJARFCB-CRALRDPISA-N -1 0 300.310 3.604 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594415644 958997134 /nfs/dbraw/zinc/99/71/34/958997134.db2.gz KHBAQWKBWKLQMJ-OAHLLOKOSA-N -1 0 319.445 3.668 20 0 DHADRM COc1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1C(=O)[O-] ZINC000391955684 972394323 /nfs/dbraw/zinc/39/43/23/972394323.db2.gz GACKFQWGAPTMSK-UHFFFAOYSA-N -1 0 317.385 3.548 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594418918 959041639 /nfs/dbraw/zinc/04/16/39/959041639.db2.gz PMPZMFPTBVXGMN-DLBZAZTESA-N -1 0 310.349 3.540 20 0 DHADRM CC(C)[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001573501179 959063695 /nfs/dbraw/zinc/06/36/95/959063695.db2.gz FZQVCGFQAOJPJP-DNVCBOLYSA-N -1 0 313.397 3.584 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001573501184 959064722 /nfs/dbraw/zinc/06/47/22/959064722.db2.gz FZQVCGFQAOJPJP-KXBFYZLASA-N -1 0 313.397 3.584 20 0 DHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594184495 959107028 /nfs/dbraw/zinc/10/70/28/959107028.db2.gz PFOXNUATLSYFBR-INIZCTEOSA-N -1 0 323.458 3.550 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 ZINC001588564213 959120382 /nfs/dbraw/zinc/12/03/82/959120382.db2.gz DCPXEFWALLLROZ-ZBFHGGJFSA-N -1 0 315.413 3.631 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001588571349 959185632 /nfs/dbraw/zinc/18/56/32/959185632.db2.gz WTTYUCQJKDWCES-GLQYFDAESA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)Cc1ccc([C@H](C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001573543384 959192962 /nfs/dbraw/zinc/19/29/62/959192962.db2.gz ARRAVDOGCIPICW-AWEZNQCLSA-N -1 0 319.445 3.606 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC001588575815 959226529 /nfs/dbraw/zinc/22/65/29/959226529.db2.gz UXCBUAWZKGDMNR-AWEZNQCLSA-N -1 0 311.381 3.521 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001594211888 959295953 /nfs/dbraw/zinc/29/59/53/959295953.db2.gz ABTQLXNAEFFFDV-PIGZYNQJSA-N -1 0 319.405 3.506 20 0 DHADRM C[C@H](C(=O)[O-])c1noc([C@@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC001588601853 959430306 /nfs/dbraw/zinc/43/03/06/959430306.db2.gz CCGRRAYNQUSCFB-COLVAYQJSA-N -1 0 308.337 3.682 20 0 DHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000190652097 959516978 /nfs/dbraw/zinc/51/69/78/959516978.db2.gz KHLRVKQZFJXMGZ-GJZGRUSLSA-N -1 0 317.429 3.590 20 0 DHADRM C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000191137038 959541913 /nfs/dbraw/zinc/54/19/13/959541913.db2.gz UMNBOADCQMQVTO-SJCJKPOMSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1cc(C)cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191400197 959558476 /nfs/dbraw/zinc/55/84/76/959558476.db2.gz FVJMIMIJLKUALS-CQSZACIVSA-N -1 0 311.381 3.819 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1(C)C ZINC001594245485 959563504 /nfs/dbraw/zinc/56/35/04/959563504.db2.gz RMOHSRRYRXHZKQ-DEYYWGMASA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192968397 959600776 /nfs/dbraw/zinc/60/07/76/959600776.db2.gz VRQWTVJIKIZUOE-DOMZBBRYSA-N -1 0 321.392 3.626 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001588632956 959627198 /nfs/dbraw/zinc/62/71/98/959627198.db2.gz BTSWAYSKSDWYFP-MRXNPFEDSA-N -1 0 311.381 3.624 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC001588634829 959645196 /nfs/dbraw/zinc/64/51/96/959645196.db2.gz VWDVPOCNSJFIKS-GFCCVEGCSA-N -1 0 320.776 3.574 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC001588635627 959655435 /nfs/dbraw/zinc/65/54/35/959655435.db2.gz LLRUFVWYAYXWFP-HUUCEWRRSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001588636004 959660346 /nfs/dbraw/zinc/66/03/46/959660346.db2.gz RSCCSNRDAFCSLD-OAGGEKHMSA-N -1 0 317.429 3.576 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000208059554 959667583 /nfs/dbraw/zinc/66/75/83/959667583.db2.gz JPVSDDMDSUXAOX-YHYXMXQVSA-N -1 0 315.756 3.619 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001588643042 959711917 /nfs/dbraw/zinc/71/19/17/959711917.db2.gz KHDOFYYYCKHXEX-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001588643043 959712023 /nfs/dbraw/zinc/71/20/23/959712023.db2.gz KHDOFYYYCKHXEX-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001588643187 959714003 /nfs/dbraw/zinc/71/40/03/959714003.db2.gz NMAYRLARDAZYOS-OCCSQVGLSA-N -1 0 304.390 3.721 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001573668026 959714749 /nfs/dbraw/zinc/71/47/49/959714749.db2.gz QXXIAEFLLUCBMV-CQSZACIVSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588644023 959721273 /nfs/dbraw/zinc/72/12/73/959721273.db2.gz XOOGYYSBCPJISR-HIFRSBDPSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-] ZINC001588647976 959747674 /nfs/dbraw/zinc/74/76/74/959747674.db2.gz JIPQUXYRNNBDKY-OAHLLOKOSA-N -1 0 303.402 3.573 20 0 DHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573689009 959752718 /nfs/dbraw/zinc/75/27/18/959752718.db2.gz BFZPPHYIZHWTHV-IBGZPJMESA-N -1 0 309.365 3.536 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc2cc[nH]c21)C(=O)[O-] ZINC001588650254 959757200 /nfs/dbraw/zinc/75/72/00/959757200.db2.gz DVYNSRRRSYXILS-ZDUSSCGKSA-N -1 0 317.389 3.569 20 0 DHADRM CC1=C(C)C[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573690948 959781111 /nfs/dbraw/zinc/78/11/11/959781111.db2.gz RDMRFRIELLMFAV-COXVUDFISA-N -1 0 313.397 3.552 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccnc3ccccc32)c1 ZINC000392556262 972496774 /nfs/dbraw/zinc/49/67/74/972496774.db2.gz BSUKLAROHQOMMC-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)C3CC4(CC4)C3)c2C(=O)[O-])C1 ZINC001573739128 960476066 /nfs/dbraw/zinc/47/60/66/960476066.db2.gz OWDFNYAACSMMTL-SECBINFHSA-N -1 0 319.426 3.700 20 0 DHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574257363 960541868 /nfs/dbraw/zinc/54/18/68/960541868.db2.gz HJBZULISVKJSRN-LLVKDONJSA-N -1 0 315.394 3.598 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001573770697 960666802 /nfs/dbraw/zinc/66/68/02/960666802.db2.gz VSDGOGRIPREEAK-DZGCQCFKSA-N -1 0 317.429 3.557 20 0 DHADRM CC(C)OCc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000236597367 960713103 /nfs/dbraw/zinc/71/31/03/960713103.db2.gz WBCFCZWTBIDNJA-UHFFFAOYSA-N -1 0 313.353 3.562 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001573783664 960719764 /nfs/dbraw/zinc/71/97/64/960719764.db2.gz PPYYYYSHTLIFTL-QLFBSQMISA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)(C)c1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000236644165 960723112 /nfs/dbraw/zinc/72/31/12/960723112.db2.gz KXPLQKNJYVWQIF-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001573785246 960732385 /nfs/dbraw/zinc/73/23/85/960732385.db2.gz PNCTUMZLAMLOFS-UHFFFAOYSA-N -1 0 303.280 3.535 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001573785380 960734236 /nfs/dbraw/zinc/73/42/36/960734236.db2.gz RPFAYMFDLVDZRV-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000236743963 960748456 /nfs/dbraw/zinc/74/84/56/960748456.db2.gz SERAOIRJVKOCLO-UHFFFAOYSA-N -1 0 305.418 3.749 20 0 DHADRM CCC(CC)n1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])n1 ZINC001573791277 960753833 /nfs/dbraw/zinc/75/38/33/960753833.db2.gz LZYSIAKLUIIMKF-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3c2cccc3Cl)c1 ZINC001574315085 960778288 /nfs/dbraw/zinc/77/82/88/960778288.db2.gz IRMMJDFKVHZZCP-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC001574315382 960780737 /nfs/dbraw/zinc/78/07/37/960780737.db2.gz LSRBRTSBBDRPKD-UHFFFAOYSA-N -1 0 323.392 3.588 20 0 DHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)cc1Cl ZINC001574316837 960796986 /nfs/dbraw/zinc/79/69/86/960796986.db2.gz ZDDCFRGGCOUPFU-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC001574317977 960798468 /nfs/dbraw/zinc/79/84/68/960798468.db2.gz FISBSDCTYMXSSX-UHFFFAOYSA-N -1 0 320.348 3.736 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1coc(C2CCC2)n1 ZINC000672485773 1013203452 /nfs/dbraw/zinc/20/34/52/1013203452.db2.gz BMOZMFQUSOOPRF-UHFFFAOYSA-N -1 0 310.712 3.693 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(C(C)C)cc1 ZINC000236994767 960827714 /nfs/dbraw/zinc/82/77/14/960827714.db2.gz WQTUUCLDCLWJFL-SFHVURJKSA-N -1 0 305.418 3.502 20 0 DHADRM Cc1cc(C)c(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)c1 ZINC001574322328 960830909 /nfs/dbraw/zinc/83/09/09/960830909.db2.gz NFYIRKBFSOVJHV-INIZCTEOSA-N -1 0 319.445 3.550 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1oc2ccc(Cl)cc2c1C ZINC000237071031 960864678 /nfs/dbraw/zinc/86/46/78/960864678.db2.gz BVVJDXJGCJGJIK-SECBINFHSA-N -1 0 323.776 3.720 20 0 DHADRM CCC(F)(F)C(C)(C)CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573809591 960873948 /nfs/dbraw/zinc/87/39/48/960873948.db2.gz QDZBGDULEZOKOB-UHFFFAOYSA-N -1 0 319.392 3.599 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)C(F)(F)F ZINC001263630213 960879289 /nfs/dbraw/zinc/87/92/89/960879289.db2.gz DTLKZSPKAMGAOK-UHFFFAOYSA-N -1 0 303.280 3.529 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)OC2CCCCCC2)ccc1C(=O)[O-] ZINC000237396196 960927799 /nfs/dbraw/zinc/92/77/99/960927799.db2.gz LXQPOMZGAMULON-CYBMUJFWSA-N -1 0 319.401 3.760 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001573819344 960938637 /nfs/dbraw/zinc/93/86/37/960938637.db2.gz AOJUJYSZAJOEBX-IBGZPJMESA-N -1 0 317.429 3.602 20 0 DHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCC1CCCC1)C(=O)[O-] ZINC000237480681 960944261 /nfs/dbraw/zinc/94/42/61/960944261.db2.gz UGCZCFBWPZINGZ-HNNXBMFYSA-N -1 0 317.429 3.706 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237629638 960979062 /nfs/dbraw/zinc/97/90/62/960979062.db2.gz DXWYQCCBOQPPLY-KRWDZBQOSA-N -1 0 309.365 3.671 20 0 DHADRM Cc1cc(NC(=O)C/C=C/c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237687407 960994643 /nfs/dbraw/zinc/99/46/43/960994643.db2.gz RMTVDXTUSNSIFO-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574357769 961010493 /nfs/dbraw/zinc/01/04/93/961010493.db2.gz YKQCPICGIZNSMM-YGNAEDSMSA-N -1 0 313.353 3.519 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001322999139 961015989 /nfs/dbraw/zinc/01/59/89/961015989.db2.gz JVCCYELZIVOWSI-NHYWBVRUSA-N -1 0 317.410 3.644 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237789004 961024163 /nfs/dbraw/zinc/02/41/63/961024163.db2.gz NJAQNPGGAQFTKW-MNOVXSKESA-N -1 0 319.357 3.636 20 0 DHADRM Cc1ccc(F)cc1[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574368959 961063790 /nfs/dbraw/zinc/06/37/90/961063790.db2.gz LJDVLCQDOOHLBT-IAQYHMDHSA-N -1 0 308.349 3.629 20 0 DHADRM CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCC[C@@H](C)C1 ZINC001573843267 961098572 /nfs/dbraw/zinc/09/85/72/961098572.db2.gz XGMJEACXWJMLIF-QKPAOTATSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000238130897 961120187 /nfs/dbraw/zinc/12/01/87/961120187.db2.gz SYVJQXBAANGMBK-UHFFFAOYSA-N -1 0 322.792 3.586 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC001588739626 961156770 /nfs/dbraw/zinc/15/67/70/961156770.db2.gz OBPFMWVQYPSPAR-UHFFFAOYSA-N -1 0 317.410 3.674 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccnc(-c2ccco2)c1 ZINC001574389645 961161191 /nfs/dbraw/zinc/16/11/91/961161191.db2.gz OXDRLNQHCCGPHQ-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM O=C([O-])CCCCCNC(=O)Nc1ccc2ccccc2c1 ZINC000243194010 961176848 /nfs/dbraw/zinc/17/68/48/961176848.db2.gz KBIODMPCNZJMAY-UHFFFAOYSA-N -1 0 300.358 3.606 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)cc1 ZINC001327820237 961181636 /nfs/dbraw/zinc/18/16/36/961181636.db2.gz WTZFKMPXZWTODY-GOSISDBHSA-N -1 0 323.392 3.818 20 0 DHADRM CCc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC001328478164 961208254 /nfs/dbraw/zinc/20/82/54/961208254.db2.gz MDGSMKVKLKIQMV-UHFFFAOYSA-N -1 0 318.398 3.566 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574402291 961239882 /nfs/dbraw/zinc/23/98/82/961239882.db2.gz WVNWXQSFDGFNAN-UXLLHSPISA-N -1 0 317.429 3.699 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccccc1C ZINC001574402092 961240725 /nfs/dbraw/zinc/24/07/25/961240725.db2.gz VHUGCRKWNBCPBT-UHFFFAOYSA-N -1 0 319.307 3.732 20 0 DHADRM Cc1cccc([C@H](C)OC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001574402415 961243054 /nfs/dbraw/zinc/24/30/54/961243054.db2.gz JFUOACJSWJKODQ-DGMVEKRQSA-N -1 0 300.310 3.604 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001574403929 961249275 /nfs/dbraw/zinc/24/92/75/961249275.db2.gz ZHRATTYEPFQNGL-MSOLQXFVSA-N -1 0 323.392 3.645 20 0 DHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001329809598 961312516 /nfs/dbraw/zinc/31/25/16/961312516.db2.gz QTDBHUKNZUDRPU-CYBMUJFWSA-N -1 0 313.353 3.572 20 0 DHADRM Cc1nc(C(C)C)ccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574416929 961321416 /nfs/dbraw/zinc/32/14/16/961321416.db2.gz BOKVPJDDZVNCFL-OAHLLOKOSA-N -1 0 320.433 3.523 20 0 DHADRM Cc1cccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000261640815 961384885 /nfs/dbraw/zinc/38/48/85/961384885.db2.gz DCHOXHRDWOSZQD-UHFFFAOYSA-N -1 0 311.381 3.584 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000261892024 961397689 /nfs/dbraw/zinc/39/76/89/961397689.db2.gz ZTVGBEAPPRLRMI-DLBZAZTESA-N -1 0 323.392 3.721 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC001588802888 961434501 /nfs/dbraw/zinc/43/45/01/961434501.db2.gz BSPBOMDSPTXDCC-MRXNPFEDSA-N -1 0 317.429 3.620 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000262169872 961519692 /nfs/dbraw/zinc/51/96/92/961519692.db2.gz QIQMDAQAJYEZDB-YUTCNCBUSA-N -1 0 321.442 3.935 20 0 DHADRM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001332188991 961524425 /nfs/dbraw/zinc/52/44/25/961524425.db2.gz GQFKYEHTPNOIJZ-UHFFFAOYSA-N -1 0 317.341 3.545 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001573924976 961543496 /nfs/dbraw/zinc/54/34/96/961543496.db2.gz SMPNUZFNNCLKBA-ACJLOTCBSA-N -1 0 318.369 3.501 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000262217874 961564007 /nfs/dbraw/zinc/56/40/07/961564007.db2.gz UXEFLDFBZDQNKB-IBGZPJMESA-N -1 0 317.429 3.746 20 0 DHADRM CCSc1ccc(CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001573932362 961585852 /nfs/dbraw/zinc/58/58/52/961585852.db2.gz QTVAPUWCGZWGIN-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCC[C@@H](F)C2)cccc1C(=O)[O-] ZINC001333383750 961709863 /nfs/dbraw/zinc/70/98/63/961709863.db2.gz PDXHOMQPCBIOLK-VXGBXAGGSA-N -1 0 323.364 3.639 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)cc1 ZINC001333523724 961716208 /nfs/dbraw/zinc/71/62/08/961716208.db2.gz WPIUIXYHFWVYEC-YOEHRIQHSA-N -1 0 317.429 3.843 20 0 DHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC(C(C)(C)C)CC1 ZINC001573979557 961755526 /nfs/dbraw/zinc/75/55/26/961755526.db2.gz JDSRRAKZTFYWTQ-ZUJMUWTESA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262529804 961760899 /nfs/dbraw/zinc/76/08/99/961760899.db2.gz SHFUSXMLGCCCIZ-YOEHRIQHSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC001588840393 961787220 /nfs/dbraw/zinc/78/72/20/961787220.db2.gz CUBJCUSRKQTYOF-QGZVFWFLSA-N -1 0 323.392 3.714 20 0 DHADRM CC(C)c1ccc(-c2nc(CN(C)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000262669598 961800059 /nfs/dbraw/zinc/80/00/59/961800059.db2.gz RAHVVHKSLQYFEC-GFCCVEGCSA-N -1 0 318.442 3.838 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc(C(C)C)s1 ZINC000262717417 961822748 /nfs/dbraw/zinc/82/27/48/961822748.db2.gz DAXPHULZJFDZPF-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC12CCCCC2 ZINC001588842906 961832083 /nfs/dbraw/zinc/83/20/83/961832083.db2.gz RZXVSBSCVSDIGM-KGLIPLIRSA-N -1 0 309.450 3.551 20 0 DHADRM Cc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])c(Cl)c1Cl ZINC001335885220 961943381 /nfs/dbraw/zinc/94/33/81/961943381.db2.gz HZGSKXHVJPPJGY-ZETCQYMHSA-N -1 0 304.173 3.741 20 0 DHADRM Cc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(Cl)c1Cl ZINC001335885219 961943696 /nfs/dbraw/zinc/94/36/96/961943696.db2.gz HZGSKXHVJPPJGY-SSDOTTSWSA-N -1 0 304.173 3.741 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2ncccc2C(F)(F)F)c1 ZINC001339135335 962008563 /nfs/dbraw/zinc/00/85/63/962008563.db2.gz PAMHZOXDCLZVSF-SNVBAGLBSA-N -1 0 324.302 3.901 20 0 DHADRM CC(C)CCCCCCNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588867454 962023466 /nfs/dbraw/zinc/02/34/66/962023466.db2.gz JRLXBGUSJYNAMH-UHFFFAOYSA-N -1 0 307.394 3.508 20 0 DHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588867425 962023974 /nfs/dbraw/zinc/02/39/74/962023974.db2.gz IFAAVNDHMWRVCR-CZUORRHYSA-N -1 0 303.402 3.720 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001588872168 962090772 /nfs/dbraw/zinc/09/07/72/962090772.db2.gz GWLWAFXAPKEFSL-HNNXBMFYSA-N -1 0 306.406 3.506 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC001588872417 962094421 /nfs/dbraw/zinc/09/44/21/962094421.db2.gz RCUDYSWCFSODGB-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001574599962 962157443 /nfs/dbraw/zinc/15/74/43/962157443.db2.gz YZCQOQYQYRGZLQ-UONOGXRCSA-N -1 0 313.328 3.542 20 0 DHADRM COCc1cc(NC(=O)CCCC(C)(C)C)cc(C(=O)[O-])c1 ZINC000263052086 962184983 /nfs/dbraw/zinc/18/49/83/962184983.db2.gz GHNJECJVQRAJFG-UHFFFAOYSA-N -1 0 307.390 3.686 20 0 DHADRM CC(C)C[C@H](NC(=O)Nc1cccc(C2CCC2)c1)C(=O)[O-] ZINC001588900891 962253888 /nfs/dbraw/zinc/25/38/88/962253888.db2.gz FPGGVGFNNBLWRK-HNNXBMFYSA-N -1 0 304.390 3.575 20 0 DHADRM CC(C)Cc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588906698 962286656 /nfs/dbraw/zinc/28/66/56/962286656.db2.gz SJHWTQADTVEIHN-HNNXBMFYSA-N -1 0 317.429 3.602 20 0 DHADRM COCc1cc(NC(=O)C2(CC(C)C)CCC2)cc(C(=O)[O-])c1 ZINC000263134549 962287362 /nfs/dbraw/zinc/28/73/62/962287362.db2.gz UBZMPKHJZREVET-UHFFFAOYSA-N -1 0 319.401 3.686 20 0 DHADRM CC1(C)C2CCC1(C(=O)NCCCCC1(C(=O)[O-])CCC1)CC2 ZINC001345783441 962299466 /nfs/dbraw/zinc/29/94/66/962299466.db2.gz STUSIEXQQNPMOY-UHFFFAOYSA-N -1 0 321.461 3.744 20 0 DHADRM CCCC[C@@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426646885 1013330146 /nfs/dbraw/zinc/33/01/46/1013330146.db2.gz NFIPJJXEULGQLF-CQSZACIVSA-N -1 0 304.415 3.543 20 0 DHADRM O=C([O-])C1(C(=O)OCCCc2cccc3ccccc32)CCC1 ZINC001574638055 962323629 /nfs/dbraw/zinc/32/36/29/962323629.db2.gz GFPGHSCNQLSUCC-UHFFFAOYSA-N -1 0 312.365 3.571 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)CC1CCC1)c1cccc2ccccc21 ZINC000263194968 962350087 /nfs/dbraw/zinc/35/00/87/962350087.db2.gz YAJLSZHUDHHZPI-QGZVFWFLSA-N -1 0 311.381 3.662 20 0 DHADRM CCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263200733 962356059 /nfs/dbraw/zinc/35/60/59/962356059.db2.gz YNSBRPYQUPPXBS-GUYCJALGSA-N -1 0 313.397 3.908 20 0 DHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000263263594 962402051 /nfs/dbraw/zinc/40/20/51/962402051.db2.gz GUPVABZZMBWPHE-WHCBVINPSA-N -1 0 323.820 3.798 20 0 DHADRM C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575919 1013339746 /nfs/dbraw/zinc/33/97/46/1013339746.db2.gz LZMQKWMJXIDSMN-CBBWQLFWSA-N -1 0 323.477 3.845 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000263279810 962417939 /nfs/dbraw/zinc/41/79/39/962417939.db2.gz JKWQNUMPMWPUTQ-SFHVURJKSA-N -1 0 321.392 3.818 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000263291624 962431642 /nfs/dbraw/zinc/43/16/42/962431642.db2.gz LPBKXMJJWNHPNB-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1 ZINC000263348147 962501076 /nfs/dbraw/zinc/50/10/76/962501076.db2.gz UTUPTMDDIMMQHW-KSSFIOAISA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)SCCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588941538 962541581 /nfs/dbraw/zinc/54/15/81/962541581.db2.gz LDHHTUOVTRGHOZ-CQSZACIVSA-N -1 0 307.459 3.672 20 0 DHADRM CC(C)Sc1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588943217 962551378 /nfs/dbraw/zinc/55/13/78/962551378.db2.gz RNMYIIBOJCWKQF-KGLIPLIRSA-N -1 0 322.426 3.731 20 0 DHADRM CCc1ccc(-c2nc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000263398610 962559474 /nfs/dbraw/zinc/55/94/74/962559474.db2.gz ZREIZZRTPXIWCB-GFCCVEGCSA-N -1 0 318.442 3.525 20 0 DHADRM CC(C)[C@@H]1C[C@@H](OC(=O)[C@H]2CC[C@H]2C(=O)[O-])c2ccccc21 ZINC001588953738 962579025 /nfs/dbraw/zinc/57/90/25/962579025.db2.gz AJSKIEBHDVTCAE-FXUDXRNXSA-N -1 0 302.370 3.525 20 0 DHADRM CC(C)(C)C[C@@H](NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263448118 962634649 /nfs/dbraw/zinc/63/46/49/962634649.db2.gz YPHUCSMXVUCZED-GFCCVEGCSA-N -1 0 303.324 3.842 20 0 DHADRM CC(C)c1ccc(CCC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001588966772 962649654 /nfs/dbraw/zinc/64/96/54/962649654.db2.gz KJYQZOIYMYUZHZ-UHFFFAOYSA-N -1 0 319.445 3.702 20 0 DHADRM CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263469145 962655889 /nfs/dbraw/zinc/65/58/89/962655889.db2.gz XGRCLDPCOHZWSH-UHFFFAOYSA-N -1 0 311.381 3.828 20 0 DHADRM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NCCCC(=O)[O-] ZINC000263476328 962662367 /nfs/dbraw/zinc/66/23/67/962662367.db2.gz MRVYZFICZPYVNC-HNNXBMFYSA-N -1 0 320.433 3.588 20 0 DHADRM CCCc1occc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000263480879 962666666 /nfs/dbraw/zinc/66/66/66/962666666.db2.gz AOEHJLSIZXVSAR-GFCCVEGCSA-N -1 0 315.369 3.748 20 0 DHADRM O=C([O-])CCCCCNC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001574699680 962676078 /nfs/dbraw/zinc/67/60/78/962676078.db2.gz RXYXKSNPKSTACV-RYUDHWBXSA-N -1 0 323.355 3.506 20 0 DHADRM C[C@@H](NC(=O)CC1CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583386 1013365995 /nfs/dbraw/zinc/36/59/95/1013365995.db2.gz XUVSJLXHBXPPED-VHDGCEQUSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)c1occc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001588980611 962715029 /nfs/dbraw/zinc/71/50/29/962715029.db2.gz AFNCZZJFIXLQTB-UHFFFAOYSA-N -1 0 313.353 3.694 20 0 DHADRM CCc1ccccc1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000263552747 962726293 /nfs/dbraw/zinc/72/62/93/962726293.db2.gz XGVUXWOHFUOKCZ-UHFFFAOYSA-N -1 0 311.381 3.745 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000263571860 962737853 /nfs/dbraw/zinc/73/78/53/962737853.db2.gz JZVMQVBRXITTRZ-UHFFFAOYSA-N -1 0 323.392 3.888 20 0 DHADRM CCCN(CCc1cccs1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000263573582 962740107 /nfs/dbraw/zinc/74/01/07/962740107.db2.gz MOCBREOKGTUPEJ-UHFFFAOYSA-N -1 0 317.410 3.541 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)CC(F)(F)F ZINC001517352212 962772107 /nfs/dbraw/zinc/77/21/07/962772107.db2.gz XOJIJEFBLWSHTM-SECBINFHSA-N -1 0 303.280 3.529 20 0 DHADRM C[C@H](CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)cc1 ZINC001588988895 962791164 /nfs/dbraw/zinc/79/11/64/962791164.db2.gz PHWQBQPFHWKNIY-DOMZBBRYSA-N -1 0 323.408 3.715 20 0 DHADRM O=C(Cc1cccc(O)c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220548709 1013407454 /nfs/dbraw/zinc/40/74/54/1013407454.db2.gz PAIQUCBLPCBJET-UHFFFAOYSA-N -1 0 312.152 3.586 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000314042325 963702934 /nfs/dbraw/zinc/70/29/34/963702934.db2.gz UXTCUSYDZFVPQB-UHFFFAOYSA-N -1 0 319.735 3.997 20 0 DHADRM Cc1cc(NC(=O)C2(c3ccccc3)CCC2)sc1C(=O)[O-] ZINC000314243694 963730798 /nfs/dbraw/zinc/73/07/98/963730798.db2.gz JBKRNMHLPSNNAD-UHFFFAOYSA-N -1 0 315.394 3.815 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000314444669 963754283 /nfs/dbraw/zinc/75/42/83/963754283.db2.gz IQONXBCVXMRTKS-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000314893027 963825797 /nfs/dbraw/zinc/82/57/97/963825797.db2.gz JHHKMNGGKJGKBQ-GFCCVEGCSA-N -1 0 323.820 3.942 20 0 DHADRM CC(C)CN(CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000316390579 964008149 /nfs/dbraw/zinc/00/81/49/964008149.db2.gz KRNADWDIYYLHQL-UHFFFAOYSA-N -1 0 322.792 3.538 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000316396806 964008665 /nfs/dbraw/zinc/00/86/65/964008665.db2.gz SBYQHUGWOFJEOM-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000317032770 964089347 /nfs/dbraw/zinc/08/93/47/964089347.db2.gz QTXPTNCQFMLBCY-UHFFFAOYSA-N -1 0 304.390 3.503 20 0 DHADRM CSc1nc(Nc2ccc(OC(C)C)c(F)c2)cc(=O)[nH]1 ZINC001209996987 1013471928 /nfs/dbraw/zinc/47/19/28/1013471928.db2.gz NRXXJXZEHKQCRH-UHFFFAOYSA-N -1 0 309.366 3.574 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584311 1013493200 /nfs/dbraw/zinc/49/32/00/1013493200.db2.gz INTFEWQCTIZQNW-DRPJVOAASA-N -1 0 323.477 3.845 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584310 1013493667 /nfs/dbraw/zinc/49/36/67/1013493667.db2.gz INTFEWQCTIZQNW-DMRZNYOFSA-N -1 0 323.477 3.845 20 0 DHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000519870985 1013619009 /nfs/dbraw/zinc/61/90/09/1013619009.db2.gz TUMWTIQOHCENGX-ZHRRBRCNSA-N -1 0 316.422 3.634 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000520359974 1013721505 /nfs/dbraw/zinc/72/15/05/1013721505.db2.gz JCSXPJJUZFVMAA-TZMCWYRMSA-N -1 0 315.442 3.782 20 0 DHADRM O=C([O-])CCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000037827893 967514160 /nfs/dbraw/zinc/51/41/60/967514160.db2.gz GOTAEYQWGWJKIQ-UHFFFAOYSA-N -1 0 323.439 3.593 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc2sccc2c1)C(=O)[O-] ZINC000088129215 967585137 /nfs/dbraw/zinc/58/51/37/967585137.db2.gz YSQFZUQZTBGODR-ZANVPECISA-N -1 0 306.387 3.522 20 0 DHADRM Cc1ccc(C)c(C(=O)N(C)[C@@H](C)c2cccs2)c1C(=O)[O-] ZINC000389073013 1013744542 /nfs/dbraw/zinc/74/45/42/1013744542.db2.gz WRATWSDVCJBNNB-LBPRGKRZSA-N -1 0 317.410 3.896 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000237935223 967784818 /nfs/dbraw/zinc/78/48/18/967784818.db2.gz HUHKYIJQLYPDMF-WGPYJDKQSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1ccc(CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)o1 ZINC000683616980 1013748646 /nfs/dbraw/zinc/74/86/46/1013748646.db2.gz XIVAGWHSCWRXEV-UHFFFAOYSA-N -1 0 323.751 3.891 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566239026 968429483 /nfs/dbraw/zinc/42/94/83/968429483.db2.gz LOROBCJVQMQSIV-DOMZBBRYSA-N -1 0 318.417 3.693 20 0 DHADRM CCCC[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C ZINC000621707864 968513464 /nfs/dbraw/zinc/51/34/64/968513464.db2.gz BFUWSSXKVYZYLJ-ZQDZILKHSA-N -1 0 311.466 3.700 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000630569548 968538877 /nfs/dbraw/zinc/53/88/77/968538877.db2.gz PGHLKYFDYFNIIQ-VXGBXAGGSA-N -1 0 324.808 3.531 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000653304524 968647211 /nfs/dbraw/zinc/64/72/11/968647211.db2.gz OOKKDUOWEUHHCV-CYBMUJFWSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])CCCCC(=O)NCc1ccc(-c2cccs2)cc1 ZINC000659170017 968726020 /nfs/dbraw/zinc/72/60/20/968726020.db2.gz GHHIEMWXAGHXPZ-UHFFFAOYSA-N -1 0 317.410 3.676 20 0 DHADRM Cc1ccc(-c2nc(CN(CC(=O)[O-])CC(C)(C)C)cs2)o1 ZINC000662223783 968759767 /nfs/dbraw/zinc/75/97/67/968759767.db2.gz MNBGWCWNNWHQJX-UHFFFAOYSA-N -1 0 322.430 3.644 20 0 DHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000679547970 968866307 /nfs/dbraw/zinc/86/63/07/968866307.db2.gz HPXPIWRFJOTPNR-AWEZNQCLSA-N -1 0 324.336 3.667 20 0 DHADRM Cc1c(Cl)c(CN(CC(=O)[O-])C2CCC2)nc2ccccc12 ZINC000655933225 1013832591 /nfs/dbraw/zinc/83/25/91/1013832591.db2.gz FETMGAAKAKOHIC-UHFFFAOYSA-N -1 0 318.804 3.636 20 0 DHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000330868622 1013843132 /nfs/dbraw/zinc/84/31/32/1013843132.db2.gz PJPBLVFURCENJK-KCJUWKMLSA-N -1 0 304.173 3.595 20 0 DHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000123658332 1013858443 /nfs/dbraw/zinc/85/84/43/1013858443.db2.gz IFKKJXVHMJXNDC-OAHLLOKOSA-N -1 0 313.372 3.941 20 0 DHADRM CC(C)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000078880558 1013868726 /nfs/dbraw/zinc/86/87/26/1013868726.db2.gz NSVFSFAYKLNQJS-AWEZNQCLSA-N -1 0 311.809 3.654 20 0 DHADRM O=C([O-])c1ccccc1CNc1nc(C2CCCC2)ns1 ZINC000873065897 969354036 /nfs/dbraw/zinc/35/40/36/969354036.db2.gz WQUBFVPQYITPKR-UHFFFAOYSA-N -1 0 303.387 3.506 20 0 DHADRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)C1CCCCCCC1 ZINC000901745431 969470145 /nfs/dbraw/zinc/47/01/45/969470145.db2.gz XXGMCCORFDBXKA-KTKRTIGZSA-N -1 0 305.374 3.562 20 0 DHADRM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)cc1Cl ZINC000909481410 969625051 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C[C@@H](Nc1ncc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092493 1013993161 /nfs/dbraw/zinc/99/31/61/1013993161.db2.gz NKWXRDMMFBSHMR-GJMOJQLCSA-N -1 0 322.352 3.709 20 0 DHADRM C[C@@H](C(=O)[O-])c1noc(-c2cc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC001609718570 970500429 /nfs/dbraw/zinc/50/04/29/970500429.db2.gz WQYGIBJMMBGILG-MRVPVSSYSA-N -1 0 317.732 3.573 20 0 DHADRM C[C@H](C(=O)[O-])c1noc(CSc2ccc3ccccc3c2)n1 ZINC001609743611 970505373 /nfs/dbraw/zinc/50/53/73/970505373.db2.gz GNJZGQIRNSUGRX-JTQLQIEISA-N -1 0 314.366 3.703 20 0 DHADRM C=CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000320276887 970643164 /nfs/dbraw/zinc/64/31/64/970643164.db2.gz MXPGSZMJSPDHBG-UHFFFAOYSA-N -1 0 311.337 3.510 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCC3(CCCC3)CC2)c1 ZINC000320970106 970732697 /nfs/dbraw/zinc/73/26/97/970732697.db2.gz XCAFNNQFEONOCN-UHFFFAOYSA-N -1 0 320.364 3.712 20 0 DHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CCCC(=O)[O-] ZINC001600013432 970749163 /nfs/dbraw/zinc/74/91/63/970749163.db2.gz JQEFHWPLJGRKPG-UHFFFAOYSA-N -1 0 307.390 3.504 20 0 DHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001604994028 972586024 /nfs/dbraw/zinc/58/60/24/972586024.db2.gz FJFAYVOFTUIWBW-JYESYGNLSA-N -1 0 319.744 3.522 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)C(F)=C2CCC2)c1Cl ZINC001605851964 972598736 /nfs/dbraw/zinc/59/87/36/972598736.db2.gz XXQAABJMFBVRQY-UHFFFAOYSA-N -1 0 301.676 3.523 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1ccc(Cl)cc1Cl ZINC001603324175 972668809 /nfs/dbraw/zinc/66/88/09/972668809.db2.gz XFIWLHKQDJGUNK-CQSZACIVSA-N -1 0 317.168 3.538 20 0 DHADRM O=c1[n-]c(F)c(Cl)c(Nc2cc(O)ccc2F)c1Cl ZINC001210798193 1014047171 /nfs/dbraw/zinc/04/71/71/1014047171.db2.gz NUHXTMZZDMHXJY-UHFFFAOYSA-N -1 0 307.083 3.821 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccccc3C2(C)C)c1 ZINC001605132630 972800530 /nfs/dbraw/zinc/80/05/30/972800530.db2.gz VLWUXAHGVRXGPW-UHFFFAOYSA-N -1 0 323.392 3.627 20 0 DHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001605151764 972838205 /nfs/dbraw/zinc/83/82/05/972838205.db2.gz YAQRBBWCYATEKL-MRXNPFEDSA-N -1 0 319.445 3.632 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001605151714 972838868 /nfs/dbraw/zinc/83/88/68/972838868.db2.gz WDHLIUHXUPVNJA-CYBMUJFWSA-N -1 0 317.429 3.618 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396333100 972855329 /nfs/dbraw/zinc/85/53/29/972855329.db2.gz ADQDTNGQICWFLM-JTQLQIEISA-N -1 0 303.383 3.751 20 0 DHADRM Cc1cc(F)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(F)c1 ZINC001605180385 972899196 /nfs/dbraw/zinc/89/91/96/972899196.db2.gz YBCDAZZXGHHOCJ-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603371968 972901597 /nfs/dbraw/zinc/90/15/97/972901597.db2.gz JWKCKDMXXLCEFG-DZTBXEGKSA-N -1 0 319.401 3.664 20 0 DHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001605187282 972904947 /nfs/dbraw/zinc/90/49/47/972904947.db2.gz SCJGECYPJAQVOL-PXAZEXFGSA-N -1 0 306.333 3.549 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC001603399997 973051861 /nfs/dbraw/zinc/05/18/61/973051861.db2.gz SRYDKPPHHNCKDM-NQBHXWOUSA-N -1 0 322.380 3.718 20 0 DHADRM Cc1ccc(N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C(C)C)cc1 ZINC001605284851 973085835 /nfs/dbraw/zinc/08/58/35/973085835.db2.gz SKRUYBHAEKHCNP-HJWRWDBZSA-N -1 0 313.353 3.741 20 0 DHADRM CCCCS(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CCC1 ZINC000048554195 1014083245 /nfs/dbraw/zinc/08/32/45/1014083245.db2.gz PSZGHDFGOODDGU-UHFFFAOYSA-N -1 0 309.431 3.503 20 0 DHADRM COc1cc(C)cc(NC(=O)c2c([O-])cc(F)cc2F)c1C ZINC000683880995 1014090860 /nfs/dbraw/zinc/09/08/60/1014090860.db2.gz QACHTMPODOREFB-UHFFFAOYSA-N -1 0 307.296 3.548 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N3CCC[C@]3(C)C(=O)[O-])c2)c1 ZINC001605318256 973147292 /nfs/dbraw/zinc/14/72/92/973147292.db2.gz BZRLXXOGZSHOHU-HXUWFJFHSA-N -1 0 323.392 3.741 20 0 DHADRM COc1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)nc1OC ZINC001210924632 1014088252 /nfs/dbraw/zinc/08/82/52/1014088252.db2.gz 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/nfs/dbraw/zinc/09/81/72/1014098172.db2.gz OAXFLJMQHSXRPA-UHFFFAOYSA-N -1 0 324.380 3.755 20 0 DHADRM Cc1cc(Br)ncc1Nc1ccccc1C(=O)[O-] ZINC001210969685 1014099060 /nfs/dbraw/zinc/09/90/60/1014099060.db2.gz OQYPTNYMQFUMLE-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM COc1c(Nc2cc(Cl)ncc2Cl)cccc1C(=O)[O-] ZINC001211032880 1014110749 /nfs/dbraw/zinc/11/07/49/1014110749.db2.gz CZPAEQCPERZFEH-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM CC[C@@H](C)Oc1cccc(NC(=O)C(CC)(CC)C(=O)[O-])c1 ZINC001603516241 973532350 /nfs/dbraw/zinc/53/23/50/973532350.db2.gz MPJXVTOGGWQYFC-GFCCVEGCSA-N -1 0 307.390 3.693 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC001603519854 973543375 /nfs/dbraw/zinc/54/33/75/973543375.db2.gz IBRDKVJPJYGGOS-GJZGRUSLSA-N -1 0 317.429 3.590 20 0 DHADRM Cc1sc(NC(=O)C2(C(=O)[O-])CCC2)nc1C1CCCCC1 ZINC001605461173 973557878 /nfs/dbraw/zinc/55/78/78/973557878.db2.gz PVISWYPIECZDFF-UHFFFAOYSA-N -1 0 322.430 3.693 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC001603527034 973572450 /nfs/dbraw/zinc/57/24/50/973572450.db2.gz QRUJFKRUWCWGIC-UHFFFAOYSA-N -1 0 324.427 3.701 20 0 DHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1C1CCCCC1)C(=O)[O-] ZINC001603534219 973585517 /nfs/dbraw/zinc/58/55/17/973585517.db2.gz UWUDXUBBINSRJL-HNNXBMFYSA-N -1 0 324.465 3.632 20 0 DHADRM CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@H](C)C(=O)[O-])cc1 ZINC001603544546 973600799 /nfs/dbraw/zinc/60/07/99/973600799.db2.gz DHLWFQWACVFCIE-NEPJUHHUSA-N -1 0 308.374 3.579 20 0 DHADRM O=C([O-])Cc1ccc(Oc2nc(Cl)nc3ccccc32)cc1 ZINC001606307777 973717996 /nfs/dbraw/zinc/71/79/96/973717996.db2.gz CLGKMWRDKYVSIP-UHFFFAOYSA-N -1 0 314.728 3.703 20 0 DHADRM CC[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC001603592725 973792869 /nfs/dbraw/zinc/79/28/69/973792869.db2.gz MPSQMTFFIYRYNH-OAHLLOKOSA-N -1 0 316.426 3.706 20 0 DHADRM CON(Cc1ccc(Cl)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001604661225 973831162 /nfs/dbraw/zinc/83/11/62/973831162.db2.gz FLSSWPOWBLVUAF-UHFFFAOYSA-N -1 0 305.761 3.602 20 0 DHADRM CCC1(CC)Oc2ccc(NC(=O)CCCCC(=O)[O-])cc2O1 ZINC001603612024 973893022 /nfs/dbraw/zinc/89/30/22/973893022.db2.gz VKQBRUMFKIPCPU-UHFFFAOYSA-N -1 0 321.373 3.558 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000414447855 973940084 /nfs/dbraw/zinc/94/00/84/973940084.db2.gz LUVHELLPNFMTNM-ZIAGYGMSSA-N -1 0 311.381 3.925 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603632626 973952326 /nfs/dbraw/zinc/95/23/26/973952326.db2.gz FAUZJEPMMACXQD-APIJFGDWSA-N -1 0 311.466 3.700 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2cc(Cl)cs2)C(=O)[O-])c1 ZINC000417559243 973960217 /nfs/dbraw/zinc/96/02/17/973960217.db2.gz HRDDCJZOFPMQTK-AWEZNQCLSA-N -1 0 309.818 3.934 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnc(C(C)(C)C)nc1 ZINC000417562923 973962425 /nfs/dbraw/zinc/96/24/25/973962425.db2.gz GHRYHZXNUSDXTN-UHFFFAOYSA-N -1 0 313.401 3.701 20 0 DHADRM COc1ccc(-c2nc(CSCCC(=O)[O-])cs2)cc1 ZINC001604751809 973964739 /nfs/dbraw/zinc/96/47/39/973964739.db2.gz SZABLAQMCTVPBE-UHFFFAOYSA-N -1 0 309.412 3.527 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC001606495357 973979990 /nfs/dbraw/zinc/97/99/90/973979990.db2.gz SQZLSASQRWFCQM-HZPDHXFCSA-N -1 0 302.370 3.644 20 0 DHADRM CCCCC1CCC(NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001603640360 973981421 /nfs/dbraw/zinc/98/14/21/973981421.db2.gz BLZVSCDDMPXXHW-UHFFFAOYSA-N -1 0 319.405 3.650 20 0 DHADRM CCCCC[C@@H](CC)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603640485 973983346 /nfs/dbraw/zinc/98/33/46/973983346.db2.gz DHPOWOFGUOXLOD-GFCCVEGCSA-N -1 0 317.389 3.578 20 0 DHADRM CCCCC[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001603640857 973985254 /nfs/dbraw/zinc/98/52/54/973985254.db2.gz HSFSLBLWEAWYSX-ZBFHGGJFSA-N -1 0 320.433 3.718 20 0 DHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000425249540 974041147 /nfs/dbraw/zinc/04/11/47/974041147.db2.gz UJSZTNJGFOIDRU-VNQPRFMTSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000478823588 974208078 /nfs/dbraw/zinc/20/80/78/974208078.db2.gz GQABCPUSZOMHRM-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM CCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478843860 974209990 /nfs/dbraw/zinc/20/99/90/974209990.db2.gz VHILPJJGMLVCEP-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccoc1C(=O)[O-] ZINC000517576277 974319325 /nfs/dbraw/zinc/31/93/25/974319325.db2.gz SWQPQPLSGQHODM-JTQLQIEISA-N -1 0 316.382 3.781 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccccc1-c1ccc(C)s1)C(=O)[O-] ZINC001603906571 974407325 /nfs/dbraw/zinc/40/73/25/974407325.db2.gz LKXROJRPRHFHTR-GFCCVEGCSA-N -1 0 318.398 3.708 20 0 DHADRM Cc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC000540774631 974407555 /nfs/dbraw/zinc/40/75/55/974407555.db2.gz PBNZTTZZNTZGJG-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)C[C@H]1C[C@H](C)c2c1cccc2C)C(=O)[O-] ZINC001603926248 974418312 /nfs/dbraw/zinc/41/83/12/974418312.db2.gz SCMJZJSHJCLSGT-NASWQRNTSA-N -1 0 317.429 3.591 20 0 DHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C)c(F)c1 ZINC001603960415 974439564 /nfs/dbraw/zinc/43/95/64/974439564.db2.gz YHCOFHBEUFVYDO-HNNXBMFYSA-N -1 0 317.316 3.535 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001603968603 974452652 /nfs/dbraw/zinc/45/26/52/974452652.db2.gz LWCBDBHVSWUTPQ-CKEIUWERSA-N -1 0 317.429 3.597 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001603969122 974454518 /nfs/dbraw/zinc/45/45/18/974454518.db2.gz YSWPVCVMGXTHSH-IUODEOHRSA-N -1 0 318.417 3.528 20 0 DHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001603974996 974462349 /nfs/dbraw/zinc/46/23/49/974462349.db2.gz WWVQRBGNAHOUTD-MRXNPFEDSA-N -1 0 312.369 3.505 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC000554005076 974481487 /nfs/dbraw/zinc/48/14/87/974481487.db2.gz BGGUFISJUHHACY-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM CCn1c2ccc(F)cc2nc1NCc1cccc(C(=O)[O-])c1 ZINC001604007826 974515456 /nfs/dbraw/zinc/51/54/56/974515456.db2.gz IZMGVSQHQCPOFU-UHFFFAOYSA-N -1 0 313.332 3.506 20 0 DHADRM CCCn1nc(C)c(CNc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000563397278 974530859 /nfs/dbraw/zinc/53/08/59/974530859.db2.gz ZJRIMUXLWDRSOF-UHFFFAOYSA-N -1 0 301.390 3.529 20 0 DHADRM CN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc2ccccc2c1 ZINC001604025082 974549162 /nfs/dbraw/zinc/54/91/62/974549162.db2.gz QHXCJLSGOBPVBL-KRWDZBQOSA-N -1 0 311.381 3.694 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000565224526 974574368 /nfs/dbraw/zinc/57/43/68/974574368.db2.gz HHKPCFKITMLEBJ-CHWSQXEVSA-N -1 0 323.458 3.865 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000565225092 974575500 /nfs/dbraw/zinc/57/55/00/974575500.db2.gz NOOSECLZLSYZCB-YOEUBCJZSA-N -1 0 323.820 3.654 20 0 DHADRM Cc1oc(CN(C)Cc2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC000568064587 974658300 /nfs/dbraw/zinc/65/83/00/974658300.db2.gz IZRROZQIUXGHFO-UHFFFAOYSA-N -1 0 311.740 3.711 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000568520625 974673202 /nfs/dbraw/zinc/67/32/02/974673202.db2.gz JGVSTUBTTIYMED-IIYDPXPESA-N -1 0 315.369 3.501 20 0 DHADRM Cc1cc(Cl)ccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000568630907 974674692 /nfs/dbraw/zinc/67/46/92/974674692.db2.gz VMTGMQCLWIASLW-SECBINFHSA-N -1 0 310.806 3.654 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3sccc3C2)cc1Cl ZINC000573855327 974772561 /nfs/dbraw/zinc/77/25/61/974772561.db2.gz AJKFQGXKEKDCMM-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM CC[C@H](C)c1ccc([C@H](NC(=O)CCC(=O)[O-])C(C)C)cc1 ZINC000574184081 974778753 /nfs/dbraw/zinc/77/87/53/974778753.db2.gz GKWISWGQIGEBMV-SCLBCKFNSA-N -1 0 305.418 3.878 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000575049078 974793630 /nfs/dbraw/zinc/79/36/30/974793630.db2.gz PERCQAZYKBCVNK-OLZOCXBDSA-N -1 0 305.349 3.679 20 0 DHADRM Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000576114528 974808095 /nfs/dbraw/zinc/80/80/95/974808095.db2.gz WUJKSJMAEBFTOF-CQSZACIVSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC000577005541 974827648 /nfs/dbraw/zinc/82/76/48/974827648.db2.gz AENAYRNLBREFKS-JTQLQIEISA-N -1 0 320.414 3.539 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000579973222 974886288 /nfs/dbraw/zinc/88/62/88/974886288.db2.gz WTQXVMBCFREIAQ-CYBMUJFWSA-N -1 0 323.392 3.716 20 0 DHADRM Cc1oc(CN(C)Cc2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000580838579 974900860 /nfs/dbraw/zinc/90/08/60/974900860.db2.gz NPXOBJWWDIGBRF-UHFFFAOYSA-N -1 0 311.740 3.711 20 0 DHADRM Cc1c(NC(=O)c2cc3cc(F)ccc3[nH]2)cccc1C(=O)[O-] ZINC000621575461 975037684 /nfs/dbraw/zinc/03/76/84/975037684.db2.gz UAYUWNBRFQRZTR-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM Cc1nc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)sc1C ZINC000580581035 1014234191 /nfs/dbraw/zinc/23/41/91/1014234191.db2.gz GYGJTSBQIOKOSV-LSDHHAIUSA-N -1 0 316.426 3.550 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000630102811 975101974 /nfs/dbraw/zinc/10/19/74/975101974.db2.gz 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ZINC000630294831 975235047 /nfs/dbraw/zinc/23/50/47/975235047.db2.gz NYCOTYDMIMBEIR-YOEHRIQHSA-N -1 0 323.392 3.666 20 0 DHADRM Cc1cc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)oc1C(=O)[O-] ZINC000630307310 975242142 /nfs/dbraw/zinc/24/21/42/975242142.db2.gz BOIPOURSFHOBHB-GFCCVEGCSA-N -1 0 313.353 3.732 20 0 DHADRM CCC(C)(C)CCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630314821 975248581 /nfs/dbraw/zinc/24/85/81/975248581.db2.gz VRUAWEVRWAQYFK-GFCCVEGCSA-N -1 0 323.458 3.808 20 0 DHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000630326663 975253555 /nfs/dbraw/zinc/25/35/55/975253555.db2.gz XMDXGBOESQKVCO-UHFFFAOYSA-N -1 0 321.376 3.575 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000630327637 975255145 /nfs/dbraw/zinc/25/51/45/975255145.db2.gz POHUENQYIXQHTA-LSDHHAIUSA-N -1 0 315.394 3.508 20 0 DHADRM CCCc1cc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)sc1C ZINC000630333158 975261492 /nfs/dbraw/zinc/26/14/92/975261492.db2.gz OFQLVFOWKOCOEP-UHFFFAOYSA-N -1 0 321.398 3.539 20 0 DHADRM 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ZINC000659135973 975737018 /nfs/dbraw/zinc/73/70/18/975737018.db2.gz ARSLMAVWJDXDMB-ZDUSSCGKSA-N -1 0 315.413 3.958 20 0 DHADRM CCC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659145435 975745657 /nfs/dbraw/zinc/74/56/57/975745657.db2.gz KZLRMZBONRTENY-VHDGCEQUSA-N -1 0 323.820 3.593 20 0 DHADRM COc1cc(NC(=O)C2CC3(C2)CCCCC3)ccc1C(=O)[O-] ZINC000659152681 975753062 /nfs/dbraw/zinc/75/30/62/975753062.db2.gz CWMILYBWDNSCJK-UHFFFAOYSA-N -1 0 317.385 3.692 20 0 DHADRM CCC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000659156153 975755595 /nfs/dbraw/zinc/75/55/95/975755595.db2.gz GOGXPPCJZUQXPZ-CABCVRRESA-N -1 0 323.820 3.689 20 0 DHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)CC1CCCC1)CCC2 ZINC000659184509 975781163 /nfs/dbraw/zinc/78/11/63/975781163.db2.gz MLRFWXTWTVAATE-MRXNPFEDSA-N -1 0 315.413 3.501 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)C(C)C ZINC000659190999 975788617 /nfs/dbraw/zinc/78/86/17/975788617.db2.gz LDFGOVHVMCRRCP-XUWVNRHRSA-N -1 0 309.450 3.551 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCCCCC2)[C@@H]2CCCC[C@H]12 ZINC000659191140 975788663 /nfs/dbraw/zinc/78/86/63/975788663.db2.gz CRTHPZSQJLPUCR-BRWVUGGUSA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C1CC1 ZINC001591762621 975861403 /nfs/dbraw/zinc/86/14/03/975861403.db2.gz YGZGGRRHPUFMDE-UHFFFAOYSA-N -1 0 319.401 3.937 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1nc(-c2ccccc2)cs1)C1CCC1 ZINC000659794984 975884598 /nfs/dbraw/zinc/88/45/98/975884598.db2.gz BZCSIPKJRFRWQJ-GFCCVEGCSA-N -1 0 316.426 3.638 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@H]1CC1(Cl)Cl ZINC001591771802 975899445 /nfs/dbraw/zinc/89/94/45/975899445.db2.gz IMYMIHCUFZVIMH-SNVBAGLBSA-N -1 0 318.200 3.778 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ncccc1Cl ZINC001591772971 975909522 /nfs/dbraw/zinc/90/95/22/975909522.db2.gz QEXHGNRTLUNCTF-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000663054502 975921985 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PYVCVBXDTYGHRB-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191444803 1014340442 /nfs/dbraw/zinc/34/04/42/1014340442.db2.gz KKQBOLWCMLHSOK-CYBMUJFWSA-N -1 0 323.458 3.668 20 0 DHADRM CC(C)c1cccnc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592005008 976670991 /nfs/dbraw/zinc/67/09/91/976670991.db2.gz ZXKBDTKSTSUDPE-UHFFFAOYSA-N -1 0 304.390 3.569 20 0 DHADRM CC(C)c1occc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592102167 976867677 /nfs/dbraw/zinc/86/76/77/976867677.db2.gz DOVKEBFCDSNSQU-CQSZACIVSA-N -1 0 306.289 3.525 20 0 DHADRM CC(C)c1sc(NC(=O)C(C)(C)C2CCC2)nc1C(=O)[O-] ZINC001592108707 976895393 /nfs/dbraw/zinc/89/53/93/976895393.db2.gz UPZFIASZDFZRER-UHFFFAOYSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592116831 976915867 /nfs/dbraw/zinc/91/58/67/976915867.db2.gz GHHLYCSWSZFROA-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM Oc1cc(F)c(-c2ccc3c(c2)C2(CN3)CCOCC2)cc1F ZINC001211339381 1014358268 /nfs/dbraw/zinc/35/82/68/1014358268.db2.gz NZBFZAJDTWADMP-UHFFFAOYSA-N -1 0 317.335 3.811 20 0 DHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1 ZINC000317455899 1014393143 /nfs/dbraw/zinc/39/31/43/1014393143.db2.gz WSOZTIQNUHSCDN-UHFFFAOYSA-N -1 0 321.446 3.532 20 0 DHADRM C[C@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C ZINC001592240081 977452253 /nfs/dbraw/zinc/45/22/53/977452253.db2.gz LJDWGUIZJBPXDV-HBUWYVDXSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C ZINC001592247058 977477594 /nfs/dbraw/zinc/47/75/94/977477594.db2.gz ZCMOSECBEGOUAO-SCLBCKFNSA-N -1 0 311.466 3.989 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001592262096 977505989 /nfs/dbraw/zinc/50/59/89/977505989.db2.gz OHYUTAVICQOULM-JTQLQIEISA-N -1 0 318.760 3.566 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC001592382056 977922974 /nfs/dbraw/zinc/92/29/74/977922974.db2.gz WAURUYGSKNCZOU-AUUYWEPGSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1c(Cl)ccc2ccccc21 ZINC001592403102 977972347 /nfs/dbraw/zinc/97/23/47/977972347.db2.gz UHSJISHICOQCIS-SNVBAGLBSA-N -1 0 306.745 3.900 20 0 DHADRM C[C@H](CC(=O)[O-])Sc1ccc(-c2ccc(Cl)s2)nn1 ZINC001592422728 978038535 /nfs/dbraw/zinc/03/85/35/978038535.db2.gz XNUGURZCAOWLGF-SSDOTTSWSA-N -1 0 314.819 3.814 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1coc(-c2c(F)cccc2F)n1 ZINC001592422724 978038691 /nfs/dbraw/zinc/03/86/91/978038691.db2.gz XMFGQRGYBFAKAO-MRVPVSSYSA-N -1 0 313.325 3.716 20 0 DHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC001592423819 978041661 /nfs/dbraw/zinc/04/16/61/978041661.db2.gz HRQXEDUMZGIIAG-ZUZCIYMTSA-N -1 0 322.744 3.796 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001592429610 978056789 /nfs/dbraw/zinc/05/67/89/978056789.db2.gz OCAVYCRRLQNXCP-MNOVXSKESA-N -1 0 320.316 3.915 20 0 DHADRM C[C@@H](CC(=O)[O-])OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001592433084 978064670 /nfs/dbraw/zinc/06/46/70/978064670.db2.gz BOCPTFUZGVYBOZ-UWVGGRQHSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(Cl)cc1C(=O)[O-])C(F)(F)F ZINC001592434423 978075044 /nfs/dbraw/zinc/07/50/44/978075044.db2.gz ZVDHSFAHLBEHPV-LURJTMIESA-N -1 0 310.655 3.532 20 0 DHADRM CC(C)(CC(=O)N1CCc2c1cccc2-c1ccccc1)C(=O)[O-] ZINC000580933443 1014458972 /nfs/dbraw/zinc/45/89/72/1014458972.db2.gz KETJCBSVRFGANQ-UHFFFAOYSA-N -1 0 323.392 3.744 20 0 DHADRM C[C@H](CC1CCC1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592459687 978179658 /nfs/dbraw/zinc/17/96/58/978179658.db2.gz OTIRRKDXBKCPMM-SNVBAGLBSA-N -1 0 315.373 3.566 20 0 DHADRM C[C@@H](CCC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001592470127 978217754 /nfs/dbraw/zinc/21/77/54/978217754.db2.gz DFGOSTZFGWUWTI-HNNXBMFYSA-N -1 0 317.429 3.816 20 0 DHADRM C[C@H](CCC(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001592470869 978225924 /nfs/dbraw/zinc/22/59/24/978225924.db2.gz QYZQOTPDXNYQJC-CQSZACIVSA-N -1 0 312.365 3.803 20 0 DHADRM Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c2ccc(F)c(F)c2n1 ZINC000580940989 1014469980 /nfs/dbraw/zinc/46/99/80/1014469980.db2.gz GZKHEPJHYPLFGF-NSHDSACASA-N -1 0 320.339 3.513 20 0 DHADRM C[C@H](CCCC(F)(F)F)OC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592484689 978258561 /nfs/dbraw/zinc/25/85/61/978258561.db2.gz DTJRENRQAVOGOG-XRVBUDJMSA-N -1 0 320.263 3.655 20 0 DHADRM CCC/C=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736973285 978370445 /nfs/dbraw/zinc/37/04/45/978370445.db2.gz IKVYSGWJLSJHRQ-XITLMJRVSA-N -1 0 317.429 3.972 20 0 DHADRM C[C@@H](CN(C(=O)CC(C)(C)C1CCCCC1)C1CC1)C(=O)[O-] ZINC001592557789 978448086 /nfs/dbraw/zinc/44/80/86/978448086.db2.gz QHAGLWGRJSZZBQ-ZDUSSCGKSA-N -1 0 309.450 3.695 20 0 DHADRM COc1ccc(NC(=S)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000738039203 978469195 /nfs/dbraw/zinc/46/91/95/978469195.db2.gz LDWNILVDJKAXQQ-UHFFFAOYSA-N -1 0 322.411 3.572 20 0 DHADRM C[C@@H](CN(Cc1cc(Cl)sc1Cl)C1CC1)C(=O)[O-] ZINC001592598433 978531273 /nfs/dbraw/zinc/53/12/73/978531273.db2.gz FFDUEDUMKAFKGQ-ZETCQYMHSA-N -1 0 308.230 3.740 20 0 DHADRM Cc1cc(NC(=S)Nc2cccc(C)c2)sc1C(=O)[O-] ZINC000738736741 978599057 /nfs/dbraw/zinc/59/90/57/978599057.db2.gz UWPNEXCRUNZMEP-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000684133968 1014509069 /nfs/dbraw/zinc/50/90/69/1014509069.db2.gz YIWPTVWODZNYHY-JKSUJKDBSA-N -1 0 315.413 3.980 20 0 DHADRM Cc1ccc2sc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)cc2c1 ZINC000909456004 1014509656 /nfs/dbraw/zinc/50/96/56/1014509656.db2.gz MGSVVIHUIVMLJJ-LLVKDONJSA-N -1 0 317.410 3.535 20 0 DHADRM COCc1cc(NC(=O)C[C@H]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000427667536 1014509982 /nfs/dbraw/zinc/50/99/82/1014509982.db2.gz CMETXRZRBAVFQB-OLZOCXBDSA-N -1 0 319.401 3.686 20 0 DHADRM O=C([O-])c1ccc2nc(S[C@H]3CCCCCC3=O)oc2c1 ZINC000740203421 978672815 /nfs/dbraw/zinc/67/28/15/978672815.db2.gz PVUFVTSRQKZRSJ-ZDUSSCGKSA-N -1 0 305.355 3.520 20 0 DHADRM CCCC[C@H](NC(=O)/C=C(/CC)c1ccc(C)cc1)C(=O)[O-] ZINC000753907055 978694274 /nfs/dbraw/zinc/69/42/74/978694274.db2.gz MYFBKIXOSDVWHW-HECSCLNYSA-N -1 0 303.402 3.548 20 0 DHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCCC(=O)[O-] ZINC000753968427 978695524 /nfs/dbraw/zinc/69/55/24/978695524.db2.gz SGUPVMSEMZSZEX-OAHLLOKOSA-N -1 0 321.417 3.544 20 0 DHADRM Cc1ccoc1CN[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000756346206 978698499 /nfs/dbraw/zinc/69/84/99/978698499.db2.gz BEUAZQAALRGDON-ZDUSSCGKSA-N -1 0 313.275 3.522 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccccc1Cl ZINC000761649020 978713490 /nfs/dbraw/zinc/71/34/90/978713490.db2.gz IPYYIIZJCCYRNY-SOGBHIHOSA-N -1 0 309.793 3.503 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000761653241 978713601 /nfs/dbraw/zinc/71/36/01/978713601.db2.gz WLBRHSYPZZLOKU-LIXSYLKWSA-N -1 0 317.429 3.973 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c1ccc(Cl)cc1 ZINC000761649892 978713622 /nfs/dbraw/zinc/71/36/22/978713622.db2.gz JOEPDMAZRHHUKO-SOGBHIHOSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000761665894 978714035 /nfs/dbraw/zinc/71/40/35/978714035.db2.gz UXTFVCQHAJZQEU-UHFFFAOYSA-N -1 0 315.344 3.630 20 0 DHADRM CCC(CC)(CNC(=O)/C(C)=C/c1ccccc1Cl)C(=O)[O-] ZINC000761924263 978716526 /nfs/dbraw/zinc/71/65/26/978716526.db2.gz SBYVZLOKXYVDBF-ZRDIBKRKSA-N -1 0 323.820 3.751 20 0 DHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)C=C1CCCCC1 ZINC000766927342 978729400 /nfs/dbraw/zinc/72/94/00/978729400.db2.gz KYPCZRCKTHLWDB-UHFFFAOYSA-N -1 0 321.804 3.644 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000774043392 978745411 /nfs/dbraw/zinc/74/54/11/978745411.db2.gz GDMNKTSGUFGGGP-SFHVURJKSA-N -1 0 315.344 3.579 20 0 DHADRM CCCCC[C@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000777377743 978777882 /nfs/dbraw/zinc/77/78/82/978777882.db2.gz BJVOOVIELPWRDN-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000799244011 978837768 /nfs/dbraw/zinc/83/77/68/978837768.db2.gz ZVXNJHDBRVWSEU-OAHLLOKOSA-N -1 0 317.772 3.546 20 0 DHADRM C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811811972 978855931 /nfs/dbraw/zinc/85/59/31/978855931.db2.gz KTDRTIGHDPIMFF-JTQLQIEISA-N -1 0 315.756 3.630 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2cccc(Cl)c2o1)C(=O)[O-] ZINC000818326329 978919267 /nfs/dbraw/zinc/91/92/67/978919267.db2.gz WHNFPVSBAPHIIN-UHFFFAOYSA-N -1 0 323.776 3.707 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000823338187 978930186 /nfs/dbraw/zinc/93/01/86/978930186.db2.gz BLKZOFVGNPGMBW-UTSMFGRCSA-N -1 0 315.413 3.679 20 0 DHADRM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(C(=O)[O-])ccc3Cl)C2)C1 ZINC000828248960 978976768 /nfs/dbraw/zinc/97/67/68/978976768.db2.gz UDODGBUWKOICLN-DIFFPNOSSA-N -1 0 321.804 3.691 20 0 DHADRM CC[C@H](OC(=O)CCCN(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000829004314 978991170 /nfs/dbraw/zinc/99/11/70/978991170.db2.gz FIRRJBFSVGJXBK-ZDUSSCGKSA-N -1 0 313.781 3.724 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595036222 979191622 /nfs/dbraw/zinc/19/16/22/979191622.db2.gz PNCZQSIBXSKHTR-KSSFIOAISA-N -1 0 305.418 3.565 20 0 DHADRM CC[C@H](CC(C)C)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595036453 979196259 /nfs/dbraw/zinc/19/62/59/979196259.db2.gz TUPIKGMPARHWKI-GFCCVEGCSA-N -1 0 310.415 3.841 20 0 DHADRM CC[C@H](CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001595036817 979200170 /nfs/dbraw/zinc/20/01/70/979200170.db2.gz ZCNPCNQXXXSYQN-LVQVYYBASA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](CC(=O)OC1CC(CC(=O)[O-])C1)c1ccc(C)cc1 ZINC001595037078 979202778 /nfs/dbraw/zinc/20/27/78/979202778.db2.gz OISCSVWDKMQNLA-BBBYJDLNSA-N -1 0 304.386 3.675 20 0 DHADRM CC[C@H](CC(F)F)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001595042924 979240728 /nfs/dbraw/zinc/24/07/28/979240728.db2.gz YEYLTZDNGXKSPO-PRHODGIISA-N -1 0 320.719 3.690 20 0 DHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1cc2ccccc2o1 ZINC001595048839 979269844 /nfs/dbraw/zinc/26/98/44/979269844.db2.gz PEYQYPNLCDIWRR-UHFFFAOYSA-N -1 0 304.342 3.757 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000840942832 979279903 /nfs/dbraw/zinc/27/99/03/979279903.db2.gz HBYVODBMAXINSO-LLVKDONJSA-N -1 0 303.383 3.554 20 0 DHADRM COc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1OC(C)C ZINC000840995041 979294883 /nfs/dbraw/zinc/29/48/83/979294883.db2.gz LCMYTLZPNLLWNL-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM COc1ccc(NC2CCC(C(=O)[O-])CC2)cc1OC(C)C ZINC000840995051 979295178 /nfs/dbraw/zinc/29/51/78/979295178.db2.gz PBTFPUJNZRKEND-UHFFFAOYSA-N -1 0 307.390 3.538 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595057667 979300945 /nfs/dbraw/zinc/30/09/45/979300945.db2.gz BJFCZWIWQYLXPM-GOEBONIOSA-N -1 0 319.445 3.651 20 0 DHADRM CCC(CC)(CNC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC001595076445 979349890 /nfs/dbraw/zinc/34/98/90/979349890.db2.gz ORUIUKCPVGIRJJ-UHFFFAOYSA-N -1 0 319.426 3.831 20 0 DHADRM O=C([O-])C[C@H](NC(=O)/C=C\C1CCCCCC1)c1cccs1 ZINC000846113439 979403647 /nfs/dbraw/zinc/40/36/47/979403647.db2.gz KSYMEJUOFVRWRU-CMUBDUJZSA-N -1 0 321.442 3.907 20 0 DHADRM O=C([O-])COc1cccc(NC(=O)/C=C/C2CCCCCC2)c1 ZINC000846113833 979403906 /nfs/dbraw/zinc/40/39/06/979403906.db2.gz ADVRXJXNCPGHDF-ZHACJKMWSA-N -1 0 317.385 3.615 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595105468 979423100 /nfs/dbraw/zinc/42/31/00/979423100.db2.gz AIHSGCVRSQFURG-CHWSQXEVSA-N -1 0 305.418 3.961 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595105603 979424103 /nfs/dbraw/zinc/42/41/03/979424103.db2.gz CGNHDYPDSSWMPC-SECBINFHSA-N -1 0 312.435 3.516 20 0 DHADRM CCC(CC)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595105920 979426708 /nfs/dbraw/zinc/42/67/08/979426708.db2.gz UGKFFXWSZHQBNE-GFCCVEGCSA-N -1 0 318.291 3.968 20 0 DHADRM C/C(=C\CN1CCc2c(Cl)cc(Cl)cc2[C@H]1C)C(=O)[O-] ZINC000846258498 979428921 /nfs/dbraw/zinc/42/89/21/979428921.db2.gz YLOQUXDBLJKHGD-OTVCUZDGSA-N -1 0 314.212 3.943 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1C(C)=O ZINC001595107096 979438403 /nfs/dbraw/zinc/43/84/03/979438403.db2.gz ZBRULFJCNSBSQZ-JTQLQIEISA-N -1 0 306.358 3.565 20 0 DHADRM CCC(CC)N(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595114330 979462665 /nfs/dbraw/zinc/46/26/65/979462665.db2.gz DGNSFZDACMMMIJ-UHFFFAOYSA-N -1 0 314.332 3.705 20 0 DHADRM CCC(CC)N(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595114474 979465152 /nfs/dbraw/zinc/46/51/52/979465152.db2.gz PIIVGFORBQIJIK-UHFFFAOYSA-N -1 0 310.369 3.875 20 0 DHADRM CCC(CC)c1nnc(NCc2cc(C)c(C(=O)[O-])o2)s1 ZINC001595122162 979502409 /nfs/dbraw/zinc/50/24/09/979502409.db2.gz RUGVEPKYVYWXOK-UHFFFAOYSA-N -1 0 309.391 3.653 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001595125727 979510222 /nfs/dbraw/zinc/51/02/22/979510222.db2.gz HFMFCCJVTKBMFM-DZGCQCFKSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595126681 979520744 /nfs/dbraw/zinc/52/07/44/979520744.db2.gz YKAICSGXRCOIOU-OAHLLOKOSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 ZINC000851606414 979531075 /nfs/dbraw/zinc/53/10/75/979531075.db2.gz OWIBMZFADFJKSV-DFBGVHRSSA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@@H](CN1C[C@@H](C(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001595130264 979540969 /nfs/dbraw/zinc/54/09/69/979540969.db2.gz WFSSYLPNAHEZNX-YJBOKZPZSA-N -1 0 309.409 3.944 20 0 DHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595153353 979653003 /nfs/dbraw/zinc/65/30/03/979653003.db2.gz WSMOTJMULWUJTM-ZDUSSCGKSA-N -1 0 312.369 3.700 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001592858095 979668648 /nfs/dbraw/zinc/66/86/48/979668648.db2.gz OGZQJFNYECETDM-DSJMHWKBSA-N -1 0 317.429 3.961 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000864102834 979687756 /nfs/dbraw/zinc/68/77/56/979687756.db2.gz ASALXCROWPHTQO-FDMDGMSGSA-N -1 0 317.385 3.562 20 0 DHADRM Cc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)oc1C(=O)[O-] ZINC000864105504 979691988 /nfs/dbraw/zinc/69/19/88/979691988.db2.gz CZDPJLWGFAEYBM-UHFFFAOYSA-N -1 0 315.369 3.860 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000864113246 979705074 /nfs/dbraw/zinc/70/50/74/979705074.db2.gz NRVYIZRSCSBOQT-YOEHRIQHSA-N -1 0 323.392 3.711 20 0 DHADRM CC(C)C(NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC001592868078 979717674 /nfs/dbraw/zinc/71/76/74/979717674.db2.gz UYEFKMXNDHSDBO-CYBMUJFWSA-N -1 0 320.433 3.752 20 0 DHADRM CC[C@H](CNc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001595172436 979742059 /nfs/dbraw/zinc/74/20/59/979742059.db2.gz DQRWTBVFOYZMNC-CYBMUJFWSA-N -1 0 321.380 3.820 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@@H]2CC2CCC2)c1 ZINC000864154920 979766700 /nfs/dbraw/zinc/76/67/00/979766700.db2.gz FXXIPKTYNIMOKO-MVGZEHJDSA-N -1 0 317.385 3.562 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC001592885955 979772425 /nfs/dbraw/zinc/77/24/25/979772425.db2.gz UXNKJQBKDLPNRP-WDEREUQCSA-N -1 0 320.316 3.600 20 0 DHADRM C/C(Cl)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001592918265 979903313 /nfs/dbraw/zinc/90/33/13/979903313.db2.gz HGQHDNQWWIBWPX-RBJHHQRMSA-N -1 0 323.820 3.759 20 0 DHADRM CC1=CC[C@](C)(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000864226434 979912795 /nfs/dbraw/zinc/91/27/95/979912795.db2.gz FBJDULHPHCGHDT-LIRRHRJNSA-N -1 0 313.397 3.728 20 0 DHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228964 979922335 /nfs/dbraw/zinc/92/23/35/979922335.db2.gz HGYKUKJUTZXHHX-KRWDZBQOSA-N -1 0 311.381 3.503 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2cnc(Cl)c(F)c2)cc1 ZINC000864524194 979942817 /nfs/dbraw/zinc/94/28/17/979942817.db2.gz YMUNYNYNPXJAGE-QWHCGFSZSA-N -1 0 320.751 3.674 20 0 DHADRM CC(F)(F)CC[NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001592939541 980007872 /nfs/dbraw/zinc/00/78/72/980007872.db2.gz HPUOXQKSJNSNTK-UHFFFAOYSA-N -1 0 309.312 3.780 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001592943937 980017513 /nfs/dbraw/zinc/01/75/13/980017513.db2.gz PVEUPHHPVOGCQF-UHFFFAOYSA-N -1 0 323.270 3.888 20 0 DHADRM CCC(F)(F)C(C)(C)COC(=O)c1ccc(C(=O)[O-])s1 ZINC001595221242 980051250 /nfs/dbraw/zinc/05/12/50/980051250.db2.gz AMBCNTUBHNPDBQ-UHFFFAOYSA-N -1 0 306.330 3.675 20 0 DHADRM CCC(F)(F)c1ccccc1NC[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595226675 980077841 /nfs/dbraw/zinc/07/78/41/980077841.db2.gz VJRUKODLIHDJOK-GXSJLCMTSA-N -1 0 305.271 3.566 20 0 DHADRM CC[C@](NC(=O)C1=CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595237017 980140645 /nfs/dbraw/zinc/14/06/45/980140645.db2.gz UBGGSDTZHTZHNN-LJQANCHMSA-N -1 0 315.413 3.629 20 0 DHADRM CC[C@](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595236883 980140847 /nfs/dbraw/zinc/14/08/47/980140847.db2.gz RFWPDOVOTLIVAO-MMMWYMCRSA-N -1 0 317.429 3.565 20 0 DHADRM CC[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)C1CCCCC1 ZINC001595251303 980210849 /nfs/dbraw/zinc/21/08/49/980210849.db2.gz YXLCSMNMGCLGKV-HNNXBMFYSA-N -1 0 324.465 3.680 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)C1CCCCC1 ZINC001595256638 980238790 /nfs/dbraw/zinc/23/87/90/980238790.db2.gz FCNIGHZXQVWWLD-CQSZACIVSA-N -1 0 319.405 3.569 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1csc(C)c1 ZINC001595269010 980282344 /nfs/dbraw/zinc/28/23/44/980282344.db2.gz DUZFQYXCTJSNCA-SCXUMTSISA-N -1 0 319.382 3.628 20 0 DHADRM CC[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001595271991 980289735 /nfs/dbraw/zinc/28/97/35/980289735.db2.gz FXWURAJZJPAUCH-OAHLLOKOSA-N -1 0 319.307 3.544 20 0 DHADRM CC[C@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1OC ZINC001595278427 980310632 /nfs/dbraw/zinc/31/06/32/980310632.db2.gz DWUYHICXGCPYGD-RISCZKNCSA-N -1 0 303.358 3.788 20 0 DHADRM CSc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)o1 ZINC000901533702 980362476 /nfs/dbraw/zinc/36/24/76/980362476.db2.gz FMMPVRAVFLXKKT-OAHLLOKOSA-N -1 0 305.399 3.534 20 0 DHADRM C[C@H](Cc1ccc(N[C@H]2CCCC23CCOCC3)cc1)C(=O)[O-] ZINC000901731222 980470047 /nfs/dbraw/zinc/47/00/47/980470047.db2.gz FJJXLNMTEAIABS-PBHICJAKSA-N -1 0 317.429 3.711 20 0 DHADRM CC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1cc(F)ccc1F ZINC001595316158 980481116 /nfs/dbraw/zinc/48/11/16/980481116.db2.gz ABNQKCGBCBCNEG-AWEZNQCLSA-N -1 0 306.312 3.930 20 0 DHADRM CC[C@@H](Nc1cccc2cc(C(=O)[O-])sc21)[C@H]1CCOC1 ZINC001595317803 980496519 /nfs/dbraw/zinc/49/65/19/980496519.db2.gz AWKBCNAJXIVFKZ-NWDGAFQWSA-N -1 0 305.399 3.827 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H]2CCc3cccnc3CC2)c1 ZINC000901817452 980537546 /nfs/dbraw/zinc/53/75/46/980537546.db2.gz ZRHMJSWMRCSVPY-CJNGLKHVSA-N -1 0 310.397 3.629 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@@H]2CCOc3ccccc32)c1 ZINC000901818525 980538350 /nfs/dbraw/zinc/53/83/50/980538350.db2.gz XXSVLWMFOPPLJS-HIFRSBDPSA-N -1 0 311.381 3.853 20 0 DHADRM CC[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001595332081 980578005 /nfs/dbraw/zinc/57/80/05/980578005.db2.gz RCTGVGDXPATNJX-QPUJVOFHSA-N -1 0 302.729 3.584 20 0 DHADRM CC[C@H](OC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001595349146 980651848 /nfs/dbraw/zinc/65/18/48/980651848.db2.gz RFJRXTMLWMHMFL-VIFPVBQESA-N -1 0 323.197 3.735 20 0 DHADRM CC[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC001595349414 980654701 /nfs/dbraw/zinc/65/47/01/980654701.db2.gz YPIBDBRVDLZDIE-OAHLLOKOSA-N -1 0 320.291 3.652 20 0 DHADRM C[C@H]1CCN(Cc2cnc(-c3cccs3)s2)[C@@H](C(=O)[O-])C1 ZINC000902011292 980689822 /nfs/dbraw/zinc/68/98/22/980689822.db2.gz ILTDCJFSHCLOOW-CMPLNLGQSA-N -1 0 322.455 3.557 20 0 DHADRM C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018044 980695208 /nfs/dbraw/zinc/69/52/08/980695208.db2.gz SFDHQCBARNUKII-CJNGLKHVSA-N -1 0 315.369 3.757 20 0 DHADRM C[C@H](Nc1cccc(COCc2ccco2)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902119143 980744224 /nfs/dbraw/zinc/74/42/24/980744224.db2.gz QZKLMUBYONFVCH-JCURWCKSSA-N -1 0 315.369 3.518 20 0 DHADRM CC[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1C(=O)[O-] ZINC001595359730 980744520 /nfs/dbraw/zinc/74/45/20/980744520.db2.gz ITWFMEVNWOJBHV-ZHRRBRCNSA-N -1 0 320.385 3.924 20 0 DHADRM C[C@H]1[C@H](Nc2ccc(-c3csnn3)cc2)CC[C@H]1CC(=O)[O-] ZINC000902123738 980745618 /nfs/dbraw/zinc/74/56/18/980745618.db2.gz MMVSBKGQFCLIMD-SCDSUCTJSA-N -1 0 317.414 3.506 20 0 DHADRM O=C([O-])c1ccccc1-c1ccc(CN2CCCC(F)(F)C2)o1 ZINC000902124538 980746286 /nfs/dbraw/zinc/74/62/86/980746286.db2.gz FYNXTCTWBCNPDD-UHFFFAOYSA-N -1 0 321.323 3.876 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC12CCCC2 ZINC001595361605 980763678 /nfs/dbraw/zinc/76/36/78/980763678.db2.gz KFXPSXDYDCTNFW-HZPDHXFCSA-N -1 0 315.413 3.631 20 0 DHADRM Cc1nc(-c2ccc(NCCC(C)(C)C(=O)[O-])cc2)oc1C ZINC000902165861 980763868 /nfs/dbraw/zinc/76/38/68/980763868.db2.gz SWKMXQOPGDMBOD-UHFFFAOYSA-N -1 0 302.374 3.871 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001595361939 980766842 /nfs/dbraw/zinc/76/68/42/980766842.db2.gz RWBBLEIBCANPBB-OAGGEKHMSA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@H](c1ccncc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC001595363470 980782388 /nfs/dbraw/zinc/78/23/88/980782388.db2.gz CVJGLBAQEPOXAY-MRXNPFEDSA-N -1 0 302.349 3.502 20 0 DHADRM Cc1ccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902239840 980796005 /nfs/dbraw/zinc/79/60/05/980796005.db2.gz QNDGLEJTSGRUCG-MRVWCRGKSA-N -1 0 318.417 3.501 20 0 DHADRM O=C([O-])/C=C/c1ccc(C[NH+]2CCC(c3ccsc3)CC2)o1 ZINC000902325566 980833558 /nfs/dbraw/zinc/83/35/58/980833558.db2.gz LOFZCNIETAALLZ-ONEGZZNKSA-N -1 0 317.410 3.819 20 0 DHADRM CSc1ccccc1CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000902327853 980834880 /nfs/dbraw/zinc/83/48/80/980834880.db2.gz XQEAPJLSDDLSLK-UHFFFAOYSA-N -1 0 305.399 3.640 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000902339716 980839188 /nfs/dbraw/zinc/83/91/88/980839188.db2.gz CRDXRSJLADYLQO-AWEZNQCLSA-N -1 0 323.295 3.685 20 0 DHADRM CCC1(CC)[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@@H]1OC ZINC001595373175 980870091 /nfs/dbraw/zinc/87/00/91/980870091.db2.gz DRPBESYGKVXYNO-HZMVEIRTSA-N -1 0 317.429 3.880 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000902424290 980880573 /nfs/dbraw/zinc/88/05/73/980880573.db2.gz UUGQZPSHXSTLDP-SUHUHFCYSA-N -1 0 307.356 3.731 20 0 DHADRM C[C@H](Nc1cccc(Cl)c1OCC(F)F)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902436281 980885304 /nfs/dbraw/zinc/88/53/04/980885304.db2.gz PTEMCYMKGRYHFT-YIZRAAEISA-N -1 0 319.735 3.505 20 0 DHADRM CCC1(CC)CN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001595375386 980895505 /nfs/dbraw/zinc/89/55/05/980895505.db2.gz IGBFGNCGXGOIJE-LSDHHAIUSA-N -1 0 316.401 3.529 20 0 DHADRM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)CCCC(=O)[O-] ZINC000902839080 980945086 /nfs/dbraw/zinc/94/50/86/980945086.db2.gz MQFNDFXBYXABAI-AWEZNQCLSA-N -1 0 323.820 3.689 20 0 DHADRM O=C([O-])c1c(Cl)ccc(Nc2nc(F)c(F)cc2F)c1F ZINC001215694964 1014695103 /nfs/dbraw/zinc/69/51/03/1014695103.db2.gz TXMOZVAMNROHTB-UHFFFAOYSA-N -1 0 320.629 3.733 20 0 DHADRM O=C([O-])c1c(Cl)ccc(Nc2cccc(Cl)n2)c1F ZINC001215694840 1014696510 /nfs/dbraw/zinc/69/65/10/1014696510.db2.gz MVBBLQWHIKZYLJ-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM CCC1CCC(NC(=O)CCCc2ccsc2)(C(=O)[O-])CC1 ZINC001595420874 981039013 /nfs/dbraw/zinc/03/90/13/981039013.db2.gz NZMYNWRIEKHVGF-UHFFFAOYSA-N -1 0 323.458 3.611 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595435228 981063856 /nfs/dbraw/zinc/06/38/56/981063856.db2.gz IEHDIFNGMARTHO-PSASIEDQSA-N -1 0 311.765 3.509 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595435353 981064398 /nfs/dbraw/zinc/06/43/98/981064398.db2.gz JBOBGEACYQSTDQ-QAPCUYQASA-N -1 0 303.402 3.560 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595435510 981065089 /nfs/dbraw/zinc/06/50/89/981065089.db2.gz KQHPBAWZXLGKQY-UONOGXRCSA-N -1 0 315.413 3.799 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595439054 981073510 /nfs/dbraw/zinc/07/35/10/981073510.db2.gz BOIHDCHIAVFGSA-VHSXEESVSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595440163 981075966 /nfs/dbraw/zinc/07/59/66/981075966.db2.gz HOJHKCUUBZAQEQ-HIFRSBDPSA-N -1 0 303.402 3.639 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595440411 981077274 /nfs/dbraw/zinc/07/72/74/981077274.db2.gz JPKKVRBUHUHDSM-OLZOCXBDSA-N -1 0 319.401 3.573 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595441054 981078483 /nfs/dbraw/zinc/07/84/83/981078483.db2.gz MTPLGDSFGDPTCN-JQWIXIFHSA-N -1 0 322.430 3.553 20 0 DHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595441626 981080528 /nfs/dbraw/zinc/08/05/28/981080528.db2.gz SSAKVWGVMHVCKX-WDEREUQCSA-N -1 0 310.419 3.784 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595441951 981081530 /nfs/dbraw/zinc/08/15/30/981081530.db2.gz WMRUNBBMDHHWDV-GKVPXEHWSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595441980 981081638 /nfs/dbraw/zinc/08/16/38/981081638.db2.gz XDLRBDSGLYWYAM-JSGCOSHPSA-N -1 0 304.390 3.723 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595444472 981088440 /nfs/dbraw/zinc/08/84/40/981088440.db2.gz PMOZXOXYGMBUHV-NHYWBVRUSA-N -1 0 322.380 3.956 20 0 DHADRM Cc1cc(C)cc([C@@H](NCc2ncc(C(C)(C)C)o2)C(=O)[O-])c1 ZINC000905392529 981112575 /nfs/dbraw/zinc/11/25/75/981112575.db2.gz UHGIHTZEFMUNAP-MRXNPFEDSA-N -1 0 316.401 3.504 20 0 DHADRM CC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595458149 981130636 /nfs/dbraw/zinc/13/06/36/981130636.db2.gz BAUFVIQHABLSPD-LBPRGKRZSA-N -1 0 312.369 3.944 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C(=O)[O-])oc1C ZINC001595467026 981154063 /nfs/dbraw/zinc/15/40/63/981154063.db2.gz CCZLCJXKNKZXDR-CYBMUJFWSA-N -1 0 313.353 3.658 20 0 DHADRM Cc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C ZINC000907556132 981187995 /nfs/dbraw/zinc/18/79/95/981187995.db2.gz YQBUZVBACUDUSG-KXBFYZLASA-N -1 0 309.365 3.500 20 0 DHADRM Cc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C ZINC000907556126 981188076 /nfs/dbraw/zinc/18/80/76/981188076.db2.gz YQBUZVBACUDUSG-BEFAXECRSA-N -1 0 309.365 3.500 20 0 DHADRM Cc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C ZINC000907556130 981188257 /nfs/dbraw/zinc/18/82/57/981188257.db2.gz YQBUZVBACUDUSG-HNAYVOBHSA-N -1 0 309.365 3.500 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)c2ccccc2O1 ZINC001595486487 981229395 /nfs/dbraw/zinc/22/93/95/981229395.db2.gz CWUCGQCRUVIFDO-WTNCMQEWSA-N -1 0 313.353 3.555 20 0 DHADRM CC(C)(CC(=O)NCCCCC1(C(=O)[O-])CCC1)C(F)(F)F ZINC000908339027 981304403 /nfs/dbraw/zinc/30/44/03/981304403.db2.gz UWZATLMODBEVIW-UHFFFAOYSA-N -1 0 323.355 3.506 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(Cl)cc3)(CC1)CC2 ZINC000908689407 981339701 /nfs/dbraw/zinc/33/97/01/981339701.db2.gz YKPNIYJORJJOOY-UHFFFAOYSA-N -1 0 307.777 3.704 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908708873 981344570 /nfs/dbraw/zinc/34/45/70/981344570.db2.gz FSKJYTGQFHWEPP-FTXHTYHOSA-N -1 0 315.413 3.597 20 0 DHADRM CCCC(=CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])CCC ZINC001595522491 981345045 /nfs/dbraw/zinc/34/50/45/981345045.db2.gz RAZIYZXLTSYVOE-KRWDZBQOSA-N -1 0 315.413 3.551 20 0 DHADRM CCCC(=O)CSc1ccc(Br)cc1C(=O)[O-] ZINC001595522532 981345155 /nfs/dbraw/zinc/34/51/55/981345155.db2.gz SXPLGXBZNJIRJN-UHFFFAOYSA-N -1 0 317.204 3.609 20 0 DHADRM CCC[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])C(C)C ZINC001595533484 981375895 /nfs/dbraw/zinc/37/58/95/981375895.db2.gz XRBGOEPXRXFOMM-HOCLYGCPSA-N -1 0 305.418 3.561 20 0 DHADRM CCC[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccn1 ZINC001595538008 981389775 /nfs/dbraw/zinc/38/97/75/981389775.db2.gz PNYABRYAUSCZFB-VXGBXAGGSA-N -1 0 317.341 3.561 20 0 DHADRM CCCC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595538126 981390379 /nfs/dbraw/zinc/39/03/79/981390379.db2.gz FVLMZVHYNAZURA-HNNXBMFYSA-N -1 0 309.381 3.592 20 0 DHADRM CCCC(C)(C)CC(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595539027 981396051 /nfs/dbraw/zinc/39/60/51/981396051.db2.gz VSXPEGSKTLPIRL-VQHVLOKHSA-N -1 0 320.385 3.915 20 0 DHADRM CCC[C@](C)(CC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595542658 981404254 /nfs/dbraw/zinc/40/42/54/981404254.db2.gz XAEOAYCVFWSCGA-ACJLOTCBSA-N -1 0 321.417 3.544 20 0 DHADRM CCC[C@@](C)(NC(=O)/C=C(\CC)c1cccc(Cl)c1)C(=O)[O-] ZINC001595546431 981411154 /nfs/dbraw/zinc/41/11/54/981411154.db2.gz PLKKNGCDFVNBPB-FMQWLBJXSA-N -1 0 323.820 3.893 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(N2CCCC2)c1 ZINC000909077938 981414781 /nfs/dbraw/zinc/41/47/81/981414781.db2.gz AGUUFVVMEXHTBY-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909111934 981420004 /nfs/dbraw/zinc/42/00/04/981420004.db2.gz XISQXIWYTPFLHD-UHFFFAOYSA-N -1 0 322.748 3.710 20 0 DHADRM Cc1oc2ccccc2c1C(=O)NCCCCCCC(=O)[O-] ZINC000909144524 981427005 /nfs/dbraw/zinc/42/70/05/981427005.db2.gz DSABYNBQXCCBHK-UHFFFAOYSA-N -1 0 303.358 3.506 20 0 DHADRM Cc1sccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288970 981460972 /nfs/dbraw/zinc/46/09/72/981460972.db2.gz YRWHNMJWZMTTOU-UHFFFAOYSA-N -1 0 303.383 3.671 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000909402434 981484464 /nfs/dbraw/zinc/48/44/64/981484464.db2.gz ABXZJZKRZYIKQY-AXOLYNHLSA-N -1 0 321.442 3.659 20 0 DHADRM CCC[C@@H](C)CCNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595573987 981489927 /nfs/dbraw/zinc/48/99/27/981489927.db2.gz NFHUKECLPABQCF-LLVKDONJSA-N -1 0 306.406 3.949 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595578486 981500825 /nfs/dbraw/zinc/50/08/25/981500825.db2.gz FHWQGPWMHCNFGE-NVXWUHKLSA-N -1 0 319.445 3.951 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000909506233 981514600 /nfs/dbraw/zinc/51/46/00/981514600.db2.gz WRGRIXQNRRPQJC-ROUUACIJSA-N -1 0 323.392 3.836 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000909509852 981517530 /nfs/dbraw/zinc/51/75/30/981517530.db2.gz DMKIXKHKMSVPAU-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1scnc1C(C)C ZINC000909513364 981520570 /nfs/dbraw/zinc/52/05/70/981520570.db2.gz OCBGBYYHYAFZDN-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595585684 981525442 /nfs/dbraw/zinc/52/54/42/981525442.db2.gz ACOVAQIDXOMFQK-RISCZKNCSA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001595585802 981526660 /nfs/dbraw/zinc/52/66/60/981526660.db2.gz DQYOAHLJPRCFDQ-CQSZACIVSA-N -1 0 321.417 3.859 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595586089 981529191 /nfs/dbraw/zinc/52/91/91/981529191.db2.gz OQYZBOFXIHARIU-SUMWQHHRSA-N -1 0 313.397 3.908 20 0 DHADRM Cc1oc2ccccc2c1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000909534439 981534485 /nfs/dbraw/zinc/53/44/85/981534485.db2.gz RFGMJWPGWHOCFX-FZKQIMNGSA-N -1 0 315.369 3.505 20 0 DHADRM CCCC(CCC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001595586954 981537282 /nfs/dbraw/zinc/53/72/82/981537282.db2.gz WNXKXRQFAMKNEJ-JYJNAYRXSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC000909576967 981546276 /nfs/dbraw/zinc/54/62/76/981546276.db2.gz KZAKGXFWMMDIAG-NSHDSACASA-N -1 0 317.341 3.716 20 0 DHADRM CCC[C@@H](O)CCCSCc1ccc(F)cc1C(=O)[O-] ZINC001595608275 981610681 /nfs/dbraw/zinc/61/06/81/981610681.db2.gz JSRFITGPTGJPHX-CYBMUJFWSA-N -1 0 300.395 3.698 20 0 DHADRM CCCCCc1ccc(NC(=O)N2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656505006 1014749805 /nfs/dbraw/zinc/74/98/05/1014749805.db2.gz XORDRCFFAMMAPA-UHFFFAOYSA-N -1 0 316.401 3.500 20 0 DHADRM CSc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000909834809 981652422 /nfs/dbraw/zinc/65/24/22/981652422.db2.gz BIYZUOAPFNSVKU-VIFPVBQESA-N -1 0 319.382 3.750 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594750190 981653553 /nfs/dbraw/zinc/65/35/53/981653553.db2.gz ZYAVPRKLKCSVND-KGLIPLIRSA-N -1 0 309.381 3.530 20 0 DHADRM CC(C)c1scnc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909835525 981654153 /nfs/dbraw/zinc/65/41/53/981654153.db2.gz SLVVAVYKCZNWOM-JTQLQIEISA-N -1 0 318.398 3.707 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595620139 981685884 /nfs/dbraw/zinc/68/58/84/981685884.db2.gz XQTUVNQHAOWAIM-FZMZJTMJSA-N -1 0 319.405 3.521 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595620453 981689187 /nfs/dbraw/zinc/68/91/87/981689187.db2.gz IKDANNPPLDJEGS-XJKSGUPXSA-N -1 0 321.392 3.850 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001595620723 981692441 /nfs/dbraw/zinc/69/24/41/981692441.db2.gz RCQQQCYMCHEEGT-IRXDYDNUSA-N -1 0 317.429 3.706 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001595620724 981692474 /nfs/dbraw/zinc/69/24/74/981692474.db2.gz RCQQQCYMCHEEGT-SJORKVTESA-N -1 0 317.429 3.706 20 0 DHADRM CCCC1CCC(N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001595620782 981693054 /nfs/dbraw/zinc/69/30/54/981693054.db2.gz TZNSTPJCNQKUEZ-UHFFFAOYSA-N -1 0 321.392 3.955 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC001594761551 981693973 /nfs/dbraw/zinc/69/39/73/981693973.db2.gz FMQHZKDCCRTXAK-CQSZACIVSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595621655 981702570 /nfs/dbraw/zinc/70/25/70/981702570.db2.gz MIJITNYMWLDJPJ-GXTWGEPZSA-N -1 0 321.392 3.860 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595621978 981705058 /nfs/dbraw/zinc/70/50/58/981705058.db2.gz QVHMCMSAFDTTRR-JSGCOSHPSA-N -1 0 319.401 3.938 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595621964 981705175 /nfs/dbraw/zinc/70/51/75/981705175.db2.gz QTUAQXRVDUCUEW-HDEZJCGLSA-N -1 0 317.429 3.781 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595622206 981707126 /nfs/dbraw/zinc/70/71/26/981707126.db2.gz SHPPVRKZLBQMKP-XNRPHZJLSA-N -1 0 321.392 3.592 20 0 DHADRM CCC/C=C\C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001595624540 981733719 /nfs/dbraw/zinc/73/37/19/981733719.db2.gz YJNQMOQOISVOJJ-IXNMTGGESA-N -1 0 311.381 3.828 20 0 DHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)C2 ZINC000910049487 981744625 /nfs/dbraw/zinc/74/46/25/981744625.db2.gz ZXLMHVHHOBMLMG-UHFFFAOYSA-N -1 0 323.392 3.640 20 0 DHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC001594775471 981759284 /nfs/dbraw/zinc/75/92/84/981759284.db2.gz RXQGBGIAXCLWCT-ZIAGYGMSSA-N -1 0 322.357 3.750 20 0 DHADRM CCCC(=CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)CCC ZINC000910151762 981766825 /nfs/dbraw/zinc/76/68/25/981766825.db2.gz FPAYKELMQDFUSU-SNVBAGLBSA-N -1 0 310.419 3.545 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCCCC1(C)C ZINC001594779470 981781418 /nfs/dbraw/zinc/78/14/18/981781418.db2.gz ACRGRBJXSBNCBV-RDTXWAMCSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001594780876 981785862 /nfs/dbraw/zinc/78/58/62/981785862.db2.gz ILKYAEKZLNUOJS-ZFHGCVPZSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](Oc1ccc(NC(=O)C2=CCCCCC2)cc1F)C(=O)[O-] ZINC000910230842 981794828 /nfs/dbraw/zinc/79/48/28/981794828.db2.gz BJWDGFFOVNQJDQ-LLVKDONJSA-N -1 0 321.348 3.507 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1occc1C(C)C ZINC001594786006 981807638 /nfs/dbraw/zinc/80/76/38/981807638.db2.gz QBKACXJCLFDCFM-KRWDZBQOSA-N -1 0 307.390 3.509 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595631136 981834525 /nfs/dbraw/zinc/83/45/25/981834525.db2.gz DPIOVAMTEISJNC-LLVKDONJSA-N -1 0 300.358 3.698 20 0 DHADRM CCCC[C@H](CC)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001595632480 981855878 /nfs/dbraw/zinc/85/58/78/981855878.db2.gz ZHKIWKKIEDZRAO-KBXCAEBGSA-N -1 0 305.418 3.709 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](C)/C=C/C(=O)[O-])CC1 ZINC001594796493 981876682 /nfs/dbraw/zinc/87/66/82/981876682.db2.gz AZTUNYIFGHIQRG-XCEUBBCOSA-N -1 0 321.461 3.765 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC001594796652 981879923 /nfs/dbraw/zinc/87/99/23/981879923.db2.gz HQQVTVAEQQFBIS-GPANFISMSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C1CCC1 ZINC001595635030 981898426 /nfs/dbraw/zinc/89/84/26/981898426.db2.gz SPRDGMLDAPVJFH-OAHLLOKOSA-N -1 0 309.450 3.887 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC000910387685 981909925 /nfs/dbraw/zinc/90/99/25/981909925.db2.gz FZMJANHNPJZNIY-BXUZGUMPSA-N -1 0 323.820 3.545 20 0 DHADRM CCC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594809562 981927996 /nfs/dbraw/zinc/92/79/96/981927996.db2.gz ZPCWXMXVYXGUMH-KRWDZBQOSA-N -1 0 313.397 3.908 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001594814035 981936172 /nfs/dbraw/zinc/93/61/72/981936172.db2.gz DUOFMPXMDRCOBS-UHFFFAOYSA-N -1 0 315.369 3.595 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001594821479 981971571 /nfs/dbraw/zinc/97/15/71/981971571.db2.gz BXUWUNLBMJNUQY-GOSISDBHSA-N -1 0 301.386 3.627 20 0 DHADRM CCCC[C@@H](Nc1cc(C)n(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001595642360 981972043 /nfs/dbraw/zinc/97/20/43/981972043.db2.gz OSSVBYDARLZRHV-CYBMUJFWSA-N -1 0 323.343 3.514 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC001594822399 981974700 /nfs/dbraw/zinc/97/47/00/981974700.db2.gz VYZXUDCTMAVIEO-SFHVURJKSA-N -1 0 305.418 3.747 20 0 DHADRM CCCC[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001595644548 981979571 /nfs/dbraw/zinc/97/95/71/981979571.db2.gz CDFXIYUEOZUIRO-KRWDZBQOSA-N -1 0 314.385 3.716 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC001595651281 982019462 /nfs/dbraw/zinc/01/94/62/982019462.db2.gz DSMGHLGFWFFLQR-JSGCOSHPSA-N -1 0 309.431 3.699 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595652543 982035300 /nfs/dbraw/zinc/03/53/00/982035300.db2.gz VGMVIHJWCGZPEK-UMVBOHGHSA-N -1 0 323.458 3.629 20 0 DHADRM CCCC[C@H](SCC(=O)N(c1ccccc1)C(C)C)C(=O)[O-] ZINC001595655003 982042790 /nfs/dbraw/zinc/04/27/90/982042790.db2.gz GZGRSZNOMCETJR-HNNXBMFYSA-N -1 0 323.458 3.805 20 0 DHADRM CCCC[C@@H](SCc1cc2ccccc2oc1=O)C(=O)[O-] ZINC001595655256 982043800 /nfs/dbraw/zinc/04/38/00/982043800.db2.gz JATDTYZGFUIXJF-CQSZACIVSA-N -1 0 306.383 3.670 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001595656633 982054849 /nfs/dbraw/zinc/05/48/49/982054849.db2.gz BVYLVSNLRUJDHJ-LSDHHAIUSA-N -1 0 316.401 3.719 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001595657243 982061009 /nfs/dbraw/zinc/06/10/09/982061009.db2.gz PMJJXLNLGXCYID-UHFFFAOYSA-N -1 0 318.417 3.893 20 0 DHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)CC(C)(C)C)C(F)(F)F)c1 ZINC000443041416 1014795669 /nfs/dbraw/zinc/79/56/69/1014795669.db2.gz LJKWDQRVSGMBKZ-GFCCVEGCSA-N -1 0 323.380 3.564 20 0 DHADRM CCCCC1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CC1 ZINC001595657715 982066034 /nfs/dbraw/zinc/06/60/34/982066034.db2.gz ZJORIYNXLAAYOX-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM Cc1ccsc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910696861 982067772 /nfs/dbraw/zinc/06/77/72/982067772.db2.gz JZPUTJQGIYBKIG-UHFFFAOYSA-N -1 0 310.400 3.587 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001594846566 982068281 /nfs/dbraw/zinc/06/82/81/982068281.db2.gz GAGGYNMCPUNLCX-IBGZPJMESA-N -1 0 311.381 3.748 20 0 DHADRM CCCCC1CCC(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001595660851 982073032 /nfs/dbraw/zinc/07/30/32/982073032.db2.gz MZPVAKUBHIKOPD-UHFFFAOYSA-N -1 0 318.417 3.644 20 0 DHADRM Cc1sc([C@@H]2CCCN2C(=O)CCCC(C)C)nc1C(=O)[O-] ZINC000910719637 982081836 /nfs/dbraw/zinc/08/18/36/982081836.db2.gz CJSFHHKGQWEWOB-LBPRGKRZSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595663238 982082702 /nfs/dbraw/zinc/08/27/02/982082702.db2.gz RVDYIQAYXMQBHH-CSKARUKUSA-N -1 0 307.390 3.714 20 0 DHADRM CCCC[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723388 982085773 /nfs/dbraw/zinc/08/57/73/982085773.db2.gz YHHLSBYKTMTNRR-CMPLNLGQSA-N -1 0 324.446 3.640 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733726 982095738 /nfs/dbraw/zinc/09/57/38/982095738.db2.gz QPLWXGLULRICBS-VIFPVBQESA-N -1 0 310.419 3.730 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595666174 982097305 /nfs/dbraw/zinc/09/73/05/982097305.db2.gz DQZCFSJQHRLDPO-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595666517 982101556 /nfs/dbraw/zinc/10/15/56/982101556.db2.gz LRFZUDQDHHSFIX-JLSDUUJJSA-N -1 0 309.450 3.839 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595666592 982104705 /nfs/dbraw/zinc/10/47/05/982104705.db2.gz ODYHBEAPBLEKBE-CYBMUJFWSA-N -1 0 318.417 3.666 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595667061 982109330 /nfs/dbraw/zinc/10/93/30/982109330.db2.gz YTLGSFHGVGEYLZ-HOCLYGCPSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCC[C@H](CC)C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595668902 982111079 /nfs/dbraw/zinc/11/10/79/982111079.db2.gz DJOJNNXUGBMTCY-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001595668573 982111259 /nfs/dbraw/zinc/11/12/59/982111259.db2.gz BNCQUEMYSKBRSH-CKUJCDMFSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595670050 982116410 /nfs/dbraw/zinc/11/64/10/982116410.db2.gz MLAXMCBMBBBECU-GDBMZVCRSA-N -1 0 323.408 3.544 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595670565 982119425 /nfs/dbraw/zinc/11/94/25/982119425.db2.gz RUWMUGDBJKGZFA-ZDUSSCGKSA-N -1 0 306.406 3.942 20 0 DHADRM CCCCC[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001595671928 982127449 /nfs/dbraw/zinc/12/74/49/982127449.db2.gz JFNYPKHPENIDKT-NVXWUHKLSA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@@H](NC(=O)Cc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001595672884 982138501 /nfs/dbraw/zinc/13/85/01/982138501.db2.gz RFHXGKNJOSXATL-QGZVFWFLSA-N -1 0 319.445 3.577 20 0 DHADRM CC/C(C)=C(/C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594862247 982153893 /nfs/dbraw/zinc/15/38/93/982153893.db2.gz VHQMEJPXYYLHCO-QOHRORDFSA-N -1 0 311.381 3.828 20 0 DHADRM CC[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594865327 982166007 /nfs/dbraw/zinc/16/60/07/982166007.db2.gz TYPPABQRNLJZDW-PRHODGIISA-N -1 0 318.200 3.624 20 0 DHADRM CSc1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1C(=O)[O-] ZINC000910947888 982172626 /nfs/dbraw/zinc/17/26/26/982172626.db2.gz QOADAASXAIMDFQ-INIZCTEOSA-N -1 0 305.399 3.792 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CC)OC1CCCC1 ZINC000910961122 982178911 /nfs/dbraw/zinc/17/89/11/982178911.db2.gz RYKSEHHNRHQLJJ-INIZCTEOSA-N -1 0 319.401 3.624 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccs1 ZINC000910962312 982180184 /nfs/dbraw/zinc/18/01/84/982180184.db2.gz PZFAYBRTWLMXHF-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595694487 982212170 /nfs/dbraw/zinc/21/21/70/982212170.db2.gz CFWKXIUCYLEAIN-MRXNPFEDSA-N -1 0 307.394 3.500 20 0 DHADRM CCCCCCC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595694507 982212721 /nfs/dbraw/zinc/21/27/21/982212721.db2.gz CYOAWPHGTSUVNN-HNNXBMFYSA-N -1 0 317.385 3.515 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001595694966 982216298 /nfs/dbraw/zinc/21/62/98/982216298.db2.gz LXWPTUFAKOFDFK-YOEHRIQHSA-N -1 0 317.429 3.944 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595695185 982217256 /nfs/dbraw/zinc/21/72/56/982217256.db2.gz QFLHPKAVPABYLV-ZDUSSCGKSA-N -1 0 320.433 3.996 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595695162 982217392 /nfs/dbraw/zinc/21/73/92/982217392.db2.gz PSWKTRJYAVGYAV-NSHDSACASA-N -1 0 317.389 3.806 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[O-])N1CC[C@H](CCOC)c2ccccc21 ZINC001594878854 982227125 /nfs/dbraw/zinc/22/71/25/982227125.db2.gz YQKMEUOIGIBYRH-JJRVBVJISA-N -1 0 305.418 3.516 20 0 DHADRM C[C@@H]1CCc2ccccc2N1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911105591 982240812 /nfs/dbraw/zinc/24/08/12/982240812.db2.gz BGAVXNQJOJXWJH-CQSZACIVSA-N -1 0 323.392 3.685 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O ZINC001595698249 982249500 /nfs/dbraw/zinc/24/95/00/982249500.db2.gz PXSKETMEWKRUFX-LLVKDONJSA-N -1 0 322.405 3.851 20 0 DHADRM CCCCCN(C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)C(C)C ZINC001595715191 982312897 /nfs/dbraw/zinc/31/28/97/982312897.db2.gz OTYIOYQRKFODRH-UHFFFAOYSA-N -1 0 308.422 3.625 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccn2C2CCCC2)c1 ZINC000191056688 1014829951 /nfs/dbraw/zinc/82/99/51/1014829951.db2.gz YBEJQAOTQORJDV-UHFFFAOYSA-N -1 0 316.332 3.693 20 0 DHADRM Cc1nc(-c2ccccc2NC(=O)C[C@H](C)CC(=O)[O-])cs1 ZINC000911373518 982391261 /nfs/dbraw/zinc/39/12/61/982391261.db2.gz CMGXFSOKXZKWHJ-JTQLQIEISA-N -1 0 318.398 3.558 20 0 DHADRM CCCCOC(=O)CS[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001595764759 982484478 /nfs/dbraw/zinc/48/44/78/982484478.db2.gz WAXJSVCJSSBLDG-ZDUSSCGKSA-N -1 0 316.806 3.542 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000911560590 982503112 /nfs/dbraw/zinc/50/31/12/982503112.db2.gz DDXWFSCRMFYKSB-ZDUSSCGKSA-N -1 0 318.417 3.505 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001594928165 982533037 /nfs/dbraw/zinc/53/30/37/982533037.db2.gz CYNXPZNLZYOAID-TZMCWYRMSA-N -1 0 304.415 3.523 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001594928904 982544042 /nfs/dbraw/zinc/54/40/42/982544042.db2.gz PBOFFTJENIKHTQ-MFKMUULPSA-N -1 0 308.378 3.603 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-] ZINC001594930085 982550745 /nfs/dbraw/zinc/55/07/45/982550745.db2.gz VMZLYHXEHBFCDR-DGCLKSJQSA-N -1 0 320.414 3.945 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595785827 982572164 /nfs/dbraw/zinc/57/21/64/982572164.db2.gz HTVXAWZCHKZAOV-QMMMGPOBSA-N -1 0 317.357 3.523 20 0 DHADRM CCCCS[C@@H](C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595789073 982586731 /nfs/dbraw/zinc/58/67/31/982586731.db2.gz MJJOQKYWVQQLRK-JTQLQIEISA-N -1 0 314.378 3.660 20 0 DHADRM CCCCSc1nnc(SCC(C)(C)C(=O)[O-])s1 ZINC001595792645 982594336 /nfs/dbraw/zinc/59/43/36/982594336.db2.gz XWNWYLBJWSCFKH-UHFFFAOYSA-N -1 0 306.478 3.633 20 0 DHADRM CCCCc1cc(NC[C@H](C(=O)[O-])C2CCCCC2)ncn1 ZINC001595793401 982595437 /nfs/dbraw/zinc/59/54/37/982595437.db2.gz HNWWNPNLWKETSJ-HNNXBMFYSA-N -1 0 305.422 3.512 20 0 DHADRM CCCCc1ccc(C(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001595794039 982597997 /nfs/dbraw/zinc/59/79/97/982597997.db2.gz WVYHOXXXWHIOFG-UHFFFAOYSA-N -1 0 312.365 3.989 20 0 DHADRM CCCCc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001595797063 982604268 /nfs/dbraw/zinc/60/42/68/982604268.db2.gz SFUPGCLEOMHGDA-KTKRTIGZSA-N -1 0 313.353 3.972 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001594939978 982612087 /nfs/dbraw/zinc/61/20/87/982612087.db2.gz WTUJJQUTXKAYPP-MLGOLLRUSA-N -1 0 309.450 3.599 20 0 DHADRM CCN(C(=O)CC1CCC(C(=O)[O-])CC1)c1cccc(C)c1 ZINC000581431666 1014855105 /nfs/dbraw/zinc/85/51/05/1014855105.db2.gz RCEPEZGGYHRTKJ-UHFFFAOYSA-N -1 0 303.402 3.629 20 0 DHADRM CC(C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)=C1CCC1 ZINC000911733785 982618467 /nfs/dbraw/zinc/61/84/67/982618467.db2.gz IIBPBJWPZMSKNG-UHFFFAOYSA-N -1 0 303.358 3.611 20 0 DHADRM CCCCc1noc([C@@H](C)Oc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001595802331 982618504 /nfs/dbraw/zinc/61/85/04/982618504.db2.gz JDDSUJMOOAAZDX-SECBINFHSA-N -1 0 324.764 3.904 20 0 DHADRM CC(C)Oc1c(NC(=O)C=C2CCCC2)cccc1C(=O)[O-] ZINC000911738714 982621250 /nfs/dbraw/zinc/62/12/50/982621250.db2.gz XXVFFKGDVBNUPR-UHFFFAOYSA-N -1 0 303.358 3.611 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)[O-] ZINC001594945712 982634721 /nfs/dbraw/zinc/63/47/21/982634721.db2.gz GILSPMUJBIPLTC-WBMJQRKESA-N -1 0 315.369 3.566 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC001594946020 982638349 /nfs/dbraw/zinc/63/83/49/982638349.db2.gz VKSKUOOYIZMJPF-GWCFXTLKSA-N -1 0 319.426 3.829 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001594946869 982644471 /nfs/dbraw/zinc/64/44/71/982644471.db2.gz SXCMSCCAWVTUDX-SUMWQHHRSA-N -1 0 315.413 3.873 20 0 DHADRM CCCN(C(=O)/C=C(\CC)c1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001595817025 982677335 /nfs/dbraw/zinc/67/73/35/982677335.db2.gz OFTSUHTWEOKTEV-OWRWYXLESA-N -1 0 323.820 3.845 20 0 DHADRM CCCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595817492 982680502 /nfs/dbraw/zinc/68/05/02/982680502.db2.gz SMFSIFNSBGCGPU-ZBFHGGJFSA-N -1 0 305.418 3.877 20 0 DHADRM CC[C@@H](C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594958066 982694747 /nfs/dbraw/zinc/69/47/47/982694747.db2.gz PZUHNTMTPLXNSX-SECBINFHSA-N -1 0 315.316 3.751 20 0 DHADRM C[C@@]1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C=CCC1 ZINC000923066098 982704376 /nfs/dbraw/zinc/70/43/76/982704376.db2.gz VNYHSXJKRYMCIK-QGZVFWFLSA-N -1 0 319.426 3.689 20 0 DHADRM CC[C@H](C)CCCCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594959197 982704532 /nfs/dbraw/zinc/70/45/32/982704532.db2.gz NZGJRQPQWYIVCQ-AWEZNQCLSA-N -1 0 305.418 3.536 20 0 DHADRM CC[C@H](C)CCCCC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001594959417 982706546 /nfs/dbraw/zinc/70/65/46/982706546.db2.gz TXGGPOSXKLCMSW-ZDUSSCGKSA-N -1 0 321.417 3.963 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594959438 982707134 /nfs/dbraw/zinc/70/71/34/982707134.db2.gz UGJNGCXQIDOSJJ-CZUORRHYSA-N -1 0 323.408 3.717 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001594959507 982707884 /nfs/dbraw/zinc/70/78/84/982707884.db2.gz WDZIWGZEQAVIET-RHSMWYFYSA-N -1 0 317.429 3.631 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000923075666 982708195 /nfs/dbraw/zinc/70/81/95/982708195.db2.gz LHQFTMOBWRCCCO-ZIAGYGMSSA-N -1 0 301.386 3.635 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594959638 982708807 /nfs/dbraw/zinc/70/88/07/982708807.db2.gz ZYIZRHZVCXYMIV-ZFWWWQNUSA-N -1 0 303.402 3.808 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000923093011 982718047 /nfs/dbraw/zinc/71/80/47/982718047.db2.gz WOJTUDRWHZHLSV-JTQLQIEISA-N -1 0 303.383 3.887 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@]1(C)CCc2ccccc21 ZINC000923096001 982720427 /nfs/dbraw/zinc/72/04/27/982720427.db2.gz YCBBNABNGPLHQQ-KRWDZBQOSA-N -1 0 315.394 3.597 20 0 DHADRM COCc1csc(CNc2ccccc2CCCC(=O)[O-])c1 ZINC000656566658 1014875483 /nfs/dbraw/zinc/87/54/83/1014875483.db2.gz QYQYGVHBRDQIOJ-UHFFFAOYSA-N -1 0 319.426 3.914 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001594972292 982742959 /nfs/dbraw/zinc/74/29/59/982742959.db2.gz TWSJWLVUUAPPRX-UQTJOTSZSA-N -1 0 317.429 3.709 20 0 DHADRM CCCC(=CC(=O)NCCc1ccccc1C(=O)[O-])CCC ZINC000923133204 982745554 /nfs/dbraw/zinc/74/55/54/982745554.db2.gz OXDPCFOJXWDXRS-UHFFFAOYSA-N -1 0 303.402 3.570 20 0 DHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C2CCCC2)cc1 ZINC000923155459 982771970 /nfs/dbraw/zinc/77/19/70/982771970.db2.gz RFANINUJDYNCLK-CXAGYDPISA-N -1 0 315.413 3.670 20 0 DHADRM Cc1c(NCc2cccc(OC3CC3)c2F)cccc1C(=O)[O-] ZINC000656573477 1014882047 /nfs/dbraw/zinc/88/20/47/1014882047.db2.gz PXNCNUFCWOWTFB-UHFFFAOYSA-N -1 0 315.344 3.986 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C=C2CCCCC2)cc1 ZINC001116297388 982925042 /nfs/dbraw/zinc/92/50/42/982925042.db2.gz LVEGTELUKLQWEJ-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001116906434 982936064 /nfs/dbraw/zinc/93/60/64/982936064.db2.gz JNKKLFBFUFUQEQ-OXQOHEQNSA-N -1 0 321.376 3.536 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC001595013582 982948532 /nfs/dbraw/zinc/94/85/32/982948532.db2.gz JXJSFHREHPQKET-QJPTWQEYSA-N -1 0 309.431 3.733 20 0 DHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000443422593 1014909850 /nfs/dbraw/zinc/90/98/50/1014909850.db2.gz LTJXELOQDUSHTQ-CYBMUJFWSA-N -1 0 318.442 3.958 20 0 DHADRM CCOc1cccc(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000443418186 1014912855 /nfs/dbraw/zinc/91/28/55/1014912855.db2.gz YHAXNWGJEYNARY-UHFFFAOYSA-N -1 0 317.366 3.632 20 0 DHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001595960192 983149536 /nfs/dbraw/zinc/14/95/36/983149536.db2.gz DGDPYBPYNHWMHU-UHFFFAOYSA-N -1 0 323.732 3.672 20 0 DHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(C)o2)cc1F ZINC001595966696 983173313 /nfs/dbraw/zinc/17/33/13/983173313.db2.gz PCEHDVKOMYXUSZ-UHFFFAOYSA-N -1 0 307.321 3.826 20 0 DHADRM CCC[C@@H](NC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595992525 983245622 /nfs/dbraw/zinc/24/56/22/983245622.db2.gz AFEYEILLFYOINA-UARSRXHTSA-N -1 0 323.477 3.989 20 0 DHADRM CCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001596015578 983277288 /nfs/dbraw/zinc/27/72/88/983277288.db2.gz LWJOFJBUHRNVHI-XQXASTNHSA-N -1 0 321.461 3.743 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(C)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596045367 983333004 /nfs/dbraw/zinc/33/30/04/983333004.db2.gz MJXIJJHXYPWBSG-UHFFFAOYSA-N -1 0 300.358 3.535 20 0 DHADRM CCCc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)s1 ZINC001596060593 983369126 /nfs/dbraw/zinc/36/91/26/983369126.db2.gz MIASJPCKGZTKJC-UHFFFAOYSA-N -1 0 321.373 3.571 20 0 DHADRM CCCc1ccccc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001596070451 983384767 /nfs/dbraw/zinc/38/47/67/983384767.db2.gz DNFVADUNYZJCIF-UHFFFAOYSA-N -1 0 319.307 3.868 20 0 DHADRM CCCc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001596070540 983385540 /nfs/dbraw/zinc/38/55/40/983385540.db2.gz KHHDMGLTZQTNFY-OAHLLOKOSA-N -1 0 323.392 3.858 20 0 DHADRM CCCn1nccc1CNc1cc2ccccc2c(C(=O)[O-])c1 ZINC001596121918 983460160 /nfs/dbraw/zinc/46/01/60/983460160.db2.gz LBHRSWDSPFQXPQ-UHFFFAOYSA-N -1 0 309.369 3.757 20 0 DHADRM CCN(C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131738 983479430 /nfs/dbraw/zinc/47/94/30/983479430.db2.gz RMFMJUJTHDELGR-FSPWUOQZSA-N -1 0 323.392 3.787 20 0 DHADRM CCN(C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C)C(C)(C)C(=O)[O-] ZINC001596133268 983481666 /nfs/dbraw/zinc/48/16/66/983481666.db2.gz ICUSKIAXVVQUKF-KGLIPLIRSA-N -1 0 317.429 3.688 20 0 DHADRM CCN(C(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1C(=O)[O-] ZINC001596138381 983489131 /nfs/dbraw/zinc/48/91/31/983489131.db2.gz SBDOSFJFKLLBNO-MRXNPFEDSA-N -1 0 323.392 3.543 20 0 DHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cc(C)ccc1C ZINC001596167297 983531890 /nfs/dbraw/zinc/53/18/90/983531890.db2.gz NELYWHNUGPNFPX-CSKARUKUSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001596169437 983533333 /nfs/dbraw/zinc/53/33/33/983533333.db2.gz AZXPMYUFYCEUFM-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(CCC1CC1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001596321002 983752891 /nfs/dbraw/zinc/75/28/91/983752891.db2.gz ZDFSHMAHJQZMFG-CYBMUJFWSA-N -1 0 318.417 3.604 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])ccc1F)c1ccccc1OC ZINC001596355801 983821900 /nfs/dbraw/zinc/82/19/00/983821900.db2.gz FKCDCCDJSXHIQV-UHFFFAOYSA-N -1 0 303.333 3.559 20 0 DHADRM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@H](C)C(F)(F)F ZINC001596364604 983849918 /nfs/dbraw/zinc/84/99/18/983849918.db2.gz PWLNHGOWAKZESV-MRVPVSSYSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001596371334 983867908 /nfs/dbraw/zinc/86/79/08/983867908.db2.gz NPYRQHBMCOXJNI-UHFFFAOYSA-N -1 0 318.398 3.809 20 0 DHADRM O=C(c1cc(F)ccc1O)N(Cc1ccco1)Cc1ccco1 ZINC000093928264 1014988905 /nfs/dbraw/zinc/98/89/05/1014988905.db2.gz YXFURXBIWOKQDT-UHFFFAOYSA-N -1 0 315.300 3.560 20 0 DHADRM CCNc1ccccc1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596504388 984258824 /nfs/dbraw/zinc/25/88/24/984258824.db2.gz OLWKCCQCVXOSSY-DLBZAZTESA-N -1 0 310.397 3.919 20 0 DHADRM CCNc1nc(S[C@H](CC(C)C)C(=O)[O-])nc2ccccc21 ZINC001596504533 984259777 /nfs/dbraw/zinc/25/97/77/984259777.db2.gz CENJLSRTUAPWJC-CYBMUJFWSA-N -1 0 319.430 3.653 20 0 DHADRM CCOC(=O)C1CCC(Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC001596569793 984460993 /nfs/dbraw/zinc/46/09/93/984460993.db2.gz GHKRQHONVAHJLL-UHFFFAOYSA-N -1 0 319.401 3.535 20 0 DHADRM C=Cc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588921834 984580382 /nfs/dbraw/zinc/58/03/82/984580382.db2.gz NFGDXWCAOSTZBO-UHFFFAOYSA-N -1 0 302.374 3.629 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC001588938285 984620866 /nfs/dbraw/zinc/62/08/66/984620866.db2.gz ACDSWBLYYDLAOX-HIJJYWJESA-N -1 0 321.423 3.545 20 0 DHADRM C/C(=C/C(=O)Nc1c(C)csc1C(=O)[O-])c1ccc(F)cc1 ZINC001588943816 984642000 /nfs/dbraw/zinc/64/20/00/984642000.db2.gz DUCLNPPIWRFFOC-CLFYSBASSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C\C(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccco1 ZINC001588943952 984642757 /nfs/dbraw/zinc/64/27/57/984642757.db2.gz KDOLKJIXXPEMSV-BQYQJAHWSA-N -1 0 305.355 3.698 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)cc1C(=O)[O-])c1cccs1 ZINC001588943959 984643711 /nfs/dbraw/zinc/64/37/11/984643711.db2.gz KKSIOPOUDZKPTM-VQHVLOKHSA-N -1 0 305.330 3.627 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1CC(C(C)(C)C)C1 ZINC001599886666 984644068 /nfs/dbraw/zinc/64/40/68/984644068.db2.gz UYKUAFNUIKGJIR-IUDNXUCKSA-N -1 0 317.429 3.561 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599892021 984706382 /nfs/dbraw/zinc/70/63/82/984706382.db2.gz XYNZQIJOPXFIAS-CJNGLKHVSA-N -1 0 309.450 3.743 20 0 DHADRM C/C(=C/CN1CCCCc2ccc(Br)cc21)C(=O)[O-] ZINC001588959932 984727726 /nfs/dbraw/zinc/72/77/26/984727726.db2.gz VBBUBIDEKHHGEN-XFFZJAGNSA-N -1 0 324.218 3.623 20 0 DHADRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCCCC1 ZINC001599894584 984737336 /nfs/dbraw/zinc/73/73/36/984737336.db2.gz PIFZCBUOYUGVAA-GJZGRUSLSA-N -1 0 324.465 3.632 20 0 DHADRM C[C@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)c1ccccc1 ZINC001599903078 984876802 /nfs/dbraw/zinc/87/68/02/984876802.db2.gz YJSICEOQIRJJKB-VIFPVBQESA-N -1 0 310.275 3.972 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001599903831 984895115 /nfs/dbraw/zinc/89/51/15/984895115.db2.gz LPJWJZAVXTZBSI-GUBZILKMSA-N -1 0 316.806 3.897 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)c2cccc(CC(=O)[O-])c2)C1(C)C ZINC001599907927 984947374 /nfs/dbraw/zinc/94/73/74/984947374.db2.gz IBNMAZGTMOKOSI-DJJJIMSYSA-N -1 0 317.429 3.506 20 0 DHADRM C/C(=C/c1ccccc1)CN(C)c1nc(C(=O)[O-])c(C)s1 ZINC001589003835 984958198 /nfs/dbraw/zinc/95/81/98/984958198.db2.gz NLOKPURRAFWDAH-LUAWRHEFSA-N -1 0 302.399 3.689 20 0 DHADRM C/C(=C/c1ccco1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001589010473 984978778 /nfs/dbraw/zinc/97/87/78/984978778.db2.gz MYFWWQDWGSWQJM-YLGBQOPLSA-N -1 0 313.353 3.585 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000656738027 1015109340 /nfs/dbraw/zinc/10/93/40/1015109340.db2.gz PYBQGWVATCQVCA-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cnn2CC)cc1 ZINC000656741833 1015111869 /nfs/dbraw/zinc/11/18/69/1015111869.db2.gz QMAHIWUMNYBBPK-GFCCVEGCSA-N -1 0 321.446 3.526 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc2c1CCCC2 ZINC000262227887 1015117186 /nfs/dbraw/zinc/11/71/86/1015117186.db2.gz RYFPHVHDNVFEDZ-UHFFFAOYSA-N -1 0 323.392 3.835 20 0 DHADRM COc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1Cl ZINC000656755960 1015129480 /nfs/dbraw/zinc/12/94/80/1015129480.db2.gz XKQVRVZVEAOFIE-UHFFFAOYSA-N -1 0 323.776 3.580 20 0 DHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001589199408 985631619 /nfs/dbraw/zinc/63/16/19/985631619.db2.gz IWYWBCSDUFPRIE-OAHLLOKOSA-N -1 0 318.760 3.536 20 0 DHADRM Cc1[nH]c(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)c(C)c1C(=O)[O-] ZINC001599954087 985657126 /nfs/dbraw/zinc/65/71/26/985657126.db2.gz WCJFFFZYNWGVDM-MLCYQJTMSA-N -1 0 320.433 3.664 20 0 DHADRM Cc1[nH]c(CNc2cccc(Oc3ccccn3)c2)cc1C(=O)[O-] ZINC001599963214 985837470 /nfs/dbraw/zinc/83/74/70/985837470.db2.gz JPDRLJQDKBBVRL-UHFFFAOYSA-N -1 0 323.352 3.821 20 0 DHADRM Cc1[nH]c2c(cccc2C(=O)OC2CCC(C(=O)[O-])CC2)c1C ZINC001599965016 985885662 /nfs/dbraw/zinc/88/56/62/985885662.db2.gz JXQXJOPKUXYMMA-UHFFFAOYSA-N -1 0 315.369 3.585 20 0 DHADRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)ccn1C(C)C ZINC001599969360 985976863 /nfs/dbraw/zinc/97/68/63/985976863.db2.gz HLIXXBNFYHUMHZ-UHFFFAOYSA-N -1 0 311.341 3.793 20 0 DHADRM CC(=O)c1ccc(F)cc1OCc1ccc(C)c(C(=O)[O-])c1 ZINC001589283859 986016286 /nfs/dbraw/zinc/01/62/86/986016286.db2.gz LUYWERZXKWWLIN-UHFFFAOYSA-N -1 0 302.301 3.614 20 0 DHADRM Cc1c(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])ccn1C ZINC001599985148 986218369 /nfs/dbraw/zinc/21/83/69/986218369.db2.gz IOUNIZGQYLMHHI-UHFFFAOYSA-N -1 0 320.414 3.643 20 0 DHADRM C[C@H]([C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)C(C)(C)C ZINC001589346056 986283498 /nfs/dbraw/zinc/28/34/98/986283498.db2.gz KRVBNALCYRGELJ-QRJUGERDSA-N -1 0 323.477 3.797 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)CC(C)(C)C ZINC001597016891 986387742 /nfs/dbraw/zinc/38/77/42/986387742.db2.gz NCGFCMJCFSMRFZ-NSHDSACASA-N -1 0 322.405 3.730 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001597022020 986418090 /nfs/dbraw/zinc/41/80/90/986418090.db2.gz HPIHTOJPFYJZJU-QWHCGFSZSA-N -1 0 319.401 3.794 20 0 DHADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001594583818 986452260 /nfs/dbraw/zinc/45/22/60/986452260.db2.gz PVOWAZFKEYYPHU-YGRLFVJLSA-N -1 0 302.761 3.631 20 0 DHADRM CCOc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001597061597 986549103 /nfs/dbraw/zinc/54/91/03/986549103.db2.gz GZDJYODEVHZPQZ-UHFFFAOYSA-N -1 0 324.336 3.517 20 0 DHADRM CCOc1ccc(CNc2ccc(C(=O)[O-])cc2OC)cc1F ZINC001597105837 986743184 /nfs/dbraw/zinc/74/31/84/986743184.db2.gz UOQOCJHEJQCGIX-UHFFFAOYSA-N -1 0 319.332 3.543 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@H](C)C(C)(C)C ZINC001589435502 986745839 /nfs/dbraw/zinc/74/58/39/986745839.db2.gz KISQIVCAONLJRY-MNOVXSKESA-N -1 0 309.381 3.710 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001589436255 986750007 /nfs/dbraw/zinc/75/00/07/986750007.db2.gz RMAKKJHWJWMMFA-MRVPVSSYSA-N -1 0 313.756 3.942 20 0 DHADRM CCOc1ccc(NC(=O)/C(C)=C(\C)CC)c(C(=O)[O-])c1F ZINC001597111112 986760650 /nfs/dbraw/zinc/76/06/50/986760650.db2.gz AIEUSJIYVBHEEZ-MDZDMXLPSA-N -1 0 309.337 3.608 20 0 DHADRM C[C@H]([C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1)C(C)(C)C ZINC001589440283 986785329 /nfs/dbraw/zinc/78/53/29/986785329.db2.gz VJIZGNSWQSPQPM-QWHCGFSZSA-N -1 0 305.418 3.961 20 0 DHADRM C[C@@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CCC1 ZINC001589445917 986817753 /nfs/dbraw/zinc/81/77/53/986817753.db2.gz ZVGCNPDTJZMWFI-SECBINFHSA-N -1 0 303.383 3.974 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC001597122876 986821098 /nfs/dbraw/zinc/82/10/98/986821098.db2.gz HUEGISBAFGPWQI-UHFFFAOYSA-N -1 0 307.296 3.674 20 0 DHADRM C[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)[C@@H](C)C(C)(C)C ZINC001589448446 986823563 /nfs/dbraw/zinc/82/35/63/986823563.db2.gz KPUMZTUTNHCYEL-NXEZZACHSA-N -1 0 317.389 3.518 20 0 DHADRM CCOc1ccc(OC)cc1N[C@H](C)CC(C)(C)CC(=O)[O-] ZINC001597130727 986852434 /nfs/dbraw/zinc/85/24/34/986852434.db2.gz WEWWHCZYIXOEJO-GFCCVEGCSA-N -1 0 309.406 3.785 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001589459121 986908075 /nfs/dbraw/zinc/90/80/75/986908075.db2.gz VUXOKWGCPVZXRC-XJKSGUPXSA-N -1 0 303.402 3.535 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC001597150938 986931738 /nfs/dbraw/zinc/93/17/38/986931738.db2.gz VCUHQAUHOHTMPB-OAHLLOKOSA-N -1 0 322.401 3.971 20 0 DHADRM CCOc1cccc([C@@H](CC)OC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC001597151186 986935098 /nfs/dbraw/zinc/93/50/98/986935098.db2.gz YQVFSRMPIAPAPW-SWLSCSKDSA-N -1 0 308.374 3.581 20 0 DHADRM C[C@H]1c2c(F)cccc2CCN1Cc1csc(C(=O)[O-])c1 ZINC001594665886 986961333 /nfs/dbraw/zinc/96/13/33/986961333.db2.gz MMLAAXIYMUYZOP-JTQLQIEISA-N -1 0 305.374 3.705 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)CC(C)(C)C1CCCCC1)C1CCC1 ZINC001589472352 986966542 /nfs/dbraw/zinc/96/65/42/986966542.db2.gz OYTSIVLHXCCWSB-CYBMUJFWSA-N -1 0 309.450 3.837 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(F)ccc2s1)C1CCC1 ZINC001589477170 986982390 /nfs/dbraw/zinc/98/23/90/986982390.db2.gz MNKPVRBVYWUBHO-VIFPVBQESA-N -1 0 321.373 3.508 20 0 DHADRM CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597168649 986999548 /nfs/dbraw/zinc/99/95/48/986999548.db2.gz ZXDIUOJBBZKRFP-UHFFFAOYSA-N -1 0 313.353 3.598 20 0 DHADRM C/C=C(/C=C/C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)CC ZINC001594677961 987019105 /nfs/dbraw/zinc/01/91/05/987019105.db2.gz XUIYDWJOHSTIEU-XPVIYQEVSA-N -1 0 309.749 3.595 20 0 DHADRM CC/C(=C\C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594691670 987092832 /nfs/dbraw/zinc/09/28/32/987092832.db2.gz WXZAVFOCQXGQMZ-NTCAYCPXSA-N -1 0 315.413 3.692 20 0 DHADRM CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc(C)cc1 ZINC001594691666 987093399 /nfs/dbraw/zinc/09/33/99/987093399.db2.gz WVVYKPJBJPSCHL-QBOMHBFWSA-N -1 0 317.429 3.794 20 0 DHADRM CC/C(=C/C(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001594692404 987102990 /nfs/dbraw/zinc/10/29/90/987102990.db2.gz ZNEASISVUGARLV-REZBVGGZSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC001589502276 987103644 /nfs/dbraw/zinc/10/36/44/987103644.db2.gz DLLBADHCGGEFEN-GUIRCDHDSA-N -1 0 303.402 3.886 20 0 DHADRM CCC(=O)N(C)c1ccc(N[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001594694901 987109147 /nfs/dbraw/zinc/10/91/47/987109147.db2.gz BFZMBVQJDSCEMK-NSHDSACASA-N -1 0 316.357 3.524 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@H](C)C(C)(C)C2)cc1 ZINC001589509201 987131412 /nfs/dbraw/zinc/13/14/12/987131412.db2.gz ONAAFOKPMWJQFR-QWHCGFSZSA-N -1 0 318.417 3.775 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC001589513155 987155117 /nfs/dbraw/zinc/15/51/17/987155117.db2.gz OPBGHCPFDXTBCE-WRSAYESZSA-N -1 0 316.401 3.577 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC001589513156 987155172 /nfs/dbraw/zinc/15/51/72/987155172.db2.gz OPBGHCPFDXTBCE-XAYKYTGQSA-N -1 0 316.401 3.577 20 0 DHADRM COCCOc1ccc(-c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000581736930 1015285337 /nfs/dbraw/zinc/28/53/37/1015285337.db2.gz PAPSDBQRRQABAU-CQSZACIVSA-N -1 0 314.381 3.957 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ncccc3c2)c1 ZINC001589531422 987202728 /nfs/dbraw/zinc/20/27/28/987202728.db2.gz FZZLGDUYGCZSCB-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cc3ccccc3n2C)c1 ZINC001589531972 987208963 /nfs/dbraw/zinc/20/89/63/987208963.db2.gz MIWXRUAHTPPJRF-ZDUSSCGKSA-N -1 0 308.381 3.979 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC001589532508 987215089 /nfs/dbraw/zinc/21/50/89/987215089.db2.gz FFBHYCCOBDFJRP-LBPRGKRZSA-N -1 0 319.401 3.599 20 0 DHADRM CC[C@H](C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594724680 987221923 /nfs/dbraw/zinc/22/19/23/987221923.db2.gz AROQXWWVRFEDBE-MFQJDOPTSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@@H](C(=O)OC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001589542479 987254274 /nfs/dbraw/zinc/25/42/74/987254274.db2.gz CCLOGDJTQBDIRR-CDWSIMAYSA-N -1 0 310.777 3.630 20 0 DHADRM CC[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)C1CCC(C)CC1 ZINC001594737528 987281333 /nfs/dbraw/zinc/28/13/33/987281333.db2.gz XKPHHXAZLFKIQL-XTZTZFPZSA-N -1 0 309.450 3.599 20 0 DHADRM O=S(=O)([N-]c1cccc2ccsc21)c1cncc(Cl)c1 ZINC000350315863 1015295253 /nfs/dbraw/zinc/29/52/53/1015295253.db2.gz WZCGVWPGGDJUAI-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM CC(C)(C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C1CCCC1 ZINC001589567350 987333316 /nfs/dbraw/zinc/33/33/16/987333316.db2.gz OSJCTNNVLUDGGQ-AWEZNQCLSA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1F ZINC001597288513 987370711 /nfs/dbraw/zinc/37/07/11/987370711.db2.gz HXGGTFOCTNITPG-MRXNPFEDSA-N -1 0 315.344 3.713 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001597341885 987480258 /nfs/dbraw/zinc/48/02/58/987480258.db2.gz PUUBLYVQIWAMSC-HNNXBMFYSA-N -1 0 319.307 3.544 20 0 DHADRM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000581764647 1015315273 /nfs/dbraw/zinc/31/52/73/1015315273.db2.gz GAKBTZOFVNISPM-CYBMUJFWSA-N -1 0 308.403 3.662 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccc(Cl)c(C)c2)c(C)c1C(=O)[O-] ZINC001597373584 987558436 /nfs/dbraw/zinc/55/84/36/987558436.db2.gz UIEQEUFXGUFEPJ-UHFFFAOYSA-N -1 0 320.776 3.798 20 0 DHADRM CC(C)(C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001589681129 987709788 /nfs/dbraw/zinc/70/97/88/987709788.db2.gz TWAWULUDJVUIET-OAHLLOKOSA-N -1 0 302.370 3.742 20 0 DHADRM CCc1c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cnn1CCC(C)C ZINC001597420047 987730405 /nfs/dbraw/zinc/73/04/05/987730405.db2.gz UEASCBBBSZYWHA-SOUVJXGZSA-N -1 0 321.465 3.793 20 0 DHADRM CCc1c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cnn1CCC(C)C ZINC001597420045 987730619 /nfs/dbraw/zinc/73/06/19/987730619.db2.gz UEASCBBBSZYWHA-RRFJBIMHSA-N -1 0 321.465 3.793 20 0 DHADRM CCc1cc(C(=O)N[C@H](CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429565 987765306 /nfs/dbraw/zinc/76/53/06/987765306.db2.gz JSAQBHUMUYVHGN-CYBMUJFWSA-N -1 0 317.410 3.571 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccccc1 ZINC001597446869 987825395 /nfs/dbraw/zinc/82/53/95/987825395.db2.gz LUFLMJURDLZCRM-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001597450302 987839548 /nfs/dbraw/zinc/83/95/48/987839548.db2.gz VFSUAKNJDIPPMJ-LBPRGKRZSA-N -1 0 311.328 3.711 20 0 DHADRM O=S(=O)([N-]c1cc(C2CCCCCC2)[nH]n1)c1ccccc1 ZINC000474413124 1015339531 /nfs/dbraw/zinc/33/95/31/1015339531.db2.gz OKLRTCFHNIXVMU-UHFFFAOYSA-N -1 0 319.430 3.648 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC=CC12CCCC2 ZINC001597453928 987858520 /nfs/dbraw/zinc/85/85/20/987858520.db2.gz WHEPVCNPMGPZPD-UHFFFAOYSA-N -1 0 314.385 3.664 20 0 DHADRM CC(C)(C)[C@@H](NCc1ncc(C(=O)[O-])s1)c1cccc(F)c1 ZINC001589719802 987880330 /nfs/dbraw/zinc/88/03/30/987880330.db2.gz ITWUWJCNCMXLJR-AWEZNQCLSA-N -1 0 322.405 3.857 20 0 DHADRM CC(C)(C)[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC001589722416 987890019 /nfs/dbraw/zinc/89/00/19/987890019.db2.gz GBDNPLSSLBNLCD-WTNCMQEWSA-N -1 0 317.414 3.567 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CF)cc1 ZINC001597464694 987898612 /nfs/dbraw/zinc/89/86/12/987898612.db2.gz OQMIEILWVMFQIA-UHFFFAOYSA-N -1 0 301.317 3.669 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2n1C ZINC001597465372 987903275 /nfs/dbraw/zinc/90/32/75/987903275.db2.gz VGAGFXSUNLILBB-UHFFFAOYSA-N -1 0 322.364 3.691 20 0 DHADRM CS[C@H](C)CCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599784939 987905062 /nfs/dbraw/zinc/90/50/62/987905062.db2.gz YKWMKSNYQOGCHE-NOZJJQNGSA-N -1 0 316.806 3.541 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1coc(C(F)F)c1 ZINC001597466276 987911740 /nfs/dbraw/zinc/91/17/40/987911740.db2.gz QAVMWHFJUILRPS-UHFFFAOYSA-N -1 0 309.268 3.730 20 0 DHADRM CC(C)(C)C1CCC(CN2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC001589726645 987911960 /nfs/dbraw/zinc/91/19/60/987911960.db2.gz ODGCXMIWMHCYFV-WXRRBKDZSA-N -1 0 303.393 3.633 20 0 DHADRM CC(C)(C)C1CC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC001589727117 987920776 /nfs/dbraw/zinc/92/07/76/987920776.db2.gz XDNBIIVKZHFJLH-PIMMBPRGSA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001589727773 987924621 /nfs/dbraw/zinc/92/46/21/987924621.db2.gz BDOYHFDRGPDQJV-ZIAGYGMSSA-N -1 0 318.417 3.505 20 0 DHADRM CCc1cc(CCCOc2ccc(Cl)cc2C(=O)[O-])on1 ZINC001597471238 987930663 /nfs/dbraw/zinc/93/06/63/987930663.db2.gz YFJRYHTXLXYKBD-UHFFFAOYSA-N -1 0 309.749 3.600 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589729149 987941251 /nfs/dbraw/zinc/94/12/51/987941251.db2.gz UGSCWEOREZGTAF-DGCLKSJQSA-N -1 0 322.380 3.860 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000474427774 1015349974 /nfs/dbraw/zinc/34/99/74/1015349974.db2.gz QCTGELUNQYXCLU-NSHDSACASA-N -1 0 319.430 3.601 20 0 DHADRM CCc1cc(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1F ZINC001597482725 987981044 /nfs/dbraw/zinc/98/10/44/987981044.db2.gz WQIRLBJXCDADNG-GFCCVEGCSA-N -1 0 317.360 3.852 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001589743117 988021080 /nfs/dbraw/zinc/02/10/80/988021080.db2.gz DDLXFQLVRXZOSJ-HOCLYGCPSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001589743168 988022260 /nfs/dbraw/zinc/02/22/60/988022260.db2.gz FRSMBBOYDHQXDK-AVVWSFFYSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-] ZINC001589746149 988045041 /nfs/dbraw/zinc/04/50/41/988045041.db2.gz YJWRBUMMWXGVBV-RBSFLKMASA-N -1 0 309.450 3.599 20 0 DHADRM CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1CC ZINC001597498494 988046774 /nfs/dbraw/zinc/04/67/74/988046774.db2.gz GSVOQOAFSSENFX-QGZVFWFLSA-N -1 0 323.392 3.640 20 0 DHADRM CCc1ccc(C(=O)N2CCCc3c(C)ccc(C(=O)[O-])c32)cc1 ZINC001597499075 988051029 /nfs/dbraw/zinc/05/10/29/988051029.db2.gz YXVSYTXHEHKTSS-UHFFFAOYSA-N -1 0 323.392 3.849 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001589751856 988057833 /nfs/dbraw/zinc/05/78/33/988057833.db2.gz KZTAMTGCQSWBSY-GFCCVEGCSA-N -1 0 323.776 3.705 20 0 DHADRM CCc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1CC ZINC001597501035 988063354 /nfs/dbraw/zinc/06/33/54/988063354.db2.gz LWBAQKHJDZQHRO-UHFFFAOYSA-N -1 0 305.418 3.576 20 0 DHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474436969 1015360991 /nfs/dbraw/zinc/36/09/91/1015360991.db2.gz OVILMHUVXJYXIM-SECBINFHSA-N -1 0 309.724 3.591 20 0 DHADRM CCc1ccc(C2=CCN([C@H](C(=O)[O-])c3cccnc3)CC2)cc1 ZINC001597516861 988130177 /nfs/dbraw/zinc/13/01/77/988130177.db2.gz GWOXMSUDJNLOCT-IBGZPJMESA-N -1 0 322.408 3.559 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597531118 988190546 /nfs/dbraw/zinc/19/05/46/988190546.db2.gz WYBWWFCRUHTDRT-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CC(C)(C)N(Cc1ncc(C(=O)[O-])s1)Cc1ccc(F)cc1 ZINC001589796089 988193879 /nfs/dbraw/zinc/19/38/79/988193879.db2.gz NJFBRPGXPKPYMZ-UHFFFAOYSA-N -1 0 322.405 3.781 20 0 DHADRM CSCc1ccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599802409 988198671 /nfs/dbraw/zinc/19/86/71/988198671.db2.gz JHQIFYCEEXMNCQ-MRXNPFEDSA-N -1 0 319.401 3.797 20 0 DHADRM CSCc1cccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001599803126 988210048 /nfs/dbraw/zinc/21/00/48/988210048.db2.gz LIEKHKGUQUBENL-QWHCGFSZSA-N -1 0 318.398 3.568 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c(C(=O)[O-])c1 ZINC001597543078 988237723 /nfs/dbraw/zinc/23/77/23/988237723.db2.gz RMIHDKWRWMBFBL-NXOUGTEYSA-N -1 0 323.392 3.935 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c(C(=O)[O-])c1 ZINC001597543102 988237932 /nfs/dbraw/zinc/23/79/32/988237932.db2.gz STUVOTWTWKNSRS-UONOGXRCSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1ccc(NC(=O)N2CCCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC001597547176 988256809 /nfs/dbraw/zinc/25/68/09/988256809.db2.gz FPXNYGFBDIBUBV-LBPRGKRZSA-N -1 0 304.390 3.601 20 0 DHADRM CSc1c(F)cccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599806060 988258264 /nfs/dbraw/zinc/25/82/64/988258264.db2.gz KIAZIECQSKQQJF-UHFFFAOYSA-N -1 0 323.389 3.521 20 0 DHADRM CCc1ccc(NC(=O)c2ccc(C(C)C)nc2)c(C(=O)[O-])c1 ZINC001597550768 988269177 /nfs/dbraw/zinc/26/91/77/988269177.db2.gz LYIYYRVFKRELKT-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM CCc1ccc(NC(=O)c2cnc(C(C)C)s2)c(C(=O)[O-])c1 ZINC001597550712 988269506 /nfs/dbraw/zinc/26/95/06/988269506.db2.gz KVPXYNWIFARVEL-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1Cl ZINC001597550829 988269613 /nfs/dbraw/zinc/26/96/13/988269613.db2.gz NGUDKCPSSPIEAE-VURMDHGXSA-N -1 0 319.744 3.846 20 0 DHADRM CSc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC001599807432 988277879 /nfs/dbraw/zinc/27/78/79/988277879.db2.gz MWMXPRCFIWEOSV-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1cc(NC(=O)NC2(CC(=O)[O-])CCCC2)ccc1C ZINC001599809147 988304067 /nfs/dbraw/zinc/30/40/67/988304067.db2.gz VFOJGTKLSJAOMH-UHFFFAOYSA-N -1 0 322.430 3.626 20 0 DHADRM CCc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])cc1)CC2 ZINC001597569610 988336505 /nfs/dbraw/zinc/33/65/05/988336505.db2.gz UUORTECWKZXRMW-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM CCc1ccc2ccccc2c1CNC(=O)C[C@H](C)CC(=O)[O-] ZINC001597569653 988337403 /nfs/dbraw/zinc/33/74/03/988337403.db2.gz YCSZAFFSSVAFMJ-ZDUSSCGKSA-N -1 0 313.397 3.519 20 0 DHADRM CCc1ccc2ccccc2c1CNC(=O)C[C@@H](C)CC(=O)[O-] ZINC001597569652 988337824 /nfs/dbraw/zinc/33/78/24/988337824.db2.gz YCSZAFFSSVAFMJ-CYBMUJFWSA-N -1 0 313.397 3.519 20 0 DHADRM CCc1ccc2nc(NCc3cc(C(=O)[O-])co3)sc2c1 ZINC001597570398 988343183 /nfs/dbraw/zinc/34/31/83/988343183.db2.gz HBLIBRHAYKLPER-UHFFFAOYSA-N -1 0 302.355 3.762 20 0 DHADRM O=C([N-]O[C@@H]1CCCCO1)C1(c2cccs2)CCCCC1 ZINC000157965847 1015384889 /nfs/dbraw/zinc/38/48/89/1015384889.db2.gz ZDKGXKUWVLRWSL-CQSZACIVSA-N -1 0 309.431 3.524 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1C(=O)[O-] ZINC001599816005 988425429 /nfs/dbraw/zinc/42/54/29/988425429.db2.gz LPCZUAYPPIFMMO-OLZOCXBDSA-N -1 0 319.426 3.872 20 0 DHADRM CCc1cccc(NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001597595671 988444782 /nfs/dbraw/zinc/44/47/82/988444782.db2.gz WPZCMVNEKCFFGF-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC001599817657 988454698 /nfs/dbraw/zinc/45/46/98/988454698.db2.gz OTUOUQZRPPMARZ-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CSc1ccc(NC(=O)NCC2=CCCCC2)cc1C(=O)[O-] ZINC001599819435 988486055 /nfs/dbraw/zinc/48/60/55/988486055.db2.gz XDJUNOYRKNILTH-UHFFFAOYSA-N -1 0 320.414 3.729 20 0 DHADRM CCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001597609198 988492544 /nfs/dbraw/zinc/49/25/44/988492544.db2.gz KCJRFLVXGPPTAI-UHFFFAOYSA-N -1 0 318.398 3.639 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001597621706 988551750 /nfs/dbraw/zinc/55/17/50/988551750.db2.gz RDAKMLMIWLNJSP-ZWKOTPCHSA-N -1 0 324.376 3.585 20 0 DHADRM CSc1ccccc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001599823521 988556762 /nfs/dbraw/zinc/55/67/62/988556762.db2.gz UWDANURKPLRCSU-SECBINFHSA-N -1 0 306.339 3.618 20 0 DHADRM CSc1cccc(F)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599824010 988564984 /nfs/dbraw/zinc/56/49/84/988564984.db2.gz OHHYLDGCQNTIJT-UHFFFAOYSA-N -1 0 311.359 3.560 20 0 DHADRM CSc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1F ZINC001599824046 988565140 /nfs/dbraw/zinc/56/51/40/988565140.db2.gz ONJLQAMJDAWFSP-UHFFFAOYSA-N -1 0 319.401 3.878 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl ZINC000013169691 1015400517 /nfs/dbraw/zinc/40/05/17/1015400517.db2.gz KXPVIYYBHHTHRM-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM CCc1csc([C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001597639094 988630424 /nfs/dbraw/zinc/63/04/24/988630424.db2.gz DUYMXHPGHCKUGX-ZETCQYMHSA-N -1 0 311.794 3.625 20 0 DHADRM CCc1[nH]nc(Cl)c1CNc1cc(C(=O)[O-])c(C)cc1C ZINC001597644324 988651554 /nfs/dbraw/zinc/65/15/54/988651554.db2.gz LWPRVTPVQYCQAE-UHFFFAOYSA-N -1 0 307.781 3.553 20 0 DHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599830333 988662370 /nfs/dbraw/zinc/66/23/70/988662370.db2.gz PFTYMVHSLSEGEG-PBHICJAKSA-N -1 0 317.429 3.578 20 0 DHADRM CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597651739 988693435 /nfs/dbraw/zinc/69/34/35/988693435.db2.gz ACDQYMTYMKTYOE-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001599833292 988705469 /nfs/dbraw/zinc/70/54/69/988705469.db2.gz GECQCNMMVANRGN-AWEZNQCLSA-N -1 0 317.429 3.745 20 0 DHADRM C[C@@H](C(=O)OCc1c(F)cc(C(=O)[O-])cc1F)c1ccccc1 ZINC001599833414 988707586 /nfs/dbraw/zinc/70/75/86/988707586.db2.gz HYENUNMJOGVYSW-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCCCC1 ZINC001599840602 988821049 /nfs/dbraw/zinc/82/10/49/988821049.db2.gz VEZQNRGRBWTZHL-LLVKDONJSA-N -1 0 307.365 3.613 20 0 DHADRM Cc1ccc(F)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013255996 1015424421 /nfs/dbraw/zinc/42/44/21/1015424421.db2.gz PWTVTISYXSXIDE-SFHVURJKSA-N -1 0 315.344 3.505 20 0 DHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC001599842334 988864427 /nfs/dbraw/zinc/86/44/27/988864427.db2.gz JYQDOQNGQBINFU-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM CCc1ncsc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597710417 988965796 /nfs/dbraw/zinc/96/57/96/988965796.db2.gz IQENDPGEACACJD-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1nn([C@@H]2CC(C)(C)OC2(C)C)c(CC)c1CCC(=O)[O-] ZINC001597723348 989008002 /nfs/dbraw/zinc/00/80/02/989008002.db2.gz FRNWBHWEOYHIDS-OAHLLOKOSA-N -1 0 322.449 3.544 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ncc(C)s1)C1CC1 ZINC001597767468 989221403 /nfs/dbraw/zinc/22/14/03/989221403.db2.gz OYJFUCCABTYMAU-AWEZNQCLSA-N -1 0 320.414 3.546 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc2c1OC(C)(C)C2 ZINC001597767807 989226108 /nfs/dbraw/zinc/22/61/08/989226108.db2.gz WLZARSCKFCSFJZ-UHFFFAOYSA-N -1 0 315.369 3.866 20 0 DHADRM CCc1oc(CN2C[C@@H](CC)Oc3ccccc32)cc1C(=O)[O-] ZINC001597797195 989359804 /nfs/dbraw/zinc/35/98/04/989359804.db2.gz XEYIUYVIHYWZQT-GFCCVEGCSA-N -1 0 315.369 3.718 20 0 DHADRM CCc1oc(CNc2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC001597804733 989408319 /nfs/dbraw/zinc/40/83/19/989408319.db2.gz LDYIIJQFYRQFQR-UHFFFAOYSA-N -1 0 311.341 3.542 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001597808245 989423626 /nfs/dbraw/zinc/42/36/26/989423626.db2.gz VLOSJDPZOGRVEF-UHFFFAOYSA-N -1 0 324.332 3.842 20 0 DHADRM CCc1occc1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001597825354 989480441 /nfs/dbraw/zinc/48/04/41/989480441.db2.gz ZIGKZHOWYAOYPM-QGZVFWFLSA-N -1 0 323.348 3.551 20 0 DHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599885104 989542155 /nfs/dbraw/zinc/54/21/55/989542155.db2.gz HDDRFVQDUULGHJ-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM CCn1ccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])c1C ZINC001597902449 989778970 /nfs/dbraw/zinc/77/89/70/989778970.db2.gz MNGPQGOVCPQWHM-UHFFFAOYSA-N -1 0 324.739 3.559 20 0 DHADRM CC(C)(C)OCc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001590396631 989923034 /nfs/dbraw/zinc/92/30/34/989923034.db2.gz XNSBLIHXFXGWEI-UHFFFAOYSA-N -1 0 317.341 3.545 20 0 DHADRM CC(C)(C)c1cc(CNc2cc(F)c(C(=O)[O-])c(F)c2)no1 ZINC001590464171 990041270 /nfs/dbraw/zinc/04/12/70/990041270.db2.gz XCUFZJQVNWMIKQ-UHFFFAOYSA-N -1 0 310.300 3.561 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001590474917 990047579 /nfs/dbraw/zinc/04/75/79/990047579.db2.gz AQACWVCHTZEYLR-UHFFFAOYSA-N -1 0 317.429 3.749 20 0 DHADRM CN(C(=O)/C(F)=C\C1CCCCC1)c1ccccc1C(=O)[O-] ZINC001597991441 990093748 /nfs/dbraw/zinc/09/37/48/990093748.db2.gz MKOKJNMENDEOOP-SDNWHVSQSA-N -1 0 305.349 3.781 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001590493465 990095423 /nfs/dbraw/zinc/09/54/23/990095423.db2.gz LZXGMRJGDIVDQE-UHFFFAOYSA-N -1 0 312.365 3.830 20 0 DHADRM CN(C(=O)[C@H](F)CC1CCCCC1)c1ccccc1C(=O)[O-] ZINC001597991667 990097057 /nfs/dbraw/zinc/09/70/57/990097057.db2.gz SHVUOTROZVGSNH-CQSZACIVSA-N -1 0 307.365 3.656 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1F ZINC001590494648 990102365 /nfs/dbraw/zinc/10/23/65/990102365.db2.gz YZPLXGGMLBMREB-UHFFFAOYSA-N -1 0 324.396 3.890 20 0 DHADRM CC(C)(C)c1ccccc1COC(=O)c1ccc(C(=O)[O-])o1 ZINC001590506442 990123362 /nfs/dbraw/zinc/12/33/62/990123362.db2.gz YFSCSTNFRBNTNF-UHFFFAOYSA-N -1 0 302.326 3.632 20 0 DHADRM CC(C)(C)c1nccc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001590573503 990212799 /nfs/dbraw/zinc/21/27/99/990212799.db2.gz XMLRMOXUEGFDDV-UONOGXRCSA-N -1 0 311.385 3.706 20 0 DHADRM CC(C)(CC(=O)Nc1ccc(C(=O)[O-])cc1F)CC(F)F ZINC001590621564 990301935 /nfs/dbraw/zinc/30/19/35/990301935.db2.gz DWSGBDYJOZZULO-UHFFFAOYSA-N -1 0 303.280 3.534 20 0 DHADRM CC(C)(CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CC1 ZINC001590621974 990304795 /nfs/dbraw/zinc/30/47/95/990304795.db2.gz XOCYIRYQPHWALC-UHFFFAOYSA-N -1 0 300.358 3.631 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1csnc1-c1ccccc1 ZINC001590636811 990325666 /nfs/dbraw/zinc/32/56/66/990325666.db2.gz PWVFTJNSOICWDF-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc2ccccc2s1 ZINC001590637412 990326757 /nfs/dbraw/zinc/32/67/57/990326757.db2.gz DYLLRULNBYLNOU-UHFFFAOYSA-N -1 0 306.383 3.836 20 0 DHADRM CC(C)(CCC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001590655787 990350733 /nfs/dbraw/zinc/35/07/33/990350733.db2.gz CEXRRCITKFYWHN-GOEBONIOSA-N -1 0 317.429 3.504 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598083067 990405598 /nfs/dbraw/zinc/40/55/98/990405598.db2.gz JIHIRBUWILJPCQ-HIFRSBDPSA-N -1 0 321.392 3.811 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598089748 990431990 /nfs/dbraw/zinc/43/19/90/990431990.db2.gz YRIIZIBACYNKNC-LSDHHAIUSA-N -1 0 303.402 3.672 20 0 DHADRM CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCC1)C1CCCC1 ZINC001590722100 990495976 /nfs/dbraw/zinc/49/59/76/990495976.db2.gz JDQAYSNIQGFECH-UHFFFAOYSA-N -1 0 324.465 3.537 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000013468933 1015567748 /nfs/dbraw/zinc/56/77/48/1015567748.db2.gz HLZSKMHRVWEURS-INIZCTEOSA-N -1 0 303.402 3.535 20 0 DHADRM CC(C)(CNc1cc(C(=O)[O-])ncn1)Cc1cccc(Cl)c1 ZINC001590774147 990575568 /nfs/dbraw/zinc/57/55/68/990575568.db2.gz DAWOVFSQMVMAOA-UHFFFAOYSA-N -1 0 319.792 3.509 20 0 DHADRM CC(C)(CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001590819980 990652420 /nfs/dbraw/zinc/65/24/20/990652420.db2.gz CVABSOQRDBYJJD-UHFFFAOYSA-N -1 0 312.778 3.593 20 0 DHADRM O=C([O-])CCc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000581955141 1015584793 /nfs/dbraw/zinc/58/47/93/1015584793.db2.gz WENBFGJDTDTXNY-SFHVURJKSA-N -1 0 312.365 3.539 20 0 DHADRM CC(C)(c1noc([C@H]2CC[C@@H](C(=O)[O-])C2)n1)c1cccc(F)c1 ZINC001590908947 990878321 /nfs/dbraw/zinc/87/83/21/990878321.db2.gz PDKRYICZWWNFPZ-WDEREUQCSA-N -1 0 318.348 3.503 20 0 DHADRM CC(C)(c1nc(-c2ccc(C(=O)[O-])cc2)no1)C1CCCC1 ZINC001590909170 990879950 /nfs/dbraw/zinc/87/99/50/990879950.db2.gz UAMIOOSPRDGOIZ-UHFFFAOYSA-N -1 0 300.358 3.903 20 0 DHADRM CC(C)=CCC[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001590922003 990916313 /nfs/dbraw/zinc/91/63/13/990916313.db2.gz QHVRPJBUYLJWJI-IIDMSEBBSA-N -1 0 309.450 3.909 20 0 DHADRM CC(C)=CCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001590925036 990923874 /nfs/dbraw/zinc/92/38/74/990923874.db2.gz RLLOGNAZBHLNAE-UHFFFAOYSA-N -1 0 304.371 3.687 20 0 DHADRM CC(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001590969822 991098178 /nfs/dbraw/zinc/09/81/78/991098178.db2.gz IEGFKXSGKMXOPF-JTQLQIEISA-N -1 0 309.431 3.946 20 0 DHADRM COc1ccccc1[C@@H](C)S[C@H](C)c1nc(C(=O)[O-])co1 ZINC001599697805 991174553 /nfs/dbraw/zinc/17/45/53/991174553.db2.gz IPBMTCQDDWGYPS-NXEZZACHSA-N -1 0 307.371 3.937 20 0 DHADRM COc1ccccc1CN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599709224 991343001 /nfs/dbraw/zinc/34/30/01/991343001.db2.gz PCWZADGAUWRJIP-UHFFFAOYSA-N -1 0 319.788 3.679 20 0 DHADRM CC(C)[C@@H](Nc1nccc(C(=O)[O-])n1)c1ccccc1Cl ZINC001591036857 991367692 /nfs/dbraw/zinc/36/76/92/991367692.db2.gz ZEZSKYFYIWBQPD-CYBMUJFWSA-N -1 0 305.765 3.637 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591057754 991468442 /nfs/dbraw/zinc/46/84/42/991468442.db2.gz ISDBFIWIGMZGEE-GLEZIHRCSA-N -1 0 313.756 3.798 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001591062302 991508854 /nfs/dbraw/zinc/50/88/54/991508854.db2.gz WAEZZMMTVPJVQK-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM COc1cccnc1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599720495 991529503 /nfs/dbraw/zinc/52/95/03/991529503.db2.gz UQFDCHNOBPBDAD-UHFFFAOYSA-N -1 0 324.336 3.661 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001591081483 991593788 /nfs/dbraw/zinc/59/37/88/991593788.db2.gz ZUVZHHWFALOLFP-JGVFFNPUSA-N -1 0 316.184 3.922 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001591089100 991629493 /nfs/dbraw/zinc/62/94/93/991629493.db2.gz RIXWULZUZJAWPR-WBMJQRKESA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])cc2)CC12CC=CC2 ZINC001591098597 991703273 /nfs/dbraw/zinc/70/32/73/991703273.db2.gz HBZFXTAEMSIQRF-HNNXBMFYSA-N -1 0 314.385 3.593 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC12CCC2 ZINC001591100039 991718558 /nfs/dbraw/zinc/71/85/58/991718558.db2.gz UEMLDLCDVWSBFZ-AWEZNQCLSA-N -1 0 320.364 3.566 20 0 DHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591100199 991721415 /nfs/dbraw/zinc/72/14/15/991721415.db2.gz VDJXWZZYAQHYGZ-CYBMUJFWSA-N -1 0 320.414 3.655 20 0 DHADRM CC(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591118440 991783260 /nfs/dbraw/zinc/78/32/60/991783260.db2.gz SXQJQGGKEDFDEB-GFCCVEGCSA-N -1 0 305.157 3.708 20 0 DHADRM CC(C)C[C@H](C)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591129710 991818566 /nfs/dbraw/zinc/81/85/66/991818566.db2.gz AJEBGWRYVPKHOH-BBRMVZONSA-N -1 0 317.429 3.603 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001591134277 991838611 /nfs/dbraw/zinc/83/86/11/991838611.db2.gz RSTGMXCPQDDURU-JTQLQIEISA-N -1 0 312.435 3.516 20 0 DHADRM CC(C)C[C@H](C)OC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001591137496 991843556 /nfs/dbraw/zinc/84/35/56/991843556.db2.gz CZBZVABKXDTQFQ-AWEZNQCLSA-N -1 0 307.390 3.535 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001591143418 991869848 /nfs/dbraw/zinc/86/98/48/991869848.db2.gz RJXPTJMELAFOBX-UHFFFAOYSA-N -1 0 317.429 3.982 20 0 DHADRM C[C@H](OCC(F)(F)F)c1noc(-c2cccc(Cl)c2[O-])n1 ZINC000896610752 1015672032 /nfs/dbraw/zinc/67/20/32/1015672032.db2.gz JKIRFKKYZAQZCL-LURJTMIESA-N -1 0 322.670 3.736 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001591196453 992010960 /nfs/dbraw/zinc/01/09/60/992010960.db2.gz AYASJKHKMRZBNF-PLNGDYQASA-N -1 0 319.401 3.666 20 0 DHADRM CC(C)CC1(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001591197521 992018577 /nfs/dbraw/zinc/01/85/77/992018577.db2.gz JAQUBYNKRIILNJ-ZDUSSCGKSA-N -1 0 318.417 3.650 20 0 DHADRM CC(C)CC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCC1 ZINC001591198086 992023782 /nfs/dbraw/zinc/02/37/82/992023782.db2.gz XGGOUNYDAOBNLR-UHFFFAOYSA-N -1 0 300.358 3.903 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591205837 992030197 /nfs/dbraw/zinc/03/01/97/992030197.db2.gz KIOSAKXWHCJNGJ-QGZVFWFLSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591206530 992034963 /nfs/dbraw/zinc/03/49/63/992034963.db2.gz VOAQQNYXACFNSU-OWCLPIDISA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)CCCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591229834 992114230 /nfs/dbraw/zinc/11/42/30/992114230.db2.gz WOJBCZZWXMUXDB-UHFFFAOYSA-N -1 0 317.385 3.616 20 0 DHADRM CC(C)CCCCNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001591236330 992116692 /nfs/dbraw/zinc/11/66/92/992116692.db2.gz CMFHWURJXXTRFK-CQSZACIVSA-N -1 0 320.433 3.898 20 0 DHADRM CC(C)CCOC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591251736 992149330 /nfs/dbraw/zinc/14/93/30/992149330.db2.gz NOAGENJYJPMPBE-HNNXBMFYSA-N -1 0 313.438 3.963 20 0 DHADRM CC(C)CCOc1ccccc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001591266052 992176343 /nfs/dbraw/zinc/17/63/43/992176343.db2.gz MQNKOQIASPMPAJ-UHFFFAOYSA-N -1 0 302.374 3.750 20 0 DHADRM CC(C)CN(C(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591281646 992217905 /nfs/dbraw/zinc/21/79/05/992217905.db2.gz WGPYIKPLQMBKFQ-GFCCVEGCSA-N -1 0 311.809 3.830 20 0 DHADRM CC(C)CN(C(=O)CCSc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281731 992219023 /nfs/dbraw/zinc/21/90/23/992219023.db2.gz ZFCQNNJJZBSKJP-UHFFFAOYSA-N -1 0 323.458 3.517 20 0 DHADRM CC(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591286882 992225772 /nfs/dbraw/zinc/22/57/72/992225772.db2.gz AGFRADSGNVALJQ-UHFFFAOYSA-N -1 0 300.358 3.658 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC[Si](C)(C)C ZINC001591309170 992265113 /nfs/dbraw/zinc/26/51/13/992265113.db2.gz OIRKDJLTJDXWCJ-UHFFFAOYSA-N -1 0 315.530 3.700 20 0 DHADRM CS[C@@H](C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001599779595 992347929 /nfs/dbraw/zinc/34/79/29/992347929.db2.gz BTVFFJBXKBHIQA-QWHCGFSZSA-N -1 0 310.415 3.523 20 0 DHADRM CS[C@H](C(=O)Nc1sc(C)cc1C(=O)[O-])c1ccccc1 ZINC001599780767 992361629 /nfs/dbraw/zinc/36/16/29/992361629.db2.gz KROMVGXRJNTSQD-LBPRGKRZSA-N -1 0 321.423 3.798 20 0 DHADRM CC(C)COc1ccccc1C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001591410334 992488186 /nfs/dbraw/zinc/48/81/86/992488186.db2.gz WRCISWBTOQGJNR-UHFFFAOYSA-N -1 0 320.385 3.522 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1 ZINC001598509117 992546124 /nfs/dbraw/zinc/54/61/24/992546124.db2.gz BBFJOXDDGQPNPI-UHFFFAOYSA-N -1 0 320.186 3.784 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)OCC1CCCCC1 ZINC001598512792 992580544 /nfs/dbraw/zinc/58/05/44/992580544.db2.gz YUOXEBQDHFKCPK-UHFFFAOYSA-N -1 0 305.374 3.534 20 0 DHADRM CC(C)Cc1c[nH]c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001591475856 992591670 /nfs/dbraw/zinc/59/16/70/992591670.db2.gz KISMHFHIDROFOE-UHFFFAOYSA-N -1 0 320.776 3.817 20 0 DHADRM CC(C)Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)s1 ZINC001591477741 992600191 /nfs/dbraw/zinc/60/01/91/992600191.db2.gz ZNXJTVVOROPLJT-UHFFFAOYSA-N -1 0 323.439 3.636 20 0 DHADRM CC(C)Cc1ccc(CCCC(=O)N(C)CCCC(=O)[O-])cc1 ZINC001591484380 992610341 /nfs/dbraw/zinc/61/03/41/992610341.db2.gz WUFUJKQFMLBICG-UHFFFAOYSA-N -1 0 319.445 3.531 20 0 DHADRM CC(C)Cc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591488206 992615014 /nfs/dbraw/zinc/61/50/14/992615014.db2.gz AXCYLRMOPAULMT-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)Cc1ccc([C@H](C)C(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC001591489302 992619718 /nfs/dbraw/zinc/61/97/18/992619718.db2.gz PVBIRWYGOVKARP-HNNXBMFYSA-N -1 0 319.445 3.558 20 0 DHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598526064 992722336 /nfs/dbraw/zinc/72/23/36/992722336.db2.gz HIMLHUJITUGPII-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])o1)c1cnc2ccccc2c1 ZINC001591542997 992724919 /nfs/dbraw/zinc/72/49/19/992724919.db2.gz VLSNZJLXDSSRCM-UHFFFAOYSA-N -1 0 324.336 3.581 20 0 DHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1ccsc1 ZINC001591543679 992728171 /nfs/dbraw/zinc/72/81/71/992728171.db2.gz NUFAPMQGEKFATA-SNVBAGLBSA-N -1 0 307.371 3.651 20 0 DHADRM CC(C)N(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001591543750 992729277 /nfs/dbraw/zinc/72/92/77/992729277.db2.gz RYNCZWUSIUNACV-UHFFFAOYSA-N -1 0 315.344 3.508 20 0 DHADRM CN(Cc1ccccc1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598527706 992741164 /nfs/dbraw/zinc/74/11/64/992741164.db2.gz WYUINNPNUGHORO-HNNXBMFYSA-N -1 0 307.752 3.737 20 0 DHADRM CN(Cc1cccc(C(=O)[O-])c1Cl)OCc1ccccc1 ZINC001598527989 992743972 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ZINC000776673432 1022263713 /nfs/dbraw/zinc/26/37/13/1022263713.db2.gz PSZWJHYOCGQKTI-AWEZNQCLSA-N -1 0 317.410 3.565 20 0 DHADRM COCOc1cccc(Cl)c1Nc1ccc(C(=O)[O-])cc1 ZINC001214311503 1022299221 /nfs/dbraw/zinc/29/92/21/1022299221.db2.gz NCWHKSFSSCGNMO-UHFFFAOYSA-N -1 0 307.733 3.765 20 0 DHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCCC2)[C@@H]2CCC[C@H]21 ZINC000378751676 1022310248 /nfs/dbraw/zinc/31/02/48/1022310248.db2.gz VFEQBOLGMXJGFA-HUUCEWRRSA-N -1 0 321.461 3.839 20 0 DHADRM Cc1nc(N[C@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000416436662 1022326558 /nfs/dbraw/zinc/32/65/58/1022326558.db2.gz DLEKMPHCPOWBHI-CQSZACIVSA-N -1 0 304.415 3.648 20 0 DHADRM CSc1cc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])ccc1Cl ZINC000634842080 1022354241 /nfs/dbraw/zinc/35/42/41/1022354241.db2.gz GBUZRZIDVRGGDZ-VHSXEESVSA-N -1 0 313.806 3.501 20 0 DHADRM COc1ccc(-c2nn[nH]n2)cc1N[C@@H]1C[C@H](C)c2ccccc21 ZINC001169383138 1022387092 /nfs/dbraw/zinc/38/70/92/1022387092.db2.gz ZYPJZUXXEUHRJT-XHDPSFHLSA-N -1 0 321.384 3.536 20 0 DHADRM Cc1cc(Nc2ccnn2-c2cccc(F)c2)ccc1C(=O)[O-] ZINC001211652499 1022389208 /nfs/dbraw/zinc/38/92/08/1022389208.db2.gz BAEPFVCVZMQWMI-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM Cc1nc([C@H](C)NC(=O)CCCC2CCCC2)sc1C(=O)[O-] ZINC000237594569 1022452083 /nfs/dbraw/zinc/45/20/83/1022452083.db2.gz MZIUBPJMTBPAAN-NSHDSACASA-N -1 0 324.446 3.687 20 0 DHADRM CC[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000620964505 1022456698 /nfs/dbraw/zinc/45/66/98/1022456698.db2.gz GQEYYJKAXMMYDB-NSHDSACASA-N -1 0 305.324 3.594 20 0 DHADRM O=C(N[C@H]1CCSc2ccccc21)c1c([O-])cc(F)cc1F ZINC000620968811 1022463074 /nfs/dbraw/zinc/46/30/74/1022463074.db2.gz NSKJDVGPSJFSPJ-LBPRGKRZSA-N -1 0 321.348 3.637 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C/C1CCCCC1 ZINC000237643335 1022473878 /nfs/dbraw/zinc/47/38/78/1022473878.db2.gz CFTIJHLXJGCCNO-FLVLSHQESA-N -1 0 315.413 3.764 20 0 DHADRM O=C(Nc1ccc2c(c1)CCCC2)c1nc[nH]c1C(F)(F)F ZINC000854745392 1022519901 /nfs/dbraw/zinc/51/99/01/1022519901.db2.gz QMRCRPKMSUAEGS-UHFFFAOYSA-N -1 0 309.291 3.560 20 0 DHADRM Oc1cccnc1CNc1cc(C(F)(F)F)cc2[nH]ccc21 ZINC001169731221 1022525447 /nfs/dbraw/zinc/52/54/47/1022525447.db2.gz DPZFBGVXRHJBMS-UHFFFAOYSA-N -1 0 307.275 3.899 20 0 DHADRM Oc1cccnc1CNc1nc2ccccc2cc1C(F)(F)F ZINC001169732107 1022525958 /nfs/dbraw/zinc/52/59/58/1022525958.db2.gz IBDKQUJGYJJWOX-UHFFFAOYSA-N -1 0 319.286 3.966 20 0 DHADRM Cc1ccc2c(F)c(F)cc(NCc3ncccc3O)c2n1 ZINC001169731731 1022526220 /nfs/dbraw/zinc/52/62/20/1022526220.db2.gz FDOPBKQEYSSOJU-UHFFFAOYSA-N -1 0 301.296 3.534 20 0 DHADRM COc1cc(Nc2ccc(Cl)c(O)c2)ccc1OC1COC1 ZINC001212594319 1022526335 /nfs/dbraw/zinc/52/63/35/1022526335.db2.gz WKZYOACZBMXFTM-UHFFFAOYSA-N -1 0 321.760 3.575 20 0 DHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCCCCCCC1 ZINC000854843849 1022535485 /nfs/dbraw/zinc/53/54/85/1022535485.db2.gz ZUPBJTOOVNFOLV-UHFFFAOYSA-N -1 0 304.415 3.913 20 0 DHADRM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(F)c(F)c1[O-] ZINC000854901599 1022543442 /nfs/dbraw/zinc/54/34/42/1022543442.db2.gz CZUULTZKTFNGIQ-ZCFIWIBFSA-N -1 0 310.127 3.583 20 0 DHADRM CC1(C)C[C@H](N=c2nc(C3CC3)[n-]s2)c2cc(F)ccc2O1 ZINC000651415564 1022552627 /nfs/dbraw/zinc/55/26/27/1022552627.db2.gz HUWGZTWCEVVOTJ-LBPRGKRZSA-N -1 0 319.405 3.691 20 0 DHADRM CC(C)CCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000766845264 1022558553 /nfs/dbraw/zinc/55/85/53/1022558553.db2.gz ABHNKJZVLRCXAG-ZDUSSCGKSA-N -1 0 311.447 3.987 20 0 DHADRM COc1cc(C(=O)N(C)C2CCCCCCC2)cc(OC)c1O ZINC000186728605 1022597411 /nfs/dbraw/zinc/59/74/11/1022597411.db2.gz LNZPXNITXIPTFA-UHFFFAOYSA-N -1 0 321.417 3.594 20 0 DHADRM CC/C(=C/C(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(C)cc1 ZINC000766920358 1022608631 /nfs/dbraw/zinc/60/86/31/1022608631.db2.gz OPCLVUCACLYXTC-VBKFSLOCSA-N -1 0 315.413 3.502 20 0 DHADRM CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccs1 ZINC000616023037 1022618630 /nfs/dbraw/zinc/61/86/30/1022618630.db2.gz QRYKFUHPKUZOCG-MCIONIFRSA-N -1 0 321.442 3.619 20 0 DHADRM O=C(c1c([O-])cccc1Cl)N1CCc2cc(Cl)ccc21 ZINC000804344346 1022621236 /nfs/dbraw/zinc/62/12/36/1022621236.db2.gz HAVRGGJZOZPNDI-UHFFFAOYSA-N -1 0 308.164 3.902 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000767171325 1022652928 /nfs/dbraw/zinc/65/29/28/1022652928.db2.gz WCNDSTHXDZXACW-DOTOQJQBSA-N -1 0 319.445 3.886 20 0 DHADRM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(Br)c1[O-] ZINC000616165709 1022653093 /nfs/dbraw/zinc/65/30/93/1022653093.db2.gz UKQUBMJXAKOYKK-SECBINFHSA-N -1 0 312.207 3.558 20 0 DHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000855932841 1022724683 /nfs/dbraw/zinc/72/46/83/1022724683.db2.gz QZJXBNDHYHYECS-GHMZBOCLSA-N -1 0 304.415 3.767 20 0 DHADRM CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000621355036 1022734944 /nfs/dbraw/zinc/73/49/44/1022734944.db2.gz TVQVSUSYDVSCPP-IAGOWNOFSA-N -1 0 311.381 3.512 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC[C@@H](C)c1ccccc1 ZINC000263532922 1022741216 /nfs/dbraw/zinc/74/12/16/1022741216.db2.gz NGLFYNAAVUDCBS-CQSZACIVSA-N -1 0 305.418 3.720 20 0 DHADRM CCCC[C@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000621536082 1022781915 /nfs/dbraw/zinc/78/19/15/1022781915.db2.gz ZTTWMTGKLKELHD-AWEZNQCLSA-N -1 0 309.406 3.707 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000825879983 1033080493 /nfs/dbraw/zinc/08/04/93/1033080493.db2.gz FUCBGHWQEFJOED-DYEKYZERSA-N -1 0 304.390 3.780 20 0 DHADRM CCCC[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)C ZINC000621539256 1022789129 /nfs/dbraw/zinc/78/91/29/1022789129.db2.gz IYOSZSKEULOVPH-OAHLLOKOSA-N -1 0 317.429 3.732 20 0 DHADRM CCCC[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)C ZINC000621539255 1022789486 /nfs/dbraw/zinc/78/94/86/1022789486.db2.gz IYOSZSKEULOVPH-HNNXBMFYSA-N -1 0 317.429 3.732 20 0 DHADRM CCc1nc(C[NH2+]Cc2cc(C)cc(Cl)c2)ccc1C(=O)[O-] ZINC000417563448 1022789353 /nfs/dbraw/zinc/78/93/53/1022789353.db2.gz JLKIELQNMJTHDW-UHFFFAOYSA-N -1 0 318.804 3.594 20 0 DHADRM Cc1cccc([C@@H](NCc2ncc(C(C)C)s2)C(=O)[O-])c1C ZINC000417567543 1022792641 /nfs/dbraw/zinc/79/26/41/1022792641.db2.gz SKMVFUCMTANZLD-MRXNPFEDSA-N -1 0 318.442 3.799 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579416 1022795301 /nfs/dbraw/zinc/79/53/01/1022795301.db2.gz IILLLQWRNSSJAS-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CC(C)(C)CCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621587434 1022796028 /nfs/dbraw/zinc/79/60/28/1022796028.db2.gz BTZWMYCGUGXNPV-GJZGRUSLSA-N -1 0 303.402 3.630 20 0 DHADRM CCCc1csc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)n1 ZINC000417583637 1022796316 /nfs/dbraw/zinc/79/63/16/1022796316.db2.gz MGDDRQQFPLJUOS-INIZCTEOSA-N -1 0 318.442 3.574 20 0 DHADRM O=C([O-])c1ccnc(/C=C/c2ccc(OCC(F)(F)F)cc2)c1 ZINC000671139099 1022801104 /nfs/dbraw/zinc/80/11/04/1022801104.db2.gz ZBUYFRGOPHPJRR-DAFODLJHSA-N -1 0 323.270 3.891 20 0 DHADRM [O-]c1c(F)cc(-c2noc(C3CCC3)n2)cc1Br ZINC000621808879 1022893181 /nfs/dbraw/zinc/89/31/81/1022893181.db2.gz ANASNMHOYJTMAK-UHFFFAOYSA-N -1 0 313.126 3.611 20 0 DHADRM C/C(=C/C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccs1 ZINC000856925092 1022901791 /nfs/dbraw/zinc/90/17/91/1022901791.db2.gz LCQLXYCRCDXMEP-UKVQZPPCSA-N -1 0 321.442 3.501 20 0 DHADRM CSc1c(F)cccc1[N-]C(=O)c1nnc(C(C)C)s1 ZINC000617274557 1022904403 /nfs/dbraw/zinc/90/44/03/1022904403.db2.gz ASXLXVUYDWKWNY-UHFFFAOYSA-N -1 0 311.407 3.775 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCC3(CCCCC3)CC2)o1 ZINC000263570059 1022949183 /nfs/dbraw/zinc/94/91/83/1022949183.db2.gz HZKBOZWVTITLAI-UHFFFAOYSA-N -1 0 305.374 3.554 20 0 DHADRM Cc1oc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2c1C ZINC000263580384 1023022748 /nfs/dbraw/zinc/02/27/48/1023022748.db2.gz VXCKHKJWOOETQB-QWHCGFSZSA-N -1 0 315.369 3.879 20 0 DHADRM CCON(CC1CCCCC1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000857532733 1023031726 /nfs/dbraw/zinc/03/17/26/1023031726.db2.gz VVQPFYDWVZZNCD-UHFFFAOYSA-N -1 0 313.344 3.644 20 0 DHADRM CCCC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000314189549 1023031666 /nfs/dbraw/zinc/03/16/66/1023031666.db2.gz GCZSFDJQLPCWSU-CQSZACIVSA-N -1 0 323.820 3.521 20 0 DHADRM O=C([N-]C1(c2cccc(Cl)c2)CCC1)C(F)(F)C(F)F ZINC000857546695 1023033513 /nfs/dbraw/zinc/03/35/13/1023033513.db2.gz FCEKRLWZBAMKMB-UHFFFAOYSA-N -1 0 309.690 3.736 20 0 DHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659157804 1023054573 /nfs/dbraw/zinc/05/45/73/1023054573.db2.gz ZHXROZGQXYJWKQ-CYBMUJFWSA-N -1 0 317.772 3.573 20 0 DHADRM COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622272736 1023091166 /nfs/dbraw/zinc/09/11/66/1023091166.db2.gz GACXOMKTZCEOTH-UHFFFAOYSA-N -1 0 311.259 3.672 20 0 DHADRM CCN(C(=O)c1ccc([O-])c(Cl)c1)c1ccccc1OC ZINC000622334230 1023117270 /nfs/dbraw/zinc/11/72/70/1023117270.db2.gz CFDSVWONWHDUIC-UHFFFAOYSA-N -1 0 305.761 3.721 20 0 DHADRM COc1c(Cl)cccc1NC(=O)c1c([O-])cccc1Cl ZINC000769720185 1023200789 /nfs/dbraw/zinc/20/07/89/1023200789.db2.gz PWODPTVTSMSFCQ-UHFFFAOYSA-N -1 0 312.152 3.960 20 0 DHADRM COCCOc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211658802 1023280572 /nfs/dbraw/zinc/28/05/72/1023280572.db2.gz ZXBAYBSGUDVETN-UHFFFAOYSA-N -1 0 319.332 3.601 20 0 DHADRM CC(C)c1ccc(C(C)(C)NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000659165594 1023299379 /nfs/dbraw/zinc/29/93/79/1023299379.db2.gz AMUKHDHBEDLOSB-UHFFFAOYSA-N -1 0 305.418 3.662 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647697371 1023369887 /nfs/dbraw/zinc/36/98/87/1023369887.db2.gz FIVBQHLVSISRIE-UHFFFAOYSA-N -1 0 318.417 3.530 20 0 DHADRM CC(C)c1ccc(C(C)(C)NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000659168000 1023382848 /nfs/dbraw/zinc/38/28/48/1023382848.db2.gz SZIYIRMBUGVGRG-ZDUSSCGKSA-N -1 0 305.418 3.662 20 0 DHADRM Cc1nc(NC2CC2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000771022382 1023387655 /nfs/dbraw/zinc/38/76/55/1023387655.db2.gz ZWHFSKCTGNFENI-UHFFFAOYSA-N -1 0 323.805 3.637 20 0 DHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)CCC ZINC000771252496 1023415241 /nfs/dbraw/zinc/41/52/41/1023415241.db2.gz JPXPXUDDSUJXFC-UHFFFAOYSA-N -1 0 323.458 3.635 20 0 DHADRM Cc1cc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)ccc1C(=O)[O-] ZINC001211663579 1023444755 /nfs/dbraw/zinc/44/47/55/1023444755.db2.gz QNWXIXRHZPYUMG-UHFFFAOYSA-N -1 0 322.364 3.555 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccnc(Cl)c1F ZINC000771506556 1023446444 /nfs/dbraw/zinc/44/64/44/1023446444.db2.gz VYSFIIXXCNORPH-UHFFFAOYSA-N -1 0 319.094 3.625 20 0 DHADRM O=C([N-]O[C@@H]1CCCCO1)C1(Sc2ccccc2)CCCC1 ZINC000116742581 1033139450 /nfs/dbraw/zinc/13/94/50/1033139450.db2.gz AWIPDGMYMDCNCS-OAHLLOKOSA-N -1 0 321.442 3.666 20 0 DHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCCC2(CC2)C1 ZINC000184117101 1023562170 /nfs/dbraw/zinc/56/21/70/1023562170.db2.gz VIOQPHFEPBPIOP-UHFFFAOYSA-N -1 0 300.185 3.715 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc2c(Cl)cccc2n1 ZINC000662893586 1023652295 /nfs/dbraw/zinc/65/22/95/1023652295.db2.gz MBBNLTDDHMWSQL-MNOVXSKESA-N -1 0 304.777 3.578 20 0 DHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2c(Cl)cccc12 ZINC000662893056 1023652614 /nfs/dbraw/zinc/65/26/14/1023652614.db2.gz ICMHESHKIOSZJB-QWRGUYRKSA-N -1 0 304.777 3.578 20 0 DHADRM O=c1c(-c2cc(Cl)c([O-])c(Cl)c2)cccn1CC1CC1 ZINC001242852766 1023689304 /nfs/dbraw/zinc/68/93/04/1023689304.db2.gz BPASRWYFSWUUAC-UHFFFAOYSA-N -1 0 310.180 3.938 20 0 DHADRM COC(=O)c1ncc(-c2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001242853729 1023692766 /nfs/dbraw/zinc/69/27/66/1023692766.db2.gz TXGHJRIMDWCSFQ-UHFFFAOYSA-N -1 0 316.115 3.687 20 0 DHADRM Cc1cc2nsnc2cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203331836 1023730913 /nfs/dbraw/zinc/73/09/13/1023730913.db2.gz JJTCQOAIFNYMQE-UHFFFAOYSA-N -1 0 321.308 3.720 20 0 DHADRM CC(C)[C@H](Nc1cccc(S(=O)(=O)[O-])c1)c1ccc(F)cc1 ZINC001170068735 1023762233 /nfs/dbraw/zinc/76/22/33/1023762233.db2.gz XSSYRCKEHAAKOG-INIZCTEOSA-N -1 0 323.389 3.882 20 0 DHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000236752750 1023769352 /nfs/dbraw/zinc/76/93/52/1023769352.db2.gz HIZFOFIBSAUOKE-UONOGXRCSA-N -1 0 305.418 3.673 20 0 DHADRM Cc1ccc2c(c1)CCN2C(=O)CCCc1ccc(O)c(F)c1 ZINC000787210099 1023775053 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Cc1ccc(C)c(C(=O)N[C@]2(C)CCCC[C@@H]2C)c1C(=O)[O-] ZINC000308423497 1023945899 /nfs/dbraw/zinc/94/58/99/1023945899.db2.gz RUDNRWMQWHJNKX-SCLBCKFNSA-N -1 0 303.402 3.700 20 0 DHADRM CCN(Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H](C)C(=O)[O-] ZINC000662215241 1023984198 /nfs/dbraw/zinc/98/41/98/1023984198.db2.gz IZZYAKXCQPUIPF-LLVKDONJSA-N -1 0 322.792 3.598 20 0 DHADRM CC(C)c1ncsc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000882735339 1024114219 /nfs/dbraw/zinc/11/42/19/1024114219.db2.gz CXXVXOSPJHYTQB-UHFFFAOYSA-N -1 0 302.465 3.589 20 0 DHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(C)cc2C)c1OC ZINC000789902938 1024188899 /nfs/dbraw/zinc/18/88/99/1024188899.db2.gz SIHJKUNSJVWXSM-UHFFFAOYSA-N -1 0 315.369 3.631 20 0 DHADRM C[C@H](CCc1ccccc1F)C(=O)NCCCCCCC(=O)[O-] ZINC000268921255 1024195017 /nfs/dbraw/zinc/19/50/17/1024195017.db2.gz AGIMOABKYNYCLB-CQSZACIVSA-N -1 0 323.408 3.546 20 0 DHADRM CC[C@@H](CC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC000268922658 1024196701 /nfs/dbraw/zinc/19/67/01/1024196701.db2.gz CDONQYHZWMGROR-HNNXBMFYSA-N -1 0 305.418 3.722 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1C ZINC000663365098 1024214923 /nfs/dbraw/zinc/21/49/23/1024214923.db2.gz GCCKARMZTVFEMI-GFCCVEGCSA-N -1 0 324.808 3.579 20 0 DHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1[O-] ZINC001625954147 1024307132 /nfs/dbraw/zinc/30/71/32/1024307132.db2.gz UUKFBKBOUOHLDB-MRXNPFEDSA-N -1 0 301.361 3.528 20 0 DHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1CC=CCC1 ZINC000531751819 1024313676 /nfs/dbraw/zinc/31/36/76/1024313676.db2.gz AQTXBLXYAJZCAT-VIFPVBQESA-N -1 0 321.423 3.634 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC000643341186 1024328494 /nfs/dbraw/zinc/32/84/94/1024328494.db2.gz ZTFZJZCAIWMJMC-UHFFFAOYSA-N -1 0 316.184 3.967 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000237578139 1024377338 /nfs/dbraw/zinc/37/73/38/1024377338.db2.gz UFBPVBGERNCVHX-KRWDZBQOSA-N -1 0 307.365 3.826 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000317059733 1024434306 /nfs/dbraw/zinc/43/43/06/1024434306.db2.gz FFJJMUIFACBVML-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM Nc1c(Cl)cc(NC(=O)c2c([O-])cccc2F)cc1Cl ZINC000132579213 1024486648 /nfs/dbraw/zinc/48/66/48/1024486648.db2.gz PRNJYODJHHDKIZ-UHFFFAOYSA-N -1 0 315.131 3.673 20 0 DHADRM CC[C@@H](C)n1ncc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000791582951 1024519363 /nfs/dbraw/zinc/51/93/63/1024519363.db2.gz KLKRNZPJKVEUGZ-SECBINFHSA-N -1 0 307.781 3.774 20 0 DHADRM CC(C)(CNC(=O)NCc1ccc(O)c(Cl)c1)CC(F)F ZINC000883811754 1024521759 /nfs/dbraw/zinc/52/17/59/1024521759.db2.gz WDDRATWCIMYECX-UHFFFAOYSA-N -1 0 320.767 3.526 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2c(F)cccc2Cl)s[n-]1 ZINC000337887506 1033218478 /nfs/dbraw/zinc/21/84/78/1033218478.db2.gz YYEDTPSDUZUQJT-YUMQZZPRSA-N -1 0 315.801 3.633 20 0 DHADRM O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1O ZINC000029088798 1024571821 /nfs/dbraw/zinc/57/18/21/1024571821.db2.gz CGKANKKXRNLBMA-UHFFFAOYSA-N -1 0 303.387 3.544 20 0 DHADRM C[C@@H](CC(=O)[O-])c1ccc(NC(=O)N(C)CC(C)(C)C)cc1 ZINC000319102588 1024663917 /nfs/dbraw/zinc/66/39/17/1024663917.db2.gz FGAPOWBKXDNWEP-LBPRGKRZSA-N -1 0 306.406 3.775 20 0 DHADRM CC(C)c1ccccc1NC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000319411079 1024668475 /nfs/dbraw/zinc/66/84/75/1024668475.db2.gz CQZXVZHLVOXMEB-UHFFFAOYSA-N -1 0 304.390 3.671 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2cccc(OC(C)C)c2)s[n-]1 ZINC000337920847 1033229624 /nfs/dbraw/zinc/22/96/24/1033229624.db2.gz ZQHIVKZZFOJOMD-RYUDHWBXSA-N -1 0 321.446 3.628 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2cccc(OC(C)C)c2)s[n-]1 ZINC000337920846 1033230738 /nfs/dbraw/zinc/23/07/38/1033230738.db2.gz ZQHIVKZZFOJOMD-NWDGAFQWSA-N -1 0 321.446 3.628 20 0 DHADRM CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000321210717 1024721936 /nfs/dbraw/zinc/72/19/36/1024721936.db2.gz IOMCZEMWIQISBH-UHFFFAOYSA-N -1 0 312.369 3.681 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000349728499 1024743535 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CC1(C)CCC[C@@H](C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC000263170889 1024823598 /nfs/dbraw/zinc/82/35/98/1024823598.db2.gz JIEUDKKMSFBDFQ-GFCCVEGCSA-N -1 0 307.365 3.608 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000653556451 1024838197 /nfs/dbraw/zinc/83/81/97/1024838197.db2.gz KEBJFECDDPYKPZ-ZIAGYGMSSA-N -1 0 317.429 3.773 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1OC(C)C ZINC000350868773 1024861318 /nfs/dbraw/zinc/86/13/18/1024861318.db2.gz IXMMVSQAQMTUAY-UHFFFAOYSA-N -1 0 311.428 3.645 20 0 DHADRM O=C([O-])c1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1 ZINC000321483100 1024926537 /nfs/dbraw/zinc/92/65/37/1024926537.db2.gz JFVAHWNMKCQRMP-UHFFFAOYSA-N -1 0 314.360 3.736 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263401340 1024963705 /nfs/dbraw/zinc/96/37/05/1024963705.db2.gz IZRAIVPGLJRLLC-OAHLLOKOSA-N -1 0 324.302 3.555 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC001299453787 1024969704 /nfs/dbraw/zinc/96/97/04/1024969704.db2.gz WMBUHLNERZKEAJ-UHFFFAOYSA-N -1 0 314.819 3.785 20 0 DHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc2sccc2c1 ZINC000263468042 1025022543 /nfs/dbraw/zinc/02/25/43/1025022543.db2.gz RJABSNGVJOAMSR-KGLIPLIRSA-N -1 0 317.410 3.665 20 0 DHADRM CCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(C)n1 ZINC000353884613 1025280406 /nfs/dbraw/zinc/28/04/06/1025280406.db2.gz AZFUMQYCUVRXDF-UHFFFAOYSA-N -1 0 308.740 3.703 20 0 DHADRM Cc1cc2c[nH]nc2c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000353887428 1025280636 /nfs/dbraw/zinc/28/06/36/1025280636.db2.gz IXNHHMHLQXOMCA-UHFFFAOYSA-N -1 0 319.723 3.622 20 0 DHADRM CC(C)(C)CN(C(=O)c1cccc(F)c1[O-])c1ccccn1 ZINC001129622581 1025360967 /nfs/dbraw/zinc/36/09/67/1025360967.db2.gz UWSDJFJOHHPQCM-UHFFFAOYSA-N -1 0 302.349 3.619 20 0 DHADRM CC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000325409446 1025371906 /nfs/dbraw/zinc/37/19/06/1025371906.db2.gz JYEXCVFLUXGYRE-WBVHZDCISA-N -1 0 323.392 3.785 20 0 DHADRM O=C([O-])c1ccc(-c2nc3ccccc3n2CC(F)(F)F)cc1 ZINC000320332854 1025435504 /nfs/dbraw/zinc/43/55/04/1025435504.db2.gz YXKKKXQKECHYLN-UHFFFAOYSA-N -1 0 320.270 3.964 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)C1 ZINC000237606182 1025452273 /nfs/dbraw/zinc/45/22/73/1025452273.db2.gz FVHAVXWAFWNKQG-AGIUHOORSA-N -1 0 309.431 3.597 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1cccs1 ZINC000237488751 1025455233 /nfs/dbraw/zinc/45/52/33/1025455233.db2.gz BYJKSIFZFGDMKJ-OALRPVAKSA-N -1 0 301.367 3.588 20 0 DHADRM Cc1cc(C)cc(CCNC(=O)c2cccc(Cl)c2[O-])c1 ZINC001126360159 1025800238 /nfs/dbraw/zinc/80/02/38/1025800238.db2.gz UUPUVYUNLMAFBU-UHFFFAOYSA-N -1 0 303.789 3.635 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2cnc(C(F)(F)F)nc2)c1 ZINC001211960518 1025840587 /nfs/dbraw/zinc/84/05/87/1025840587.db2.gz DOJOFQDKCKESET-UHFFFAOYSA-N -1 0 317.654 3.591 20 0 DHADRM Cc1nc2ccccn2c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960815 1025842856 /nfs/dbraw/zinc/84/28/56/1025842856.db2.gz NYBPWDCMNNHNCH-UHFFFAOYSA-N -1 0 301.733 3.738 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2cnc(C(F)(F)F)cn2)c1 ZINC001211961171 1025845341 /nfs/dbraw/zinc/84/53/41/1025845341.db2.gz YKBZSDGQXNBOEJ-UHFFFAOYSA-N -1 0 317.654 3.591 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(-c3nnco3)cc2)c1 ZINC001211965301 1025877207 /nfs/dbraw/zinc/87/72/07/1025877207.db2.gz YCFUVZJLTQXQTQ-UHFFFAOYSA-N -1 0 315.716 3.832 20 0 DHADRM CC(=O)Oc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211967022 1025893722 /nfs/dbraw/zinc/89/37/22/1025893722.db2.gz RVOXLLVGILGTMG-UHFFFAOYSA-N -1 0 305.717 3.707 20 0 DHADRM O=C([O-])c1cccc2oc(/C=C/c3nc(Cl)cs3)nc21 ZINC000806555880 1025918957 /nfs/dbraw/zinc/91/89/57/1025918957.db2.gz JSJOFQMCQMADAS-SNAWJCMRSA-N -1 0 306.730 3.806 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C/c3nc(Cl)cs3)oc2c1 ZINC000806556502 1025919207 /nfs/dbraw/zinc/91/92/07/1025919207.db2.gz VDNKWISYHBXSTA-ONEGZZNKSA-N -1 0 306.730 3.806 20 0 DHADRM CN1CCc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969753 1025934464 /nfs/dbraw/zinc/93/44/64/1025934464.db2.gz YRKGMFVNFYMHPQ-UHFFFAOYSA-N 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ZINC001174500352 1034440899 /nfs/dbraw/zinc/44/08/99/1034440899.db2.gz PIYZBYPRVSDCDD-SNAWJCMRSA-N -1 0 303.745 3.674 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864867056 1034464025 /nfs/dbraw/zinc/46/40/25/1034464025.db2.gz IABADCLEPNDFPN-MRVPVSSYSA-N -1 0 318.186 3.554 20 0 DHADRM CCCC[C@H](NC(=O)c1ccccc1SC(C)C)C(=O)[O-] ZINC000184986853 1034519228 /nfs/dbraw/zinc/51/92/28/1034519228.db2.gz WOYVKRDFYRTSQF-ZDUSSCGKSA-N -1 0 309.431 3.560 20 0 DHADRM CCCN(C(=O)Nc1cccc2ccccc21)[C@H](C)C(=O)[O-] ZINC000899237793 1034534893 /nfs/dbraw/zinc/53/48/93/1034534893.db2.gz ARQAAZYFAIFVMZ-GFCCVEGCSA-N -1 0 300.358 3.557 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ncc(Cl)cc1Cl ZINC001174670221 1034540348 /nfs/dbraw/zinc/54/03/48/1034540348.db2.gz IDROKCOECHRKCV-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM CCNc1ccnc(Cl)c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174674008 1034541245 /nfs/dbraw/zinc/54/12/45/1034541245.db2.gz QFLBUNVWLVWISK-UHFFFAOYSA-N -1 0 321.764 3.617 20 0 DHADRM CNc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174675459 1034542487 /nfs/dbraw/zinc/54/24/87/1034542487.db2.gz LGHNEHXCMVJJTP-UHFFFAOYSA-N -1 0 306.749 3.832 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1ccccc1C ZINC001174674907 1034542823 /nfs/dbraw/zinc/54/28/23/1034542823.db2.gz PTFDCLXCSLMPCS-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])cc2OC)c2ccncc12 ZINC001174675237 1034543093 /nfs/dbraw/zinc/54/30/93/1034543093.db2.gz JLDLTVJMXLMBDB-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174677305 1034543184 /nfs/dbraw/zinc/54/31/84/1034543184.db2.gz MSKRHQKIPWOKFJ-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(SC)cc1F ZINC001174679578 1034544526 /nfs/dbraw/zinc/54/45/26/1034544526.db2.gz BZYNUUWLTGMEFU-UHFFFAOYSA-N -1 0 307.346 3.998 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(Cl)cccc1C(C)=O ZINC001174680249 1034544929 /nfs/dbraw/zinc/54/49/29/1034544929.db2.gz RSTHWTPOCYONTC-UHFFFAOYSA-N -1 0 319.744 3.993 20 0 DHADRM CCOc1c(F)cccc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174680293 1034545650 /nfs/dbraw/zinc/54/56/50/1034545650.db2.gz TUKSPPLNYAXTMN-UHFFFAOYSA-N -1 0 305.305 3.675 20 0 DHADRM COc1cc(Nc2ccnc(Cl)c2Cl)ccc1C(=O)[O-] ZINC001174681036 1034547796 /nfs/dbraw/zinc/54/77/96/1034547796.db2.gz JHSHHGTWYRLPNR-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2cccnc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174684767 1034547883 /nfs/dbraw/zinc/54/78/83/1034547883.db2.gz YZTNZMDLGCWKBD-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM COc1cc(Nc2c(N)cc(Cl)cc2F)ccc1C(=O)[O-] ZINC001174686801 1034549255 /nfs/dbraw/zinc/54/92/55/1034549255.db2.gz VNEFHRISYKQNKQ-UHFFFAOYSA-N -1 0 310.712 3.512 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(Cl)c1 ZINC000899346442 1034585755 /nfs/dbraw/zinc/58/57/55/1034585755.db2.gz OIYZDAJNNNWJKA-JTQLQIEISA-N -1 0 302.683 3.631 20 0 DHADRM O=S(=O)([O-])c1cccc(Nc2ccc(C(F)(F)F)cc2)c1 ZINC001174773307 1034598425 /nfs/dbraw/zinc/59/84/25/1034598425.db2.gz VFOPIYNEPAAKFT-UHFFFAOYSA-N 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CC(C)Oc1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001175140560 1034838148 /nfs/dbraw/zinc/83/81/48/1034838148.db2.gz QJAWHWNAHLIKML-UHFFFAOYSA-N -1 0 303.293 4.000 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1CN1CCCCC(F)(F)C1 ZINC001142643034 1034858874 /nfs/dbraw/zinc/85/88/74/1034858874.db2.gz AUVYSRNJBYFVOQ-UHFFFAOYSA-N -1 0 303.736 3.659 20 0 DHADRM O=C([O-])c1cc(Nc2c(F)c(F)cc(F)c2F)ccc1F ZINC001175218819 1034870950 /nfs/dbraw/zinc/87/09/50/1034870950.db2.gz MSJMRKQPTVQCRG-UHFFFAOYSA-N -1 0 303.186 3.824 20 0 DHADRM O=C([O-])c1cc(Nc2ccnc(C(F)(F)F)c2)ccc1F ZINC001175215896 1034871293 /nfs/dbraw/zinc/87/12/93/1034871293.db2.gz USCBPKBWNANGNU-UHFFFAOYSA-N -1 0 300.211 3.681 20 0 DHADRM Nc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001175218621 1034871638 /nfs/dbraw/zinc/87/16/38/1034871638.db2.gz IJWXVIBUKGLKPR-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM O=C([O-])c1cc(Nc2cc(-c3ccccc3)cnn2)ccc1F ZINC001175220918 1034872266 /nfs/dbraw/zinc/87/22/66/1034872266.db2.gz RVTWCNQEUKSOQU-UHFFFAOYSA-N -1 0 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333098225 /nfs/dbraw/zinc/09/82/25/333098225.db2.gz XIKFFIHDLOSZAY-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000314563828 333144282 /nfs/dbraw/zinc/14/42/82/333144282.db2.gz DKEUYTNSDYAGKU-UHFFFAOYSA-N -1 0 311.362 3.781 20 0 DHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCC(=O)[O-])c2)C1 ZINC000179077490 333146288 /nfs/dbraw/zinc/14/62/88/333146288.db2.gz LJJRRXQNTKJCRL-CJNGLKHVSA-N -1 0 319.401 3.585 20 0 DHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCC(=O)[O-])c2)C1 ZINC000179077521 333146369 /nfs/dbraw/zinc/14/63/69/333146369.db2.gz LJJRRXQNTKJCRL-CZUORRHYSA-N -1 0 319.401 3.585 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)[C@H]1CCc2c1cccc2Cl ZINC000582047221 333185600 /nfs/dbraw/zinc/18/56/00/333185600.db2.gz BCJATNXXCNPDPF-MNVSYLFESA-N -1 0 314.834 3.575 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1 ZINC000500538748 333247962 /nfs/dbraw/zinc/24/79/62/333247962.db2.gz RKIABPWEYLOFLD-LLVKDONJSA-N -1 0 308.378 3.535 20 0 DHADRM 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323.314 3.860 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000183622729 337193932 /nfs/dbraw/zinc/19/39/32/337193932.db2.gz SNQJKPQOOOESHX-KRWDZBQOSA-N -1 0 307.340 3.633 20 0 DHADRM C/C=C/c1ccc(NS(=O)(=O)c2cccc(COC)c2)cc1 ZINC000583105511 337238107 /nfs/dbraw/zinc/23/81/07/337238107.db2.gz ZGTYPWDCHHBIFQ-HWKANZROSA-N -1 0 317.410 3.667 20 0 DHADRM CCc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000321285769 337255301 /nfs/dbraw/zinc/25/53/01/337255301.db2.gz WYCGUTPZYMNKHY-VAWYXSNFSA-N -1 0 309.365 3.528 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2[nH]c3ccccc3c2C1 ZINC000583209894 337271812 /nfs/dbraw/zinc/27/18/12/337271812.db2.gz WJQIRHQBVYQGNL-NSHDSACASA-N -1 0 310.353 3.578 20 0 DHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000188973359 337276161 /nfs/dbraw/zinc/27/61/61/337276161.db2.gz SRVREIKQHTVNJC-UHFFFAOYSA-N -1 0 321.446 3.562 20 0 DHADRM CCc1cccc(CC)c1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000321696918 337283788 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Cc1ccc(S([O-])=CC(=O)N(C(C)C)C2CCCC2)c(C)c1 ZINC000132482751 337442412 /nfs/dbraw/zinc/44/24/12/337442412.db2.gz GKSVHVNBNHEXRD-QFIPXVFZSA-N -1 0 321.486 3.591 20 0 DHADRM CC(C)C[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000236606239 337464058 /nfs/dbraw/zinc/46/40/58/337464058.db2.gz NNIDKYGAABMUNG-GUYCJALGSA-N -1 0 313.397 3.559 20 0 DHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)C ZINC000236733657 337465074 /nfs/dbraw/zinc/46/50/74/337465074.db2.gz RLZSBUSUTURHKY-BBRMVZONSA-N -1 0 305.418 3.699 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000236926322 337466646 /nfs/dbraw/zinc/46/66/46/337466646.db2.gz IAVOWOHNEYTBFD-YJNKEBTESA-N -1 0 317.429 3.576 20 0 DHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1c(F)cccc1F ZINC000195452119 337467037 /nfs/dbraw/zinc/46/70/37/337467037.db2.gz XNHRAQMJCBYZNJ-UHFFFAOYSA-N -1 0 319.279 3.703 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000322119287 337467155 /nfs/dbraw/zinc/46/71/55/337467155.db2.gz 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/nfs/dbraw/zinc/60/70/95/337607095.db2.gz KMASGULPOKVOHP-SHTZXODSSA-N -1 0 303.402 3.715 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000262182279 337615776 /nfs/dbraw/zinc/61/57/76/337615776.db2.gz QVUWCDYWFDZEJH-UONOGXRCSA-N -1 0 305.418 3.531 20 0 DHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000262234853 337616041 /nfs/dbraw/zinc/61/60/41/337616041.db2.gz SWHUQSOHTWASNL-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cccc2ccccc21 ZINC000262260783 337616143 /nfs/dbraw/zinc/61/61/43/337616143.db2.gz YULFZMSZMGIXLT-UHFFFAOYSA-N -1 0 313.397 3.532 20 0 DHADRM Cc1cccc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])oc21 ZINC000262209574 337616498 /nfs/dbraw/zinc/61/64/98/337616498.db2.gz KQGMFSSBOBLEDS-CQSZACIVSA-N -1 0 315.369 3.601 20 0 DHADRM Cc1oc(CN(C)C(=O)CCC2CCCCC2)cc1C(=O)[O-] ZINC000262403876 337617329 /nfs/dbraw/zinc/61/73/29/337617329.db2.gz AISWQINXCMLTSM-UHFFFAOYSA-N -1 0 307.390 3.605 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262494919 337618684 /nfs/dbraw/zinc/61/86/84/337618684.db2.gz MRBBYACJNYVNLQ-CQSZACIVSA-N -1 0 321.417 3.851 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262592769 337619688 /nfs/dbraw/zinc/61/96/88/337619688.db2.gz IEPXDQRZHJMBCR-CQSZACIVSA-N -1 0 309.381 3.674 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CSCCC(C)C ZINC000262522762 337619782 /nfs/dbraw/zinc/61/97/82/337619782.db2.gz OCCQJEFJFGSNSL-UHFFFAOYSA-N -1 0 309.431 3.719 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000262705423 337620754 /nfs/dbraw/zinc/62/07/54/337620754.db2.gz JHVZCWARUOPULR-OFLPRAFFSA-N -1 0 315.413 3.550 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC000262710507 337620765 /nfs/dbraw/zinc/62/07/65/337620765.db2.gz BMAJBIJXMYRDGY-UGSOOPFHSA-N -1 0 323.392 3.682 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000262719787 337620887 /nfs/dbraw/zinc/62/08/87/337620887.db2.gz 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ZINC000263005998 337622911 /nfs/dbraw/zinc/62/29/11/337622911.db2.gz PFHJIPAWNYKHOB-VXGBXAGGSA-N -1 0 323.355 3.505 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263049784 337623597 /nfs/dbraw/zinc/62/35/97/337623597.db2.gz NBKGJVLVOFLWMZ-AWEZNQCLSA-N -1 0 318.417 3.701 20 0 DHADRM C[C@H]1CCCC[C@H]1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263054552 337623769 /nfs/dbraw/zinc/62/37/69/337623769.db2.gz LOBRKKOLLAAIRP-DOTOQJQBSA-N -1 0 317.429 3.706 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000263089710 337624183 /nfs/dbraw/zinc/62/41/83/337624183.db2.gz HSYRJEFJSXXVMO-HIFRSBDPSA-N -1 0 321.392 3.674 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)CC2 ZINC000263104116 337624481 /nfs/dbraw/zinc/62/44/81/337624481.db2.gz WCIXRMIGPSFOBM-INIZCTEOSA-N -1 0 315.413 3.559 20 0 DHADRM CC(C)CCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263128620 337624640 /nfs/dbraw/zinc/62/46/40/337624640.db2.gz SRCXGVUSBQLKEF-QGZVFWFLSA-N -1 0 313.397 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Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1C(=O)[O-] ZINC000237587232 340672421 /nfs/dbraw/zinc/67/24/21/340672421.db2.gz VZACIOHEACZMRQ-HWKANZROSA-N -1 0 313.328 3.874 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1cc(Cl)ccc1F ZINC000238104904 340675763 /nfs/dbraw/zinc/67/57/63/340675763.db2.gz GWELAGQXAZBFIW-UHFFFAOYSA-N -1 0 315.772 3.634 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000238093433 340675798 /nfs/dbraw/zinc/67/57/98/340675798.db2.gz SZNMQNBOKDCGAQ-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM CSc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000315601491 340676017 /nfs/dbraw/zinc/67/60/17/340676017.db2.gz PODWCXZLGYEYHI-LBPRGKRZSA-N -1 0 321.442 3.621 20 0 DHADRM CSc1ccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000315601488 340676034 /nfs/dbraw/zinc/67/60/34/340676034.db2.gz PODWCXZLGYEYHI-GFCCVEGCSA-N -1 0 321.442 3.621 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000529412792 340754605 /nfs/dbraw/zinc/75/46/05/340754605.db2.gz 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ZINC000131759309 341111138 /nfs/dbraw/zinc/11/11/38/341111138.db2.gz XDEKXTXJMIJBBU-UHFFFAOYSA-N -1 0 309.293 3.512 20 0 DHADRM CCC1CCC(N(C(=O)c2ccc(C(=O)[O-])cc2)C2CC2)CC1 ZINC000236658025 341192939 /nfs/dbraw/zinc/19/29/39/341192939.db2.gz PWVLNRUHQKYREH-UHFFFAOYSA-N -1 0 315.413 3.958 20 0 DHADRM CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1C ZINC000236897852 341204165 /nfs/dbraw/zinc/20/41/65/341204165.db2.gz IYHBQYXXVTWOGM-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000237325628 341211604 /nfs/dbraw/zinc/21/16/04/341211604.db2.gz GQGNMKMHNRLNOA-GFCCVEGCSA-N -1 0 313.353 3.526 20 0 DHADRM COc1ccccc1SCC(=O)Nc1ccc(O)c(Cl)c1 ZINC000134406207 341214735 /nfs/dbraw/zinc/21/47/35/341214735.db2.gz QGXNNTSVEZIJSW-UHFFFAOYSA-N -1 0 323.801 3.785 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000237498242 341214956 /nfs/dbraw/zinc/21/49/56/341214956.db2.gz RKIXPZXXWOKATF-CYBMUJFWSA-N -1 0 319.401 3.695 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237493358 341214982 /nfs/dbraw/zinc/21/49/82/341214982.db2.gz OTJPUFYTEMVCRT-LLVKDONJSA-N -1 0 309.321 3.873 20 0 DHADRM Cc1cc(NC(=O)C[C@H](C)c2cccc(F)c2)ccc1C(=O)[O-] ZINC000237568039 341215951 /nfs/dbraw/zinc/21/59/51/341215951.db2.gz NZWCUMGLDXQJHB-NSHDSACASA-N -1 0 315.344 3.965 20 0 DHADRM Cc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000237611482 341216549 /nfs/dbraw/zinc/21/65/49/341216549.db2.gz QTRKZGYXIGCHSS-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000237791564 341220721 /nfs/dbraw/zinc/22/07/21/341220721.db2.gz LNVYOCFHPNTHNP-SFHVURJKSA-N -1 0 323.392 3.979 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000237902827 341222786 /nfs/dbraw/zinc/22/27/86/341222786.db2.gz SXPLQEIQYZTVFJ-SFHVURJKSA-N -1 0 323.392 3.979 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000238029944 341224878 /nfs/dbraw/zinc/22/48/78/341224878.db2.gz KNUJKZOBNNSRDZ-QZTJIDSGSA-N -1 0 323.392 3.526 20 0 DHADRM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000077638511 341227909 /nfs/dbraw/zinc/22/79/09/341227909.db2.gz LRCQMTPABZFSLR-GXTWGEPZSA-N -1 0 322.191 3.985 20 0 DHADRM CN(Cc1ccccc1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000547878641 341238748 /nfs/dbraw/zinc/23/87/48/341238748.db2.gz WJJCKXOOAVWZTF-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM Cc1cc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c(C)o1 ZINC000548029652 341243651 /nfs/dbraw/zinc/24/36/51/341243651.db2.gz HKWPAZFUJGUDEK-UHFFFAOYSA-N -1 0 323.377 3.923 20 0 DHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cc2ccccc2o1 ZINC000135730360 341244945 /nfs/dbraw/zinc/24/49/45/341244945.db2.gz LYKZGQBMOZEMAE-UHFFFAOYSA-N -1 0 324.361 3.782 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1 ZINC000548150227 341249639 /nfs/dbraw/zinc/24/96/39/341249639.db2.gz GYPNSWCGSDULFL-UHFFFAOYSA-N -1 0 300.383 3.586 20 0 DHADRM CCN(C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1)C(C)C ZINC000548541965 341265984 /nfs/dbraw/zinc/26/59/84/341265984.db2.gz GHOICKNYEWEQKA-MRXNPFEDSA-N -1 0 320.433 3.766 20 0 DHADRM CC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCCCC1 ZINC000548729469 341270900 /nfs/dbraw/zinc/27/09/00/341270900.db2.gz VXDUKQIFIWNYAD-UHFFFAOYSA-N -1 0 301.415 3.536 20 0 DHADRM Cc1cc(/C=C\c2cc(C(=O)[O-])ncn2)cc(C)c1OC(F)F ZINC000548901921 341280339 /nfs/dbraw/zinc/28/03/39/341280339.db2.gz BFCCSHSZENMRST-ARJAWSKDSA-N -1 0 320.295 3.563 20 0 DHADRM CCCCN(CC)C(=O)c1c(O)cnc2ccc(Cl)cc21 ZINC000549153229 341287260 /nfs/dbraw/zinc/28/72/60/341287260.db2.gz FOMMVYCBMSGGHO-UHFFFAOYSA-N -1 0 306.793 3.856 20 0 DHADRM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000081906533 341309788 /nfs/dbraw/zinc/30/97/88/341309788.db2.gz MPJSVWYDMDNHTL-AWEZNQCLSA-N -1 0 322.813 3.775 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c(C)c1 ZINC000550440871 341317157 /nfs/dbraw/zinc/31/71/57/341317157.db2.gz IMGYUXYKPVKGCR-UHFFFAOYSA-N -1 0 324.471 3.858 20 0 DHADRM CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c([O-])cc1Cl ZINC000550598584 341319234 /nfs/dbraw/zinc/31/92/34/341319234.db2.gz JUXVADAELGMZLR-CQSZACIVSA-N -1 0 323.179 3.577 20 0 DHADRM Cc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1OC(F)F ZINC000550975811 341328150 /nfs/dbraw/zinc/32/81/50/341328150.db2.gz MKCQOMJYROMXHI-AATRIKPKSA-N -1 0 305.280 3.860 20 0 DHADRM O=S(=O)([N-]c1ccccc1Cl)c1cc2ccccc2o1 ZINC000084919953 341363564 /nfs/dbraw/zinc/36/35/64/341363564.db2.gz SWTCZDARVBBMLU-UHFFFAOYSA-N -1 0 307.758 3.887 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1 ZINC000247356339 341363861 /nfs/dbraw/zinc/36/38/61/341363861.db2.gz YKTFDWDMUDZXIH-FVQBIDKESA-N -1 0 303.402 3.535 20 0 DHADRM Cc1ccc([C@@H](C)CN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553082069 341415239 /nfs/dbraw/zinc/41/52/39/341415239.db2.gz PAMCUNVOJBKRTQ-VIFPVBQESA-N -1 0 301.337 3.503 20 0 DHADRM CCCOc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553132543 341417257 /nfs/dbraw/zinc/41/72/57/341417257.db2.gz RHCRFJCGKDZJID-UHFFFAOYSA-N -1 0 303.309 3.511 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccccc1C(C)C)C1CC1 ZINC000564770603 341509092 /nfs/dbraw/zinc/50/90/92/341509092.db2.gz BEEOQZDWGQKXIH-OAHLLOKOSA-N -1 0 304.390 3.670 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2ccccc2)C1 ZINC000564955151 341513778 /nfs/dbraw/zinc/51/37/78/341513778.db2.gz VESMADNQWOSUEF-GVDBMIGSSA-N -1 0 315.413 3.631 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000262554869 341524860 /nfs/dbraw/zinc/52/48/60/341524860.db2.gz TYEXYMCMOAWAMB-SLTXQBBLSA-N -1 0 309.450 3.552 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1=Cc2ccccc2OC1 ZINC000565969336 341544124 /nfs/dbraw/zinc/54/41/24/341544124.db2.gz SZANJCUHAAHWOG-UHFFFAOYSA-N -1 0 319.719 3.599 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@@]12C[C@@H]1CCC2)c1cccc2ccccc21 ZINC000566087441 341547334 /nfs/dbraw/zinc/54/73/34/341547334.db2.gz GXFUZJQCKIDHQN-NQYLQCIDSA-N -1 0 323.392 3.662 20 0 DHADRM Cc1c(C(=O)[O-])csc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000567407716 341601826 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O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000574574232 341762557 /nfs/dbraw/zinc/76/25/57/341762557.db2.gz CBNUEIGAIKWLPW-DLBZAZTESA-N -1 0 315.413 3.859 20 0 DHADRM CC(C)c1nc(/C=C/c2cccc(F)c2F)ncc1C(=O)[O-] ZINC000172555202 341801013 /nfs/dbraw/zinc/80/10/13/341801013.db2.gz HRZJHHMVSYVYKV-VOTSOKGWSA-N -1 0 304.296 3.747 20 0 DHADRM O=C([O-])c1nc(/C=C/c2cccs2)sc1Br ZINC000336678447 341802301 /nfs/dbraw/zinc/80/23/01/341802301.db2.gz ACYAFZMLNPNMEV-ONEGZZNKSA-N -1 0 316.201 3.836 20 0 DHADRM CC(=O)c1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])cc1 ZINC000575763636 341803356 /nfs/dbraw/zinc/80/33/56/341803356.db2.gz XDBFNSOJPQLADS-UYAOXDASSA-N -1 0 306.361 3.845 20 0 DHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccoc1 ZINC000174919087 341833056 /nfs/dbraw/zinc/83/30/56/341833056.db2.gz HSOCUTUJKWDCJQ-UHFFFAOYSA-N -1 0 316.538 3.653 20 0 DHADRM CCCC1(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)CCC1 ZINC000343615274 341849353 /nfs/dbraw/zinc/84/93/53/341849353.db2.gz RNXJHCSRERPZGI-GOSISDBHSA-N -1 0 317.429 3.506 20 0 DHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ccnc2cc(C(F)(F)F)ccc21 ZINC000576758495 341861828 /nfs/dbraw/zinc/86/18/28/341861828.db2.gz UJEISAVEZRSSOP-GXSJLCMTSA-N -1 0 324.302 3.553 20 0 DHADRM C[C@H](NCc1ccc2c(c1)CCCC2)c1ncc(C(=O)[O-])s1 ZINC000576875477 341867558 /nfs/dbraw/zinc/86/75/58/341867558.db2.gz KHNWOYSYFZZNBK-NSHDSACASA-N -1 0 316.426 3.571 20 0 DHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000576928432 341870053 /nfs/dbraw/zinc/87/00/53/341870053.db2.gz PIDZMXXLUDBZQR-GXMNPTEKSA-N -1 0 304.390 3.525 20 0 DHADRM CSc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)n1 ZINC000577537662 341916435 /nfs/dbraw/zinc/91/64/35/341916435.db2.gz DPSZVRZPZZMICV-UHFFFAOYSA-N -1 0 322.455 3.530 20 0 DHADRM CC(C)Oc1ccc(-c2ccccc2OCCC(=O)[O-])cc1 ZINC000567124343 517452405 /nfs/dbraw/zinc/45/24/05/517452405.db2.gz FZIQMNWSCSGHEO-UHFFFAOYSA-N -1 0 300.354 3.994 20 0 DHADRM CCCN(C(=O)Nc1cc(Cl)ccc1C)[C@@H](CC)C(=O)[O-] ZINC000514988687 517575881 /nfs/dbraw/zinc/57/58/81/517575881.db2.gz WJQPMNSHXNNUBV-ZDUSSCGKSA-N -1 0 312.797 3.756 20 0 DHADRM CC(C)(C)c1nc2cc(NC(=O)CC(C)(C)C(=O)[O-])ccc2o1 ZINC000236634204 519104275 /nfs/dbraw/zinc/10/42/75/519104275.db2.gz ZZOYZOXAHZWOOM-UHFFFAOYSA-N -1 0 318.373 3.565 20 0 DHADRM CC(C)CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000266028461 519708437 /nfs/dbraw/zinc/70/84/37/519708437.db2.gz VTEUHEUCNDGBQA-UHFFFAOYSA-N -1 0 320.614 3.536 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)ccc1Cl ZINC000262888698 519807807 /nfs/dbraw/zinc/80/78/07/519807807.db2.gz HHMINCPZAUCVDK-CQSZACIVSA-N -1 0 318.200 3.613 20 0 DHADRM CCCCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263402903 520395498 /nfs/dbraw/zinc/39/54/98/520395498.db2.gz HATGZMYYIIQXFV-UHFFFAOYSA-N -1 0 311.381 3.924 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236778291 520964054 /nfs/dbraw/zinc/96/40/54/520964054.db2.gz IOJPDBZQYYTNTR-LBPRGKRZSA-N -1 0 309.431 3.564 20 0 DHADRM CCC(C)(C)OCc1cccc(NC(=O)CCC(=O)[O-])c1C ZINC000338187084 521358465 /nfs/dbraw/zinc/35/84/65/521358465.db2.gz FHICREMEKMUNCY-UHFFFAOYSA-N -1 0 307.390 3.504 20 0 DHADRM COc1cc(C)sc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262560405 522302475 /nfs/dbraw/zinc/30/24/75/522302475.db2.gz WCSZROSXFXDWGG-UHFFFAOYSA-N -1 0 319.382 3.632 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237028597 522722152 /nfs/dbraw/zinc/72/21/52/522722152.db2.gz FYNKHWVAXDUQEV-UHFFFAOYSA-N -1 0 321.760 3.537 20 0 DHADRM C[C@@H](C(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000262083006 524179944 /nfs/dbraw/zinc/17/99/44/524179944.db2.gz KMYDSKAHSICVKE-GFCCVEGCSA-N -1 0 311.809 3.595 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000193449787 524206023 /nfs/dbraw/zinc/20/60/23/524206023.db2.gz SUPXYGQVIUKKQK-KRWDZBQOSA-N -1 0 311.381 3.639 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1Cl ZINC000160222101 524216822 /nfs/dbraw/zinc/21/68/22/524216822.db2.gz VWVBKIMSGCPXQU-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000237498639 524441084 /nfs/dbraw/zinc/44/10/84/524441084.db2.gz ARAQTOLGZKGCKJ-LBPRGKRZSA-N -1 0 323.820 3.521 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000194440759 524689463 /nfs/dbraw/zinc/68/94/63/524689463.db2.gz HDWFFTCHGQXWIG-WNZJFKNXSA-N -1 0 315.413 3.632 20 0 DHADRM Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)c2cccnc12 ZINC000339240512 525265503 /nfs/dbraw/zinc/26/55/03/525265503.db2.gz VWEGEIUUPVJPDG-UHFFFAOYSA-N -1 0 319.773 3.611 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000237520579 525368214 /nfs/dbraw/zinc/36/82/14/525368214.db2.gz MRCBHCRPGNNPHS-GXTWGEPZSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)NCCCCC(=O)[O-])cc1 ZINC000237804002 525766558 /nfs/dbraw/zinc/76/65/58/525766558.db2.gz FXVUSGANXFCEKO-UHFFFAOYSA-N -1 0 317.410 3.708 20 0 DHADRM Cc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000237891755 525772617 /nfs/dbraw/zinc/77/26/17/525772617.db2.gz 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600466480 /nfs/dbraw/zinc/46/64/80/600466480.db2.gz YDJJFBGYKRKNIW-DOTOQJQBSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261907598 600472111 /nfs/dbraw/zinc/47/21/11/600472111.db2.gz PQJPJVYPSSNJJI-OAHLLOKOSA-N -1 0 324.380 3.682 20 0 DHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736879719 600475199 /nfs/dbraw/zinc/47/51/99/600475199.db2.gz HHFVQPIJMFRHGY-SWLSCSKDSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000236723504 600479280 /nfs/dbraw/zinc/47/92/80/600479280.db2.gz JLVTVQULJQOPFE-UHFFFAOYSA-N -1 0 317.772 3.955 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2cccs2)cc1Cl ZINC000048806994 600480841 /nfs/dbraw/zinc/48/08/41/600480841.db2.gz RCHICADRFITTIF-GQCTYLIASA-N -1 0 307.758 3.752 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000238190370 600481014 /nfs/dbraw/zinc/48/10/14/600481014.db2.gz RZHFWYKRRXOAMO-UHFFFAOYSA-N -1 0 315.756 3.779 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)[O-])CC1 ZINC000736396692 600499332 /nfs/dbraw/zinc/49/93/32/600499332.db2.gz WMHFHSHEULBXEL-ZDUSSCGKSA-N -1 0 304.390 3.675 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000736904816 600507818 /nfs/dbraw/zinc/50/78/18/600507818.db2.gz YRJIJDRWRPMEPL-CQSZACIVSA-N -1 0 316.353 3.598 20 0 DHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000048814101 600508999 /nfs/dbraw/zinc/50/89/99/600508999.db2.gz UPVMFXFXMFVEDJ-ZJUUUORDSA-N -1 0 310.781 3.738 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000737001663 600524562 /nfs/dbraw/zinc/52/45/62/600524562.db2.gz WNQYOVJLONYDAF-UHFFFAOYSA-N -1 0 315.822 3.900 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1cccnc1 ZINC000736547943 600526815 /nfs/dbraw/zinc/52/68/15/600526815.db2.gz GPFGPPHSIGOXTA-JTQLQIEISA-N -1 0 318.760 3.566 20 0 DHADRM CSCCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738190860 600528949 /nfs/dbraw/zinc/52/89/49/600528949.db2.gz PLRZRJICWPWJGV-UHFFFAOYSA-N -1 0 301.795 3.510 20 0 DHADRM CCN(C(=O)Cc1cc(C)ccc1C)c1ccccc1C(=O)[O-] ZINC000737060238 600532579 /nfs/dbraw/zinc/53/25/79/600532579.db2.gz OXGUADWMZQHBFS-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM CCCCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000322264788 600539262 /nfs/dbraw/zinc/53/92/62/600539262.db2.gz NUGPFODQTQRCBL-UHFFFAOYSA-N -1 0 316.357 3.642 20 0 DHADRM C[C@H](OC(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccc(C(=O)[O-])cc1 ZINC000736779755 600549811 /nfs/dbraw/zinc/54/98/11/600549811.db2.gz JXZBCFWKGAFAHS-HEHGZKQESA-N -1 0 320.385 3.584 20 0 DHADRM CCc1ccc([C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737259073 600566248 /nfs/dbraw/zinc/56/62/48/600566248.db2.gz MCYIGMZPLLMCFY-GFCCVEGCSA-N -1 0 312.369 3.830 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)CS[C@H](C)CC(=O)[O-] ZINC000738307109 600583922 /nfs/dbraw/zinc/58/39/22/600583922.db2.gz IFVZGJIIWDXZHV-GFCCVEGCSA-N -1 0 309.431 3.653 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)CS[C@@H](C)CC(=O)[O-] ZINC000738307110 600584014 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C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000736552752 600592713 /nfs/dbraw/zinc/59/27/13/600592713.db2.gz PIENPJOJRRHHHH-NEPJUHHUSA-N -1 0 323.458 3.908 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1ccc(Br)cc1F ZINC000085157803 600593962 /nfs/dbraw/zinc/59/39/62/600593962.db2.gz VEBAPYIRDSLPLN-SSDOTTSWSA-N -1 0 307.184 3.685 20 0 DHADRM Cc1ccc2c(CS[C@H](C)CC(=O)[O-])cc(=O)oc2c1C ZINC000738292887 600594687 /nfs/dbraw/zinc/59/46/87/600594687.db2.gz LWAHEMROGGIQJD-SNVBAGLBSA-N -1 0 306.383 3.506 20 0 DHADRM Cc1cccc(NC(=O)[C@@H](SC[C@H](C)C(=O)[O-])C(C)C)c1C ZINC000738732823 600606618 /nfs/dbraw/zinc/60/66/18/600606618.db2.gz MZOZRXISZFFANR-WFASDCNBSA-N -1 0 323.458 3.720 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000740043272 600609238 /nfs/dbraw/zinc/60/92/38/600609238.db2.gz SGJOVOBBBKHAEZ-ZDUSSCGKSA-N -1 0 310.353 3.835 20 0 DHADRM C[C@H]1CCC[C@H](CCNC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000736774960 600610705 /nfs/dbraw/zinc/61/07/05/600610705.db2.gz 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ZINC000736942164 600626812 /nfs/dbraw/zinc/62/68/12/600626812.db2.gz QMFQJJORDMMHHW-OAHLLOKOSA-N -1 0 319.405 3.641 20 0 DHADRM CC(C)c1ccc2cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[nH]c2c1 ZINC000736520488 600643606 /nfs/dbraw/zinc/64/36/06/600643606.db2.gz IEBOAWHCYWEVFP-OAHLLOKOSA-N -1 0 316.401 3.520 20 0 DHADRM CCN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1C(=O)[O-] ZINC000737059372 600646969 /nfs/dbraw/zinc/64/69/69/600646969.db2.gz PFCIAZSFWQQVMB-UHFFFAOYSA-N -1 0 308.337 3.533 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736984983 600671624 /nfs/dbraw/zinc/67/16/24/600671624.db2.gz RNSMLQQAIQURJQ-RHSMWYFYSA-N -1 0 305.418 3.877 20 0 DHADRM CN(Cc1coc(-c2ccccc2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496285 600672444 /nfs/dbraw/zinc/67/24/44/600672444.db2.gz DEOVYZCBTCNJKZ-QGZVFWFLSA-N -1 0 322.364 3.599 20 0 DHADRM O=C([O-])c1cc(NCCCOc2ccc(F)cc2)ccc1F ZINC000740089006 600676430 /nfs/dbraw/zinc/67/64/30/600676430.db2.gz NMMDQEMLLZZBFX-UHFFFAOYSA-N -1 0 307.296 3.544 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1Cc2ccccc21 ZINC000325736727 600678689 /nfs/dbraw/zinc/67/86/89/600678689.db2.gz BQSCTRSHAPZFKI-INIZCTEOSA-N -1 0 317.344 3.816 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc3ccccc3o2)cc1 ZINC000736232128 600680622 /nfs/dbraw/zinc/68/06/22/600680622.db2.gz FQRMAFDLRWWPJU-UHFFFAOYSA-N -1 0 310.353 3.802 20 0 DHADRM O=C([O-])c1ccc(-c2noc(-c3cc4cccc(F)c4o3)n2)cc1 ZINC000833309092 600693271 /nfs/dbraw/zinc/69/32/71/600693271.db2.gz YRMXPQOHVOQMIL-UHFFFAOYSA-N -1 0 324.267 3.987 20 0 DHADRM CC(C)CCO[C@H](C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000826855599 600693982 /nfs/dbraw/zinc/69/39/82/600693982.db2.gz SETCEJTYXGWUQM-LLVKDONJSA-N -1 0 304.346 3.559 20 0 DHADRM O=C([O-])c1cccc(-c2noc(Cc3cc4ccccc4o3)n2)c1 ZINC000833327818 600695911 /nfs/dbraw/zinc/69/59/11/600695911.db2.gz HFZFBZMWXFQVAY-UHFFFAOYSA-N -1 0 320.304 3.772 20 0 DHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736511732 600696425 /nfs/dbraw/zinc/69/64/25/600696425.db2.gz 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ZINC000832920366 600958269 /nfs/dbraw/zinc/95/82/69/600958269.db2.gz CRIRRKCEQYHCIK-MRXNPFEDSA-N -1 0 322.401 3.540 20 0 DHADRM COc1ccc(C)cc1CN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000321396266 600958535 /nfs/dbraw/zinc/95/85/35/600958535.db2.gz HEAAZCTWTIUOAP-CQSZACIVSA-N -1 0 311.381 3.582 20 0 DHADRM O=C([O-])C[C@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000388515425 600958827 /nfs/dbraw/zinc/95/88/27/600958827.db2.gz WFLFGLJFGSPQSA-LBPRGKRZSA-N -1 0 303.308 3.543 20 0 DHADRM O=C([O-])C[C@H]1CN(CCSc2ccccc2)c2ccccc21 ZINC000316250294 600963551 /nfs/dbraw/zinc/96/35/51/600963551.db2.gz DRTIWUMVZKYVFN-AWEZNQCLSA-N -1 0 313.422 3.857 20 0 DHADRM O=C(/C=C/C1CC1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833093457 600969406 /nfs/dbraw/zinc/96/94/06/600969406.db2.gz XKJOYPGEILAGDX-CMDGGOBGSA-N -1 0 305.399 3.620 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCC1CCCC1 ZINC000832524339 600971586 /nfs/dbraw/zinc/97/15/86/600971586.db2.gz VFZHZRZECDDXIK-UHFFFAOYSA-N -1 0 306.358 3.659 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000828594473 600973230 /nfs/dbraw/zinc/97/32/30/600973230.db2.gz CUFGZTHTJOSTGP-UKRRQHHQSA-N -1 0 315.369 3.588 20 0 DHADRM Cc1nc(C)c(CSc2nc3ccc(C(=O)[O-])cc3o2)s1 ZINC000738847053 600986775 /nfs/dbraw/zinc/98/67/75/600986775.db2.gz IQLQYEVNKMDSJX-UHFFFAOYSA-N -1 0 320.395 3.892 20 0 DHADRM CCCc1ncc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])s1 ZINC000737047085 600994069 /nfs/dbraw/zinc/99/40/69/600994069.db2.gz MXCNNIJXNBHJNM-UHFFFAOYSA-N -1 0 324.427 3.724 20 0 DHADRM Cc1nc(NCc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000133174393 600994307 /nfs/dbraw/zinc/99/43/07/600994307.db2.gz BQVBQLCESUGEEJ-UHFFFAOYSA-N -1 0 316.304 3.781 20 0 DHADRM CC[C@]1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829044843 600996484 /nfs/dbraw/zinc/99/64/84/600996484.db2.gz WDQCLVOIBUSGQM-QGZVFWFLSA-N -1 0 304.390 3.737 20 0 DHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(C(C)C)c1)C(=O)[O-] ZINC000317503944 600998043 /nfs/dbraw/zinc/99/80/43/600998043.db2.gz 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O=C([O-])c1ccc(-c2noc(C3(c4cccc(F)c4)CC3)n2)cc1 ZINC000833307191 601402952 /nfs/dbraw/zinc/40/29/52/601402952.db2.gz CEKGQRRZJVWRPX-UHFFFAOYSA-N -1 0 324.311 3.654 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1nc2ccccc2o1 ZINC000830394531 601404908 /nfs/dbraw/zinc/40/49/08/601404908.db2.gz FUEWVMDHERLJBB-UHFFFAOYSA-N -1 0 303.339 3.974 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1ncnc2ccsc21 ZINC000830398791 601405964 /nfs/dbraw/zinc/40/59/64/601405964.db2.gz TXODYLWOAFLEAJ-UHFFFAOYSA-N -1 0 320.395 3.837 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1ccc(COC)cc1 ZINC000830394175 601409101 /nfs/dbraw/zinc/40/91/01/601409101.db2.gz AGDPYVDXMBKYQO-UHFFFAOYSA-N -1 0 306.383 3.979 20 0 DHADRM O=C([O-])C[C@@H]1CN(C(=O)CC2CCCCCC2)c2ccccc21 ZINC000323568382 601412102 /nfs/dbraw/zinc/41/21/02/601412102.db2.gz SEUWHRASVKXSIH-OAHLLOKOSA-N -1 0 315.413 3.952 20 0 DHADRM CC(C)c1ccc(NC(=O)CNc2ccccc2C(=O)[O-])cc1 ZINC000827124033 601439626 /nfs/dbraw/zinc/43/96/26/601439626.db2.gz GXJKELIIAUPIEK-UHFFFAOYSA-N -1 0 312.369 3.559 20 0 DHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829014851 601441085 /nfs/dbraw/zinc/44/10/85/601441085.db2.gz RYSASACKEZYNDM-GFCCVEGCSA-N -1 0 319.382 3.551 20 0 DHADRM O=C([O-])c1cc(F)ccc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000833096546 601447397 /nfs/dbraw/zinc/44/73/97/601447397.db2.gz QZFMUOATDXHBBB-RQOWECAXSA-N -1 0 317.291 3.705 20 0 DHADRM CCc1cccc(CC)c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000316169914 601449536 /nfs/dbraw/zinc/44/95/36/601449536.db2.gz YNNOAQONDMUOTI-LSDHHAIUSA-N -1 0 303.402 3.641 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3c(F)cccc32)c1 ZINC000833290917 601453662 /nfs/dbraw/zinc/45/36/62/601453662.db2.gz VLMJNGCCZGENCN-UHFFFAOYSA-N -1 0 314.316 3.509 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000767050443 601465690 /nfs/dbraw/zinc/46/56/90/601465690.db2.gz FHMFVAKATWQURB-TXPKVOOTSA-N -1 0 317.429 3.673 20 0 DHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000825798572 601471755 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C[C@H](NC(=O)[O-])c1ccc(Nc2ncnc3sccc32)cc1 ZINC000825452999 603206140 /nfs/dbraw/zinc/20/61/40/603206140.db2.gz GYMNGKBVPLXCCM-VIFPVBQESA-N -1 0 314.370 3.764 20 0 DHADRM CN(Cc1ccsc1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739719851 603206429 /nfs/dbraw/zinc/20/64/29/603206429.db2.gz XJRKCOBHNNERFH-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739091068 603209520 /nfs/dbraw/zinc/20/95/20/603209520.db2.gz QZFYIVZWTNAZSQ-ZETOZRRWSA-N -1 0 320.364 3.709 20 0 DHADRM CC(C)CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1 ZINC000738821323 603213972 /nfs/dbraw/zinc/21/39/72/603213972.db2.gz RDFXDPLZEUDFHF-UHFFFAOYSA-N -1 0 310.781 3.691 20 0 DHADRM Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)[O-] ZINC000830205478 603220705 /nfs/dbraw/zinc/22/07/05/603220705.db2.gz OZTKCSWIYBWEMQ-INIZCTEOSA-N -1 0 324.380 3.892 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000826768379 603231242 /nfs/dbraw/zinc/23/12/42/603231242.db2.gz 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603313697 /nfs/dbraw/zinc/31/36/97/603313697.db2.gz PDVYUIVOXKMVMX-NSHDSACASA-N -1 0 322.430 3.706 20 0 DHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739265882 603323124 /nfs/dbraw/zinc/32/31/24/603323124.db2.gz LYETWWWGJXAIAH-DZGCQCFKSA-N -1 0 319.405 3.545 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826666677 603323072 /nfs/dbraw/zinc/32/30/72/603323072.db2.gz GCDANGYXZPTNMZ-TZMCWYRMSA-N -1 0 304.390 3.784 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739265883 603323197 /nfs/dbraw/zinc/32/31/97/603323197.db2.gz LYETWWWGJXAIAH-HIFRSBDPSA-N -1 0 319.405 3.545 20 0 DHADRM Cc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)cc1NC(=O)[O-] ZINC000830186797 603339615 /nfs/dbraw/zinc/33/96/15/603339615.db2.gz KMGNUPHOLUEAAT-GFCCVEGCSA-N -1 0 310.353 3.849 20 0 DHADRM CCCCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826831086 603373056 /nfs/dbraw/zinc/37/30/56/603373056.db2.gz WKTRJVDBQYIFDY-LBPRGKRZSA-N -1 0 307.394 3.669 20 0 DHADRM CCC1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000826674611 603375380 /nfs/dbraw/zinc/37/53/80/603375380.db2.gz AXHWGBRMVJXLAG-GFCCVEGCSA-N -1 0 319.405 3.669 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000825886603 603377251 /nfs/dbraw/zinc/37/72/51/603377251.db2.gz IOPSOLLVPPSBED-JMSVASOKSA-N -1 0 319.405 3.715 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000825427859 603382931 /nfs/dbraw/zinc/38/29/31/603382931.db2.gz ZKCOIAZOTMHSOE-LBPRGKRZSA-N -1 0 319.405 3.860 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCCCCC2)cc1 ZINC000825427324 603388028 /nfs/dbraw/zinc/38/80/28/603388028.db2.gz TVOAZZPFSHDXPA-CYBMUJFWSA-N -1 0 319.405 3.813 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000832331244 603408377 /nfs/dbraw/zinc/40/83/77/603408377.db2.gz BUFQIJVLNARKTC-CMPLNLGQSA-N -1 0 321.764 3.684 20 0 DHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3C3CCCCC3)n2)CCCC1 ZINC000832227710 603416369 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CC(C)C[C@H](NC(=O)[O-])c1noc(C2(c3ccccc3)CC2)n1 ZINC000824217606 603767851 /nfs/dbraw/zinc/76/78/51/603767851.db2.gz HAZXCRGZBNXSEO-ZDUSSCGKSA-N -1 0 315.373 3.504 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 ZINC000832828312 603776777 /nfs/dbraw/zinc/77/67/77/603776777.db2.gz DXWGQYHPONFWOG-UHFFFAOYSA-N -1 0 310.353 3.833 20 0 DHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000832294985 603941408 /nfs/dbraw/zinc/94/14/08/603941408.db2.gz FIYRIPKYONQFJA-CABCVRRESA-N -1 0 324.380 3.728 20 0 DHADRM Cc1cccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1C ZINC000830473904 603944134 /nfs/dbraw/zinc/94/41/34/603944134.db2.gz YMNYTRRJXCOEBX-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM Cc1ccc(C(=O)OCc2ncc(C(C)C)o2)cc1NC(=O)[O-] ZINC000830244530 603953598 /nfs/dbraw/zinc/95/35/98/603953598.db2.gz BPCMNEKTRLSYRX-UHFFFAOYSA-N -1 0 318.329 3.553 20 0 DHADRM CCCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000826858393 603977843 /nfs/dbraw/zinc/97/78/43/603977843.db2.gz 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/nfs/dbraw/zinc/30/57/14/604305714.db2.gz QMEKFRMVNHHMPD-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826832109 604313887 /nfs/dbraw/zinc/31/38/87/604313887.db2.gz LUNGVBWFZPGKRX-ZDUSSCGKSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826832108 604313925 /nfs/dbraw/zinc/31/39/25/604313925.db2.gz LUNGVBWFZPGKRX-CYBMUJFWSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000833319060 604319579 /nfs/dbraw/zinc/31/95/79/604319579.db2.gz QOARTQGDQDQSPM-UHFFFAOYSA-N -1 0 302.374 3.714 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828863071 604331742 /nfs/dbraw/zinc/33/17/42/604331742.db2.gz UWWPLURBXVNJMA-UHFFFAOYSA-N -1 0 309.381 3.811 20 0 DHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830480295 604335905 /nfs/dbraw/zinc/33/59/05/604335905.db2.gz OIIBBQMWDIXAET-UHFFFAOYSA-N -1 0 313.357 3.715 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826871066 604339492 /nfs/dbraw/zinc/33/94/92/604339492.db2.gz KUNLEFNAYWYERP-UHFFFAOYSA-N -1 0 309.381 3.668 20 0 DHADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000825452290 604344638 /nfs/dbraw/zinc/34/46/38/604344638.db2.gz AAWKFMRQJREQPN-ZCFIWIBFSA-N -1 0 300.742 3.931 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2nccc3occc32)cc1 ZINC000825403485 604346430 /nfs/dbraw/zinc/34/64/30/604346430.db2.gz WZUJSZIZBJKHBW-LLVKDONJSA-N -1 0 311.341 3.769 20 0 DHADRM Cc1ccsc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832984176 604374046 /nfs/dbraw/zinc/37/40/46/604374046.db2.gz LSPXXDJFWJFTDX-CQSZACIVSA-N -1 0 317.410 3.638 20 0 DHADRM CC(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000825960935 604374220 /nfs/dbraw/zinc/37/42/20/604374220.db2.gz TYIIBGPJSNLQBA-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])CC ZINC000828542508 604381737 /nfs/dbraw/zinc/38/17/37/604381737.db2.gz LHYPZWFFAVBQMH-QEMRTBBRSA-N -1 0 315.413 3.867 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829210075 604381848 /nfs/dbraw/zinc/38/18/48/604381848.db2.gz YSTBUYJZMLANOC-DBTPVHCXSA-N -1 0 303.402 3.701 20 0 DHADRM Cc1cccc(C)c1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830487845 604386215 /nfs/dbraw/zinc/38/62/15/604386215.db2.gz DNWXOEXTMWFQJY-GJZGRUSLSA-N -1 0 318.417 3.658 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000826081317 604391740 /nfs/dbraw/zinc/39/17/40/604391740.db2.gz NYACMVJEOSFLBS-HNNXBMFYSA-N -1 0 319.376 3.752 20 0 DHADRM O=C([O-])NC1(c2noc(-c3ccc4sccc4c3)n2)CCC1 ZINC000832222552 604424576 /nfs/dbraw/zinc/42/45/76/604424576.db2.gz BVLDKJSWLNSCHO-UHFFFAOYSA-N -1 0 315.354 3.598 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)s1 ZINC000829026126 604426797 /nfs/dbraw/zinc/42/67/97/604426797.db2.gz GWWIBNQFUPUPTR-AWEZNQCLSA-N -1 0 317.410 3.735 20 0 DHADRM CC(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)=C1CCCC1 ZINC000823705426 604448569 /nfs/dbraw/zinc/44/85/69/604448569.db2.gz WHIOZKHDNVMMCF-CYBMUJFWSA-N -1 0 316.401 3.522 20 0 DHADRM O=C([O-])c1coc(CN2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000833339980 604454636 /nfs/dbraw/zinc/45/46/36/604454636.db2.gz PYUFXMVKTWNIBU-INIZCTEOSA-N -1 0 321.323 3.983 20 0 DHADRM CC(C)(CCC(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833457346 604469225 /nfs/dbraw/zinc/46/92/25/604469225.db2.gz XJFZSNNZXCWTTJ-UHFFFAOYSA-N -1 0 316.353 3.779 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833446791 604473390 /nfs/dbraw/zinc/47/33/90/604473390.db2.gz JHCSCTPHECSHDY-UHFFFAOYSA-N -1 0 313.394 3.774 20 0 DHADRM CC(C)(C)[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(F)(F)F ZINC000833426679 604474488 /nfs/dbraw/zinc/47/44/88/604474488.db2.gz KELXNUPCSUOOCY-GFCCVEGCSA-N -1 0 322.254 3.658 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828201388 604489870 /nfs/dbraw/zinc/48/98/70/604489870.db2.gz RNUBVQNWUJIQOX-CKYFFXLPSA-N -1 0 308.403 3.631 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000833150567 604491550 /nfs/dbraw/zinc/49/15/50/604491550.db2.gz IJYWQFWYVAISLE-JFGNBEQYSA-N -1 0 308.403 3.537 20 0 DHADRM C[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1cccc(F)c1 ZINC000833407124 604494650 /nfs/dbraw/zinc/49/46/50/604494650.db2.gz RKFPMJPAJPXPEW-XIKARTHZSA-N -1 0 308.349 3.506 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000833342300 604496541 /nfs/dbraw/zinc/49/65/41/604496541.db2.gz JERKRLTWFICXEE-ZDUSSCGKSA-N -1 0 316.382 3.815 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826832299 604501833 /nfs/dbraw/zinc/50/18/33/604501833.db2.gz OSFRIHHEBQKKRL-LBPRGKRZSA-N -1 0 310.419 3.879 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829245868 604502769 /nfs/dbraw/zinc/50/27/69/604502769.db2.gz PHMPDBVLHPPHJP-PWSUYJOCSA-N -1 0 310.419 3.879 20 0 DHADRM CCCN(CCC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829492293 604527505 /nfs/dbraw/zinc/52/75/05/604527505.db2.gz 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/nfs/dbraw/zinc/58/85/70/604588570.db2.gz GFBLFBUOFITBPS-CQSZACIVSA-N -1 0 318.417 3.749 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)c2cccs2)oc1C(=O)[O-] ZINC000832873840 604590245 /nfs/dbraw/zinc/59/02/45/604590245.db2.gz INEXTNREEQYPSF-UWVGGRQHSA-N -1 0 308.355 3.756 20 0 DHADRM CCCc1ncc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000829571440 604590731 /nfs/dbraw/zinc/59/07/31/604590731.db2.gz RTNZEXYOFAOTJM-SECBINFHSA-N -1 0 323.370 3.613 20 0 DHADRM CC1=CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC000833578977 604598336 /nfs/dbraw/zinc/59/83/36/604598336.db2.gz MYUDCRCOUVTUGF-UHFFFAOYSA-N -1 0 302.374 3.692 20 0 DHADRM C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833607286 604599982 /nfs/dbraw/zinc/59/99/82/604599982.db2.gz BZTPZQUBMBIKQC-SMDDNHRTSA-N -1 0 322.430 3.564 20 0 DHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833639885 604600640 /nfs/dbraw/zinc/60/06/40/604600640.db2.gz ZLLIJOJIMAFROZ-VXGBXAGGSA-N -1 0 324.446 3.810 20 0 DHADRM CC(C)C[C@@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833475742 604601525 /nfs/dbraw/zinc/60/15/25/604601525.db2.gz UFJHTLAGMFWWKW-GFCCVEGCSA-N -1 0 324.446 3.810 20 0 DHADRM CCCCc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000315315672 604613149 /nfs/dbraw/zinc/61/31/49/604613149.db2.gz KOXGIZHGHSDJGF-HNNXBMFYSA-N -1 0 304.390 3.500 20 0 DHADRM CS/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832748201 604617070 /nfs/dbraw/zinc/61/70/70/604617070.db2.gz YFJQHBBVPJWXHG-DOGVGXBMSA-N -1 0 321.181 3.539 20 0 DHADRM CC1(C)CCC[C@@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000833558905 604620974 /nfs/dbraw/zinc/62/09/74/604620974.db2.gz QJZHHCXEOKNPDR-SNVBAGLBSA-N -1 0 322.430 3.553 20 0 DHADRM O=C([O-])c1cccc(COC(=O)C2(c3ccccc3)CCC2)c1 ZINC000833783439 604623510 /nfs/dbraw/zinc/62/35/10/604623510.db2.gz GCUNSUIYQWKDFH-UHFFFAOYSA-N -1 0 310.349 3.550 20 0 DHADRM C[C@H]1C[C@H]1c1ccc(CN(c2cccc(C(=O)[O-])n2)C2CC2)o1 ZINC000833605746 604625960 /nfs/dbraw/zinc/62/59/60/604625960.db2.gz 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C[C@@H](CSCCc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000827574421 604799334 /nfs/dbraw/zinc/79/93/34/604799334.db2.gz AGHSYMAHYZMDBK-VIFPVBQESA-N -1 0 308.321 3.582 20 0 DHADRM C[C@@H](CC(=O)[O-])SCCc1cccc(OC(F)(F)F)c1 ZINC000827385104 604799599 /nfs/dbraw/zinc/79/95/99/604799599.db2.gz FWVTYDZBTLHMDM-VIFPVBQESA-N -1 0 308.321 3.724 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832920593 604813390 /nfs/dbraw/zinc/81/33/90/604813390.db2.gz DYJDYUZIAXZQJU-GFCCVEGCSA-N -1 0 315.344 3.632 20 0 DHADRM Cc1oc(COC(=O)[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000833025998 604840030 /nfs/dbraw/zinc/84/00/30/604840030.db2.gz BQMWJEUKVRUAGX-LBPRGKRZSA-N -1 0 320.366 3.511 20 0 DHADRM Cc1c(NC(=O)N[C@H]2CC23CCCCC3)cccc1C(=O)[O-] ZINC000386967275 604842176 /nfs/dbraw/zinc/84/21/76/604842176.db2.gz FHIOBEMAMOOXNF-AWEZNQCLSA-N -1 0 302.374 3.538 20 0 DHADRM Cc1cc(C)cc(CCC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832876418 604854434 /nfs/dbraw/zinc/85/44/34/604854434.db2.gz 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ZINC000833468221 604882287 /nfs/dbraw/zinc/88/22/87/604882287.db2.gz CWAGVGRNRAHPAK-BXKDBHETSA-N -1 0 318.291 3.824 20 0 DHADRM CC1CC(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC000833588842 604882882 /nfs/dbraw/zinc/88/28/82/604882882.db2.gz JQHYRKIUPJYTAX-PVTSGAJSSA-N -1 0 316.275 3.578 20 0 DHADRM CC[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000322213117 604883201 /nfs/dbraw/zinc/88/32/01/604883201.db2.gz WFAFXCLBTXVZBL-CVEARBPZSA-N -1 0 317.429 3.530 20 0 DHADRM CCSc1ccccc1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830174274 604885119 /nfs/dbraw/zinc/88/51/19/604885119.db2.gz GDMWHFQMILQOFE-UHFFFAOYSA-N -1 0 320.341 3.855 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C=C2CCC(C)(C)CC2)C1 ZINC000833557798 604886084 /nfs/dbraw/zinc/88/60/84/604886084.db2.gz LAEGUXSUPWJNFO-HNNXBMFYSA-N -1 0 321.461 3.862 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000388338760 604889792 /nfs/dbraw/zinc/88/97/92/604889792.db2.gz MIWXWVMDHCNTGO-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000679105366 604890449 /nfs/dbraw/zinc/89/04/49/604890449.db2.gz NJICGEFQVDFNEE-OWCLPIDISA-N -1 0 321.461 3.552 20 0 DHADRM CC(C)CC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCCC1 ZINC000322220627 604893920 /nfs/dbraw/zinc/89/39/20/604893920.db2.gz YHZDNNVCJSYQIZ-OAHLLOKOSA-N -1 0 323.477 3.942 20 0 DHADRM O=C([O-])c1cncc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000320501585 604910246 /nfs/dbraw/zinc/91/02/46/604910246.db2.gz YHMAWQHPEAJQRS-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000833132271 604919248 /nfs/dbraw/zinc/91/92/48/604919248.db2.gz ZPKUJLXVKHCBQM-OUCADQQQSA-N -1 0 319.376 3.613 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1F ZINC000833309313 604942131 /nfs/dbraw/zinc/94/21/31/604942131.db2.gz FOAAULPQRSIPHC-AWEZNQCLSA-N -1 0 319.357 3.563 20 0 DHADRM CC(C)Cc1ccc([C@H](C)C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000653321382 604972161 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CCC[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(C)C ZINC000833648073 605030595 /nfs/dbraw/zinc/03/05/95/605030595.db2.gz OTCIWAALFRJMRB-HNNXBMFYSA-N -1 0 307.390 3.551 20 0 DHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC000833409211 605035918 /nfs/dbraw/zinc/03/59/18/605035918.db2.gz JBABBAAWZLCASN-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000048807460 605039516 /nfs/dbraw/zinc/03/95/16/605039516.db2.gz QGIKTJZYBUEYSN-UHFFFAOYSA-N -1 0 306.749 3.673 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000558653039 605044217 /nfs/dbraw/zinc/04/42/17/605044217.db2.gz QUCSCEWHQBXJJF-MAVJXHJTSA-N -1 0 315.413 3.537 20 0 DHADRM CCC[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)C(C)C ZINC000833648882 605046487 /nfs/dbraw/zinc/04/64/87/605046487.db2.gz ZIMYPOGUCURYEN-GFCCVEGCSA-N -1 0 312.435 3.561 20 0 DHADRM Cc1ccc(F)c([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000833749808 605049083 /nfs/dbraw/zinc/04/90/83/605049083.db2.gz WIJIEDQNPPCCCN-RWMBFGLXSA-N -1 0 308.349 3.629 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(Cl)cc1 ZINC000833482051 605054128 /nfs/dbraw/zinc/05/41/28/605054128.db2.gz AIXHBTKRXGREHF-GWCFXTLKSA-N -1 0 313.781 3.627 20 0 DHADRM CC(C)CC1(C(=O)OCc2ccccc2CC(=O)[O-])CCC1 ZINC000833481497 605056271 /nfs/dbraw/zinc/05/62/71/605056271.db2.gz VOSSGDNICPHGLL-UHFFFAOYSA-N -1 0 304.386 3.573 20 0 DHADRM COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000833730816 605065298 /nfs/dbraw/zinc/06/52/98/605065298.db2.gz OURNJGZUNZQTKH-NEPJUHHUSA-N -1 0 303.358 3.707 20 0 DHADRM COc1ccc(C)cc1[C@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC000833730839 605065663 /nfs/dbraw/zinc/06/56/63/605065663.db2.gz PCMKWRVJIQPHSG-LBPRGKRZSA-N -1 0 317.360 3.692 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000630295903 605067622 /nfs/dbraw/zinc/06/76/22/605067622.db2.gz WDTVAQKOJCSJPA-IJEWVQPXSA-N -1 0 317.429 3.671 20 0 DHADRM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@](F)(C(=O)[O-])C1 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DHADRM O=C([O-])c1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000833783195 605127890 /nfs/dbraw/zinc/12/78/90/605127890.db2.gz XPARSWMVNCCXMS-MRXNPFEDSA-N -1 0 313.328 3.656 20 0 DHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000040552389 605128607 /nfs/dbraw/zinc/12/86/07/605128607.db2.gz XOIXTDGBDPDLCZ-NXEZZACHSA-N -1 0 310.781 3.548 20 0 DHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CC1 ZINC000833514010 605134503 /nfs/dbraw/zinc/13/45/03/605134503.db2.gz MPZRLHRUEZKGAM-SECBINFHSA-N -1 0 322.792 3.833 20 0 DHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000383681514 605135099 /nfs/dbraw/zinc/13/50/99/605135099.db2.gz ZKLCLZHTFXUOAV-LLVKDONJSA-N -1 0 316.332 3.749 20 0 DHADRM CC(C)(C)C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000833430129 605147895 /nfs/dbraw/zinc/14/78/95/605147895.db2.gz UBCITFPADQJJFS-LLVKDONJSA-N -1 0 324.377 3.857 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194417637 605149819 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CC[C@H](Cc1cccc(C)c1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589561145 948809414 /nfs/dbraw/zinc/80/94/14/948809414.db2.gz IWXJYKSPYINVHP-CQSZACIVSA-N -1 0 314.385 3.621 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001589561273 948813508 /nfs/dbraw/zinc/81/35/08/948813508.db2.gz OXFJNTZHYFAFBR-MRXNPFEDSA-N -1 0 319.445 3.571 20 0 DHADRM CCC(F)(F)c1ccccc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001589562151 948828422 /nfs/dbraw/zinc/82/84/22/948828422.db2.gz REVBVZPMXBKGIE-OAHLLOKOSA-N -1 0 311.328 3.628 20 0 DHADRM CC(C)Oc1ccc(NC(=O)CCCCC(=O)[O-])cc1Cl ZINC000037795153 948841929 /nfs/dbraw/zinc/84/19/29/948841929.db2.gz FWDFMDMWAZKHKU-UHFFFAOYSA-N -1 0 313.781 3.711 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000037833352 948844963 /nfs/dbraw/zinc/84/49/63/948844963.db2.gz WUZLDDQMUSWTOU-CQSZACIVSA-N -1 0 309.793 3.649 20 0 DHADRM Cc1cc(NC(=O)CSCc2cccs2)ccc1C(=O)[O-] ZINC000044749975 948902747 /nfs/dbraw/zinc/90/27/47/948902747.db2.gz KDWSYSRSFOOGMU-UHFFFAOYSA-N -1 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O=C([O-])c1ccccc1CC(=O)N(c1ccccc1)C1CCC1 ZINC001595254103 949575051 /nfs/dbraw/zinc/57/50/51/949575051.db2.gz WXQWDFDKKDALSO-UHFFFAOYSA-N -1 0 309.365 3.513 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)C1(Sc2ccccc2)CC1 ZINC001595255310 949594047 /nfs/dbraw/zinc/59/40/47/949594047.db2.gz NJWFRSDTQQCSOW-UHFFFAOYSA-N -1 0 313.378 3.648 20 0 DHADRM CCCC1(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001589635317 949611899 /nfs/dbraw/zinc/61/18/99/949611899.db2.gz FSJZEUHIIHBBFZ-UHFFFAOYSA-N -1 0 301.386 3.634 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589638045 949638749 /nfs/dbraw/zinc/63/87/49/949638749.db2.gz WIHJBGFYZQZBGY-BZUAXINKSA-N -1 0 324.465 3.632 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589640376 949682316 /nfs/dbraw/zinc/68/23/16/949682316.db2.gz FBVQGKGUEFPDCB-LBPRGKRZSA-N -1 0 307.394 3.508 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589641617 949695506 /nfs/dbraw/zinc/69/55/06/949695506.db2.gz 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O=C([O-])/C=C\c1cc(C(=O)O[C@H](c2ccccc2)C(F)F)co1 ZINC001594972467 950871264 /nfs/dbraw/zinc/87/12/64/950871264.db2.gz VYFOZFHTBITURY-LMVHVUTASA-N -1 0 322.263 3.541 20 0 DHADRM O=C([O-])CC1(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)CCC1 ZINC001594978042 950950178 /nfs/dbraw/zinc/95/01/78/950950178.db2.gz FNDYGEILMWVKIA-CYBMUJFWSA-N -1 0 308.761 3.516 20 0 DHADRM CCON(CCOc1ccccc1C(=O)[O-])CC1CCCCC1 ZINC001591997107 951264443 /nfs/dbraw/zinc/26/44/43/951264443.db2.gz ARSXFACOSSTYQC-UHFFFAOYSA-N -1 0 321.417 3.597 20 0 DHADRM O=C([O-])CCCCC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001595031547 951372108 /nfs/dbraw/zinc/37/21/08/951372108.db2.gz PQRLAWIEUXJUPG-SFHVURJKSA-N -1 0 313.397 3.551 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001595035040 951397477 /nfs/dbraw/zinc/39/74/77/951397477.db2.gz RPZWZNFJYZUPGM-UHFFFAOYSA-N -1 0 320.776 3.714 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc3cccnc3c2)c1 ZINC001595064208 951535046 /nfs/dbraw/zinc/53/50/46/951535046.db2.gz IUTHBSVPOMZDQD-UHFFFAOYSA-N 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CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013092098 956942415 /nfs/dbraw/zinc/94/24/15/956942415.db2.gz SLHNSCZPZFJETJ-QGZVFWFLSA-N -1 0 311.381 3.585 20 0 DHADRM Cc1ccc(SCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094585 956945438 /nfs/dbraw/zinc/94/54/38/956945438.db2.gz WASFAIOPBFUSNE-UHFFFAOYSA-N -1 0 315.394 3.814 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(F)cc1 ZINC000013169918 956953118 /nfs/dbraw/zinc/95/31/18/956953118.db2.gz CMMALVVIFDMPER-UHFFFAOYSA-N -1 0 319.357 3.563 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1ccc(F)cc1 ZINC000013171393 956954811 /nfs/dbraw/zinc/95/48/11/956954811.db2.gz ZGFQHYRWYRBMGG-UHFFFAOYSA-N -1 0 323.323 3.858 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1C ZINC000013186981 956969469 /nfs/dbraw/zinc/96/94/69/956969469.db2.gz CNPFYEUZASOSSE-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CC(C)Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000907614741 956978918 /nfs/dbraw/zinc/97/89/18/956978918.db2.gz HHSMOLPQCVQIIF-UHFFFAOYSA-N -1 0 323.458 3.664 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603142122 972232855 /nfs/dbraw/zinc/23/28/55/972232855.db2.gz JLHPIABAFCCWKY-LBPRGKRZSA-N -1 0 319.405 3.650 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013260233 956998246 /nfs/dbraw/zinc/99/82/46/956998246.db2.gz YOTWVCIWWIHKOM-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM C[C@H](CCNC(=O)c1coc(/C=C/C(=O)[O-])c1)CC(C)(C)C ZINC001603142396 972233943 /nfs/dbraw/zinc/23/39/43/972233943.db2.gz AYEFPCFNUMZYMN-BTDICHCPSA-N -1 0 307.390 3.570 20 0 DHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccccc1Cl ZINC000013390288 957043746 /nfs/dbraw/zinc/04/37/46/957043746.db2.gz LDXVBOSJYBDORR-UHFFFAOYSA-N -1 0 315.756 3.631 20 0 DHADRM CN(C(=O)c1cccc(Cl)c1Cl)c1ccccc1C(=O)[O-] ZINC000013441108 957080368 /nfs/dbraw/zinc/08/03/68/957080368.db2.gz HJDFANSWFQCPGX-UHFFFAOYSA-N -1 0 324.163 3.968 20 0 DHADRM CC(C)c1cccc(NC(=O)COc2ccc(C(=O)[O-])cc2)c1 ZINC000013456830 957090336 /nfs/dbraw/zinc/09/03/36/957090336.db2.gz GEOCGCCTRWSKNC-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013796034 957095562 /nfs/dbraw/zinc/09/55/62/957095562.db2.gz MQGXRQFYAOPUHV-UHFFFAOYSA-N -1 0 316.382 3.592 20 0 DHADRM CC[C@H]1CCCCN1c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000020327791 957136459 /nfs/dbraw/zinc/13/64/59/957136459.db2.gz UFPLGORNUZPIOH-NSHDSACASA-N -1 0 319.430 3.775 20 0 DHADRM CCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000021009170 957147915 /nfs/dbraw/zinc/14/79/15/957147915.db2.gz ATZBLUHKWFSVHC-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM CC(C)(C)SCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000021500979 957150667 /nfs/dbraw/zinc/15/06/67/957150667.db2.gz YSFLEXCVVVPUIK-UHFFFAOYSA-N -1 0 301.795 3.508 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1F ZINC000022148263 957154346 /nfs/dbraw/zinc/15/43/46/957154346.db2.gz MZCZCHCQDNXQHF-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000024098800 957160276 /nfs/dbraw/zinc/16/02/76/957160276.db2.gz ZNJHLQOEXMADHF-KRWDZBQOSA-N -1 0 324.380 3.607 20 0 DHADRM Cc1oc(COc2ccccc2Br)cc1C(=O)[O-] ZINC000035430850 957210975 /nfs/dbraw/zinc/21/09/75/957210975.db2.gz IWUHKUAOMNMTCQ-UHFFFAOYSA-N -1 0 311.131 3.628 20 0 DHADRM Cc1ccc(Cl)c(OCCOc2cccc(C(=O)[O-])c2)c1 ZINC000035731786 957223315 /nfs/dbraw/zinc/22/33/15/957223315.db2.gz XYAOKTJJJINMDJ-UHFFFAOYSA-N -1 0 306.745 3.804 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)s2)c(F)cc1F ZINC000037402028 957273856 /nfs/dbraw/zinc/27/38/56/957273856.db2.gz HWHJUPQSPQUKCR-UHFFFAOYSA-N -1 0 317.700 3.630 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000037402854 957275454 /nfs/dbraw/zinc/27/54/54/957275454.db2.gz BKFDETYPXGIYBB-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OCCSc1ccccc1 ZINC000038078682 957355121 /nfs/dbraw/zinc/35/51/21/957355121.db2.gz MSFGIIXYUITUOL-UHFFFAOYSA-N -1 0 304.367 3.565 20 0 DHADRM Cc1c(Cl)cccc1NC(=O)NCCCCCCC(=O)[O-] ZINC000040535704 957374259 /nfs/dbraw/zinc/37/42/59/957374259.db2.gz FSWPNSOYMCGKRN-UHFFFAOYSA-N -1 0 312.797 3.805 20 0 DHADRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000040549364 957374647 /nfs/dbraw/zinc/37/46/47/957374647.db2.gz XQXCYSOAPBEBKJ-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccc(F)c(F)c1F ZINC000046485599 957454775 /nfs/dbraw/zinc/45/47/75/957454775.db2.gz UKZBVWMTQPHHJA-IZZDOVSWSA-N -1 0 320.270 3.503 20 0 DHADRM O=C([O-])Cc1cccc(NCc2c(Cl)cncc2Cl)c1 ZINC001574738273 957676303 /nfs/dbraw/zinc/67/63/03/957676303.db2.gz BCAKUXVWSJYZGD-UHFFFAOYSA-N -1 0 311.168 3.628 20 0 DHADRM O=C([O-])COc1cccc(C(=O)Oc2ccc3ccccc3c2)c1 ZINC001574738696 957680169 /nfs/dbraw/zinc/68/01/69/957680169.db2.gz HPZAFFANPACULN-UHFFFAOYSA-N -1 0 322.316 3.522 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC001574770692 957757021 /nfs/dbraw/zinc/75/70/21/957757021.db2.gz QSBOFBSVZITILG-IAGOWNOFSA-N -1 0 310.349 3.508 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC001594282337 957758815 /nfs/dbraw/zinc/75/88/15/957758815.db2.gz RTVIREDJOXNEAT-ZDUSSCGKSA-N -1 0 309.365 3.532 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2c3ccccc3CC2(C)C)c1 ZINC001594286972 957787789 /nfs/dbraw/zinc/78/77/89/957787789.db2.gz RZSIHTMXGMKPLC-UHFFFAOYSA-N -1 0 309.365 3.675 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CC23CCCC3)c1Cl ZINC001574787806 957792012 /nfs/dbraw/zinc/79/20/12/957792012.db2.gz HXOOJJLZRUHEFD-QMMMGPOBSA-N -1 0 311.740 3.696 20 0 DHADRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@H]2C2CCC2)sc2c1CCCC2 ZINC001574788112 957794269 /nfs/dbraw/zinc/79/42/69/957794269.db2.gz MUWUSWBHXZZUBT-NWDGAFQWSA-N -1 0 319.426 3.700 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(C(C)(C)C)nc2)c1 ZINC001594288351 957796660 /nfs/dbraw/zinc/79/66/60/957796660.db2.gz LNPVXSUNKRQLJF-UHFFFAOYSA-N -1 0 312.369 3.638 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3ccsc3s2)c1 ZINC001594288919 957804562 /nfs/dbraw/zinc/80/45/62/957804562.db2.gz KSARCHJDGXNUNA-UHFFFAOYSA-N -1 0 318.379 3.617 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)N(c2ccccc2)C2CCC2)o1 ZINC001574799879 957832520 /nfs/dbraw/zinc/83/25/20/957832520.db2.gz LSIIQOUAFWPVAL-ZRDIBKRKSA-N -1 0 311.337 3.577 20 0 DHADRM O=C([O-])c1cccc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001574807089 957858773 /nfs/dbraw/zinc/85/87/73/957858773.db2.gz FEJFVVOSUYLCRG-ROUUACIJSA-N -1 0 323.392 3.699 20 0 DHADRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000084146822 957860975 /nfs/dbraw/zinc/86/09/75/957860975.db2.gz HIKZXSROCKMXSX-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM O=Cc1cc(Cl)c(F)cc1OCc1cccc(C(=O)[O-])c1 ZINC001574827404 957948504 /nfs/dbraw/zinc/94/85/04/957948504.db2.gz OEXTYYOHDQCVME-UHFFFAOYSA-N -1 0 308.692 3.569 20 0 DHADRM Cc1sc2ncnc(SCC3(CC(=O)[O-])CC3)c2c1C ZINC000088113316 958044904 /nfs/dbraw/zinc/04/49/04/958044904.db2.gz SPCDVVVGAHYFOZ-UHFFFAOYSA-N -1 0 308.428 3.655 20 0 DHADRM Cc1cc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC001594316395 958066672 /nfs/dbraw/zinc/06/66/72/958066672.db2.gz RLIFRABRVKESDH-OAUYIBNBSA-N -1 0 309.365 3.681 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC001594317606 958084895 /nfs/dbraw/zinc/08/48/95/958084895.db2.gz LKNKMTBBPDIUHT-INIZCTEOSA-N -1 0 324.380 3.542 20 0 DHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(C)c1Cl ZINC001594317740 958087995 /nfs/dbraw/zinc/08/79/95/958087995.db2.gz ASYSJMGFGYRQRX-RYUDHWBXSA-N -1 0 324.808 3.674 20 0 DHADRM COc1ccc([C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC000090310674 958108232 /nfs/dbraw/zinc/10/82/32/958108232.db2.gz LMZZDVDMSSNODA-SECBINFHSA-N -1 0 306.749 3.615 20 0 DHADRM COc1cc(NCc2cccc(C(=O)[O-])c2)cc2cccnc21 ZINC001594066434 958137073 /nfs/dbraw/zinc/13/70/73/958137073.db2.gz LAXASVMXVFFYME-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM Cc1cc(NC(=O)c2c[nH]c3cccc(F)c32)ccc1C(=O)[O-] ZINC001594324848 958153086 /nfs/dbraw/zinc/15/30/86/958153086.db2.gz UDVHHTVSMXBEIO-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001603211037 972325831 /nfs/dbraw/zinc/32/58/31/972325831.db2.gz SEBAOVQTUMQIRO-VURMDHGXSA-N -1 0 321.279 3.741 20 0 DHADRM O=C([O-])CC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000093680064 958248545 /nfs/dbraw/zinc/24/85/45/958248545.db2.gz LUAAGGSDMXKHEE-UHFFFAOYSA-N -1 0 304.777 3.579 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(F)ccc1Cl ZINC000098062727 958355068 /nfs/dbraw/zinc/35/50/68/958355068.db2.gz PPSFJIZGMXYODT-UHFFFAOYSA-N -1 0 310.708 3.765 20 0 DHADRM Cc1ccc(C)c(N(C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594352031 958371809 /nfs/dbraw/zinc/37/18/09/958371809.db2.gz SDBWCZAPSBSZNT-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC001594354529 958400583 /nfs/dbraw/zinc/40/05/83/958400583.db2.gz CIXRTTVRVYMUOX-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC001594372558 958547170 /nfs/dbraw/zinc/54/71/70/958547170.db2.gz CFKMNFLXVYACLB-DOTOQJQBSA-N -1 0 324.380 3.738 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588480802 958590634 /nfs/dbraw/zinc/59/06/34/958590634.db2.gz KSBSJLHDWSUZEB-AKMXKPQHSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001573363729 958609564 /nfs/dbraw/zinc/60/95/64/958609564.db2.gz MCULTQKLNJHUCU-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001588486997 958618206 /nfs/dbraw/zinc/61/82/06/958618206.db2.gz DXMOGDIRGFUFHQ-XYOKQWHBSA-N -1 0 323.820 3.703 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588489166 958641400 /nfs/dbraw/zinc/64/14/00/958641400.db2.gz XWKCTAXWAOZZTJ-SBZOKTBKSA-N -1 0 321.804 3.598 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)C=C1CCC(C(C)(C)C)CC1)C1CC1 ZINC001573374307 958648188 /nfs/dbraw/zinc/64/81/88/958648188.db2.gz IEBJBDJZMDQXLV-NBFOIZRFSA-N -1 0 307.434 3.613 20 0 DHADRM COc1cccc(OC)c1SCc1cccc(C(=O)[O-])c1 ZINC001594131364 958673917 /nfs/dbraw/zinc/67/39/17/958673917.db2.gz DRURNHXSJZUKTF-UHFFFAOYSA-N -1 0 304.367 3.694 20 0 DHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C(=O)[O-])c1 ZINC001594391533 958730790 /nfs/dbraw/zinc/73/07/90/958730790.db2.gz GOKQLYHNAPURMG-CJNGLKHVSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc([C@H](NC(=O)CCCC2CCCC2)C(=O)[O-])c1 ZINC001594391988 958737758 /nfs/dbraw/zinc/73/77/58/958737758.db2.gz NDUREYMKRNRKRV-KRWDZBQOSA-N -1 0 303.402 3.597 20 0 DHADRM COc1nccc2cc(NCc3ccc(C(=O)[O-])cc3)ccc21 ZINC001594160348 958876636 /nfs/dbraw/zinc/87/66/36/958876636.db2.gz CFTCBOKGVIRMJY-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM Cc1cccc(NC(=O)NCc2ccccc2C(=O)[O-])c1Cl ZINC001594407968 958916773 /nfs/dbraw/zinc/91/67/73/958916773.db2.gz XVZCTNPFUBXNGL-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM CC(C)(CCNC(=O)C1=C(c2ccccc2)CCCC1)C(=O)[O-] ZINC001573470024 958946445 /nfs/dbraw/zinc/94/64/45/958946445.db2.gz LYCQVPLYJSVMNC-UHFFFAOYSA-N -1 0 315.413 3.631 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCCCc1cccc2ccccc21 ZINC001573489648 959004224 /nfs/dbraw/zinc/00/42/24/959004224.db2.gz HDUSNUFDVGKVSG-KRWDZBQOSA-N -1 0 314.381 3.672 20 0 DHADRM Cc1ccccc1N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C(C)C ZINC001594417833 959023629 /nfs/dbraw/zinc/02/36/29/959023629.db2.gz FSDPCCJDAYCCEU-PKNBQFBNSA-N -1 0 313.353 3.741 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)N(CC1CCCCC1)CC1CCCCC1 ZINC001588563691 959116008 /nfs/dbraw/zinc/11/60/08/959116008.db2.gz YMENHKRJKIKTRU-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594425501 959117161 /nfs/dbraw/zinc/11/71/61/959117161.db2.gz KQYWVKFQOMGLLQ-GHMZBOCLSA-N -1 0 319.357 3.636 20 0 DHADRM CC(C)C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573529271 959157520 /nfs/dbraw/zinc/15/75/20/959157520.db2.gz LCIVKMRXHLWVDY-BRWVUGGUSA-N -1 0 317.429 3.576 20 0 DHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594190029 959165556 /nfs/dbraw/zinc/16/55/56/959165556.db2.gz NOZLSNFRDMPILU-DTWKUNHWSA-N -1 0 313.806 3.501 20 0 DHADRM CSc1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1C ZINC001594196809 959202609 /nfs/dbraw/zinc/20/26/09/959202609.db2.gz YLJFGEAPVVBKQW-VOTSOKGWSA-N -1 0 317.366 3.660 20 0 DHADRM Cc1coc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc12 ZINC001594436097 959235525 /nfs/dbraw/zinc/23/55/25/959235525.db2.gz SJFLSUZZQBKWIM-HWKANZROSA-N -1 0 311.293 3.684 20 0 DHADRM C[C@@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573577277 959334565 /nfs/dbraw/zinc/33/45/65/959334565.db2.gz SVIQYXRFUCHJCJ-DZGCQCFKSA-N -1 0 305.418 3.576 20 0 DHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1C(F)(F)F ZINC000174591723 959421344 /nfs/dbraw/zinc/42/13/44/959421344.db2.gz VHNKFIZHSCVGCU-UHFFFAOYSA-N -1 0 317.307 3.843 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OCc1ccc(Cl)c2ccccc12 ZINC001594231256 959473684 /nfs/dbraw/zinc/47/36/84/959473684.db2.gz NCAIWQHLUDBYSQ-BMLIUANNSA-N -1 0 318.756 3.647 20 0 DHADRM O=C([O-])c1cnc(/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000187640644 959507922 /nfs/dbraw/zinc/50/79/22/959507922.db2.gz MGPIWCRZQKEWNA-DUXPYHPUSA-N -1 0 310.718 3.573 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1C ZINC000190655514 959515800 /nfs/dbraw/zinc/51/58/00/959515800.db2.gz YUMPBYXQFJGMNU-MRXNPFEDSA-N -1 0 317.429 3.858 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000191058435 959537901 /nfs/dbraw/zinc/53/79/01/959537901.db2.gz XHWIDXYRPJCXSW-CYBMUJFWSA-N -1 0 319.307 3.795 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594244487 959556663 /nfs/dbraw/zinc/55/66/63/959556663.db2.gz XLVSPAVTKHQRMT-SJKOYZFVSA-N -1 0 321.804 3.671 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191413814 959563001 /nfs/dbraw/zinc/56/30/01/959563001.db2.gz YTPYTMRISJIIRH-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1F ZINC000191442371 959567945 /nfs/dbraw/zinc/56/79/45/959567945.db2.gz SVJLTRWRLQYMRT-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)c1ccc(C[C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000192971845 959600322 /nfs/dbraw/zinc/60/03/22/959600322.db2.gz ZFYCLUDLYISERF-AWEZNQCLSA-N -1 0 319.445 3.748 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC001588631448 959615617 /nfs/dbraw/zinc/61/56/17/959615617.db2.gz LCCODDVHMVUJKD-AWEZNQCLSA-N -1 0 323.820 3.578 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC001588631449 959615792 /nfs/dbraw/zinc/61/57/92/959615792.db2.gz LCCODDVHMVUJKD-CQSZACIVSA-N -1 0 323.820 3.578 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2ccccc2Br)s1 ZINC000206734396 959663313 /nfs/dbraw/zinc/66/33/13/959663313.db2.gz CSARYXIBJMTNNA-WAYWQWQTSA-N -1 0 310.172 3.774 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC001588636241 959664449 /nfs/dbraw/zinc/66/44/49/959664449.db2.gz ZKWJOQJFUKWXNU-MCIONIFRSA-N -1 0 311.466 3.702 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573667004 959696098 /nfs/dbraw/zinc/69/60/98/959696098.db2.gz ANHIMLMRYCDMRK-CJNGLKHVSA-N -1 0 321.392 3.674 20 0 DHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573667003 959696259 /nfs/dbraw/zinc/69/62/59/959696259.db2.gz ANHIMLMRYCDMRK-BBRMVZONSA-N -1 0 321.392 3.674 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)/C=C/CCc1ccccc1)C(=O)[O-] ZINC001588645978 959737247 /nfs/dbraw/zinc/73/72/47/959737247.db2.gz TYMJRRKRMUKVRM-RCLKMUNOSA-N -1 0 317.429 3.571 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC001588647168 959743767 /nfs/dbraw/zinc/74/37/67/959743767.db2.gz CQUAKYQLEGCYFW-MRXNPFEDSA-N -1 0 315.413 3.655 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-] ZINC001588652747 959783002 /nfs/dbraw/zinc/78/30/02/959783002.db2.gz FALLEVITUPQPII-ZDUSSCGKSA-N -1 0 323.458 3.636 20 0 DHADRM C[C@H]1C[C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H](C)C1 ZINC001573698056 959797213 /nfs/dbraw/zinc/79/72/13/959797213.db2.gz FCLWWTXZIUXGRS-ITGUQSILSA-N -1 0 304.390 3.579 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573698129 959799111 /nfs/dbraw/zinc/79/91/11/959799111.db2.gz HQFVUTMOXLVAQG-IUODEOHRSA-N -1 0 303.402 3.672 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001573711299 959851072 /nfs/dbraw/zinc/85/10/72/959851072.db2.gz LEWSLWOBJQNIQQ-AOSQPNEPSA-N -1 0 316.401 3.737 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588658058 960420682 /nfs/dbraw/zinc/42/06/82/960420682.db2.gz OEKHSFANNUOANX-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM COc1ccccc1[C@@H](CC(C)C)OC(=O)CCCC(=O)[O-] ZINC001574237519 960439482 /nfs/dbraw/zinc/43/94/82/960439482.db2.gz XBHWDNRVSHXFBF-OAHLLOKOSA-N -1 0 308.374 3.581 20 0 DHADRM C[C@@H](SCCC(=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC001603281290 972511669 /nfs/dbraw/zinc/51/16/69/972511669.db2.gz LBFCFICXOFFJSR-MRVPVSSYSA-N -1 0 312.778 3.659 20 0 DHADRM O=C([O-])c1ccc(F)c(CN2CCc3ccc(Cl)cc3C2)c1 ZINC001231456460 960605443 /nfs/dbraw/zinc/60/54/43/960605443.db2.gz ZKKHBKVHDLXAHK-UHFFFAOYSA-N -1 0 319.763 3.736 20 0 DHADRM O=C([O-])CCc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001213619796 960606132 /nfs/dbraw/zinc/60/61/32/960606132.db2.gz YQANJVLBEVKGBT-UHFFFAOYSA-N -1 0 310.275 3.861 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(-c2cccs2)s1 ZINC001574273996 960616063 /nfs/dbraw/zinc/61/60/63/960616063.db2.gz WQVVFJROUKDNHF-NXEZZACHSA-N -1 0 321.423 3.554 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000236452402 960623588 /nfs/dbraw/zinc/62/35/88/960623588.db2.gz YXHGSTDMXZMPRC-MRVPVSSYSA-N -1 0 322.213 3.524 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2sccc2s1 ZINC001605808419 972522740 /nfs/dbraw/zinc/52/27/40/972522740.db2.gz CNWJLUDNENXTPS-UHFFFAOYSA-N -1 0 317.391 3.591 20 0 DHADRM CC(C)C[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000236614670 960717919 /nfs/dbraw/zinc/71/79/19/960717919.db2.gz NNIDKYGAABMUNG-DYVFJYSZSA-N -1 0 313.397 3.559 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000236701836 960736338 /nfs/dbraw/zinc/73/63/38/960736338.db2.gz YMGQMQUKXHMKTM-UHFFFAOYSA-N -1 0 323.389 3.532 20 0 DHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236735968 960746454 /nfs/dbraw/zinc/74/64/54/960746454.db2.gz UWGOKBFSDDJAJE-AWEZNQCLSA-N -1 0 303.383 3.573 20 0 DHADRM CCCCC[C@H](C)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000236857892 960778157 /nfs/dbraw/zinc/77/81/57/960778157.db2.gz HVQYEVDDFOGNBU-ZDUSSCGKSA-N -1 0 307.390 3.695 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC[C@H]2CCCC2(C)C)c1 ZINC001574317911 960796562 /nfs/dbraw/zinc/79/65/62/960796562.db2.gz AJHPSPUUFHVEJD-OAHLLOKOSA-N -1 0 303.402 3.639 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236914754 960797496 /nfs/dbraw/zinc/79/74/96/960797496.db2.gz WLZKZXHCWFLZJZ-AWEZNQCLSA-N -1 0 317.410 3.646 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000236962373 960814806 /nfs/dbraw/zinc/81/48/06/960814806.db2.gz XJPNHNSTBROOAO-LLVKDONJSA-N -1 0 307.733 3.512 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000236972842 960818475 /nfs/dbraw/zinc/81/84/75/960818475.db2.gz XBNOEIVQZHERFU-ZDUSSCGKSA-N -1 0 311.381 3.998 20 0 DHADRM Cc1cc(C)c(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C)c1 ZINC001574322335 960830758 /nfs/dbraw/zinc/83/07/58/960830758.db2.gz NFYIRKBFSOVJHV-MRXNPFEDSA-N -1 0 319.445 3.550 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)CCCCCC2 ZINC000237128233 960876669 /nfs/dbraw/zinc/87/66/69/960876669.db2.gz RQNIOGZRWVUCHD-QGZVFWFLSA-N -1 0 323.458 3.780 20 0 DHADRM Cc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC001574341547 960942993 /nfs/dbraw/zinc/94/29/93/960942993.db2.gz XETNUDZTMSZNKN-DLBZAZTESA-N -1 0 309.365 3.711 20 0 DHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237596342 960968942 /nfs/dbraw/zinc/96/89/42/960968942.db2.gz YQJQGCBLHVAEMN-NSHDSACASA-N -1 0 309.321 3.622 20 0 DHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237606175 960972675 /nfs/dbraw/zinc/97/26/75/960972675.db2.gz HEEKYKIRBLFBIZ-LBPRGKRZSA-N -1 0 323.348 3.964 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001321024754 960994301 /nfs/dbraw/zinc/99/43/01/960994301.db2.gz OFKDONYDMXGQFK-GOEBONIOSA-N -1 0 305.418 3.843 20 0 DHADRM CC[C@@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001573829571 961001332 /nfs/dbraw/zinc/00/13/32/961001332.db2.gz BJFBPSIPWWHAQG-WCBMZHEXSA-N -1 0 313.394 3.648 20 0 DHADRM Cc1ccc(Cl)c(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001574368334 961056052 /nfs/dbraw/zinc/05/60/52/961056052.db2.gz XAEFNDYHAYGXMZ-QPJJXVBHSA-N -1 0 306.701 3.558 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000237980355 961063390 /nfs/dbraw/zinc/06/33/90/961063390.db2.gz JAGYQTBOXYAEBS-INIZCTEOSA-N -1 0 313.328 3.501 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573840784 961072206 /nfs/dbraw/zinc/07/22/06/961072206.db2.gz KPUWYCCQZKKCPS-MYSGNRETSA-N -1 0 305.374 3.562 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573840783 961072311 /nfs/dbraw/zinc/07/23/11/961072311.db2.gz KPUWYCCQZKKCPS-CKXPSTMWSA-N -1 0 305.374 3.562 20 0 DHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)C(=O)[O-] ZINC001573843091 961095060 /nfs/dbraw/zinc/09/50/60/961095060.db2.gz QZJAFSFOONMYBP-GFCCVEGCSA-N -1 0 311.809 3.580 20 0 DHADRM CCCCN(C)c1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573843072 961095648 /nfs/dbraw/zinc/09/56/48/961095648.db2.gz OXMXIVBSYNOTOW-HNNXBMFYSA-N -1 0 320.433 3.608 20 0 DHADRM O=C([O-])CCCCCCNC(=O)Cc1ccc2ccccc2c1 ZINC000238118045 961107040 /nfs/dbraw/zinc/10/70/40/961107040.db2.gz FTLZAZDXPCOCOM-UHFFFAOYSA-N -1 0 313.397 3.534 20 0 DHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001573849175 961121214 /nfs/dbraw/zinc/12/12/14/961121214.db2.gz PGWJXKQVGSKRGE-INIZCTEOSA-N -1 0 323.433 3.690 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N(CC(=O)[O-])C(C)C)c2)c1 ZINC001574382947 961123077 /nfs/dbraw/zinc/12/30/77/961123077.db2.gz AVWRPBMHTSIUCN-UHFFFAOYSA-N -1 0 311.381 3.597 20 0 DHADRM Cc1ccc2sc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])cc2c1 ZINC001574382888 961123193 /nfs/dbraw/zinc/12/31/93/961123193.db2.gz ADEFBDTVMZAFNE-DGCLKSJQSA-N -1 0 317.410 3.678 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c2)c1 ZINC001574384432 961126284 /nfs/dbraw/zinc/12/62/84/961126284.db2.gz MTDPTPBWEJYZLB-QGZVFWFLSA-N -1 0 311.381 3.501 20 0 DHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CC=C(C(F)(F)F)CC1 ZINC001326813710 961129369 /nfs/dbraw/zinc/12/93/69/961129369.db2.gz YIWXENXVIBJNKT-GFCCVEGCSA-N -1 0 319.710 3.660 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@H](C)[C@H](C)C(C)(C)C)C(=O)[O-])c1 ZINC001574386841 961134773 /nfs/dbraw/zinc/13/47/73/961134773.db2.gz BDPBPEAXMORZKD-IPYPFGDCSA-N -1 0 305.418 3.555 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001588739781 961161374 /nfs/dbraw/zinc/16/13/74/961161374.db2.gz UDBMYOLPGQNAMG-DHZHZOJOSA-N -1 0 324.380 3.729 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001588741065 961166104 /nfs/dbraw/zinc/16/61/04/961166104.db2.gz KGZNXGDNRKCZCH-QGZVFWFLSA-N -1 0 307.365 3.563 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2cccc3ccccc32)C(=O)[O-])c1 ZINC001574391147 961180826 /nfs/dbraw/zinc/18/08/26/961180826.db2.gz ITBYRFYAPOALEU-SFHVURJKSA-N -1 0 319.360 3.704 20 0 DHADRM Cc1cccc(Cl)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574398387 961224509 /nfs/dbraw/zinc/22/45/09/961224509.db2.gz MCJOKLILSYHAKH-GFCCVEGCSA-N -1 0 311.809 3.658 20 0 DHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001573881100 961276297 /nfs/dbraw/zinc/27/62/97/961276297.db2.gz JVZNXOAQTAQWLC-UHFFFAOYSA-N -1 0 317.772 3.701 20 0 DHADRM Cc1c2ccccc2oc1C(=O)NCCCCCCC(=O)[O-] ZINC000261637731 961384864 /nfs/dbraw/zinc/38/48/64/961384864.db2.gz IHDBMYGOONEAHH-UHFFFAOYSA-N -1 0 303.358 3.506 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C1(C)C ZINC001588797801 961407410 /nfs/dbraw/zinc/40/74/10/961407410.db2.gz VZCSZQGYQPCCNQ-HZSPNIEDSA-N -1 0 309.450 3.621 20 0 DHADRM CC(C)C1CCC(NC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262139774 961494138 /nfs/dbraw/zinc/49/41/38/961494138.db2.gz LTFQWEIRYCYTMN-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262172392 961521538 /nfs/dbraw/zinc/52/15/38/961521538.db2.gz QRAKRMHRBIZXTQ-UHFFFAOYSA-N -1 0 321.442 3.514 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000262273211 961610026 /nfs/dbraw/zinc/61/00/26/961610026.db2.gz WZNFOXXQMDYWMR-KRWDZBQOSA-N -1 0 311.381 3.836 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CC2=CCCCC2)cc1 ZINC001333519609 961711712 /nfs/dbraw/zinc/71/17/12/961711712.db2.gz ABBBXWARLHGBKH-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000262696696 961812266 /nfs/dbraw/zinc/81/22/66/961812266.db2.gz GLTIIZWCMSGCJJ-ULQDDVLXSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001588842045 961814717 /nfs/dbraw/zinc/81/47/17/961814717.db2.gz UYANUGFKXSPKHB-RVKKMQEKSA-N -1 0 307.434 3.519 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCCc3ccccc32)CC1 ZINC000262715421 961821270 /nfs/dbraw/zinc/82/12/70/961821270.db2.gz NGVKIKMPFIFZNO-WKILWMFISA-N -1 0 315.413 3.637 20 0 DHADRM CCCC[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000262719999 961825520 /nfs/dbraw/zinc/82/55/20/961825520.db2.gz UWYCHUTVVWXWNX-CYBMUJFWSA-N -1 0 304.415 3.543 20 0 DHADRM Cc1cccc2cc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])oc21 ZINC000262722160 961826803 /nfs/dbraw/zinc/82/68/03/961826803.db2.gz FITDPWGNLRSAQT-SCLBCKFNSA-N -1 0 315.369 3.505 20 0 DHADRM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1ccccc1C(=O)[O-] ZINC001574514304 961839465 /nfs/dbraw/zinc/83/94/65/961839465.db2.gz ZYQLNQMMFLUIOM-SOFGYWHQSA-N -1 0 306.321 3.518 20 0 DHADRM O=C([O-])c1cccnc1NC(=O)CCCCCc1cccs1 ZINC001574524028 961863188 /nfs/dbraw/zinc/86/31/88/961863188.db2.gz CJZZUJDEBYIFOV-UHFFFAOYSA-N -1 0 318.398 3.583 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000262787129 961865667 /nfs/dbraw/zinc/86/56/67/961865667.db2.gz OZARCPNIFNHCHW-JTQLQIEISA-N -1 0 321.398 3.642 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262847963 961913586 /nfs/dbraw/zinc/91/35/86/961913586.db2.gz SWSMVKQIDMBYFZ-ZDUSSCGKSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000262911129 961990526 /nfs/dbraw/zinc/99/05/26/961990526.db2.gz JRYQKRJESFVLOJ-BZUAXINKSA-N -1 0 317.429 3.781 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001588867882 962034547 /nfs/dbraw/zinc/03/45/47/962034547.db2.gz MBUFXWMFLRWDJR-GOSISDBHSA-N -1 0 319.401 3.551 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000262985360 962076561 /nfs/dbraw/zinc/07/65/61/962076561.db2.gz CQXBKUWOWOGMRO-SFHVURJKSA-N -1 0 318.417 3.703 20 0 DHADRM C[C@@H](NC(=O)CCCC(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000262993634 962085210 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C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575211 1013330722 /nfs/dbraw/zinc/33/07/22/1013330722.db2.gz IIAMJMNWSNVVIR-APIJFGDWSA-N -1 0 323.477 3.845 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000263127553 962280720 /nfs/dbraw/zinc/28/07/20/962280720.db2.gz FSUXWNTZVHVYAX-YNEHKIRRSA-N -1 0 321.442 3.669 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(C3CC3)cc2F)CCCCC1 ZINC001574633192 962307307 /nfs/dbraw/zinc/30/73/07/962307307.db2.gz MHIYFXCRLZZNJJ-UHFFFAOYSA-N -1 0 305.349 3.677 20 0 DHADRM C[C@H](Nc1ccc(C(=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC001345944070 962317721 /nfs/dbraw/zinc/31/77/21/962317721.db2.gz JOHCPXJCHJXQGT-VIFPVBQESA-N -1 0 305.403 3.707 20 0 DHADRM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588912435 962327464 /nfs/dbraw/zinc/32/74/64/962327464.db2.gz JTQYYQRUKSVHMY-CSKARUKUSA-N -1 0 317.316 3.572 20 0 DHADRM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575214 1013332184 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ZINC000323065038 1013600794 /nfs/dbraw/zinc/60/07/94/1013600794.db2.gz NDDQNYOSMSMSQP-CQSZACIVSA-N -1 0 311.381 3.801 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000519870983 1013618199 /nfs/dbraw/zinc/61/81/99/1013618199.db2.gz TUMWTIQOHCENGX-KSFYIVLOSA-N -1 0 316.422 3.634 20 0 DHADRM O=C(NO[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437540 1013659896 /nfs/dbraw/zinc/65/98/96/1013659896.db2.gz AIFPAVNIAXPSMV-LLVKDONJSA-N -1 0 305.161 3.573 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238223656 1013724800 /nfs/dbraw/zinc/72/48/00/1013724800.db2.gz AYSBZJVRRZLULI-ZIAGYGMSSA-N -1 0 315.756 3.780 20 0 DHADRM Cc1ccc(C)c(C(=O)N(C)[C@H](C)c2cccs2)c1C(=O)[O-] ZINC000389073012 1013745215 /nfs/dbraw/zinc/74/52/15/1013745215.db2.gz WRATWSDVCJBNNB-GFCCVEGCSA-N -1 0 317.410 3.896 20 0 DHADRM O=C([O-])c1ccc(CN[C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000263435305 967892831 /nfs/dbraw/zinc/89/28/31/967892831.db2.gz UGIZAZVITGULKB-INIZCTEOSA-N -1 0 319.351 3.741 20 0 DHADRM COCCC[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155449113 1013756878 /nfs/dbraw/zinc/75/68/78/1013756878.db2.gz JJDGEQRCNLIVFH-MRVPVSSYSA-N -1 0 306.189 3.700 20 0 DHADRM CCc1cccc(C)c1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC000320692817 968008086 /nfs/dbraw/zinc/00/80/86/968008086.db2.gz GUEMZBNRDVXTSD-SFHVURJKSA-N -1 0 318.417 3.666 20 0 DHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000049135772 1013846228 /nfs/dbraw/zinc/84/62/28/1013846228.db2.gz YXRITUNMRVHRAJ-MRVPVSSYSA-N -1 0 319.785 3.561 20 0 DHADRM O=C([O-])CCc1cccc(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000901554766 969439222 /nfs/dbraw/zinc/43/92/22/969439222.db2.gz DOFFTLAOZZLHPZ-INIZCTEOSA-N -1 0 303.402 3.608 20 0 DHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)CC2CCCC2)C1 ZINC000902831039 969572229 /nfs/dbraw/zinc/57/22/29/969572229.db2.gz UZNHEMYXMXJWOV-HNNXBMFYSA-N -1 0 315.413 3.637 20 0 DHADRM Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC000902829914 969572318 /nfs/dbraw/zinc/57/23/18/969572318.db2.gz 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1014021574 /nfs/dbraw/zinc/02/15/74/1014021574.db2.gz GDXYYZKFQPDIQM-KTKRTIGZSA-N -1 0 315.344 3.970 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC001604964906 972553354 /nfs/dbraw/zinc/55/33/54/972553354.db2.gz MYVRKWCNNFWAEI-AWEZNQCLSA-N -1 0 313.806 3.501 20 0 DHADRM CSc1ccc(C)c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001604965105 972554740 /nfs/dbraw/zinc/55/47/40/972554740.db2.gz TVEDWYXZQUFYTL-CQSZACIVSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001604971796 972565862 /nfs/dbraw/zinc/56/58/62/972565862.db2.gz QNNGVQIYQYVDLV-QFYYESIMSA-N -1 0 308.399 3.514 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001604998574 972591301 /nfs/dbraw/zinc/59/13/01/972591301.db2.gz JBDWPFTXZNVQNV-QZQWMFAZSA-N -1 0 319.401 3.712 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC001605860572 972610749 /nfs/dbraw/zinc/61/07/49/972610749.db2.gz FDYWQTDMIWBMCV-JGVFFNPUSA-N -1 0 317.719 3.717 20 0 DHADRM CC1(C)CCC(C)(C)c2cc(C(=O)NCCCC(=O)[O-])ccc21 ZINC001603327076 972672675 /nfs/dbraw/zinc/67/26/75/972672675.db2.gz FPNAHAMXXRTQBV-UHFFFAOYSA-N -1 0 317.429 3.630 20 0 DHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001603328846 972684365 /nfs/dbraw/zinc/68/43/65/972684365.db2.gz KFSMITPBNDPBTL-HOTGVXAUSA-N -1 0 315.413 3.673 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC001605131168 972790669 /nfs/dbraw/zinc/79/06/69/972790669.db2.gz GANIPCVDFJFDGQ-UHFFFAOYSA-N -1 0 323.801 3.680 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)C2CCCC2)c1 ZINC001605138030 972801835 /nfs/dbraw/zinc/80/18/35/972801835.db2.gz CESXWCAGOFTNCJ-UHFFFAOYSA-N -1 0 303.402 3.639 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1 ZINC001605140514 972809664 /nfs/dbraw/zinc/80/96/64/972809664.db2.gz HDCSKWXSJUOCSE-JTQLQIEISA-N -1 0 319.744 3.660 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc3scnc3c2)c1 ZINC001605141424 972819692 /nfs/dbraw/zinc/81/96/92/972819692.db2.gz 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ZINC001603416569 973116246 /nfs/dbraw/zinc/11/62/46/973116246.db2.gz TVVQOZVMWNLUHD-HOCLYGCPSA-N -1 0 321.461 3.696 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001605320593 973156276 /nfs/dbraw/zinc/15/62/76/973156276.db2.gz UBFSOQHNPWFJTP-ZDUSSCGKSA-N -1 0 316.184 3.606 20 0 DHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CC1 ZINC001603435217 973203915 /nfs/dbraw/zinc/20/39/15/973203915.db2.gz ZUMZKYPTORTNOX-IUCAKERBSA-N -1 0 307.415 3.556 20 0 DHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CC1 ZINC001603435216 973204043 /nfs/dbraw/zinc/20/40/43/973204043.db2.gz ZUMZKYPTORTNOX-DTWKUNHWSA-N -1 0 307.415 3.556 20 0 DHADRM Cc1cccc(Cl)c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605339506 973226512 /nfs/dbraw/zinc/22/65/12/973226512.db2.gz NTIAQFNBCFPPJI-GRYCIOLGSA-N -1 0 323.820 3.514 20 0 DHADRM CCOC(=O)c1cc2ccc(N)cc2n1-c1cccc([S-])c1 ZINC001210950612 1014095846 /nfs/dbraw/zinc/09/58/46/1014095846.db2.gz QKYZBJYRKNSGJO-UHFFFAOYSA-N -1 0 312.394 3.678 20 0 DHADRM Cc1ccccc1COC(=O)Oc1cc(C(=O)[O-])ccc1F ZINC001605356366 973272242 /nfs/dbraw/zinc/27/22/42/973272242.db2.gz SALKOXXOKJZAIE-UHFFFAOYSA-N -1 0 304.273 3.548 20 0 DHADRM O=C([O-])c1ccccc1Nc1cc(F)ccc1OCC(F)F ZINC001210969357 1014098806 /nfs/dbraw/zinc/09/88/06/1014098806.db2.gz QKGZKQOLOBHTGU-UHFFFAOYSA-N -1 0 311.259 3.911 20 0 DHADRM Cc1ccc(Nc2ccccc2C(=O)[O-])c(Br)n1 ZINC001210970117 1014098845 /nfs/dbraw/zinc/09/88/45/1014098845.db2.gz TXMAHVXZSXWVIX-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1cc(N)c(Nc2ccccc2C(=O)[O-])c(Br)c1 ZINC001210968055 1014099008 /nfs/dbraw/zinc/09/90/08/1014099008.db2.gz BLUNVGSDKSXGFX-UHFFFAOYSA-N -1 0 321.174 3.782 20 0 DHADRM CO[C@@H](C)c1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001604471950 973352806 /nfs/dbraw/zinc/35/28/06/973352806.db2.gz KLOPQHIVDKQJFS-LBPRGKRZSA-N -1 0 313.353 3.653 20 0 DHADRM COc1cc(Nc2ccccc2C(=O)[O-])ccc1-n1cnc(C)c1 ZINC001210968460 1014098588 /nfs/dbraw/zinc/09/85/88/1014098588.db2.gz HMHXOOFTOOGSBX-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM O=C([O-])CCSCc1nnc(-c2cccc3ccccc32)o1 ZINC001606209700 973452692 /nfs/dbraw/zinc/45/26/92/973452692.db2.gz DIKGILXBQPLETN-UHFFFAOYSA-N -1 0 314.366 3.598 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001603508366 973493180 /nfs/dbraw/zinc/49/31/80/973493180.db2.gz OBPCHBUUZDJLEH-OAHLLOKOSA-N -1 0 305.418 3.603 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001603517012 973539017 /nfs/dbraw/zinc/53/90/17/973539017.db2.gz ZKHJZYWTIJZPIS-GXTWGEPZSA-N -1 0 304.390 3.529 20 0 DHADRM CCC(CC)CCCN(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603544892 973602141 /nfs/dbraw/zinc/60/21/41/973602141.db2.gz MPSJGJBHRVXUQV-LUAWRHEFSA-N -1 0 307.390 3.666 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603549320 973610424 /nfs/dbraw/zinc/61/04/24/973610424.db2.gz PCQRTIYWQBHOIK-HNAYVOBHSA-N -1 0 317.429 3.709 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000402794817 973650782 /nfs/dbraw/zinc/65/07/82/973650782.db2.gz VAXFEUYBLLEPKL-DVOMOZLQSA-N -1 0 313.397 3.590 20 0 DHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604662649 973846336 /nfs/dbraw/zinc/84/63/36/973846336.db2.gz IPXNVZIDHSJXCI-STQMWFEESA-N -1 0 320.389 3.606 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001603602432 973867942 /nfs/dbraw/zinc/86/79/42/973867942.db2.gz VSULRKWMRBZYCK-QGZVFWFLSA-N -1 0 323.820 3.674 20 0 DHADRM CCc1cc(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)o1 ZINC000414443624 973938916 /nfs/dbraw/zinc/93/89/16/973938916.db2.gz DDIGXBZVDBUAIZ-NSHDSACASA-N -1 0 301.342 3.591 20 0 DHADRM CCC[C@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccc(Cl)cc1 ZINC001603627956 973941587 /nfs/dbraw/zinc/94/15/87/973941587.db2.gz OPQPGJMDUQODNJ-KBPBESRZSA-N -1 0 311.809 3.545 20 0 DHADRM CCC[C@@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001603627945 973942183 /nfs/dbraw/zinc/94/21/83/973942183.db2.gz NQBQQTRRPQKVEU-KFWWJZLASA-N -1 0 323.820 3.593 20 0 DHADRM O=C([O-])c1ccc(CN2CCc3sc(Cl)cc3C2)cc1 ZINC001606483650 973968603 /nfs/dbraw/zinc/96/86/03/973968603.db2.gz KJSLDTOWLJIQAM-UHFFFAOYSA-N -1 0 307.802 3.658 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)cc1 ZINC001606483865 973970276 /nfs/dbraw/zinc/97/02/76/973970276.db2.gz YNVGKLNOYUSPBP-USXIJHARSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@@H](F)CC2CCCCC2)cc1 ZINC001606494800 973977578 /nfs/dbraw/zinc/97/75/78/973977578.db2.gz CIZCEPKDCXMVOD-HNNXBMFYSA-N -1 0 308.349 3.737 20 0 DHADRM O=C([O-])c1ccc(CNc2ccc(Oc3cccnc3)nc2)cc1 ZINC001606494905 973978956 /nfs/dbraw/zinc/97/89/56/973978956.db2.gz HACJDMUBCFWESL-UHFFFAOYSA-N -1 0 321.336 3.579 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001603640917 973986802 /nfs/dbraw/zinc/98/68/02/973986802.db2.gz IWXVESXRHKDADK-UONOGXRCSA-N -1 0 312.454 3.536 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000422556731 973995186 /nfs/dbraw/zinc/99/51/86/973995186.db2.gz GSLJWFQHSJIAFH-CXAGYDPISA-N -1 0 319.426 3.523 20 0 DHADRM CCCCc1ccc(N(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001603653517 974021848 /nfs/dbraw/zinc/02/18/48/974021848.db2.gz YMVLXQDJWQRSFZ-HNNXBMFYSA-N -1 0 305.418 3.739 20 0 DHADRM CSc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000424382176 974023872 /nfs/dbraw/zinc/02/38/72/974023872.db2.gz NOZQGGBHAXWWFV-GFCCVEGCSA-N -1 0 324.446 3.585 20 0 DHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432097662 974085724 /nfs/dbraw/zinc/08/57/24/974085724.db2.gz MBPYULJDIRCLFR-CQSZACIVSA-N -1 0 307.365 3.565 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000656233749 1014168843 /nfs/dbraw/zinc/16/88/43/1014168843.db2.gz ZRINFLZQOKXLSM-ZDUSSCGKSA-N -1 0 318.417 3.871 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000478871276 974213928 /nfs/dbraw/zinc/21/39/28/974213928.db2.gz ZBEPTOCNOZIPBG-UHFFFAOYSA-N -1 0 315.344 3.971 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)/C=C/c2ccsc2)cc1)C(=O)[O-] ZINC000493835974 974261134 /nfs/dbraw/zinc/26/11/34/974261134.db2.gz KZAXRXQVLKHKSH-RPTYSRGTSA-N -1 0 315.394 3.663 20 0 DHADRM CCOc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1C ZINC001603860030 974359624 /nfs/dbraw/zinc/35/96/24/974359624.db2.gz FCUDZQXWCSMBOR-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000530460009 974366239 /nfs/dbraw/zinc/36/62/39/974366239.db2.gz PCWPTZJFMCGCDT-SMDDNHRTSA-N -1 0 319.401 3.535 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000539612635 974397334 /nfs/dbraw/zinc/39/73/34/974397334.db2.gz CFBDGHQWZNHLJT-LLVKDONJSA-N -1 0 323.458 3.636 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000539677163 974399016 /nfs/dbraw/zinc/39/90/16/974399016.db2.gz YQXXAIGBNDBBLO-UHFFFAOYSA-N -1 0 317.772 3.918 20 0 DHADRM CC(C)CC1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CCC1 ZINC000539678060 974399764 /nfs/dbraw/zinc/39/97/64/974399764.db2.gz QWVGKQSGVBXKKL-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM CCc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001603974979 974462337 /nfs/dbraw/zinc/46/23/37/974462337.db2.gz VRNUQBKGJZYRFE-IRXDYDNUSA-N -1 0 324.380 3.684 20 0 DHADRM CC(C)[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1Cl ZINC000565225516 974575629 /nfs/dbraw/zinc/57/56/29/974575629.db2.gz RCHPUWCRGIUTPB-BZNIZROVSA-N -1 0 311.809 3.654 20 0 DHADRM CN(Cc1nc(-c2ccccc2Cl)cs1)C(C)(C)C(=O)[O-] ZINC000565485679 974582662 /nfs/dbraw/zinc/58/26/62/974582662.db2.gz FPSYRYHDWSIFAV-UHFFFAOYSA-N -1 0 324.833 3.759 20 0 DHADRM Cc1cccc(C2=CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)c1 ZINC000567242017 974630646 /nfs/dbraw/zinc/63/06/46/974630646.db2.gz NVOFCFLXLIUBOL-QGZVFWFLSA-N -1 0 313.422 3.972 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000568246063 974662740 /nfs/dbraw/zinc/66/27/40/974662740.db2.gz DTTGOPVJHYJMJS-CZUORRHYSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000568246064 974662839 /nfs/dbraw/zinc/66/28/39/974662839.db2.gz DTTGOPVJHYJMJS-XJKSGUPXSA-N -1 0 305.418 3.699 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000568246173 974662900 /nfs/dbraw/zinc/66/29/00/974662900.db2.gz HGEDYSCSJIDXGD-SGTLLEGYSA-N -1 0 321.392 3.674 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000568520626 974673499 /nfs/dbraw/zinc/67/34/99/974673499.db2.gz JGVSTUBTTIYMED-PBFPGSCMSA-N -1 0 315.369 3.501 20 0 DHADRM Cc1oc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000569347613 974688921 /nfs/dbraw/zinc/68/89/21/974688921.db2.gz JJQSDPKSKXMBJR-INIZCTEOSA-N -1 0 303.333 3.762 20 0 DHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc(Cl)c2[O-])C1(C)C ZINC000275916307 1014213354 /nfs/dbraw/zinc/21/33/54/1014213354.db2.gz FQBBHGDFFISSOI-NXEZZACHSA-N -1 0 309.793 3.626 20 0 DHADRM Cc1oc2ccccc2c1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000572404307 974747234 /nfs/dbraw/zinc/74/72/34/974747234.db2.gz FMTBMODZFWBXST-SECBINFHSA-N -1 0 316.382 3.747 20 0 DHADRM C[C@H](NCc1ccc(C2CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000574877626 974790317 /nfs/dbraw/zinc/79/03/17/974790317.db2.gz KWLYSBJXCUVVDB-JTQLQIEISA-N -1 0 302.399 3.570 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)c(-c2ccccc2)s1 ZINC000578378610 974853615 /nfs/dbraw/zinc/85/36/15/974853615.db2.gz KDSQCLHCENJQMD-UHFFFAOYSA-N -1 0 317.410 3.660 20 0 DHADRM Cc1cc(C)cc(C2=CCN([C@H](C(=O)[O-])c3cccnc3)CC2)c1 ZINC000579120052 974868494 /nfs/dbraw/zinc/86/84/94/974868494.db2.gz YGKOWJRYDJHRKN-IBGZPJMESA-N -1 0 322.408 3.613 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)nc1 ZINC000579735783 974881951 /nfs/dbraw/zinc/88/19/51/974881951.db2.gz QKNKKHRNHMGOPB-LBPRGKRZSA-N -1 0 312.369 3.645 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)C2CCC=CCC2)c1 ZINC000601980096 975013537 /nfs/dbraw/zinc/01/35/37/975013537.db2.gz DVKJTTPDPVODRZ-UHFFFAOYSA-N -1 0 319.426 3.689 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000620185433 975026247 /nfs/dbraw/zinc/02/62/47/975026247.db2.gz QKSDUMDFZVFGSB-FRRDWIJNSA-N -1 0 309.431 3.597 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558517 975031737 /nfs/dbraw/zinc/03/17/37/975031737.db2.gz IEVILXFQABKKFC-UHFFFAOYSA-N -1 0 313.353 3.566 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621564876 975032165 /nfs/dbraw/zinc/03/21/65/975032165.db2.gz YNGGNNWBJHBVSL-RKDXNWHRSA-N -1 0 315.316 3.607 20 0 DHADRM CCCCc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC000621611301 975059978 /nfs/dbraw/zinc/05/99/78/975059978.db2.gz KNHDQFMFTUKGFJ-UHFFFAOYSA-N -1 0 305.418 3.602 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000630135009 975119893 /nfs/dbraw/zinc/11/98/93/975119893.db2.gz FUEIAEQMBXBLAN-HOCLYGCPSA-N -1 0 303.402 3.560 20 0 DHADRM Cc1cocc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000630195750 975153286 /nfs/dbraw/zinc/15/32/86/975153286.db2.gz CHCMESQDUZDVRY-AWEZNQCLSA-N -1 0 307.390 3.522 20 0 DHADRM Cc1cccc(CN(CC(C)C)C(=O)CCCCC(=O)[O-])c1 ZINC000630226647 975174638 /nfs/dbraw/zinc/17/46/38/975174638.db2.gz DMFOSDMNVIWERS-UHFFFAOYSA-N -1 0 305.418 3.625 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630236148 975182243 /nfs/dbraw/zinc/18/22/43/975182243.db2.gz NKHWTTUQGGVWPF-UHFFFAOYSA-N -1 0 302.374 3.877 20 0 DHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000580596316 1014243664 /nfs/dbraw/zinc/24/36/64/1014243664.db2.gz SPJAVFCZAUBFRC-NSCUHMNNSA-N -1 0 308.790 3.569 20 0 DHADRM CC(C)[C@@H]1C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC000630267937 975211877 /nfs/dbraw/zinc/21/18/77/975211877.db2.gz OTSAJCRGCIETFM-HOTGVXAUSA-N -1 0 317.429 3.878 20 0 DHADRM CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000630271523 975215504 /nfs/dbraw/zinc/21/55/04/975215504.db2.gz HERZPBSNDWYEAV-ZOBUZTSGSA-N -1 0 317.429 3.762 20 0 DHADRM Cc1cc(C(=O)N(C)C[C@H](C)C2CCCCC2)oc1C(=O)[O-] ZINC000630276254 975220903 /nfs/dbraw/zinc/22/09/03/975220903.db2.gz RXLFTORUMQYGNR-LBPRGKRZSA-N -1 0 307.390 3.575 20 0 DHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000630280028 975225534 /nfs/dbraw/zinc/22/55/34/975225534.db2.gz ABWYJKXUAGVJFB-IKGGRYGDSA-N -1 0 315.413 3.525 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000630283517 975228134 /nfs/dbraw/zinc/22/81/34/975228134.db2.gz TWFXVKKYICKTGW-KZNAEPCWSA-N -1 0 323.392 3.555 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000630283509 975228173 /nfs/dbraw/zinc/22/81/73/975228173.db2.gz TWFXVKKYICKTGW-KSZLIROESA-N -1 0 323.392 3.555 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)c1 ZINC000630290899 975233215 /nfs/dbraw/zinc/23/32/15/975233215.db2.gz ZVHVSHVONHHLLI-BZUAXINKSA-N -1 0 317.429 3.714 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000630294829 975235175 /nfs/dbraw/zinc/23/51/75/975235175.db2.gz NYCOTYDMIMBEIR-RHSMWYFYSA-N -1 0 323.392 3.666 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000630295749 975235943 /nfs/dbraw/zinc/23/59/43/975235943.db2.gz VHOKEDOXQNJYEW-CQSZACIVSA-N -1 0 313.353 3.686 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000630303020 975240952 /nfs/dbraw/zinc/24/09/52/975240952.db2.gz JGOJGCFXDBAHGH-CYBMUJFWSA-N -1 0 313.397 3.692 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2coc(C(F)F)c2)cc1 ZINC000630329342 975257480 /nfs/dbraw/zinc/25/74/80/975257480.db2.gz LOIMPVTWMOSLKX-NWDGAFQWSA-N -1 0 321.279 3.658 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000630331441 975259324 /nfs/dbraw/zinc/25/93/24/975259324.db2.gz ZWOQPVBJTBRMFS-LUKYLMHMSA-N -1 0 313.397 3.640 20 0 DHADRM COC1(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCCC1 ZINC000630466960 975266509 /nfs/dbraw/zinc/26/65/09/975266509.db2.gz GULMRTUMBMUOPW-JKSUJKDBSA-N -1 0 303.402 3.636 20 0 DHADRM COc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1C ZINC000630468561 975266559 /nfs/dbraw/zinc/26/65/59/975266559.db2.gz SIMDBCULLQTFQS-DLBZAZTESA-N -1 0 311.381 3.804 20 0 DHADRM CCC(C)(C)OCc1ccccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000634828583 975277497 /nfs/dbraw/zinc/27/74/97/975277497.db2.gz ACWOIQIHSLPTIG-CYBMUJFWSA-N -1 0 321.417 3.831 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000634830725 975278439 /nfs/dbraw/zinc/27/84/39/975278439.db2.gz FSUBGSSYCSVGPT-SNVBAGLBSA-N -1 0 313.781 3.567 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000642148617 975290273 /nfs/dbraw/zinc/29/02/73/975290273.db2.gz JRYDOGYPKBSJFK-GJZGRUSLSA-N -1 0 313.328 3.575 20 0 DHADRM O=C([O-])c1cnc(N[C@@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000647452399 975363918 /nfs/dbraw/zinc/36/39/18/975363918.db2.gz YKKIMSHCKDANPC-GFCCVEGCSA-N -1 0 324.808 3.727 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@]1(C)CCc2ccccc21 ZINC000649247562 975387407 /nfs/dbraw/zinc/38/74/07/975387407.db2.gz ADHMUIRXVNSPMK-HXUWFJFHSA-N -1 0 323.392 3.844 20 0 DHADRM O=C([O-])CC1CCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000652465818 975542649 /nfs/dbraw/zinc/54/26/49/975542649.db2.gz CLTVUBXLEQVODY-UHFFFAOYSA-N -1 0 322.474 3.878 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C1CC1 ZINC000653640875 975607756 /nfs/dbraw/zinc/60/77/56/975607756.db2.gz RHLKCPYHMZPQJL-LJQANCHMSA-N -1 0 323.392 3.503 20 0 DHADRM CCCCN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000653642314 975610936 /nfs/dbraw/zinc/61/09/36/975610936.db2.gz WGLCHLAECAJHCC-UHFFFAOYSA-N -1 0 311.381 3.761 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656486455 975659618 /nfs/dbraw/zinc/65/96/18/975659618.db2.gz ZTNSBWXVQZBNLP-UHFFFAOYSA-N -1 0 301.386 3.866 20 0 DHADRM COCc1csc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000656567052 975664389 /nfs/dbraw/zinc/66/43/89/975664389.db2.gz ZFZVFANHAYHBKJ-LBPRGKRZSA-N -1 0 319.426 3.770 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659120557 975719066 /nfs/dbraw/zinc/71/90/66/975719066.db2.gz YFORFHUCJIHBRE-UHFFFAOYSA-N -1 0 321.760 3.602 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000659123345 975722947 /nfs/dbraw/zinc/72/29/47/975722947.db2.gz YDWCYNOTEAARAE-ZDUSSCGKSA-N -1 0 317.341 3.637 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccccc1 ZINC000659129669 975729551 /nfs/dbraw/zinc/72/95/51/975729551.db2.gz XTDAJEVUYROHNG-SCLBCKFNSA-N -1 0 323.392 3.756 20 0 DHADRM C[C@H](CN(C(=O)c1cccc(C2CCCC2)c1)C1CC1)C(=O)[O-] ZINC000659141613 975741844 /nfs/dbraw/zinc/74/18/44/975741844.db2.gz KPSSUQXGAVNVHF-CYBMUJFWSA-N -1 0 315.413 3.670 20 0 DHADRM CC1(C)CC(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000659147323 975748146 /nfs/dbraw/zinc/74/81/46/975748146.db2.gz YPSWAXZAFFKVKL-CQSZACIVSA-N -1 0 323.477 3.942 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C[C@H]1C)C(=O)[O-] ZINC000659167519 975765724 /nfs/dbraw/zinc/76/57/24/975765724.db2.gz WYRVNWVHRQSWFE-JHJVBQTASA-N -1 0 321.442 3.512 20 0 DHADRM C[C@@H]1CC(CNC(=O)CCc2ccccc2C(=O)[O-])C[C@@H](C)C1 ZINC000659170597 975769711 /nfs/dbraw/zinc/76/97/11/975769711.db2.gz PRTQXAYBDCRLNG-KBPBESRZSA-N -1 0 317.429 3.506 20 0 DHADRM CC1(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CCCC1 ZINC000659184060 975779973 /nfs/dbraw/zinc/77/99/73/975779973.db2.gz IBDMUDCLSJDGAT-OAHLLOKOSA-N -1 0 315.413 3.501 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCCCCC2)[C@H]2CCCC[C@@H]12 ZINC000659191139 975787944 /nfs/dbraw/zinc/78/79/44/975787944.db2.gz CRTHPZSQJLPUCR-BBWFWOEESA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@@H](C)[C@H]1CCCCO1 ZINC001591772057 975903760 /nfs/dbraw/zinc/90/37/60/975903760.db2.gz YATUYHQGTWITAX-SWLSCSKDSA-N -1 0 307.390 3.542 20 0 DHADRM Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000190600822 1014294874 /nfs/dbraw/zinc/29/48/74/1014294874.db2.gz BBTCFOYBPHTUQL-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CC(C)Oc1cccc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)c1 ZINC001591792119 975993911 /nfs/dbraw/zinc/99/39/11/975993911.db2.gz HCBRTYNHHJWFKC-WJDWOHSUSA-N -1 0 322.364 3.975 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435218 976002405 /nfs/dbraw/zinc/00/24/05/976002405.db2.gz YRCNPHZFKAMGQA-CJNGLKHVSA-N -1 0 315.413 3.808 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435220 976002689 /nfs/dbraw/zinc/00/26/89/976002689.db2.gz YRCNPHZFKAMGQA-XJKSGUPXSA-N -1 0 315.413 3.808 20 0 DHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC000683064749 976078502 /nfs/dbraw/zinc/07/85/02/976078502.db2.gz QMFGNAHSMIKADZ-UHFFFAOYSA-N -1 0 317.307 3.843 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000685020228 976093314 /nfs/dbraw/zinc/09/33/14/976093314.db2.gz VAJLPROVZZLBFT-UHFFFAOYSA-N -1 0 309.793 3.508 20 0 DHADRM CC(C)[C@@H]1C[C@H](NCc2ncc(C(=O)[O-])s2)c2ccccc21 ZINC001591846462 976127902 /nfs/dbraw/zinc/12/79/02/976127902.db2.gz PTOUOGZJIZITNG-KBPBESRZSA-N -1 0 316.426 3.816 20 0 DHADRM O=C([O-])c1csc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1 ZINC000782199913 1014320237 /nfs/dbraw/zinc/32/02/37/1014320237.db2.gz KKYJKYUZZONMSW-VZUCSPMQSA-N -1 0 305.742 3.592 20 0 DHADRM CC(C)c1c(N[C@H]2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC001591923412 976400498 /nfs/dbraw/zinc/40/04/98/976400498.db2.gz OMWKXDICAXRZQQ-KBPBESRZSA-N -1 0 313.401 3.661 20 0 DHADRM CC(C)c1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1O ZINC001591935913 976455226 /nfs/dbraw/zinc/45/52/26/976455226.db2.gz KTTVKVWIJZBRDD-UHFFFAOYSA-N -1 0 317.316 3.605 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1Cl ZINC001591946994 976486441 /nfs/dbraw/zinc/48/64/41/976486441.db2.gz BKBBBEGNUMYXFR-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)c1ccc([C@@H](NC(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591949539 976507355 /nfs/dbraw/zinc/50/73/55/976507355.db2.gz WKJNUDHCNQKLQC-KRWDZBQOSA-N -1 0 320.433 3.671 20 0 DHADRM CC(C)c1ccc([C@@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001591949761 976510166 /nfs/dbraw/zinc/51/01/66/976510166.db2.gz ZHIKJEBCOHLWRZ-QGZVFWFLSA-N -1 0 317.410 3.552 20 0 DHADRM CC(C)c1ccc(CCC(=O)OC2CC(CC(=O)[O-])C2)cc1 ZINC001591952674 976512812 /nfs/dbraw/zinc/51/28/12/976512812.db2.gz LWKYGEOKOWCOIN-UHFFFAOYSA-N -1 0 304.386 3.539 20 0 DHADRM O=C(Nc1ccccc1Cc1ccccc1)c1cncc(O)c1 ZINC000320407598 1014333170 /nfs/dbraw/zinc/33/31/70/1014333170.db2.gz HGPJMNVATLHNRT-UHFFFAOYSA-N -1 0 304.349 3.630 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(C(=O)[O-])c1 ZINC001591963304 976554097 /nfs/dbraw/zinc/55/40/97/976554097.db2.gz YWVFOVPPHWZMOP-SCUASFONSA-N -1 0 301.386 3.739 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c(C(=O)[O-])c1 ZINC001591965893 976561060 /nfs/dbraw/zinc/56/10/60/976561060.db2.gz URGSGHLPAVEACF-MWLCHTKSSA-N -1 0 315.291 3.645 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001591983848 976605155 /nfs/dbraw/zinc/60/51/55/976605155.db2.gz SVGJKZGGNIELEU-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM CC(C)c1cccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1N ZINC001591987322 976611257 /nfs/dbraw/zinc/61/12/57/976611257.db2.gz NGFTYECHQHKNMS-SNVBAGLBSA-N -1 0 317.341 3.601 20 0 DHADRM CC(C)c1cccc(COC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001591992024 976621056 /nfs/dbraw/zinc/62/10/56/976621056.db2.gz OSQQXUOFKLULCF-UHFFFAOYSA-N -1 0 312.365 3.794 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001591993996 976626879 /nfs/dbraw/zinc/62/68/79/976626879.db2.gz FMCLVLZRZIGWDE-UHFFFAOYSA-N -1 0 303.383 3.846 20 0 DHADRM CC(C)c1cncc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001592002357 976649237 /nfs/dbraw/zinc/64/92/37/976649237.db2.gz CJVIFGNDRNKEHR-UHFFFAOYSA-N -1 0 304.390 3.569 20 0 DHADRM CC(C)c1ncc(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033048 976748049 /nfs/dbraw/zinc/74/80/49/976748049.db2.gz GUTSUXALDDFSHJ-AWEZNQCLSA-N -1 0 304.415 3.524 20 0 DHADRM CC(C)c1oncc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592108473 976894259 /nfs/dbraw/zinc/89/42/59/976894259.db2.gz PSISJBQDJKUXIH-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc1C(=O)[O-] ZINC001592112228 976906143 /nfs/dbraw/zinc/90/61/43/976906143.db2.gz YPNZLBUDEDZASI-OUAUKWLOSA-N -1 0 324.446 3.976 20 0 DHADRM CC(C)n1cncc1/C=C(\C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001592145844 977006499 /nfs/dbraw/zinc/00/64/99/977006499.db2.gz XIXKRPXCAZOOLE-SDQBBNPISA-N -1 0 319.430 3.843 20 0 DHADRM C[C@@H](CC(=O)Nc1ncc(C(=O)[O-])cc1Cl)CC(C)(C)C ZINC001592277859 977556624 /nfs/dbraw/zinc/55/66/24/977556624.db2.gz IKYQKJMXQNWDFC-VIFPVBQESA-N -1 0 312.797 3.834 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC001592370448 977884092 /nfs/dbraw/zinc/88/40/92/977884092.db2.gz JMFLNTGKXJOIJY-DZGCQCFKSA-N -1 0 317.429 3.739 20 0 DHADRM O=C(Cc1ccsc1)NOCc1ccc(C(F)(F)F)cc1 ZINC000160689748 1014437608 /nfs/dbraw/zinc/43/76/08/1014437608.db2.gz ATLXHUFAPDOIAO-UHFFFAOYSA-N -1 0 315.316 3.557 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC001592391124 977934985 /nfs/dbraw/zinc/93/49/85/977934985.db2.gz CAMPXGLWDYLFQO-SSDOTTSWSA-N -1 0 323.698 3.798 20 0 DHADRM CC(C)Oc1cccc([C@@H](C)OC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC001592402491 977969785 /nfs/dbraw/zinc/96/97/85/977969785.db2.gz OZKTVFUCIFKGNL-QWHCGFSZSA-N -1 0 308.374 3.579 20 0 DHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC001592423817 978042186 /nfs/dbraw/zinc/04/21/86/978042186.db2.gz HRQXEDUMZGIIAG-BONVTDFDSA-N -1 0 322.744 3.796 20 0 DHADRM C[C@H](CC(=O)O[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001592433086 978064655 /nfs/dbraw/zinc/06/46/55/978064655.db2.gz BOCPTFUZGVYBOZ-ZJUUUORDSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@H](CC(=O)Oc1cc(Cl)ccc1C(=O)[O-])c1ccco1 ZINC001592433075 978064748 /nfs/dbraw/zinc/06/47/48/978064748.db2.gz BNBSGLIYEOMAFR-SECBINFHSA-N -1 0 308.717 3.730 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001592433085 978064787 /nfs/dbraw/zinc/06/47/87/978064787.db2.gz BOCPTFUZGVYBOZ-VHSXEESVSA-N -1 0 318.291 3.605 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC001592433353 978066440 /nfs/dbraw/zinc/06/64/40/978066440.db2.gz HAWOOOKFGDWXJK-LURJTMIESA-N -1 0 310.655 3.532 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001592439725 978093134 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C[C@@H](CCCC(F)(F)F)OC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592484687 978258422 /nfs/dbraw/zinc/25/84/22/978258422.db2.gz DTJRENRQAVOGOG-WBSSQXGSSA-N -1 0 320.263 3.655 20 0 DHADRM C/C(=C\C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC000736119998 978303091 /nfs/dbraw/zinc/30/30/91/978303091.db2.gz CWTNBQLAWBBYAM-UXBLZVDNSA-N -1 0 320.728 3.778 20 0 DHADRM C/C(=C/C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC000736119996 978303426 /nfs/dbraw/zinc/30/34/26/978303426.db2.gz CWTNBQLAWBBYAM-POHAHGRESA-N -1 0 320.728 3.778 20 0 DHADRM C[C@H](CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)CC(C)(C)C ZINC001592512804 978338845 /nfs/dbraw/zinc/33/88/45/978338845.db2.gz GBSYPQLUTLZGJA-FTXHTYHOSA-N -1 0 323.477 3.990 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737257922 978393614 /nfs/dbraw/zinc/39/36/14/978393614.db2.gz SWFGUAJBMYBQLR-NSHDSACASA-N -1 0 314.385 3.716 20 0 DHADRM C[C@@H](CN(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001592569045 978462884 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CC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000762293818 978720016 /nfs/dbraw/zinc/72/00/16/978720016.db2.gz DQVVMSZRCSRPBB-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000767089816 978734422 /nfs/dbraw/zinc/73/44/22/978734422.db2.gz QRHBSJAVMHXVMI-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM CC(C)(C)/C=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673753 978768896 /nfs/dbraw/zinc/76/88/96/978768896.db2.gz AZOHDPLFEPNBSR-GWJCSSMESA-N -1 0 309.793 3.574 20 0 DHADRM CCN(C(=O)c1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC000776686157 978771339 /nfs/dbraw/zinc/77/13/39/978771339.db2.gz BHAZUPZDYSFHOE-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM C[C@H](c1ccccc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813539 978856557 /nfs/dbraw/zinc/85/65/57/978856557.db2.gz BKVDIBYFGCFVBX-LLVKDONJSA-N -1 0 317.772 3.871 20 0 DHADRM Cc1c(F)cccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820247 978864843 /nfs/dbraw/zinc/86/48/43/978864843.db2.gz SRCWYMBRPQJTJO-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])CSCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000813768035 978871045 /nfs/dbraw/zinc/87/10/45/978871045.db2.gz VPFVVXBPHPPSEG-UHFFFAOYSA-N -1 0 315.394 3.500 20 0 DHADRM CSCc1cc(C(=O)Oc2ccccc2C(=O)[O-])ccc1F ZINC000832766541 979048703 /nfs/dbraw/zinc/04/87/03/979048703.db2.gz CGSZNZPKVQORRC-UHFFFAOYSA-N -1 0 320.341 3.606 20 0 DHADRM CC[C@H](C)n1nc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001595022730 979108979 /nfs/dbraw/zinc/10/89/79/979108979.db2.gz DDWOUDPDAWCZQL-ZUZCIYMTSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@@H](C)n1ncc(NCc2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC001595027302 979141641 /nfs/dbraw/zinc/14/16/41/979141641.db2.gz RKULYLINBRIPOX-SNVBAGLBSA-N -1 0 317.389 3.943 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000833388342 979177583 /nfs/dbraw/zinc/17/75/83/979177583.db2.gz UBPHFOXEKFAPTQ-UHFFFAOYSA-N -1 0 305.374 3.561 20 0 DHADRM CC(C)(C(=O)OCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000833419895 979182663 /nfs/dbraw/zinc/18/26/63/979182663.db2.gz ZJDIXJZLUVSTPY-UHFFFAOYSA-N -1 0 316.328 3.545 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595036033 979190680 /nfs/dbraw/zinc/19/06/80/979190680.db2.gz NGQUQZOIBRPCKO-IRXDYDNUSA-N -1 0 319.445 3.651 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595036031 979190696 /nfs/dbraw/zinc/19/06/96/979190696.db2.gz NGQUQZOIBRPCKO-DLBZAZTESA-N -1 0 319.445 3.651 20 0 DHADRM CC(C)C[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833483632 979191217 /nfs/dbraw/zinc/19/12/17/979191217.db2.gz PEVKUXWXEREGES-BDAKNGLRSA-N -1 0 318.826 3.500 20 0 DHADRM CC(C)C[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833483633 979191260 /nfs/dbraw/zinc/19/12/60/979191260.db2.gz PEVKUXWXEREGES-DTWKUNHWSA-N -1 0 318.826 3.500 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595042362 979233083 /nfs/dbraw/zinc/23/30/83/979233083.db2.gz KPXRLIJZWYDVAT-VIFPVBQESA-N -1 0 322.311 3.553 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001595042511 979235013 /nfs/dbraw/zinc/23/50/13/979235013.db2.gz NRKSTHCILKWMCB-MRVPVSSYSA-N -1 0 319.735 3.967 20 0 DHADRM CCC(CC)(C(=O)[O-])c1csc(-c2coc(C3CC3)n2)n1 ZINC001595047638 979258553 /nfs/dbraw/zinc/25/85/53/979258553.db2.gz BTPRJEARHGZQDQ-UHFFFAOYSA-N -1 0 306.387 3.818 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C\C1CCC(C)CC1 ZINC001595048967 979270502 /nfs/dbraw/zinc/27/05/02/979270502.db2.gz WWXHBPAAXSRTOH-KAMYIIQDSA-N -1 0 309.450 3.909 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(CSC)cc1 ZINC001595050842 979281446 /nfs/dbraw/zinc/28/14/46/979281446.db2.gz ZSWUFONMJISQBY-UHFFFAOYSA-N -1 0 324.446 3.705 20 0 DHADRM CCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502285 979304155 /nfs/dbraw/zinc/30/41/55/979304155.db2.gz YIRHWJTYIHEEMG-UHFFFAOYSA-N -1 0 318.417 3.750 20 0 DHADRM CC/C=C(\C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502099 979304427 /nfs/dbraw/zinc/30/44/27/979304427.db2.gz VSRXTQNGGDOPGJ-NTUHNPAUSA-N -1 0 316.401 3.670 20 0 DHADRM CCC(CC)(CCSCC(=O)Nc1ccccc1)C(=O)[O-] ZINC001595063042 979320822 /nfs/dbraw/zinc/32/08/22/979320822.db2.gz LRVARDVSAITSTO-UHFFFAOYSA-N -1 0 309.431 3.639 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001595075195 979348505 /nfs/dbraw/zinc/34/85/05/979348505.db2.gz RHCKBKUYUVRHSP-UHFFFAOYSA-N -1 0 315.413 3.875 20 0 DHADRM C[C@@](COC(=O)c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001592771945 979390066 /nfs/dbraw/zinc/39/00/66/979390066.db2.gz KKNSDOCIQNPJQS-HNNXBMFYSA-N -1 0 324.785 3.601 20 0 DHADRM CCC(CC)N(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C1CC1 ZINC001595114356 979463699 /nfs/dbraw/zinc/46/36/99/979463699.db2.gz FSFLKDVKOOPKDN-UHFFFAOYSA-N -1 0 322.380 3.638 20 0 DHADRM CCC(CC)c1cc(CNCc2ccsc2C(=O)[O-])on1 ZINC001595121792 979496247 /nfs/dbraw/zinc/49/62/47/979496247.db2.gz VQTHHGGURWEWBD-UHFFFAOYSA-N -1 0 308.403 3.628 20 0 DHADRM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000851593421 979502943 /nfs/dbraw/zinc/50/29/43/979502943.db2.gz WEGHSRNIUHIVFP-UHFFFAOYSA-N -1 0 323.698 3.955 20 0 DHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000851593963 979504462 /nfs/dbraw/zinc/50/44/62/979504462.db2.gz DYGILNXFZPTVJD-ALCCZGGFSA-N -1 0 317.385 3.564 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001595125728 979509971 /nfs/dbraw/zinc/50/99/71/979509971.db2.gz HFMFCCJVTKBMFM-HIFRSBDPSA-N -1 0 309.450 3.695 20 0 DHADRM CN(C(=O)C1CC2(C1)CCCCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000851596947 979511863 /nfs/dbraw/zinc/51/18/63/979511863.db2.gz PDTJPEOKXIULDM-INIZCTEOSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001595126670 979519738 /nfs/dbraw/zinc/51/97/38/979519738.db2.gz YBQFTFJRUDGZAK-FVQBIDKESA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000852938435 979585735 /nfs/dbraw/zinc/58/57/35/979585735.db2.gz IOBRJYANYZULQN-ROUUACIJSA-N -1 0 323.392 3.836 20 0 DHADRM CC[C@H](CNC(=O)CC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC001595140266 979600280 /nfs/dbraw/zinc/60/02/80/979600280.db2.gz JLXGEVHGWQGKGI-SHARSMKWSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)c1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000856936782 979612994 /nfs/dbraw/zinc/61/29/94/979612994.db2.gz UXNVNFBHCSZLTJ-UHFFFAOYSA-N -1 0 309.365 3.664 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1)C(=O)[O-] ZINC001592857318 979663868 /nfs/dbraw/zinc/66/38/68/979663868.db2.gz ITUXWGCPFIISNP-GFCCVEGCSA-N -1 0 317.429 3.961 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1)C(=O)[O-] ZINC001592858122 979668750 /nfs/dbraw/zinc/66/87/50/979668750.db2.gz OMIPURHUROBMRT-IUODEOHRSA-N -1 0 303.402 3.715 20 0 DHADRM CC1CCC(N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC000864104449 979691045 /nfs/dbraw/zinc/69/10/45/979691045.db2.gz KLDHJSFLVYHWHB-HJWRWDBZSA-N -1 0 317.385 3.561 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N2[C@@H](C)CCC2(C)C)cc1)C(=O)[O-] ZINC001592860932 979694532 /nfs/dbraw/zinc/69/45/32/979694532.db2.gz NLXMKRMBICYFRW-OLZOCXBDSA-N -1 0 318.417 3.745 20 0 DHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C=C2CCC2)cc1 ZINC000864117979 979711585 /nfs/dbraw/zinc/71/15/85/979711585.db2.gz RVFWPKRYYHVQQG-INIZCTEOSA-N -1 0 315.413 3.726 20 0 DHADRM CSCCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000864120838 979717290 /nfs/dbraw/zinc/71/72/90/979717290.db2.gz DEZKUGSUTMUBCW-UHFFFAOYSA-N -1 0 313.394 3.776 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000864126254 979726008 /nfs/dbraw/zinc/72/60/08/979726008.db2.gz GCBMKBQMKCPGHQ-MCIONIFRSA-N -1 0 323.820 3.654 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864128562 979729615 /nfs/dbraw/zinc/72/96/15/979729615.db2.gz LJWLHZYZKICVRO-KBPBESRZSA-N -1 0 311.381 3.615 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000864156713 979768395 /nfs/dbraw/zinc/76/83/95/979768395.db2.gz AUCKXUBDKUTGIR-ZDUSSCGKSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001592885952 979772395 /nfs/dbraw/zinc/77/23/95/979772395.db2.gz UXNKJQBKDLPNRP-GHMZBOCLSA-N -1 0 320.316 3.600 20 0 DHADRM C[C@@H](Cc1ccccc1Cl)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001592891220 979782427 /nfs/dbraw/zinc/78/24/27/979782427.db2.gz OHRMOBOCXOBOAH-DCBWTQNWSA-N -1 0 324.804 3.705 20 0 DHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592891853 979785278 /nfs/dbraw/zinc/78/52/78/979785278.db2.gz RYQRBIIKCZKFKU-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM CCC[C@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000864167211 979792510 /nfs/dbraw/zinc/79/25/10/979792510.db2.gz DWZOVPIOOLEVLX-CABCVRRESA-N -1 0 321.804 3.513 20 0 DHADRM CCC(NC(=O)c1cc(C(=O)[O-])ccc1Cl)(C1CC1)C1CC1 ZINC000864167671 979792658 /nfs/dbraw/zinc/79/26/58/979792658.db2.gz DVYCDGUQQMDHKS-UHFFFAOYSA-N -1 0 321.804 3.737 20 0 DHADRM C[C@@H](Cc1ccco1)C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001592899580 979815488 /nfs/dbraw/zinc/81/54/88/979815488.db2.gz JHEJYPPITYMSGD-JTQLQIEISA-N -1 0 322.744 3.553 20 0 DHADRM CC(C)C[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000864177582 979822631 /nfs/dbraw/zinc/82/26/31/979822631.db2.gz ILCOZRIDXWFBKT-GFCCVEGCSA-N -1 0 309.793 3.689 20 0 DHADRM CCC[C@H](OCC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224608 979909608 /nfs/dbraw/zinc/90/96/08/979909608.db2.gz FARDEAHTJLMIOU-INIZCTEOSA-N -1 0 315.369 3.682 20 0 DHADRM CCC[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)C(C)C ZINC000864226556 979912679 /nfs/dbraw/zinc/91/26/79/979912679.db2.gz JUQMZVOTLJVBBF-KGLIPLIRSA-N -1 0 303.402 3.664 20 0 DHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC2=CCCCC2)c1 ZINC000864227464 979915675 /nfs/dbraw/zinc/91/56/75/979915675.db2.gz BZCNRRKLCZXQGP-INIZCTEOSA-N -1 0 301.386 3.518 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(C)c2)c1 ZINC000864229443 979924466 /nfs/dbraw/zinc/92/44/66/979924466.db2.gz WAWPVSQHXALLKU-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM CC(C)(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000864506331 979938450 /nfs/dbraw/zinc/93/84/50/979938450.db2.gz NAQYMTJTNNNZIW-OAHLLOKOSA-N -1 0 319.426 3.841 20 0 DHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC001595212456 980000209 /nfs/dbraw/zinc/00/02/09/980000209.db2.gz ZREZQTYCGHHVFK-ZDUSSCGKSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@H](Cc1ccccc1)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595213854 980010826 /nfs/dbraw/zinc/01/08/26/980010826.db2.gz ZLIJULRSQFKRCM-QGZVFWFLSA-N -1 0 313.397 3.964 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001592943095 980012318 /nfs/dbraw/zinc/01/23/18/980012318.db2.gz AYNXEHPFNLXWDV-UHFFFAOYSA-N -1 0 319.307 3.678 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001592943666 980015871 /nfs/dbraw/zinc/01/58/71/980015871.db2.gz MJPULNPCEFJGIJ-UHFFFAOYSA-N -1 0 323.270 3.888 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001592944047 980019108 /nfs/dbraw/zinc/01/91/08/980019108.db2.gz HETQIZDDIRZVPY-WCQYABFASA-N -1 0 312.312 3.599 20 0 DHADRM C[C@H]1CCC[C@@H](CC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000520967134 1014622279 /nfs/dbraw/zinc/62/22/79/1014622279.db2.gz GSRWYIFEDLKJOP-WDEREUQCSA-N -1 0 321.471 3.843 20 0 DHADRM CCCOc1ccc(NC(=O)CCCC(=O)[O-])cc1C(C)C ZINC000887317758 980215156 /nfs/dbraw/zinc/21/51/56/980215156.db2.gz QXVZTTJGTMCYJL-UHFFFAOYSA-N -1 0 307.390 3.792 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887316408 980215486 /nfs/dbraw/zinc/21/54/86/980215486.db2.gz PPUDKHPUQGMVQP-ISVAXAHUSA-N -1 0 321.270 3.699 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CC(C)(C)CC(F)F)cc1 ZINC000887325337 980216011 /nfs/dbraw/zinc/21/60/11/980216011.db2.gz MMDPUDLZBJNDHT-SNVBAGLBSA-N -1 0 313.344 3.885 20 0 DHADRM CC(C)(CC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])CC(F)F ZINC000887328395 980219670 /nfs/dbraw/zinc/21/96/70/980219670.db2.gz WKFNYCOBLTUPMV-UHFFFAOYSA-N -1 0 324.327 3.876 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000899295655 980225418 /nfs/dbraw/zinc/22/54/18/980225418.db2.gz PJHMEIAARSWFMK-SHPPOPEUSA-N -1 0 301.386 3.640 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001595256384 980236778 /nfs/dbraw/zinc/23/67/78/980236778.db2.gz BLLXSZBDMUJZEH-UGFHNGPFSA-N -1 0 318.417 3.821 20 0 DHADRM C[C@@H]1Cc2cc(CNc3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)ccc2O1 ZINC000900042639 980239803 /nfs/dbraw/zinc/23/98/03/980239803.db2.gz HFMPRAZQYKAIRX-OCBCSQNSSA-N -1 0 323.392 3.810 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(-c2cnco2)cc1 ZINC000901415656 980262053 /nfs/dbraw/zinc/26/20/53/980262053.db2.gz OMRSZPLSSWFUGT-KYOSRNDESA-N -1 0 300.358 3.643 20 0 DHADRM COc1ccc(NCc2csc(C(=O)[O-])c2)cc1OC(C)C ZINC000901448831 980292675 /nfs/dbraw/zinc/29/26/75/980292675.db2.gz GJTBZAIRNBRMKO-UHFFFAOYSA-N -1 0 321.398 3.854 20 0 DHADRM CSc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000901511768 980327781 /nfs/dbraw/zinc/32/77/81/980327781.db2.gz AHMKAGCKGIFXQL-UHFFFAOYSA-N -1 0 305.399 3.976 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000901511934 980328553 /nfs/dbraw/zinc/32/85/53/980328553.db2.gz CQISPPSNVOPXQT-OAHLLOKOSA-N -1 0 303.402 3.562 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2cccs2)cc(C)c1Cl ZINC000442229741 1014646198 /nfs/dbraw/zinc/64/61/98/1014646198.db2.gz NKPKPKFERUNQMI-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)s1 ZINC000442230730 1014646280 /nfs/dbraw/zinc/64/62/80/1014646280.db2.gz RIWMPKJNXVZJGB-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM CC(C)(C)c1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000521162060 1014656082 /nfs/dbraw/zinc/65/60/82/1014656082.db2.gz QDQAUENAEACOSD-UHFFFAOYSA-N -1 0 317.429 3.635 20 0 DHADRM C[C@@H](Cc1ccc(NCc2ccncc2Cl)cc1)C(=O)[O-] ZINC000901731070 980469104 /nfs/dbraw/zinc/46/91/04/980469104.db2.gz CZHIDUBBEZRSOB-NSHDSACASA-N -1 0 304.777 3.610 20 0 DHADRM CC[C@@H](Nc1ccc(C(=O)[O-])nn1)c1cccc2ccccc21 ZINC001595317067 980488531 /nfs/dbraw/zinc/48/85/31/980488531.db2.gz MFJQSLNKZJPFGI-OAHLLOKOSA-N -1 0 307.353 3.891 20 0 DHADRM CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317087 980488889 /nfs/dbraw/zinc/48/88/89/980488889.db2.gz MUQPPOCHDMFIKB-KRWDZBQOSA-N -1 0 315.369 3.965 20 0 DHADRM O=C([O-])c1ccc(CNCc2cnc(C3CCC3)s2)c(F)c1 ZINC000901760790 980491123 /nfs/dbraw/zinc/49/11/23/980491123.db2.gz ZHTWHSNDMNJJMX-UHFFFAOYSA-N -1 0 320.389 3.538 20 0 DHADRM CC(C)c1cnc(CN[C@@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000901772057 980501850 /nfs/dbraw/zinc/50/18/50/980501850.db2.gz KHBWJBHMEDTDTA-ZDUSSCGKSA-N -1 0 310.463 3.780 20 0 DHADRM CCc1cnc(CN(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000901800351 980527454 /nfs/dbraw/zinc/52/74/54/980527454.db2.gz KYSRGAYTIGCKGU-UHFFFAOYSA-N -1 0 318.442 3.573 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000901813139 980534368 /nfs/dbraw/zinc/53/43/68/980534368.db2.gz DWZWWUUZMJOFEE-DOMZBBRYSA-N -1 0 320.392 3.935 20 0 DHADRM CCn1c(CNc2cccc([C@H](C)C(=O)[O-])c2)nc2ccccc21 ZINC000901815734 980536838 /nfs/dbraw/zinc/53/68/38/980536838.db2.gz KMBHMICUGHOFRI-ZDUSSCGKSA-N -1 0 323.396 3.856 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCc3cccnc3CC2)c1 ZINC000901817456 980537438 /nfs/dbraw/zinc/53/74/38/980537438.db2.gz ZRHMJSWMRCSVPY-XJKSGUPXSA-N -1 0 310.397 3.629 20 0 DHADRM COc1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC000901817391 980537551 /nfs/dbraw/zinc/53/75/51/980537551.db2.gz QMJOUDMTCYBBBU-GFCCVEGCSA-N -1 0 315.369 3.504 20 0 DHADRM COc1cccc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1OC ZINC000901818552 980538446 /nfs/dbraw/zinc/53/84/46/980538446.db2.gz YQPHCGMNWNSHMG-LBPRGKRZSA-N -1 0 315.369 3.504 20 0 DHADRM Cc1ccc([C@@H](NCc2cnc(C3CC3)s2)C(=O)[O-])cc1C ZINC000901844660 980566855 /nfs/dbraw/zinc/56/68/55/980566855.db2.gz NQBUMNKXIIXMDM-OAHLLOKOSA-N -1 0 316.426 3.553 20 0 DHADRM CC[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cccc(OC)c1 ZINC001595336167 980591714 /nfs/dbraw/zinc/59/17/14/980591714.db2.gz HMXLSPNQFJZIDE-AWEZNQCLSA-N -1 0 308.374 3.581 20 0 DHADRM Cc1cc(CNCc2ccc(C(F)(F)F)s2)oc1C(=O)[O-] ZINC000901940757 980641940 /nfs/dbraw/zinc/64/19/40/980641940.db2.gz ZFXQNOUYPUUTMA-UHFFFAOYSA-N -1 0 319.304 3.656 20 0 DHADRM CC[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC001595347993 980642949 /nfs/dbraw/zinc/64/29/49/980642949.db2.gz RKMYITFYSYEQBX-AWEZNQCLSA-N -1 0 312.321 3.535 20 0 DHADRM CC[C@H](OC(=O)c1oc2c(ccc3ccccc23)c1C)C(=O)[O-] ZINC001595353666 980683533 /nfs/dbraw/zinc/68/35/33/980683533.db2.gz ICZIGYNRAKPFJQ-AWEZNQCLSA-N -1 0 312.321 3.914 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1Cc1ncc(-c2ccccc2)s1 ZINC000902033004 980704669 /nfs/dbraw/zinc/70/46/69/980704669.db2.gz CESTZMDRQBSNIE-AWEZNQCLSA-N -1 0 316.426 3.639 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc2c(c1)OCCCO2 ZINC000902069107 980719058 /nfs/dbraw/zinc/71/90/58/980719058.db2.gz HVKXXNJIVMUWBR-LBPRGKRZSA-N -1 0 307.390 3.539 20 0 DHADRM CC(C)(CCNc1cccc(COCc2ccco2)c1)C(=O)[O-] ZINC000902120050 980743963 /nfs/dbraw/zinc/74/39/63/980743963.db2.gz XMIXYBHCILHKEC-UHFFFAOYSA-N -1 0 317.385 3.909 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H]1C=CCCC1 ZINC001595361221 980760175 /nfs/dbraw/zinc/76/01/75/980760175.db2.gz FIPMQXIJZQETPA-RDJZCZTQSA-N -1 0 315.413 3.797 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000902175498 980768908 /nfs/dbraw/zinc/76/89/08/980768908.db2.gz GRAKXOHKASPDHM-CYBMUJFWSA-N -1 0 321.760 3.553 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ncc(Cl)s1 ZINC001595362374 980770742 /nfs/dbraw/zinc/77/07/42/980770742.db2.gz BXLRBQKLJULVTI-GFCCVEGCSA-N -1 0 324.833 3.834 20 0 DHADRM O=C([O-])c1cc(CNc2cccc(COCC3CC3)c2)cs1 ZINC000902182838 980772575 /nfs/dbraw/zinc/77/25/75/980772575.db2.gz RIULSGAFYJERBB-UHFFFAOYSA-N -1 0 317.410 3.985 20 0 DHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1OC ZINC000902190266 980775366 /nfs/dbraw/zinc/77/53/66/980775366.db2.gz MCNPBKFVYZGCJR-UHFFFAOYSA-N -1 0 319.357 3.560 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1sccc1OC ZINC001595362941 980776990 /nfs/dbraw/zinc/77/69/90/980776990.db2.gz 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/nfs/dbraw/zinc/84/33/33/980843333.db2.gz BZVNUYCGDOEOAC-HDMKZQKVSA-N -1 0 316.401 3.529 20 0 DHADRM CCc1oc(C[N@H+](C)CC2(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000902360056 980852206 /nfs/dbraw/zinc/85/22/06/980852206.db2.gz RVOIANCHUCPLAV-UHFFFAOYSA-N -1 0 313.397 3.704 20 0 DHADRM CCC1(CC)[C@H](Nc2cccc([C@@H](C)C(=O)[O-])c2)C[C@H]1OC ZINC001595374035 980879600 /nfs/dbraw/zinc/87/96/00/980879600.db2.gz SXNSOWZAEPWHMS-DAXOMENPSA-N -1 0 305.418 3.880 20 0 DHADRM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000902424291 980880783 /nfs/dbraw/zinc/88/07/83/980880783.db2.gz UUGQZPSHXSTLDP-VHRBIJSZSA-N -1 0 307.356 3.731 20 0 DHADRM CCC1(CC)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001595374565 980885384 /nfs/dbraw/zinc/88/53/84/980885384.db2.gz ICZWBUKMASALJW-UHFFFAOYSA-N -1 0 304.390 3.819 20 0 DHADRM CCC1(CC)CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001595374872 980888848 /nfs/dbraw/zinc/88/88/48/980888848.db2.gz ZXMFOEIQWVEUSC-GJZGRUSLSA-N -1 0 309.450 3.696 20 0 DHADRM CCC1(CC)CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001595376064 980901945 /nfs/dbraw/zinc/90/19/45/980901945.db2.gz LDJPKNRRLSVBTH-TZMCWYRMSA-N -1 0 309.356 3.530 20 0 DHADRM CSc1ccc(N[C@@H](C)C2CC(F)(F)C2)cc1C(=O)[O-] ZINC000902569751 980938152 /nfs/dbraw/zinc/93/81/52/980938152.db2.gz HNTPRHOSRNFZON-QMMMGPOBSA-N -1 0 301.358 3.952 20 0 DHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCC1 ZINC001595387189 980938862 /nfs/dbraw/zinc/93/88/62/980938862.db2.gz IHVVNNBYKIZTSF-UHFFFAOYSA-N -1 0 304.390 3.846 20 0 DHADRM CC[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CCO1 ZINC001595409266 981006863 /nfs/dbraw/zinc/00/68/63/981006863.db2.gz VCRJGNAALQSNAW-ZIAGYGMSSA-N -1 0 319.401 3.652 20 0 DHADRM CC[C@H]1C[C@@H](CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCO1 ZINC001595412052 981009299 /nfs/dbraw/zinc/00/92/99/981009299.db2.gz AJUBDUVLEBFSFH-XEZPLFJOSA-N -1 0 320.385 3.584 20 0 DHADRM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595415576 981028850 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CC[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595436667 981070315 /nfs/dbraw/zinc/07/03/15/981070315.db2.gz UBEVGYHYNFGODB-CQDKDKBSSA-N -1 0 323.820 3.798 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595436949 981072342 /nfs/dbraw/zinc/07/23/42/981072342.db2.gz YUMSIZNTZZQUHE-JDNHERCYSA-N -1 0 311.328 3.818 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NCc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000904004062 981080395 /nfs/dbraw/zinc/08/03/95/981080395.db2.gz MGMMOWUFPHSTCJ-WBMJQRKESA-N -1 0 316.401 3.524 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595441934 981081213 /nfs/dbraw/zinc/08/12/13/981081213.db2.gz WCDBMKVAWJTKSF-GXSJLCMTSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595448228 981097638 /nfs/dbraw/zinc/09/76/38/981097638.db2.gz NCUBJTYRAYDABA-CJNGLKHVSA-N -1 0 319.401 3.617 20 0 DHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CC1 ZINC001595453723 981120472 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CC/C=C(/F)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001595507318 981288812 /nfs/dbraw/zinc/28/88/12/981288812.db2.gz DCZKDLCDOFOWAG-WLRTZDKTSA-N -1 0 317.316 3.505 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)c2ccc(C3CC3)cc2)CCC1 ZINC000908338950 981303587 /nfs/dbraw/zinc/30/35/87/981303587.db2.gz RVXSVNITCKTXOW-UHFFFAOYSA-N -1 0 315.413 3.719 20 0 DHADRM Cc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)sc1C ZINC000908345138 981305726 /nfs/dbraw/zinc/30/57/26/981305726.db2.gz ZPFLEVKWJMVBAD-UHFFFAOYSA-N -1 0 309.431 3.520 20 0 DHADRM CCCC(=CC(=O)N(CC)c1ncc(C(=O)[O-])s1)CCC ZINC001595520818 981337666 /nfs/dbraw/zinc/33/76/66/981337666.db2.gz KSYLYIUZQLSXNX-UHFFFAOYSA-N -1 0 310.419 3.721 20 0 DHADRM Cc1cc(C)cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908693744 981340614 /nfs/dbraw/zinc/34/06/14/981340614.db2.gz AXRBBFCJWLUXMD-UHFFFAOYSA-N -1 0 301.386 3.667 20 0 DHADRM CCCC(=CC(=O)Nc1ccc(C(=O)[O-])cc1OC)CCC ZINC001595522241 981344215 /nfs/dbraw/zinc/34/42/15/981344215.db2.gz OXPBIEKLNSFLTQ-UHFFFAOYSA-N -1 0 305.374 3.859 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000908759046 981355713 /nfs/dbraw/zinc/35/57/13/981355713.db2.gz WUGVTSRQVLQDJN-INIZCTEOSA-N -1 0 319.401 3.585 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C ZINC000908806119 981365969 /nfs/dbraw/zinc/36/59/69/981365969.db2.gz GJILQMJUXUBYNE-YCMKEVRSSA-N -1 0 315.413 3.516 20 0 DHADRM CCC[C@@H](C(=O)N[C@@H](CCC)C(=O)[O-])c1cccc(Cl)c1 ZINC001595536409 981383060 /nfs/dbraw/zinc/38/30/60/981383060.db2.gz ZBQKQGXFQXLDMJ-KGLIPLIRSA-N -1 0 311.809 3.593 20 0 DHADRM CCC[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001595538425 981391706 /nfs/dbraw/zinc/39/17/06/981391706.db2.gz KUQQHICGAPKHCQ-AWEZNQCLSA-N -1 0 302.326 3.605 20 0 DHADRM CCC[C@@H](C(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001595538810 981394536 /nfs/dbraw/zinc/39/45/36/981394536.db2.gz WEXRJYSIPAIPMB-UYSNPLJNSA-N -1 0 304.386 3.757 20 0 DHADRM CCC[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595540686 981398667 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CCC/C(C)=C/C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595567251 981466599 /nfs/dbraw/zinc/46/65/99/981466599.db2.gz XDTVSJYKVPTTSX-VAWYXSNFSA-N -1 0 301.386 3.719 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001595571438 981478900 /nfs/dbraw/zinc/47/89/00/981478900.db2.gz QOQQUWHRQGAFMT-VIFPVBQESA-N -1 0 312.435 3.904 20 0 DHADRM CCCCc1ccc(N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909414698 981489031 /nfs/dbraw/zinc/48/90/31/981489031.db2.gz HGFNIFGCHOCNBN-UHFFFAOYSA-N -1 0 315.369 3.526 20 0 DHADRM Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(C)cc1Cl ZINC000909436774 981492448 /nfs/dbraw/zinc/49/24/48/981492448.db2.gz BCOQCSVZVGSIAP-UHFFFAOYSA-N -1 0 323.820 3.674 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595575170 981495371 /nfs/dbraw/zinc/49/53/71/981495371.db2.gz YNWHDVSBBLMYCE-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM CC/C(C)=C(\C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000909474739 981504069 /nfs/dbraw/zinc/50/40/69/981504069.db2.gz IFLVKBHPEPQJFC-CCEZHUSRSA-N -1 0 303.402 3.626 20 0 DHADRM Cc1ccsc1CCCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000909506374 981514914 /nfs/dbraw/zinc/51/49/14/981514914.db2.gz YUQSUQSVDSVPCB-UHFFFAOYSA-N -1 0 317.410 3.645 20 0 DHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512990 981520028 /nfs/dbraw/zinc/52/00/28/981520028.db2.gz LAUKQFGCNINRDG-UONOGXRCSA-N -1 0 319.401 3.535 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595585837 981526652 /nfs/dbraw/zinc/52/66/52/981526652.db2.gz FSQBTPGACAJUML-BXUZGUMPSA-N -1 0 311.809 3.798 20 0 DHADRM CCC[C@@H](CC)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595585854 981527302 /nfs/dbraw/zinc/52/73/02/981527302.db2.gz GLKJWBUGZVEUFN-OAHLLOKOSA-N -1 0 305.418 3.705 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595586155 981529737 /nfs/dbraw/zinc/52/97/37/981529737.db2.gz QGNYBMJEASANLW-HZPDHXFCSA-N -1 0 311.466 3.846 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001595586158 981529766 /nfs/dbraw/zinc/52/97/66/981529766.db2.gz QGQWZILIRVBZAL-SJORKVTESA-N -1 0 319.445 3.651 20 0 DHADRM CCCC(CCC)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001595587029 981538055 /nfs/dbraw/zinc/53/80/55/981538055.db2.gz YPSLEDODZSUZSL-HNNXBMFYSA-N -1 0 319.445 3.952 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595587181 981539239 /nfs/dbraw/zinc/53/92/39/981539239.db2.gz DODJGDBUMYDWLA-VNQPRFMTSA-N -1 0 309.450 3.552 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001595587444 981541848 /nfs/dbraw/zinc/54/18/48/981541848.db2.gz MSNDNSFYCGJBNW-HNNXBMFYSA-N -1 0 311.466 3.990 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001595587670 981543436 /nfs/dbraw/zinc/54/34/36/981543436.db2.gz USVLXHAYLXFTOK-MAUKXSAKSA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001595587847 981544273 /nfs/dbraw/zinc/54/42/73/981544273.db2.gz XWSZFVOIJFMZBR-HZPDHXFCSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCC1 ZINC001595599496 981572532 /nfs/dbraw/zinc/57/25/32/981572532.db2.gz BUORIXYTIOGXMO-OAHLLOKOSA-N -1 0 307.365 3.613 20 0 DHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000909741145 981587813 /nfs/dbraw/zinc/58/78/13/981587813.db2.gz ZMFBRUSGWDLVPD-OAHLLOKOSA-N -1 0 311.381 3.536 20 0 DHADRM CCC[C@H](O)CCCSCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595608949 981615853 /nfs/dbraw/zinc/61/58/53/981615853.db2.gz MSLTWDPPTHATAU-INIZCTEOSA-N -1 0 322.470 3.977 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001594742786 981619186 /nfs/dbraw/zinc/61/91/86/981619186.db2.gz IDICILSPZJONAZ-YPMHNXCESA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC001594743098 981620937 /nfs/dbraw/zinc/62/09/37/981620937.db2.gz KJGLTZWYQACVSO-HOTGVXAUSA-N -1 0 303.402 3.550 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1=CCCC1)c1cccc2ccccc21 ZINC000909786667 981622121 /nfs/dbraw/zinc/62/21/21/981622121.db2.gz UARQSAKJBJPCJT-QGZVFWFLSA-N -1 0 309.365 3.582 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001594746692 981634554 /nfs/dbraw/zinc/63/45/54/981634554.db2.gz ABXOWHHJKQATDF-IRXDYDNUSA-N -1 0 319.445 3.809 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CC1 ZINC000656505998 1014752104 /nfs/dbraw/zinc/75/21/04/1014752104.db2.gz IPVGGBGSBMNKRD-LBPRGKRZSA-N -1 0 314.385 3.506 20 0 DHADRM CSc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000909834807 981652373 /nfs/dbraw/zinc/65/23/73/981652373.db2.gz BIYZUOAPFNSVKU-SECBINFHSA-N -1 0 319.382 3.750 20 0 DHADRM Cc1ccc2sc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc2c1 ZINC000909844698 981668464 /nfs/dbraw/zinc/66/84/64/981668464.db2.gz WGMRJJJABHRHMB-QGZVFWFLSA-N -1 0 317.410 3.537 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595620231 981686759 /nfs/dbraw/zinc/68/67/59/981686759.db2.gz ADUPDEACHIJFRJ-CMPLNLGQSA-N -1 0 322.430 3.553 20 0 DHADRM CCCC1CCC(NC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC001595620261 981687810 /nfs/dbraw/zinc/68/78/10/981687810.db2.gz BEXQUKFNDFWVTL-UHFFFAOYSA-N -1 0 310.419 3.927 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595620489 981690163 /nfs/dbraw/zinc/69/01/63/981690163.db2.gz JXFKSGOFFRAWFF-DJIMGWMZSA-N -1 0 317.429 3.705 20 0 DHADRM CCCC1CCC(N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001595620630 981691483 /nfs/dbraw/zinc/69/14/83/981691483.db2.gz NVUUTZMYSIXWCC-MDZDMXLPSA-N -1 0 319.401 3.808 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595621045 981695872 /nfs/dbraw/zinc/69/58/72/981695872.db2.gz AVSRALYUPVCERE-SWLSCSKDSA-N -1 0 319.405 3.569 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595621909 981704487 /nfs/dbraw/zinc/70/44/87/981704487.db2.gz QMRUFXFROFCKTN-DIODGJHASA-N -1 0 309.450 3.743 20 0 DHADRM CCC/C=C\C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595624222 981729655 /nfs/dbraw/zinc/72/96/55/981729655.db2.gz PPSXUBTZTYXFGM-MWWKQMNYSA-N -1 0 309.793 3.502 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)CCC(C)(C)C ZINC001594777625 981769185 /nfs/dbraw/zinc/76/91/85/981769185.db2.gz CEWGLFXRQICVJV-FZKQIMNGSA-N -1 0 311.466 3.941 20 0 DHADRM CCCC[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C(C)C ZINC001595627531 981773051 /nfs/dbraw/zinc/77/30/51/981773051.db2.gz IWGWFDPSEXCCSX-LBPRGKRZSA-N -1 0 317.389 3.662 20 0 DHADRM CCCC[C@H](C(=O)Nc1ncc(C(=O)[O-])cc1Cl)C(C)C ZINC001595627780 981776407 /nfs/dbraw/zinc/77/64/07/981776407.db2.gz SQEGKOUTQAEHGB-NSHDSACASA-N -1 0 312.797 3.834 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCCCC1(C)C ZINC001594779465 981781291 /nfs/dbraw/zinc/78/12/91/981781291.db2.gz ACRGRBJXSBNCBV-KBXCAEBGSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@H](Oc1ccc(NC(=O)C2=CCCCCC2)cc1F)C(=O)[O-] ZINC000910230843 981794541 /nfs/dbraw/zinc/79/45/41/981794541.db2.gz BJWDGFFOVNQJDQ-NSHDSACASA-N -1 0 321.348 3.507 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001595631036 981831690 /nfs/dbraw/zinc/83/16/90/981831690.db2.gz YZNVPAJKMVEEPK-AWEZNQCLSA-N -1 0 301.745 3.895 20 0 DHADRM CCCC[C@H](CC)COC(=O)CS[C@H](C(=O)[O-])C(C)(C)C ZINC001595632400 981854349 /nfs/dbraw/zinc/85/43/49/981854349.db2.gz GMGQGBLGAHLKGB-GXTWGEPZSA-N -1 0 318.479 3.979 20 0 DHADRM CCCC[C@H](CC)CC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595632673 981859228 /nfs/dbraw/zinc/85/92/28/981859228.db2.gz MKXUAWYJPQDKOM-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594796535 981877341 /nfs/dbraw/zinc/87/73/41/981877341.db2.gz CFEGFAXBKYFUAZ-PXCJXSSVSA-N -1 0 309.450 3.599 20 0 DHADRM CCCC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CCC1 ZINC001595635977 981911321 /nfs/dbraw/zinc/91/13/21/981911321.db2.gz SSMZEUBYSOPMCG-HNNXBMFYSA-N -1 0 304.390 3.865 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594808211 981914717 /nfs/dbraw/zinc/91/47/17/981914717.db2.gz HJWLKNWBCMBGCY-CYBMUJFWSA-N -1 0 315.772 3.547 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001594808273 981915445 /nfs/dbraw/zinc/91/54/45/981915445.db2.gz LRVLDSXQWSCFTF-DJJJIMSYSA-N -1 0 317.429 3.806 20 0 DHADRM CCCC[C@H](NC(=O)c1c(C)ccc2cc(C)ccc21)C(=O)[O-] ZINC001595636377 981916622 /nfs/dbraw/zinc/91/66/22/981916622.db2.gz PFLYRJTUIXMLDT-INIZCTEOSA-N -1 0 313.397 3.830 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001594814229 981937295 /nfs/dbraw/zinc/93/72/95/981937295.db2.gz JTQAMBJYRIULEL-UHFFFAOYSA-N -1 0 305.418 3.605 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001594816290 981949983 /nfs/dbraw/zinc/94/99/83/981949983.db2.gz CQOCRSTVVPPXQF-UZRURVBFSA-N -1 0 317.429 3.757 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)c2ccccc21 ZINC000910476860 981952924 /nfs/dbraw/zinc/95/29/24/981952924.db2.gz SYIIQJCZHBDIBR-XYPHTWIQSA-N -1 0 313.397 3.552 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(CC(C)C)cc1 ZINC001594819414 981965294 /nfs/dbraw/zinc/96/52/94/981965294.db2.gz ZGUUBFLXIONVPE-LJQANCHMSA-N -1 0 319.445 3.577 20 0 DHADRM Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910543806 981988548 /nfs/dbraw/zinc/98/85/48/981988548.db2.gz DPTYJEDWMVZAFJ-ABAIWWIYSA-N -1 0 313.353 3.510 20 0 DHADRM CCCC[C@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC001595645734 981992236 /nfs/dbraw/zinc/99/22/36/981992236.db2.gz KPKYUSNPUHEWGN-IUCAKERBSA-N -1 0 304.795 3.692 20 0 DHADRM CCCC[C@H](OC(=O)c1cc(Cl)nc2ccccc21)C(=O)[O-] ZINC001595650899 982014602 /nfs/dbraw/zinc/01/46/02/982014602.db2.gz PCFLDRWMZZKVDX-ZDUSSCGKSA-N -1 0 321.760 3.688 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC001595651230 982019674 /nfs/dbraw/zinc/01/96/74/982019674.db2.gz DFBUAEHLDBVKMG-TZMCWYRMSA-N -1 0 315.479 3.543 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595651488 982022448 /nfs/dbraw/zinc/02/24/48/982022448.db2.gz GYKOONFEAOBJOA-JSGCOSHPSA-N -1 0 309.431 3.699 20 0 DHADRM CCCC[C@H](S[C@@H](C)C(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC001595652541 982035325 /nfs/dbraw/zinc/03/53/25/982035325.db2.gz VGMVIHJWCGZPEK-IPYPFGDCSA-N -1 0 323.458 3.629 20 0 DHADRM CCCC[C@@H](SCCC(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595655129 982042428 /nfs/dbraw/zinc/04/24/28/982042428.db2.gz HLQWBQGRBZZSSF-CQSZACIVSA-N -1 0 309.431 3.700 20 0 DHADRM CCCC[C@H](SCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC001595656774 982055903 /nfs/dbraw/zinc/05/59/03/982055903.db2.gz AIZLGZYMPKLEMX-JTQLQIEISA-N -1 0 312.416 3.675 20 0 DHADRM CCCCC1CCC(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC001595660241 982069774 /nfs/dbraw/zinc/06/97/74/982069774.db2.gz BQFBEGHRYAFRFG-JMLCCBQJSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)c1sc(NC(=O)/C=C2/CC[C@H](C)C2)nc1C(=O)[O-] ZINC000910700933 982070940 /nfs/dbraw/zinc/07/09/40/982070940.db2.gz MWERBMZYSGUGMU-CBFJXKFUSA-N -1 0 308.403 3.650 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595660619 982072616 /nfs/dbraw/zinc/07/26/16/982072616.db2.gz KRUSWAIUKPHWDY-GXTWGEPZSA-N -1 0 320.433 3.672 20 0 DHADRM C/C(=C\c1ccco1)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910705528 982074974 /nfs/dbraw/zinc/07/49/74/982074974.db2.gz IFUSPJKAXLXTMF-VQHVLOKHSA-N -1 0 320.370 3.600 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910707339 982076729 /nfs/dbraw/zinc/07/67/29/982076729.db2.gz XAJPQSWDRKWWRP-UHFFFAOYSA-N -1 0 324.427 3.895 20 0 DHADRM CCCCC1CCC(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001595661749 982076846 /nfs/dbraw/zinc/07/68/46/982076846.db2.gz XHWYXPCQXVVSTC-UHFFFAOYSA-N -1 0 320.433 3.809 20 0 DHADRM CCCCCC(C)(C)CNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595662988 982082025 /nfs/dbraw/zinc/08/20/25/982082025.db2.gz OFBWUOZSSGULEI-UHFFFAOYSA-N -1 0 321.421 3.816 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595663239 982082999 /nfs/dbraw/zinc/08/29/99/982082999.db2.gz RVDYIQAYXMQBHH-NTMALXAHSA-N -1 0 307.390 3.714 20 0 DHADRM CCC[C@H](CC)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910721723 982083950 /nfs/dbraw/zinc/08/39/50/982083950.db2.gz WOLUZLYGAWZCER-RYUDHWBXSA-N -1 0 324.446 3.640 20 0 DHADRM CC[C@](C)(NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1nccs1 ZINC001594852368 982093880 /nfs/dbraw/zinc/09/38/80/982093880.db2.gz JIUUALNUZDHULE-INIZCTEOSA-N -1 0 321.446 3.708 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C)c1 ZINC000910733823 982096475 /nfs/dbraw/zinc/09/64/75/982096475.db2.gz CRYKAGZBAMNXJS-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595666272 982098474 /nfs/dbraw/zinc/09/84/74/982098474.db2.gz HMRREFNWBSLGSJ-LLVKDONJSA-N -1 0 307.390 3.944 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741065 982102054 /nfs/dbraw/zinc/10/20/54/982102054.db2.gz DVLLFKBFBAOMCR-AWEZNQCLSA-N -1 0 314.382 3.576 20 0 DHADRM CCCCC[C@@H](C)CC(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595666613 982105863 /nfs/dbraw/zinc/10/58/63/982105863.db2.gz PAPWZOIVEBSUDY-SNVBAGLBSA-N -1 0 313.419 3.799 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595669271 982113402 /nfs/dbraw/zinc/11/34/02/982113402.db2.gz GXRPHPYCVPQDFT-FZMZJTMJSA-N -1 0 311.809 3.593 20 0 DHADRM CCCCC[C@@H](NC(=O)/C(C)=C/C1CCC(C)CC1)C(=O)[O-] ZINC001595669981 982116375 /nfs/dbraw/zinc/11/63/75/982116375.db2.gz LMHDAHVNWSHCPE-JNJBLNKMSA-N -1 0 309.450 3.909 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595670301 982117042 /nfs/dbraw/zinc/11/70/42/982117042.db2.gz OLNFMWWBTNQISS-CHWSQXEVSA-N -1 0 311.447 3.987 20 0 DHADRM CCCCC[C@H](CC)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595670512 982119131 /nfs/dbraw/zinc/11/91/31/982119131.db2.gz RANGTSWLDJNAFX-AWEZNQCLSA-N -1 0 321.417 3.616 20 0 DHADRM CCCCC[C@@H](NC(=O)/C(C)=C\c1ccccc1Cl)C(=O)[O-] ZINC001595670524 982119355 /nfs/dbraw/zinc/11/93/55/982119355.db2.gz RBPOKFDCEUTNNV-QYMJWVLRSA-N -1 0 323.820 3.893 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001595671701 982124304 /nfs/dbraw/zinc/12/43/04/982124304.db2.gz AUTGMNJGRNAXFR-UKRRQHHQSA-N -1 0 323.820 3.520 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910810011 982131082 /nfs/dbraw/zinc/13/10/82/982131082.db2.gz NKGNMSMFOPHXGZ-HWOWSKLDSA-N -1 0 309.450 3.743 20 0 DHADRM CCCCC[C@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001595672230 982131092 /nfs/dbraw/zinc/13/10/92/982131092.db2.gz NPEMMUMMWBESDQ-PBHICJAKSA-N -1 0 319.445 3.892 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595672864 982138291 /nfs/dbraw/zinc/13/82/91/982138291.db2.gz UZHLLPOUHPKBGT-DOTOQJQBSA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@H](NC(=O)Cc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001595672883 982138328 /nfs/dbraw/zinc/13/83/28/982138328.db2.gz RFHXGKNJOSXATL-KRWDZBQOSA-N -1 0 319.445 3.577 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-] ZINC001595676568 982148009 /nfs/dbraw/zinc/14/80/09/982148009.db2.gz MZRMMAUMGFTTDR-ZDUSSCGKSA-N -1 0 303.358 3.505 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2cc(C)ccc2s1)C(=O)[O-] ZINC001595677512 982151100 /nfs/dbraw/zinc/15/11/00/982151100.db2.gz XKPPFELXTHWJJP-ZDUSSCGKSA-N -1 0 319.426 3.973 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC001595677624 982152314 /nfs/dbraw/zinc/15/23/14/982152314.db2.gz YUNNVWDHRJMVID-AWEZNQCLSA-N -1 0 319.401 3.798 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC001595677626 982152458 /nfs/dbraw/zinc/15/24/58/982152458.db2.gz YUNNVWDHRJMVID-CQSZACIVSA-N -1 0 319.401 3.798 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC001595681714 982163781 /nfs/dbraw/zinc/16/37/81/982163781.db2.gz UNOVFJXVORVOHH-GFCCVEGCSA-N -1 0 317.307 3.527 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cccc2ccsc21)C(=O)[O-] ZINC001595682006 982165900 /nfs/dbraw/zinc/16/59/00/982165900.db2.gz ZQZYWCXWMHEVBJ-CYBMUJFWSA-N -1 0 305.399 3.665 20 0 DHADRM CC(C)(C)OCc1ccccc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000910945360 982170909 /nfs/dbraw/zinc/17/09/09/982170909.db2.gz TXGBCEPNXSFUQH-UHFFFAOYSA-N -1 0 317.341 3.545 20 0 DHADRM CCCCC[C@@H](Nc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC001595686517 982175241 /nfs/dbraw/zinc/17/52/41/982175241.db2.gz BUIZGWLPQLOHII-GFCCVEGCSA-N -1 0 305.403 3.651 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1scnc1C1CC1 ZINC000910956161 982176054 /nfs/dbraw/zinc/17/60/54/982176054.db2.gz ZTMQVBGMJGYOMR-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001594873417 982193459 /nfs/dbraw/zinc/19/34/59/982193459.db2.gz MMBNULMSAYPNTG-WBMJQRKESA-N -1 0 316.353 3.851 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595694677 982213551 /nfs/dbraw/zinc/21/35/51/982213551.db2.gz GSZCBUKTJLPPPG-MNOVXSKESA-N -1 0 312.435 3.625 20 0 DHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCCCC(=O)[O-] ZINC000674992221 1014816826 /nfs/dbraw/zinc/81/68/26/1014816826.db2.gz FAVZNJRKDFIFEN-GOSISDBHSA-N -1 0 305.418 3.796 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595695135 982216956 /nfs/dbraw/zinc/21/69/56/982216956.db2.gz PBSUUUMGIUQCQL-HDMKZQKVSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001595695325 982217929 /nfs/dbraw/zinc/21/79/29/982217929.db2.gz RXOMXLZJERHXCA-VGWMRTNUSA-N -1 0 309.450 3.695 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595695575 982219468 /nfs/dbraw/zinc/21/94/68/982219468.db2.gz XYWJHCBGEDGGFA-OLZOCXBDSA-N -1 0 311.447 3.987 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595695577 982219710 /nfs/dbraw/zinc/21/97/10/982219710.db2.gz XYWJHCBGEDGGFA-STQMWFEESA-N -1 0 311.447 3.987 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001595697931 982246655 /nfs/dbraw/zinc/24/66/55/982246655.db2.gz NPAZFFDYJAHQBB-CQSZACIVSA-N -1 0 320.433 3.848 20 0 DHADRM CCCCCC[C@H](C)CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O ZINC001595698250 982249949 /nfs/dbraw/zinc/24/99/49/982249949.db2.gz PXSKETMEWKRUFX-NSHDSACASA-N -1 0 322.405 3.851 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)NCc1ccccc1C(=O)[O-] ZINC001595699127 982256205 /nfs/dbraw/zinc/25/62/05/982256205.db2.gz VPEWBTWHIRPYRY-CQSZACIVSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC001595699575 982258889 /nfs/dbraw/zinc/25/88/89/982258889.db2.gz ZRXZCOGGBWTOOZ-CQSZACIVSA-N -1 0 321.417 3.547 20 0 DHADRM CCCCCCN(Cc1ccco1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595709234 982291342 /nfs/dbraw/zinc/29/13/42/982291342.db2.gz XPSRQOASTGIBFP-LSDHHAIUSA-N -1 0 321.417 3.689 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595711230 982298485 /nfs/dbraw/zinc/29/84/85/982298485.db2.gz SFGHMXVBFJOXFZ-CYBMUJFWSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)[O-])cc1 ZINC001595715701 982315035 /nfs/dbraw/zinc/31/50/35/982315035.db2.gz ZQVAFVGXQLWKQW-SFHVURJKSA-N -1 0 321.417 3.629 20 0 DHADRM CCCCCCOc1ccc(C(=O)N[C@](C)(CC)C(=O)[O-])cc1 ZINC001595715700 982315175 /nfs/dbraw/zinc/31/51/75/982315175.db2.gz ZQVAFVGXQLWKQW-GOSISDBHSA-N -1 0 321.417 3.629 20 0 DHADRM CCCCN(C(=O)CCc1ccccc1C(=O)[O-])[C@@H](C)CC ZINC001595731752 982364060 /nfs/dbraw/zinc/36/40/60/982364060.db2.gz HIFMORSZDYYSIA-AWEZNQCLSA-N -1 0 305.418 3.745 20 0 DHADRM CCCCN(CC(F)(F)F)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595741094 982399418 /nfs/dbraw/zinc/39/94/18/982399418.db2.gz CCCCNOPQBQILNJ-QMMMGPOBSA-N -1 0 310.341 3.567 20 0 DHADRM CCCCN(Cc1cc(C(=O)[O-])no1)Cc1ccccc1Cl ZINC001595749265 982422758 /nfs/dbraw/zinc/42/27/58/982422758.db2.gz UZUMDURQZCMKLO-UHFFFAOYSA-N -1 0 322.792 3.829 20 0 DHADRM CCCCOC(=O)CS[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001595764558 982482160 /nfs/dbraw/zinc/48/21/60/982482160.db2.gz QVXFWGRHMJNHIO-ZDUSSCGKSA-N -1 0 316.806 3.542 20 0 DHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCC1 ZINC000911605935 982536142 /nfs/dbraw/zinc/53/61/42/982536142.db2.gz JJNIDZPZHBSRDD-UHFFFAOYSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC001594929282 982547342 /nfs/dbraw/zinc/54/73/42/982547342.db2.gz RNSFIOSTIXXNIU-PELKAZGASA-N -1 0 312.822 3.818 20 0 DHADRM CCCCOc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC001595781135 982559701 /nfs/dbraw/zinc/55/97/01/982559701.db2.gz YDLAUGNOIVKFSH-UHFFFAOYSA-N -1 0 314.385 3.879 20 0 DHADRM CCCCS[C@@H](C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001595789305 982588540 /nfs/dbraw/zinc/58/85/40/982588540.db2.gz UUESKEZKUNOMQZ-RYUDHWBXSA-N -1 0 310.415 3.911 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)[O-] ZINC001594938050 982604818 /nfs/dbraw/zinc/60/48/18/982604818.db2.gz DNTWZCITZXUEQN-RKHAHWSXSA-N -1 0 317.429 3.576 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001594940209 982612967 /nfs/dbraw/zinc/61/29/67/982612967.db2.gz YZNLAJKXOSBYTH-XIRDDKMYSA-N -1 0 319.445 3.822 20 0 DHADRM CCCCc1noc(CSCc2cccc(C(=O)[O-])c2)n1 ZINC001595801893 982616142 /nfs/dbraw/zinc/61/61/42/982616142.db2.gz DHYYCIDKWTUHNT-UHFFFAOYSA-N -1 0 306.387 3.544 20 0 DHADRM CC(C)Oc1c(NC(=O)/C=C2\CC[C@@H](C)C2)cccc1C(=O)[O-] ZINC000911738240 982620723 /nfs/dbraw/zinc/62/07/23/982620723.db2.gz QJLFNXUOBJPREF-GMCKNXKJSA-N -1 0 317.385 3.857 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2CC23CCCC3)cccc1C(=O)[O-] ZINC000911738584 982621588 /nfs/dbraw/zinc/62/15/88/982621588.db2.gz FDYSPNCVTHNBLP-ZDUSSCGKSA-N -1 0 317.385 3.691 20 0 DHADRM CCCCn1c(C)c(C)nc1SC[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001595803188 982623225 /nfs/dbraw/zinc/62/32/25/982623225.db2.gz OSFDLHVKASTNOG-ZDUSSCGKSA-N -1 0 324.446 3.540 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC000914729159 982654200 /nfs/dbraw/zinc/65/42/00/982654200.db2.gz JFCUPYUEAAUFKK-GXTWGEPZSA-N -1 0 305.349 3.701 20 0 DHADRM O=C([O-])Cc1ccc(NCc2cccc(OC3CC3)c2F)cc1 ZINC000656566441 1014865239 /nfs/dbraw/zinc/86/52/39/1014865239.db2.gz JVUQXCABAKEWKH-UHFFFAOYSA-N -1 0 315.344 3.606 20 0 DHADRM CC[C@@H](C)C[C@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC001594952246 982665506 /nfs/dbraw/zinc/66/55/06/982665506.db2.gz GSLBHRDSTYMOBF-SKDRFNHKSA-N -1 0 323.343 3.869 20 0 DHADRM CC[C@H](C)C[C@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC001594952290 982667309 /nfs/dbraw/zinc/66/73/09/982667309.db2.gz IAXLSQNQDMLQCD-JQWIXIFHSA-N -1 0 313.357 3.677 20 0 DHADRM CCCN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@H](C)C(=O)[O-] ZINC001595816294 982670890 /nfs/dbraw/zinc/67/08/90/982670890.db2.gz HOMKMRISJHSZGY-AFYYWNPRSA-N -1 0 309.450 3.861 20 0 DHADRM CC[C@H](C)C[C@@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001594953707 982681546 /nfs/dbraw/zinc/68/15/46/982681546.db2.gz UYMNFBGPSDCQPH-GZMMTYOYSA-N -1 0 307.419 3.609 20 0 DHADRM CC[C@@H](C)CCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001594958531 982698589 /nfs/dbraw/zinc/69/85/89/982698589.db2.gz VTLXNIODZXWSEK-YPUOHESYSA-N -1 0 306.358 3.525 20 0 DHADRM CC[C@@H](C)CCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594958624 982699208 /nfs/dbraw/zinc/69/92/08/982699208.db2.gz DNSKUOALXNMJGK-SNVBAGLBSA-N -1 0 310.419 3.664 20 0 DHADRM CCCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595823427 982699564 /nfs/dbraw/zinc/69/95/64/982699564.db2.gz VXPVGABZTZZGJG-NEPJUHHUSA-N -1 0 309.793 3.584 20 0 DHADRM CC[C@H](C)CCCCC(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001594958657 982699891 /nfs/dbraw/zinc/69/98/91/982699891.db2.gz FBQBMICFLCFBSI-GUYCJALGSA-N -1 0 317.429 3.944 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594959104 982703743 /nfs/dbraw/zinc/70/37/43/982703743.db2.gz LJKQCBVBQAVINV-CQSZACIVSA-N -1 0 305.418 3.950 20 0 DHADRM CCCN(C(=O)c1cc(Cl)cc2ccccc21)[C@@H](C)C(=O)[O-] ZINC001595824474 982704503 /nfs/dbraw/zinc/70/45/03/982704503.db2.gz JDKWEBDGKPKQJE-NSHDSACASA-N -1 0 319.788 3.819 20 0 DHADRM Cc1ccc2c(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)csc2c1 ZINC000923153440 982767167 /nfs/dbraw/zinc/76/71/67/982767167.db2.gz UBLKGWVJMPXUPU-VXGBXAGGSA-N -1 0 317.410 3.535 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594983852 982790231 /nfs/dbraw/zinc/79/02/31/982790231.db2.gz QSDUEKDOGUBOGG-BYCMXARLSA-N -1 0 304.390 3.527 20 0 DHADRM CC(C)c1cnc(CN[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000656569739 1014881130 /nfs/dbraw/zinc/88/11/30/1014881130.db2.gz SEGQWAVNGFCFSZ-BLLLJJGKSA-N -1 0 318.442 3.613 20 0 DHADRM O=C([O-])CCC1(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CCCCC1 ZINC000923211764 982842745 /nfs/dbraw/zinc/84/27/45/982842745.db2.gz HOHRTIZFUGIQMZ-UONOGXRCSA-N -1 0 321.442 3.536 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001595007432 982924800 /nfs/dbraw/zinc/92/48/00/982924800.db2.gz BGGVJECADHHNCP-NSHDSACASA-N -1 0 318.348 3.708 20 0 DHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccsc2C(=O)[O-])c1 ZINC001595007948 982927016 /nfs/dbraw/zinc/92/70/16/982927016.db2.gz IMVFOBLDUNBLFC-SNVBAGLBSA-N -1 0 319.382 3.876 20 0 DHADRM CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001595008879 982930051 /nfs/dbraw/zinc/93/00/51/982930051.db2.gz SIKLDBDCSJYSHX-MGPQQGTHSA-N -1 0 319.401 3.693 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/C2CCCCC2)cc1 ZINC001116491166 982930808 /nfs/dbraw/zinc/93/08/08/982930808.db2.gz HDEGUPJDZPPKJS-KQPPXVQYSA-N -1 0 315.413 3.764 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1-n1cccn1 ZINC001262158464 983038357 /nfs/dbraw/zinc/03/83/57/983038357.db2.gz LOTDDOJYWWKQAD-ZDUSSCGKSA-N -1 0 301.390 3.564 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909502842 1014911799 /nfs/dbraw/zinc/91/17/99/1014911799.db2.gz GJVPDHSSWOSCJK-UVWXRNBGSA-N -1 0 324.446 3.543 20 0 DHADRM CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC001595960432 983151054 /nfs/dbraw/zinc/15/10/54/983151054.db2.gz IUZPUCWIEOAEJU-UHFFFAOYSA-N -1 0 323.732 3.672 20 0 DHADRM CCCOc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1F ZINC001595966300 983171502 /nfs/dbraw/zinc/17/15/02/983171502.db2.gz GOXOFDDFVROXCS-TZQJONAQSA-N -1 0 307.365 3.526 20 0 DHADRM CCCOc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1F ZINC001595966381 983172281 /nfs/dbraw/zinc/17/22/81/983172281.db2.gz JQIGTWHAYIHSTD-UHFFFAOYSA-N -1 0 307.321 3.826 20 0 DHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1ccc(O)cc1 ZINC000443451560 1014919759 /nfs/dbraw/zinc/91/97/59/1014919759.db2.gz YTCVKIVUVSWYGG-FLIBITNWSA-N -1 0 318.332 3.718 20 0 DHADRM CCC[C@@H](NC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001596002371 983260711 /nfs/dbraw/zinc/26/07/11/983260711.db2.gz PBMJPQXGHSBRDC-CYBMUJFWSA-N -1 0 319.426 3.810 20 0 DHADRM CCCc1c(C(=O)N[C@@H](CC)[C@H]2CC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037018 983316998 /nfs/dbraw/zinc/31/69/98/983316998.db2.gz YKFNDRJOCAOLGY-OLZOCXBDSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1cc(C(=O)N(CCC(=O)[O-])C(C)C)ccc1Cl ZINC001596052902 983353561 /nfs/dbraw/zinc/35/35/61/983353561.db2.gz KIJRUJAEHBYBAO-UHFFFAOYSA-N -1 0 311.809 3.618 20 0 DHADRM CCCc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)ccc1Cl ZINC001596055357 983358494 /nfs/dbraw/zinc/35/84/94/983358494.db2.gz PZINHLISMRSTLH-UHFFFAOYSA-N -1 0 321.760 3.514 20 0 DHADRM CCCc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)sc1C ZINC001596056710 983360368 /nfs/dbraw/zinc/36/03/68/983360368.db2.gz BQYRVHFJTAGDFB-UHFFFAOYSA-N -1 0 304.367 3.926 20 0 DHADRM CCCc1ccc(-c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001596058080 983364492 /nfs/dbraw/zinc/36/44/92/983364492.db2.gz FTTITCXGXDYHJA-ZWKOTPCHSA-N -1 0 323.392 3.965 20 0 DHADRM CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001596063156 983374058 /nfs/dbraw/zinc/37/40/58/983374058.db2.gz SZOLQZUAXOGJJV-UHFFFAOYSA-N -1 0 319.307 3.868 20 0 DHADRM CCCc1cccc(CNc2ccc3cnn(CC(=O)[O-])c3c2)c1 ZINC001596070431 983385025 /nfs/dbraw/zinc/38/50/25/983385025.db2.gz CFKRRAJSJQGBJT-UHFFFAOYSA-N -1 0 323.396 3.686 20 0 DHADRM CCCc1ccccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001596070709 983387340 /nfs/dbraw/zinc/38/73/40/983387340.db2.gz VXEREWLJURFORC-KRWDZBQOSA-N -1 0 317.429 3.793 20 0 DHADRM CCCc1sc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1CC ZINC001596105530 983429400 /nfs/dbraw/zinc/42/94/00/983429400.db2.gz GMHGOBSATSQQBI-UHFFFAOYSA-N -1 0 320.414 3.552 20 0 DHADRM CCCn1ncc(NCc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC001596120543 983455042 /nfs/dbraw/zinc/45/50/42/983455042.db2.gz OYMKCZTVGRKILN-UHFFFAOYSA-N -1 0 317.364 3.620 20 0 DHADRM CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccccc1C(=O)[O-] ZINC001596137947 983488263 /nfs/dbraw/zinc/48/82/63/983488263.db2.gz PTQHSABYXWRMFM-LSDHHAIUSA-N -1 0 301.386 3.564 20 0 DHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1cc(C)cc(C)c1 ZINC001596137980 983488402 /nfs/dbraw/zinc/48/84/02/983488402.db2.gz QDGQSOHGZRPKIY-AATRIKPKSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001596165018 983528744 /nfs/dbraw/zinc/52/87/44/983528744.db2.gz HVGYGOKEULYCRK-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1cc(C)cc(C)c1 ZINC001596174392 983540225 /nfs/dbraw/zinc/54/02/25/983540225.db2.gz CHFHVMAJGBHYJT-UHFFFAOYSA-N -1 0 301.342 3.570 20 0 DHADRM Cc1nc([C@H](C)NC(=O)[C@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000909509744 1014973736 /nfs/dbraw/zinc/97/37/36/1014973736.db2.gz YOKUOSNHZCAIEB-WDEREUQCSA-N -1 0 324.446 3.543 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001596311132 983738351 /nfs/dbraw/zinc/73/83/51/983738351.db2.gz FOXDWTSEWPSSFB-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM CCN(Cc1c(F)cccc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001596354339 983816815 /nfs/dbraw/zinc/81/68/15/983816815.db2.gz LCGCBSGXUNFENZ-INIZCTEOSA-N -1 0 305.324 3.613 20 0 DHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596371765 983872942 /nfs/dbraw/zinc/87/29/42/983872942.db2.gz KQNFXNDJEKXWIM-UHFFFAOYSA-N -1 0 312.369 3.747 20 0 DHADRM CCN(Cc1ccccc1CC(=O)[O-])c1cccc(C)c1F ZINC001596371894 983875140 /nfs/dbraw/zinc/87/51/40/983875140.db2.gz SITVQUYZZNVNJX-UHFFFAOYSA-N -1 0 301.361 3.788 20 0 DHADRM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000665349798 1014994510 /nfs/dbraw/zinc/99/45/10/1014994510.db2.gz VEVGAAFYZSLGAG-UHFFFAOYSA-N -1 0 301.386 3.879 20 0 DHADRM CC1CCC(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000522336245 1015041351 /nfs/dbraw/zinc/04/13/51/1015041351.db2.gz UPSOMIKYMZQVHE-UHFFFAOYSA-N -1 0 321.471 3.843 20 0 DHADRM CCOC(=O)C[C@@H](C)S[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596592045 984526846 /nfs/dbraw/zinc/52/68/46/984526846.db2.gz AHFZCMCHTRKDFW-NOZJJQNGSA-N -1 0 316.806 3.541 20 0 DHADRM C=Cc1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1 ZINC001588919433 984572191 /nfs/dbraw/zinc/57/21/91/984572191.db2.gz LNMNVNPYEKMGQW-UHFFFAOYSA-N -1 0 310.349 3.911 20 0 DHADRM C/C(=C/C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001588932435 984608076 /nfs/dbraw/zinc/60/80/76/984608076.db2.gz DGWALBRWICPUMQ-RAXLEYEMSA-N -1 0 321.392 3.577 20 0 DHADRM C/C(=C/C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001588937464 984616580 /nfs/dbraw/zinc/61/65/80/984616580.db2.gz IISQJPAXBMTKGP-KUGGDMIFSA-N -1 0 321.804 3.599 20 0 DHADRM C/C(=C\C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccs1 ZINC001588939021 984626375 /nfs/dbraw/zinc/62/63/75/984626375.db2.gz PVSQZZWKVWNOAA-OUKQBFOZSA-N -1 0 321.442 3.835 20 0 DHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001599886296 984640585 /nfs/dbraw/zinc/64/05/85/984640585.db2.gz FHCHGJMPGHCLDE-GFCCVEGCSA-N -1 0 317.429 3.581 20 0 DHADRM C/C(=C\C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1cccs1 ZINC001588946506 984657127 /nfs/dbraw/zinc/65/71/27/984657127.db2.gz RINZQXDVLRFFOV-LMMOQWNQSA-N -1 0 315.394 3.978 20 0 DHADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001599889583 984678190 /nfs/dbraw/zinc/67/81/90/984678190.db2.gz SDUZMUNNTQDISM-NZXMKCKXSA-N -1 0 317.168 3.503 20 0 DHADRM C[C@H](CC(=O)[O-])Nc1oc(-c2ccccc2)nc1C(F)(F)F ZINC001599889646 984679234 /nfs/dbraw/zinc/67/92/34/984679234.db2.gz UYQLUSAKOSZSIS-MRVPVSSYSA-N -1 0 314.263 3.636 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001588951994 984683598 /nfs/dbraw/zinc/68/35/98/984683598.db2.gz JZJTWVLHTFRCRN-QPJJXVBHSA-N -1 0 316.304 3.705 20 0 DHADRM C/C(=C/C(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC001588952649 984687839 /nfs/dbraw/zinc/68/78/39/984687839.db2.gz BRZHBTNCRULIFY-KHPPLWFESA-N -1 0 322.788 3.930 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001588956456 984704536 /nfs/dbraw/zinc/70/45/36/984704536.db2.gz PPHFKZJWPOBZMU-KAMYIIQDSA-N -1 0 307.434 3.663 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C1CCCCCC1 ZINC001599895239 984744320 /nfs/dbraw/zinc/74/43/20/984744320.db2.gz WSMRTNYCZXGKGH-LBPRGKRZSA-N -1 0 304.390 3.865 20 0 DHADRM C[C@H](OC(=O)c1cc(F)ccc1F)c1ccc(C(=O)[O-])cc1 ZINC001599904407 984904159 /nfs/dbraw/zinc/90/41/59/984904159.db2.gz WRDZRIYNKMRWNS-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM C[C@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001599904529 984905405 /nfs/dbraw/zinc/90/54/05/984905405.db2.gz RJJKGWHKFIIEEF-NSHDSACASA-N -1 0 318.756 3.885 20 0 DHADRM C/C(=C\CSc1nc2cc(F)cc(Cl)c2o1)C(=O)[O-] ZINC001588990798 984912154 /nfs/dbraw/zinc/91/21/54/984912154.db2.gz HDDCCRUKZCNGHD-QHHAFSJGSA-N -1 0 301.726 3.743 20 0 DHADRM CC(=O)[C@H](C)S[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589022695 985018148 /nfs/dbraw/zinc/01/81/48/985018148.db2.gz DIILNAOWROLHSM-KWQFWETISA-N -1 0 306.305 3.542 20 0 DHADRM CCO[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(C)C ZINC001596767921 985182904 /nfs/dbraw/zinc/18/29/04/985182904.db2.gz RBXFCWUXRHFCRW-ZDUSSCGKSA-N -1 0 321.398 3.599 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000656737612 1015106657 /nfs/dbraw/zinc/10/66/57/1015106657.db2.gz JWOUVVUNWAZBMX-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM Cc1nc(=O)[nH]c(SCc2cccc(C(C)C)c2)c1C(=O)[O-] ZINC001599941991 985466599 /nfs/dbraw/zinc/46/65/99/985466599.db2.gz HVBUTSANVIDCTA-UHFFFAOYSA-N -1 0 318.398 3.605 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001594479213 985512530 /nfs/dbraw/zinc/51/25/30/985512530.db2.gz HYAMSOXNUZJEQR-SCLBCKFNSA-N -1 0 324.380 3.539 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001594481338 985527043 /nfs/dbraw/zinc/52/70/43/985527043.db2.gz VODCDOSDSKLFJL-GFCCVEGCSA-N -1 0 310.353 3.536 20 0 DHADRM Cc1[nH]c(C(=O)CSCCCC(C)(F)F)c(C)c1C(=O)[O-] ZINC001599949600 985585137 /nfs/dbraw/zinc/58/51/37/985585137.db2.gz JZMAIQIYAGHQLJ-UHFFFAOYSA-N -1 0 319.373 3.681 20 0 DHADRM CC(=O)Nc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC001589199413 985631428 /nfs/dbraw/zinc/63/14/28/985631428.db2.gz JQWQWTRWIWXBSD-UHFFFAOYSA-N -1 0 322.748 3.510 20 0 DHADRM CC(=O)Nc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001589211711 985703226 /nfs/dbraw/zinc/70/32/26/985703226.db2.gz NDVHZSZNGNBFSM-UHFFFAOYSA-N -1 0 312.369 3.572 20 0 DHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSC1CCC(F)(F)CC1 ZINC001599959944 985763206 /nfs/dbraw/zinc/76/32/06/985763206.db2.gz CNKRJVNSQIPTER-UHFFFAOYSA-N -1 0 317.357 3.515 20 0 DHADRM CC(=O)c1c(C)cc(OC[C@@H]2CCCC[C@H]2C(=O)[O-])cc1C ZINC001589255436 985893483 /nfs/dbraw/zinc/89/34/83/985893483.db2.gz XNAXKLFHBWDWQA-GOEBONIOSA-N -1 0 304.386 3.776 20 0 DHADRM CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC001589278401 985998581 /nfs/dbraw/zinc/99/85/81/985998581.db2.gz CMIYDMCTBVPQIW-JTQLQIEISA-N -1 0 318.350 3.567 20 0 DHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)c2cccc(Cl)c2O1 ZINC001594536150 986150808 /nfs/dbraw/zinc/15/08/08/986150808.db2.gz PIYZIEGVCYJSLM-SECBINFHSA-N -1 0 323.801 3.887 20 0 DHADRM CCON(Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1 ZINC001596968902 986187448 /nfs/dbraw/zinc/18/74/48/986187448.db2.gz QONLLMBQHHLWCN-UHFFFAOYSA-N -1 0 305.399 3.708 20 0 DHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001589336709 986224356 /nfs/dbraw/zinc/22/43/56/986224356.db2.gz KZWXQISEMAPZPL-GFCCVEGCSA-N -1 0 323.820 3.689 20 0 DHADRM Cc1c(NC(=O)C2C3CC4CC(C3)CC2C4)cccc1C(=O)[O-] ZINC000390867778 1015220344 /nfs/dbraw/zinc/22/03/44/1015220344.db2.gz PWTLJYOABSHQLC-UHFFFAOYSA-N -1 0 313.397 3.704 20 0 DHADRM CCOc1cc(/C=C\c2ccc(C(=O)[O-])cn2)cc(Cl)c1O ZINC001597033014 986459047 /nfs/dbraw/zinc/45/90/47/986459047.db2.gz JNXPECPVBLZHKA-HYXAFXHYSA-N -1 0 319.744 3.708 20 0 DHADRM CCOc1cc(Cl)ccc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001597036175 986475911 /nfs/dbraw/zinc/47/59/11/986475911.db2.gz AACOOIOAMNNBIP-UHFFFAOYSA-N -1 0 323.732 3.591 20 0 DHADRM CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001597062174 986554021 /nfs/dbraw/zinc/55/40/21/986554021.db2.gz PEABMKJKKHHFIG-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001594614939 986629617 /nfs/dbraw/zinc/62/96/17/986629617.db2.gz JEVMVZCAZLRJMB-SNVBAGLBSA-N -1 0 315.756 3.630 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC001589428386 986700662 /nfs/dbraw/zinc/70/06/62/986700662.db2.gz FBFKSCJCCMYAEH-QMMMGPOBSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@H]([C@H](C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001589429782 986713091 /nfs/dbraw/zinc/71/30/91/986713091.db2.gz PYBTYDXNHIGKSI-DTWKUNHWSA-N -1 0 313.344 3.920 20 0 DHADRM C[C@@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccco1 ZINC001589430571 986719681 /nfs/dbraw/zinc/71/96/81/986719681.db2.gz UCJRIAYIDRVMEQ-SSDOTTSWSA-N -1 0 311.696 3.513 20 0 DHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(C)(C)C ZINC001589436620 986754865 /nfs/dbraw/zinc/75/48/65/986754865.db2.gz ZMBXBPOKTVKDDS-SSDOTTSWSA-N -1 0 301.745 3.798 20 0 DHADRM C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C(C)(F)F ZINC001589448638 986828911 /nfs/dbraw/zinc/82/89/11/986828911.db2.gz QUWUQACEJWZZRO-ZETCQYMHSA-N -1 0 319.373 3.974 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])cc2)c2ncccc12 ZINC001597124267 986830472 /nfs/dbraw/zinc/83/04/72/986830472.db2.gz ZHFAAHKEQIJIHQ-UHFFFAOYSA-N -1 0 322.364 3.944 20 0 DHADRM CCOc1ccc([C@@H]2C[C@H]2Nc2nc(C(=O)[O-])c(C)s2)cc1 ZINC001597139709 986881069 /nfs/dbraw/zinc/88/10/69/986881069.db2.gz GOFSIGKLISDOLV-QWHCGFSZSA-N -1 0 318.398 3.516 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001589459120 986907886 /nfs/dbraw/zinc/90/78/86/986907886.db2.gz VUXOKWGCPVZXRC-CZUORRHYSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC001589470021 986951187 /nfs/dbraw/zinc/95/11/87/986951187.db2.gz UDNQTJKXGCSESW-NOZJJQNGSA-N -1 0 323.801 3.593 20 0 DHADRM CCOc1cccc(CSCc2ccccc2CC(=O)[O-])n1 ZINC001597155690 986952236 /nfs/dbraw/zinc/95/22/36/986952236.db2.gz SARTWUTTXSJTQK-UHFFFAOYSA-N -1 0 317.410 3.541 20 0 DHADRM CCOc1ccccc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001597168157 986996663 /nfs/dbraw/zinc/99/66/63/986996663.db2.gz KCRINKSIUCDRGP-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM C/C=C(\CC)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594676650 987008176 /nfs/dbraw/zinc/00/81/76/987008176.db2.gz RFQNCHXYENSMKN-AHAUYKDXSA-N -1 0 316.275 3.888 20 0 DHADRM C/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677604 987016574 /nfs/dbraw/zinc/01/65/74/987016574.db2.gz PKQNZZHZZQAVTC-UFVHFEBBSA-N -1 0 303.141 3.629 20 0 DHADRM CC/C(=C\C(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(C)cc1 ZINC001594690731 987082540 /nfs/dbraw/zinc/08/25/40/987082540.db2.gz ABSQGQUEHJLRNV-FQZGENGWSA-N -1 0 315.413 3.643 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccsc2)cc1 ZINC001589502710 987105457 /nfs/dbraw/zinc/10/54/57/987105457.db2.gz IKLGTFCIQNOBQE-FOKSMMDQSA-N -1 0 301.367 3.588 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccsc2)cc1 ZINC001589502712 987105631 /nfs/dbraw/zinc/10/56/31/987105631.db2.gz IKLGTFCIQNOBQE-IGVIJBNESA-N -1 0 301.367 3.588 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](F)c2ccccc2)c1 ZINC001589523424 987189917 /nfs/dbraw/zinc/18/99/17/987189917.db2.gz XXVKGCMGPBJCGV-NHYWBVRUSA-N -1 0 301.317 3.524 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(Cl)c2F)c1 ZINC001589532117 987210591 /nfs/dbraw/zinc/21/05/91/987210591.db2.gz MQACTFMHRJAWIS-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccsc3[nH]2)c1 ZINC001589533152 987223753 /nfs/dbraw/zinc/22/37/53/987223753.db2.gz YFXUFMFEVHYIGT-SECBINFHSA-N -1 0 314.366 3.670 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccccc2F)c1 ZINC001589534181 987229929 /nfs/dbraw/zinc/22/99/29/987229929.db2.gz VSZCGUKBIVXSAG-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)C1CCC(C)CC1 ZINC001594730147 987248495 /nfs/dbraw/zinc/24/84/95/987248495.db2.gz PCGAYNUTMLXQKP-IHTQCXBNSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001589541046 987251338 /nfs/dbraw/zinc/25/13/38/987251338.db2.gz XIAZNFFYQLFZGR-JVXZTZIISA-N -1 0 317.168 3.503 20 0 DHADRM C[C@H](C(=O)OC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001589542480 987254116 /nfs/dbraw/zinc/25/41/16/987254116.db2.gz CCLOGDJTQBDIRR-IFQILLTASA-N -1 0 310.777 3.630 20 0 DHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CCC(C)CC1 ZINC001594735768 987272022 /nfs/dbraw/zinc/27/20/22/987272022.db2.gz GSTVBUXGONSJJJ-LCSXWQTCSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)[C@H](C)C(C)(C)C ZINC001589553185 987288848 /nfs/dbraw/zinc/28/88/48/987288848.db2.gz LCYZPWOZLRLXJK-RYUDHWBXSA-N -1 0 321.417 3.675 20 0 DHADRM CCSCCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001597263520 987288846 /nfs/dbraw/zinc/28/88/46/987288846.db2.gz HBGXQOUEOZVBSF-UHFFFAOYSA-N -1 0 323.439 3.535 20 0 DHADRM CCSCc1ccc(C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001597264852 987291996 /nfs/dbraw/zinc/29/19/96/987291996.db2.gz AAUWASQOAVYDNE-UHFFFAOYSA-N -1 0 322.426 3.740 20 0 DHADRM CCSCc1cccc(NCc2ncc(C(=O)[O-])s2)c1 ZINC001597265403 987296897 /nfs/dbraw/zinc/29/68/97/987296897.db2.gz UDBOAENRPZJZOG-UHFFFAOYSA-N -1 0 308.428 3.707 20 0 DHADRM CC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001597291783 987382388 /nfs/dbraw/zinc/38/23/88/987382388.db2.gz XKGRCHMMUHVFJJ-JOYOIKCWSA-N -1 0 308.378 3.782 20 0 DHADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001597297475 987399044 /nfs/dbraw/zinc/39/90/44/987399044.db2.gz LOZQQUBHXHZWEW-JLZZUVOBSA-N -1 0 311.381 3.518 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001597336406 987474377 /nfs/dbraw/zinc/47/43/77/987474377.db2.gz NWXAJCFQYRYQEN-VIFPVBQESA-N -1 0 324.686 3.501 20 0 DHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001597336724 987476347 /nfs/dbraw/zinc/47/63/47/987476347.db2.gz UIFHAVCAONDTSL-HNNXBMFYSA-N -1 0 316.332 3.797 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C)c(F)c1 ZINC001597355357 987500813 /nfs/dbraw/zinc/50/08/13/987500813.db2.gz CDAAEGLNPZFIOQ-IPYPFGDCSA-N -1 0 308.349 3.629 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCCc2ccc(F)cc2F)cc1 ZINC001589641219 987563721 /nfs/dbraw/zinc/56/37/21/987563721.db2.gz NUFQFXQTBILEML-UHFFFAOYSA-N -1 0 319.351 3.982 20 0 DHADRM CCc1[nH]c(CN(C)Cc2ccc(Cl)s2)cc1C(=O)[O-] ZINC001597380740 987578504 /nfs/dbraw/zinc/57/85/04/987578504.db2.gz XTBILBMBBXWZHC-UHFFFAOYSA-N -1 0 312.822 3.622 20 0 DHADRM CCc1[nH]c(CN[C@@H](CC(C)(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC001597392646 987627176 /nfs/dbraw/zinc/62/71/76/987627176.db2.gz VQUVNZWHCHRAJC-LBPRGKRZSA-N -1 0 320.355 3.732 20 0 DHADRM CCc1[nH]c(CNc2ccc(-c3cnco3)cc2)cc1C(=O)[O-] ZINC001597395025 987645376 /nfs/dbraw/zinc/64/53/76/987645376.db2.gz KWQWNBBXBPFEBU-UHFFFAOYSA-N -1 0 311.341 3.542 20 0 DHADRM CC(C)(C(=O)Oc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC001589681705 987714246 /nfs/dbraw/zinc/71/42/46/987714246.db2.gz AJSXCBJDNARHTP-UHFFFAOYSA-N -1 0 310.655 3.532 20 0 DHADRM CCc1c[nH]c2ncnc(Oc3ccc(C(=O)[O-])cc3Cl)c12 ZINC001597420980 987736752 /nfs/dbraw/zinc/73/67/52/987736752.db2.gz CMDYKEBQIXZODQ-UHFFFAOYSA-N -1 0 317.732 3.664 20 0 DHADRM CC(C)(C)C(C)(C)CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001589699744 987787468 /nfs/dbraw/zinc/78/74/68/987787468.db2.gz QKTQIVWUADRSJV-UHFFFAOYSA-N -1 0 309.450 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001597440195 987798461 /nfs/dbraw/zinc/79/84/61/987798461.db2.gz AQHALYDTKNIIQU-JTQLQIEISA-N -1 0 307.415 3.918 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001597450636 987841461 /nfs/dbraw/zinc/84/14/61/987841461.db2.gz ZSYKVLFLDGTBAU-JBBXEZCESA-N -1 0 323.392 3.935 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC001597453822 987857464 /nfs/dbraw/zinc/85/74/64/987857464.db2.gz STFWDEWGNJWOHH-VXGBXAGGSA-N -1 0 304.390 3.600 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccccc1 ZINC001597454113 987859590 /nfs/dbraw/zinc/85/95/90/987859590.db2.gz YUIVLZIVDOIBPS-UHFFFAOYSA-N -1 0 312.369 3.611 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccsc1 ZINC001597456416 987860914 /nfs/dbraw/zinc/86/09/14/987860914.db2.gz BLHFDKLQTOYOAS-JTQLQIEISA-N -1 0 318.398 3.891 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC12CCC(CC1)C2 ZINC001597457400 987873488 /nfs/dbraw/zinc/87/34/88/987873488.db2.gz KLALCKVLRMAIJU-UHFFFAOYSA-N -1 0 316.401 3.649 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001589726884 987915773 /nfs/dbraw/zinc/91/57/73/987915773.db2.gz TWOLDJVXRFHHHY-AAFJCEBUSA-N -1 0 321.461 3.766 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC001589727085 987919939 /nfs/dbraw/zinc/91/99/39/987919939.db2.gz XDAOHVUDGXCLFP-JRSKDTKFSA-N -1 0 309.450 3.695 20 0 DHADRM CCc1cc(CCCSCc2ccccc2C(=O)[O-])on1 ZINC001597470864 987926698 /nfs/dbraw/zinc/92/66/98/987926698.db2.gz KWTOLRILNARAQF-UHFFFAOYSA-N -1 0 305.399 3.801 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001589728173 987927635 /nfs/dbraw/zinc/92/76/35/987927635.db2.gz FQJRKRZVPLHEQJ-WDEREUQCSA-N -1 0 309.431 3.781 20 0 DHADRM CCc1cc(C)c(OC(=O)/C=C/c2cc(C(=O)[O-])co2)c(C)c1 ZINC001597471393 987932832 /nfs/dbraw/zinc/93/28/32/987932832.db2.gz HMXIJSAXNHOYRW-AATRIKPKSA-N -1 0 314.337 3.776 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001589729154 987941404 /nfs/dbraw/zinc/94/14/04/987941404.db2.gz UKYGBEIKLYSZMW-XQLPTFJDSA-N -1 0 324.465 3.534 20 0 DHADRM CCc1cc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nc(CC)n1 ZINC001597482542 987979491 /nfs/dbraw/zinc/97/94/91/987979491.db2.gz LFSIEDNJKCHHIT-GFCCVEGCSA-N -1 0 313.401 3.608 20 0 DHADRM CS/C=C\C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599790413 987997007 /nfs/dbraw/zinc/99/70/07/987997007.db2.gz KEPUYNTVMFDJIN-PLNGDYQASA-N -1 0 306.170 3.507 20 0 DHADRM CC(C)(C)[C@H]1Cc2ccccc2N(Cc2cc(C(=O)[O-])no2)C1 ZINC001589738804 988006560 /nfs/dbraw/zinc/00/65/60/988006560.db2.gz WGZVPQLCKUKFKO-ZDUSSCGKSA-N -1 0 314.385 3.598 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001589741756 988015379 /nfs/dbraw/zinc/01/53/79/988015379.db2.gz GEJSTRKSZDPNTB-UHFFFAOYSA-N -1 0 303.402 3.736 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001589742084 988016294 /nfs/dbraw/zinc/01/62/94/988016294.db2.gz LTQGHEHWFLXYMI-CQSZACIVSA-N -1 0 317.429 3.739 20 0 DHADRM CC(C)(C)CC(C)(C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001589742465 988019244 /nfs/dbraw/zinc/01/92/44/988019244.db2.gz TXRZJGAGDUAXIE-UHFFFAOYSA-N -1 0 305.418 3.648 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001597502882 988070283 /nfs/dbraw/zinc/07/02/83/988070283.db2.gz KTNORAUSRDLSDT-UHFFFAOYSA-N -1 0 303.745 3.853 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC[C@H](O)c2ccc(Cl)cc2)c1 ZINC001597506394 988075873 /nfs/dbraw/zinc/07/58/73/988075873.db2.gz DBJOHTYZDVGECT-HNNXBMFYSA-N -1 0 320.772 3.713 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-] ZINC001589760410 988084895 /nfs/dbraw/zinc/08/48/95/988084895.db2.gz RHBDRXITAADHJK-VXGBXAGGSA-N -1 0 310.415 3.601 20 0 DHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474435687 1015359440 /nfs/dbraw/zinc/35/94/40/1015359440.db2.gz CKIDQCILIUJJCX-SNVBAGLBSA-N -1 0 323.751 3.899 20 0 DHADRM CC(C)(C)CCCCC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001589771675 988122957 /nfs/dbraw/zinc/12/29/57/988122957.db2.gz AQUNHDXJKQWIMI-UHFFFAOYSA-N -1 0 319.445 3.749 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589771770 988124196 /nfs/dbraw/zinc/12/41/96/988124196.db2.gz GIZXULIJWSCZGC-CQSZACIVSA-N -1 0 311.466 3.942 20 0 DHADRM CC(C)(C)CCCCC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001589771834 988125302 /nfs/dbraw/zinc/12/53/02/988125302.db2.gz JXUZGEORIBHKRB-UHFFFAOYSA-N -1 0 309.381 3.747 20 0 DHADRM CC(C)(C)CCCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001589771978 988127781 /nfs/dbraw/zinc/12/77/81/988127781.db2.gz RQBSXECHJARDLJ-HNNXBMFYSA-N -1 0 305.418 3.578 20 0 DHADRM CC(C)(C)CCCCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001589771980 988127840 /nfs/dbraw/zinc/12/78/40/988127840.db2.gz RQDKZUVLMLPFIC-UHFFFAOYSA-N -1 0 303.402 3.880 20 0 DHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444767 1015363772 /nfs/dbraw/zinc/36/37/72/1015363772.db2.gz IVSSFXKZFXIGNH-ZANVPECISA-N -1 0 315.772 3.719 20 0 DHADRM CC(C)(C)CCCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589772001 988128934 /nfs/dbraw/zinc/12/89/34/988128934.db2.gz SZKBGZANSIGVAX-RDTXWAMCSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C)CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589776926 988140371 /nfs/dbraw/zinc/14/03/71/988140371.db2.gz LOHUBTPSXLUVSM-CQSZACIVSA-N -1 0 320.433 3.574 20 0 DHADRM CC(C)(C)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589779934 988145639 /nfs/dbraw/zinc/14/56/39/988145639.db2.gz BUEXBLVCPTWETL-HUUCEWRRSA-N -1 0 317.429 3.957 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)c2ccccc2C(=O)[O-])n1 ZINC001589788781 988171871 /nfs/dbraw/zinc/17/18/71/988171871.db2.gz FCONKNHZZDGRGI-UHFFFAOYSA-N -1 0 318.398 3.682 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001589789122 988174033 /nfs/dbraw/zinc/17/40/33/988174033.db2.gz NPPCVLBUYPOFHC-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM CSCc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001599802190 988195517 /nfs/dbraw/zinc/19/55/17/988195517.db2.gz DWCOFUXFDGYDII-UHFFFAOYSA-N -1 0 316.378 3.605 20 0 DHADRM CCc1ccc(NC(=O)CCc2ccc(C)s2)c(C(=O)[O-])c1 ZINC001597542477 988230814 /nfs/dbraw/zinc/23/08/14/988230814.db2.gz CXDBIBDTOAGDNB-UHFFFAOYSA-N -1 0 317.410 3.888 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1 ZINC001597543169 988238580 /nfs/dbraw/zinc/23/85/80/988238580.db2.gz VUYRRAIQHARORY-ZSOGYDGISA-N -1 0 301.386 3.712 20 0 DHADRM CSc1c(F)cccc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599806033 988257378 /nfs/dbraw/zinc/25/73/78/988257378.db2.gz IYGHITLUTSCRFJ-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CCc1ccc(NC(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1 ZINC001597551204 988272396 /nfs/dbraw/zinc/27/23/96/988272396.db2.gz VVKDOTFPBCTFMH-UHFFFAOYSA-N -1 0 319.307 3.786 20 0 DHADRM CCc1ccc(NC(=O)c2ccc3nc(C)oc3c2)c(C(=O)[O-])c1 ZINC001597551361 988273648 /nfs/dbraw/zinc/27/36/48/988273648.db2.gz YPJMHVGADPRPGN-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM CSc1cc(C)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)o1 ZINC001599808384 988293418 /nfs/dbraw/zinc/29/34/18/988293418.db2.gz FLVFGTLPHIBECF-UHFFFAOYSA-N -1 0 316.338 3.725 20 0 DHADRM CSc1cc(C)c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])o1 ZINC001599809069 988302578 /nfs/dbraw/zinc/30/25/78/988302578.db2.gz ZPCUFASIFGZMQS-UHFFFAOYSA-N -1 0 319.382 3.877 20 0 DHADRM CC(C)(C)OC(=O)[C@H](Sc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001589844052 988352795 /nfs/dbraw/zinc/35/27/95/988352795.db2.gz LLFZMPLUGOSFFD-CYBMUJFWSA-N -1 0 308.399 3.597 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599811964 988352998 /nfs/dbraw/zinc/35/29/98/988352998.db2.gz MFYKMLWMUYNPBL-SNVBAGLBSA-N -1 0 320.366 3.926 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1ccc(C)cc1 ZINC001597574082 988360167 /nfs/dbraw/zinc/36/01/67/988360167.db2.gz YSESDHJUKXJBGG-UHFFFAOYSA-N -1 0 311.381 3.827 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C1CCC2(CC2)CC1 ZINC001597575953 988363402 /nfs/dbraw/zinc/36/34/02/988363402.db2.gz GIXUZMGGMGDJCV-UHFFFAOYSA-N -1 0 301.386 3.856 20 0 DHADRM CSc1ccc(CN2CCc3cc(C(=O)[O-])ccc32)s1 ZINC001599812767 988365501 /nfs/dbraw/zinc/36/55/01/988365501.db2.gz DQZKIIOVFGUEPV-UHFFFAOYSA-N -1 0 305.424 3.731 20 0 DHADRM CCc1cccc(CC)c1-n1ccnc1S[C@H](C)C(=O)[O-] ZINC001597584928 988393222 /nfs/dbraw/zinc/39/32/22/988393222.db2.gz IZVOJVLCZNGRGX-LLVKDONJSA-N -1 0 304.415 3.562 20 0 DHADRM CSc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001599814501 988397286 /nfs/dbraw/zinc/39/72/86/988397286.db2.gz LWLNRVFTTCNBLC-UHFFFAOYSA-N -1 0 319.357 3.522 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CCSc2ccccc2)c1 ZINC000013094583 1015381535 /nfs/dbraw/zinc/38/15/35/1015381535.db2.gz GPWVBNFOQNKYAG-UHFFFAOYSA-N -1 0 301.367 3.506 20 0 DHADRM CCc1cccc(COC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001597592635 988419879 /nfs/dbraw/zinc/41/98/79/988419879.db2.gz JLLBAZMCRKKYHV-UHFFFAOYSA-N -1 0 304.386 3.717 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)cn1CC ZINC001597594844 988434089 /nfs/dbraw/zinc/43/40/89/988434089.db2.gz XHKTZWQYEVTHJO-UHFFFAOYSA-N -1 0 320.776 3.674 20 0 DHADRM CSc1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC001599817872 988458552 /nfs/dbraw/zinc/45/85/52/988458552.db2.gz SZZVSCQRXZYPCV-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC001599818147 988464301 /nfs/dbraw/zinc/46/43/01/988464301.db2.gz ZYRIDOLFTMCYIY-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1ccc(NC(=O)NC[C@@H]2CC[C@H](C)C2)cc1C(=O)[O-] ZINC001599818522 988470167 /nfs/dbraw/zinc/47/01/67/988470167.db2.gz INXZIPGKKYVTRH-WDEREUQCSA-N -1 0 322.430 3.664 20 0 DHADRM CSc1ccc(NCc2ccc(F)nc2C)cc1C(=O)[O-] ZINC001599821042 988514072 /nfs/dbraw/zinc/51/40/72/988514072.db2.gz WUVTZLMQAPMSKC-UHFFFAOYSA-N -1 0 306.362 3.561 20 0 DHADRM CCc1ccccc1Cc1noc(Cc2ccccc2C(=O)[O-])n1 ZINC001597612297 988514287 /nfs/dbraw/zinc/51/42/87/988514287.db2.gz WMGNODQETGQOCG-UHFFFAOYSA-N -1 0 322.364 3.512 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001599821165 988515449 /nfs/dbraw/zinc/51/54/49/988515449.db2.gz LISLLENRWULPSQ-VIFPVBQESA-N -1 0 306.339 3.618 20 0 DHADRM CSc1cccc(F)c1CNCc1ccc(C(=O)[O-])cc1F ZINC001599822245 988534537 /nfs/dbraw/zinc/53/45/37/988534537.db2.gz QICGNNHEBAYTMS-UHFFFAOYSA-N -1 0 323.364 3.675 20 0 DHADRM CSc1ccccc1CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001599824280 988570371 /nfs/dbraw/zinc/57/03/71/988570371.db2.gz UQXYSDYLSIIWQV-UHFFFAOYSA-N -1 0 321.423 3.658 20 0 DHADRM CSc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C ZINC001599824640 988577225 /nfs/dbraw/zinc/57/72/25/988577225.db2.gz IUIJUXBOOMMQQQ-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CSc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccsc1 ZINC001599826296 988603578 /nfs/dbraw/zinc/60/35/78/988603578.db2.gz KNXBRPYJCDPABI-HZMBPMFUSA-N -1 0 307.440 3.947 20 0 DHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cc(Cl)ccc1C(C)(C)C ZINC001599832897 988701010 /nfs/dbraw/zinc/70/10/10/988701010.db2.gz SLJIFFIJLBXJFN-VIFPVBQESA-N -1 0 312.797 3.622 20 0 DHADRM CCc1nc(CN[C@H](CC)c2ccc(C(=O)[O-])cc2)cs1 ZINC001597670317 988767617 /nfs/dbraw/zinc/76/76/17/988767617.db2.gz XGRZMZUFQYTMCL-CQSZACIVSA-N -1 0 304.415 3.645 20 0 DHADRM CCc1nc(CS[C@H](Cc2ccc(C)cc2)C(=O)[O-])cs1 ZINC001597672902 988768655 /nfs/dbraw/zinc/76/86/55/988768655.db2.gz BKLPNEPQUWCCJY-CQSZACIVSA-N -1 0 321.467 3.943 20 0 DHADRM CCc1nc(NC(=O)c2cccc(C3CC3)c2)sc1C(=O)[O-] ZINC001597685255 988831126 /nfs/dbraw/zinc/83/11/26/988831126.db2.gz NLKVLIQLVRMXNZ-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM C[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1cc(F)ccc1F ZINC001599846621 988944004 /nfs/dbraw/zinc/94/40/04/988944004.db2.gz LTZCHYDJWPJRET-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CCc1noc(C)c1CNc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001597745522 989111961 /nfs/dbraw/zinc/11/19/61/989111961.db2.gz DKUGOMWCDNHVBT-UHFFFAOYSA-N -1 0 312.728 3.648 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(CC)c1cccc(OC)c1 ZINC001597761592 989189538 /nfs/dbraw/zinc/18/95/38/989189538.db2.gz KYVRORQDIOMLLL-UHFFFAOYSA-N -1 0 303.358 3.575 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C[C@H]1CCC[C@H](C)C1)OC ZINC001597761524 989190114 /nfs/dbraw/zinc/19/01/14/989190114.db2.gz JFXQEIHMPNLZDZ-STQMWFEESA-N -1 0 309.406 3.730 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCCc2cccc(F)c21 ZINC001597766502 989214355 /nfs/dbraw/zinc/21/43/55/989214355.db2.gz RRDFMHKAINZWLZ-UHFFFAOYSA-N -1 0 303.333 3.632 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(C)cc(OC)c1C ZINC001597767937 989227304 /nfs/dbraw/zinc/22/73/04/989227304.db2.gz XQLKLWSAYNEEBJ-UHFFFAOYSA-N -1 0 303.358 3.778 20 0 DHADRM CCc1oc(CN2C[C@H](CC)Oc3ccccc32)cc1C(=O)[O-] ZINC001597797198 989359379 /nfs/dbraw/zinc/35/93/79/989359379.db2.gz XEYIUYVIHYWZQT-LBPRGKRZSA-N -1 0 315.369 3.718 20 0 DHADRM CCc1oc(CN2CCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC001597799652 989384107 /nfs/dbraw/zinc/38/41/07/989384107.db2.gz SMNABIFQNSMRJK-UHFFFAOYSA-N -1 0 305.761 3.756 20 0 DHADRM CCc1oc2ccccc2c1-c1cc(CO[C@H](C)C(=O)[O-])on1 ZINC001597804714 989407280 /nfs/dbraw/zinc/40/72/80/989407280.db2.gz KVLQACPVGGLWBQ-SNVBAGLBSA-N -1 0 315.325 3.640 20 0 DHADRM CCc1oc(CNc2ccc(N3CCCC3)cc2)cc1C(=O)[O-] ZINC001597804647 989407376 /nfs/dbraw/zinc/40/73/76/989407376.db2.gz ICSWDVPZEWJOST-UHFFFAOYSA-N -1 0 314.385 3.753 20 0 DHADRM CCc1sc(C(=O)[O-])cc1-c1cnc(C2CCOCC2)o1 ZINC001597821195 989463204 /nfs/dbraw/zinc/46/32/04/989463204.db2.gz WGTLBKOXTVIBIV-UHFFFAOYSA-N -1 0 307.371 3.558 20 0 DHADRM CCc1occc1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001597824742 989478564 /nfs/dbraw/zinc/47/85/64/989478564.db2.gz PPNGWRZEXDEEAY-UHFFFAOYSA-N -1 0 309.321 3.946 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001599885096 989542412 /nfs/dbraw/zinc/54/24/12/989542412.db2.gz FUDPFYSWPKDJDI-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001590420072 989962716 /nfs/dbraw/zinc/96/27/16/989962716.db2.gz MJPYQXOJIXQPON-UHFFFAOYSA-N -1 0 319.382 3.876 20 0 DHADRM CC(C)(C)[C@H](Nc1cc(-c2cccc(Cl)c2)ncn1)C(=O)[O-] ZINC001590451625 990014564 /nfs/dbraw/zinc/01/45/64/990014564.db2.gz OGIYNDKQSRETIG-CQSZACIVSA-N -1 0 319.792 3.708 20 0 DHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)no1 ZINC001590461076 990026990 /nfs/dbraw/zinc/02/69/90/990026990.db2.gz NPTQRPKZCHETNS-UHFFFAOYSA-N -1 0 322.748 3.576 20 0 DHADRM CC(C)(C)c1cc(N[C@H](C(=O)[O-])C(C)(C)C)nc(C(C)(C)C)n1 ZINC001590462294 990033880 /nfs/dbraw/zinc/03/38/80/990033880.db2.gz STJWQZWTXCCVBC-CYBMUJFWSA-N -1 0 321.465 3.983 20 0 DHADRM CC(C)(C)c1ccc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590494143 990099667 /nfs/dbraw/zinc/09/96/67/990099667.db2.gz UTZFSOZMMXCNSL-OLZOCXBDSA-N -1 0 304.386 3.781 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001590494219 990100667 /nfs/dbraw/zinc/10/06/67/990100667.db2.gz RRDPAAFXNWPGGR-LUAWRHEFSA-N -1 0 313.353 3.927 20 0 DHADRM CC(C)(C)c1csc(CN[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001590532010 990142504 /nfs/dbraw/zinc/14/25/04/990142504.db2.gz BMODLLNLKGTJBG-AWEZNQCLSA-N -1 0 310.463 3.564 20 0 DHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001598008283 990170825 /nfs/dbraw/zinc/17/08/25/990170825.db2.gz TXVVDQMJAQPXNL-HOTGVXAUSA-N -1 0 317.429 3.672 20 0 DHADRM CC(C)(C)c1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)sc1C(=O)[O-] ZINC001590542423 990171622 /nfs/dbraw/zinc/17/16/22/990171622.db2.gz UXAZAARQNKRPGJ-MYJAWHEDSA-N -1 0 322.430 3.514 20 0 DHADRM CC(C)(/C=C\Cl)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001590615233 990288255 /nfs/dbraw/zinc/28/82/55/990288255.db2.gz OVLSWIPSFRFFID-ARJAWSKDSA-N -1 0 308.687 3.742 20 0 DHADRM CC(C)(/C=C/Cl)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001590615559 990290978 /nfs/dbraw/zinc/29/09/78/990290978.db2.gz XNKFFUWATUSVPL-ONEGZZNKSA-N -1 0 317.172 3.691 20 0 DHADRM CC(C)(CC(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001590616796 990293516 /nfs/dbraw/zinc/29/35/16/990293516.db2.gz NKIMJKLQXWJXFH-UHFFFAOYSA-N -1 0 323.392 3.642 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001590635045 990322555 /nfs/dbraw/zinc/32/25/55/990322555.db2.gz DHPLUKLUEKEGJE-MQMHXKEQSA-N -1 0 323.820 3.593 20 0 DHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001598057370 990325247 /nfs/dbraw/zinc/32/52/47/990325247.db2.gz WGGRYAOBQLKRED-UHFFFAOYSA-N -1 0 321.336 3.601 20 0 DHADRM CN(C(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001598062139 990336403 /nfs/dbraw/zinc/33/64/03/990336403.db2.gz RPUXHDRCNXKKMP-UHFFFAOYSA-N -1 0 321.336 3.601 20 0 DHADRM CN(C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001598061897 990336509 /nfs/dbraw/zinc/33/65/09/990336509.db2.gz PVNGUKJLJNWGNV-UHFFFAOYSA-N -1 0 309.325 3.534 20 0 DHADRM CN(C(=O)c1ccc(F)c(C(F)F)c1)c1ccccc1C(=O)[O-] ZINC001598085654 990415667 /nfs/dbraw/zinc/41/56/67/990415667.db2.gz OGJFSZCVOFZQQA-UHFFFAOYSA-N -1 0 323.270 3.738 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001590914460 990898892 /nfs/dbraw/zinc/89/88/92/990898892.db2.gz IMCFQNNMRCQBBI-MPKXVKKWSA-N -1 0 306.358 3.820 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])C1(C)C ZINC001590915501 990903267 /nfs/dbraw/zinc/90/32/67/990903267.db2.gz VGWSOVAZRKGZSC-KBPBESRZSA-N -1 0 309.450 3.573 20 0 DHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCCC(=O)[O-] ZINC001590920638 990906096 /nfs/dbraw/zinc/90/60/96/990906096.db2.gz BEDYLSOXCBXKGI-UHFFFAOYSA-N -1 0 323.820 3.890 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001590922008 990915986 /nfs/dbraw/zinc/91/59/86/990915986.db2.gz QJJJUPPZDDHJFD-OAHLLOKOSA-N -1 0 324.465 3.846 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001590921955 990916572 /nfs/dbraw/zinc/91/65/72/990916572.db2.gz OMMOEWYIXRFPPJ-ZDUSSCGKSA-N -1 0 304.390 3.950 20 0 DHADRM COc1cccc2c1CCCCN2Cc1cc(C(=O)[O-])oc1C ZINC001599690559 991061683 /nfs/dbraw/zinc/06/16/83/991061683.db2.gz JZLYQBKLDVFJCJ-UHFFFAOYSA-N -1 0 315.369 3.638 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001591061783 991503968 /nfs/dbraw/zinc/50/39/68/991503968.db2.gz NLXMTLMDEWUQGN-YJBOKZPZSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001591080026 991578135 /nfs/dbraw/zinc/57/81/35/991578135.db2.gz NGFNZUYDZMPYRD-NEPJUHHUSA-N -1 0 303.383 3.830 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001591080028 991578421 /nfs/dbraw/zinc/57/84/21/991578421.db2.gz NGFNZUYDZMPYRD-NWDGAFQWSA-N -1 0 303.383 3.830 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001591080755 991586732 /nfs/dbraw/zinc/58/67/32/991586732.db2.gz CUCZZTZWNWCNQK-CABCVRRESA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])CN(Cc1sc2ccccc2c1Cl)CC1CC1 ZINC000036885896 1015646902 /nfs/dbraw/zinc/64/69/02/1015646902.db2.gz WENZKZMFYYGCQE-UHFFFAOYSA-N -1 0 309.818 3.851 20 0 DHADRM CC(C)[C@H]1CCCCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591088880 991626210 /nfs/dbraw/zinc/62/62/10/991626210.db2.gz NZSUKZUTVFCAPT-OAHLLOKOSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C(C)C ZINC001591093121 991653089 /nfs/dbraw/zinc/65/30/89/991653089.db2.gz LFXSPEACXARASV-DZGCQCFKSA-N -1 0 322.380 3.668 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C(=O)[O-])o1 ZINC001591093920 991665375 /nfs/dbraw/zinc/66/53/75/991665375.db2.gz BMZMFGANUIVDPE-ZDUSSCGKSA-N -1 0 313.353 3.595 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2ccsc2C(=O)[O-])CC12CCCCC2 ZINC001591098499 991701168 /nfs/dbraw/zinc/70/11/68/991701168.db2.gz BJWKDQFQVJLRAT-AWEZNQCLSA-N -1 0 321.442 3.877 20 0 DHADRM CC(C)[C@H]1N(c2ncc(C(=O)[O-])cc2Cl)CC12CCCC2 ZINC001591098537 991702554 /nfs/dbraw/zinc/70/25/54/991702554.db2.gz CHOIPTSUWXEQBZ-CYBMUJFWSA-N -1 0 308.809 3.838 20 0 DHADRM COc1nc(NCc2cc3ccccc3s2)ccc1C(=O)[O-] ZINC001599731946 991721263 /nfs/dbraw/zinc/72/12/63/991721263.db2.gz NDOXCNFNBWXBHW-UHFFFAOYSA-N -1 0 314.366 3.615 20 0 DHADRM COc1nccc2c(NCc3ccc(/C=C\C(=O)[O-])o3)cccc12 ZINC001599736824 991787111 /nfs/dbraw/zinc/78/71/11/991787111.db2.gz OFSYEDAQCNYOPO-FPLPWBNLSA-N -1 0 324.336 3.546 20 0 DHADRM CC(C)C[C@@H](C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591130099 991820688 /nfs/dbraw/zinc/82/06/88/991820688.db2.gz FPMIAKKXQPKCIO-WBMJQRKESA-N -1 0 304.386 3.988 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001591134590 991840081 /nfs/dbraw/zinc/84/00/81/991840081.db2.gz VZGGUWSGTVVVSV-ZDUSSCGKSA-N -1 0 303.402 3.736 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001591138065 991852272 /nfs/dbraw/zinc/85/22/72/991852272.db2.gz OWWXFHYFXZATRN-ZIAGYGMSSA-N -1 0 307.390 3.533 20 0 DHADRM CN(CC1(c2ccccc2)CC1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598446841 991883512 /nfs/dbraw/zinc/88/35/12/991883512.db2.gz JORCFQWOBTUIPG-UHFFFAOYSA-N -1 0 322.817 3.663 20 0 DHADRM CC(C)C[C@@H](CNC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-] ZINC001591146693 991884090 /nfs/dbraw/zinc/88/40/90/991884090.db2.gz LTCMXWSORCNYKY-AWEZNQCLSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccs1 ZINC001591178671 991977233 /nfs/dbraw/zinc/97/72/33/991977233.db2.gz SLZDXIKLLQWNRG-ZFWWWQNUSA-N -1 0 304.415 3.646 20 0 DHADRM CN(C/C=C/Cl)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598467806 991979375 /nfs/dbraw/zinc/97/93/75/991979375.db2.gz CLNYREAGPAHOAP-ZXCPCRMDSA-N -1 0 308.592 3.803 20 0 DHADRM CC(C)CC1(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)CCC1 ZINC001591191777 992004793 /nfs/dbraw/zinc/00/47/93/992004793.db2.gz GDRFAJAVKQRAHF-UHFFFAOYSA-N -1 0 310.781 3.588 20 0 DHADRM CC(C)CC1(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)CCC1 ZINC001591191810 992005796 /nfs/dbraw/zinc/00/57/96/992005796.db2.gz HOIVTSVEFRUJFB-UHFFFAOYSA-N -1 0 319.401 3.573 20 0 DHADRM C[C@@H](OCC(F)(F)F)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000896606183 1015675785 /nfs/dbraw/zinc/67/57/85/1015675785.db2.gz HKNBGBXFCGQKJI-ZCFIWIBFSA-N -1 0 322.670 3.736 20 0 DHADRM CN(CCC1CCCCC1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598471843 992037773 /nfs/dbraw/zinc/03/77/73/992037773.db2.gz DCHWANKSNXGMMS-UHFFFAOYSA-N -1 0 324.465 3.633 20 0 DHADRM CC(C)C[C@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591207054 992037910 /nfs/dbraw/zinc/03/79/10/992037910.db2.gz CBAHCMUSGUWPSE-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001591227171 992098374 /nfs/dbraw/zinc/09/83/74/992098374.db2.gz DSIYMMJFKDQXPV-OCCSQVGLSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591228043 992101492 /nfs/dbraw/zinc/10/14/92/992101492.db2.gz NPHFHRMIMFXEFZ-YHUYYLMFSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591228041 992101723 /nfs/dbraw/zinc/10/17/23/992101723.db2.gz NPHFHRMIMFXEFZ-QKPAOTATSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001591228382 992103700 /nfs/dbraw/zinc/10/37/00/992103700.db2.gz FMSJQNIIMVZAPC-DLBZAZTESA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)CCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001591229012 992107696 /nfs/dbraw/zinc/10/76/96/992107696.db2.gz KUDTYUQEGNABIO-UHFFFAOYSA-N -1 0 312.435 3.904 20 0 DHADRM CC(C)CCCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591229840 992114667 /nfs/dbraw/zinc/11/46/67/992114667.db2.gz WSVGRQPRYGALLO-UHFFFAOYSA-N -1 0 300.358 3.698 20 0 DHADRM CC(C)CCCCCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001591236555 992117622 /nfs/dbraw/zinc/11/76/22/992117622.db2.gz KPBWVKJRROZJKG-UHFFFAOYSA-N -1 0 303.402 3.880 20 0 DHADRM CC(C)CCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001591237074 992122003 /nfs/dbraw/zinc/12/20/03/992122003.db2.gz XJMJIAXBLCAEAX-QGZVFWFLSA-N -1 0 305.418 3.877 20 0 DHADRM CC(C)CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCC1 ZINC001591240576 992131687 /nfs/dbraw/zinc/13/16/87/992131687.db2.gz XMMIOXNZNBWPIS-UHFFFAOYSA-N -1 0 321.392 3.955 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)sc1C ZINC000773370998 1033653824 /nfs/dbraw/zinc/65/38/24/1033653824.db2.gz SYIZMXGTECLRRQ-UHFFFAOYSA-N -1 0 324.471 3.540 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591269864 992186778 /nfs/dbraw/zinc/18/67/78/992186778.db2.gz KOJACKFLFLSTMB-UHFFFAOYSA-N -1 0 300.358 3.554 20 0 DHADRM CC(C)CCn1ccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001591276915 992200886 /nfs/dbraw/zinc/20/08/86/992200886.db2.gz OPSRVXVUGHQYMS-OAHLLOKOSA-N -1 0 321.808 3.820 20 0 DHADRM CC(C)CCn1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)n1 ZINC001591277206 992202006 /nfs/dbraw/zinc/20/20/06/992202006.db2.gz TWHOWRYHBZPQSZ-LLVKDONJSA-N -1 0 307.419 3.862 20 0 DHADRM CC(C)CN(C(=O)C[C@@H]1CCCCC1(C)C)C(C)(C)C(=O)[O-] ZINC001591281185 992212919 /nfs/dbraw/zinc/21/29/19/992212919.db2.gz KASMSWBIRBZDNI-AWEZNQCLSA-N -1 0 311.466 3.941 20 0 DHADRM CC(C)CN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(C)(C)C(=O)[O-] ZINC001591281506 992215602 /nfs/dbraw/zinc/21/56/02/992215602.db2.gz QGMWDBJQVSQFBM-HRCADAONSA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)CN(C(=O)C[C@H](C)c1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC001591281495 992215800 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CS[C@@H](C)CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001599782413 992382448 /nfs/dbraw/zinc/38/24/48/992382448.db2.gz AZUWBNHRJLOAIS-QMMMGPOBSA-N -1 0 301.795 3.508 20 0 DHADRM CC(C)COC[C@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccco1 ZINC001591390818 992445898 /nfs/dbraw/zinc/44/58/98/992445898.db2.gz LYJJMNIBCPKWHP-STQMWFEESA-N -1 0 321.373 3.635 20 0 DHADRM CC(C)CON(CC1CCCCC1)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591396962 992463785 /nfs/dbraw/zinc/46/37/85/992463785.db2.gz DQHOXIVTXDVCJL-ZDUSSCGKSA-N -1 0 324.421 3.904 20 0 DHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc(C(F)(F)F)c2)c1 ZINC000022728210 1015709635 /nfs/dbraw/zinc/70/96/35/1015709635.db2.gz VXJXJMWGRLOXBI-DJKKODMXSA-N -1 0 324.258 3.938 20 0 DHADRM CC(C)COc1ccccc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC001591410121 992487366 /nfs/dbraw/zinc/48/73/66/992487366.db2.gz SAYIJTWPXFASFV-MRXNPFEDSA-N -1 0 319.426 3.698 20 0 DHADRM CC(C)CSCCNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591423248 992508160 /nfs/dbraw/zinc/50/81/60/992508160.db2.gz 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ZINC001591543884 992729669 /nfs/dbraw/zinc/72/96/69/992729669.db2.gz VVWFOWFWKAGALT-UHFFFAOYSA-N -1 0 321.442 3.657 20 0 DHADRM COc1ccc(F)cc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001599583968 993588677 /nfs/dbraw/zinc/58/86/77/993588677.db2.gz AOIRKEXPNJPROF-UHFFFAOYSA-N -1 0 309.724 3.798 20 0 DHADRM CCCc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000320377558 1015794329 /nfs/dbraw/zinc/79/43/29/1015794329.db2.gz KIRFFLJRBGAFJD-HNNXBMFYSA-N -1 0 318.417 3.890 20 0 DHADRM COc1ccc(NC(=O)/C=C\C2CCCCCC2)c(C(=O)[O-])c1 ZINC001599589623 993660760 /nfs/dbraw/zinc/66/07/60/993660760.db2.gz HHDCYQZSPHDLCL-FLIBITNWSA-N -1 0 317.385 3.859 20 0 DHADRM COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001599596182 993750832 /nfs/dbraw/zinc/75/08/32/993750832.db2.gz CBHDDVOEAZECST-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM COc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597394 993766427 /nfs/dbraw/zinc/76/64/27/993766427.db2.gz MBMJRVVXTHVUIL-UONOGXRCSA-N -1 0 321.417 3.929 20 0 DHADRM COc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1SC ZINC001599599064 993789029 /nfs/dbraw/zinc/78/90/29/993789029.db2.gz CSXBOOZZYGIKSH-SNVBAGLBSA-N -1 0 318.398 3.683 20 0 DHADRM COc1ccc2c(c1)N(Cc1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC001599629772 994199602 /nfs/dbraw/zinc/19/96/02/994199602.db2.gz KKGQLUKJCIKMAG-UHFFFAOYSA-N -1 0 311.381 3.655 20 0 DHADRM C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1nc(C(=O)[O-])co1 ZINC001593207332 994216421 /nfs/dbraw/zinc/21/64/21/994216421.db2.gz CIGRSQNZIPRZQK-ABAIWWIYSA-N -1 0 300.358 3.565 20 0 DHADRM COc1ccc2cc(CNc3ccc(C(=O)[O-])c(C)n3)ccc2c1 ZINC001599634324 994263747 /nfs/dbraw/zinc/26/37/47/994263747.db2.gz JCKNXYNBZYOAIT-UHFFFAOYSA-N -1 0 322.364 3.862 20 0 DHADRM COc1ccc2oc(CN3CCc4cc(C(=O)[O-])ccc43)cc2c1 ZINC001599637743 994313020 /nfs/dbraw/zinc/31/30/20/994313020.db2.gz TZWGFEQJYJYILA-UHFFFAOYSA-N -1 0 323.348 3.702 20 0 DHADRM C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC001593221327 994323917 /nfs/dbraw/zinc/32/39/17/994323917.db2.gz 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ZINC001599660912 994654803 /nfs/dbraw/zinc/65/48/03/994654803.db2.gz IOCPRTOKOJCTRI-INIZCTEOSA-N -1 0 313.378 3.840 20 0 DHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001593295757 994692159 /nfs/dbraw/zinc/69/21/59/994692159.db2.gz HIXNBTPVOSOCKF-JTQLQIEISA-N -1 0 314.316 3.516 20 0 DHADRM C[C@H](NCc1ccsc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593310696 994773905 /nfs/dbraw/zinc/77/39/05/994773905.db2.gz JPZJQNZJKJLJFW-ZETCQYMHSA-N -1 0 319.304 3.909 20 0 DHADRM CC1(C)CCC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000277127229 1015897568 /nfs/dbraw/zinc/89/75/68/1015897568.db2.gz PBAWRVDLPHQFOO-MRVPVSSYSA-N -1 0 301.308 3.508 20 0 DHADRM COc1cccc(CSCc2c(OC)cccc2C(=O)[O-])c1 ZINC001599675948 994897019 /nfs/dbraw/zinc/89/70/19/994897019.db2.gz BZGALDUTHBWDCT-UHFFFAOYSA-N -1 0 318.394 3.835 20 0 DHADRM COc1cccc(CSCc2cc(C(=O)[O-])ccc2F)c1 ZINC001599677363 994919939 /nfs/dbraw/zinc/91/99/39/994919939.db2.gz XTBZSZQGMWNATO-UHFFFAOYSA-N -1 0 306.358 3.966 20 0 DHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC001593367916 995060400 /nfs/dbraw/zinc/06/04/00/995060400.db2.gz SCHMVQAHPDZRSW-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](O)c1cc(NCc2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC001593471049 995399588 /nfs/dbraw/zinc/39/95/88/995399588.db2.gz DUWQGLRCQLTWEC-VIFPVBQESA-N -1 0 323.751 3.843 20 0 DHADRM C[C@H](OC(=O)C(C)(C)CC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC001593485238 995446740 /nfs/dbraw/zinc/44/67/40/995446740.db2.gz OUGXSKDSQOFCLA-QMMMGPOBSA-N -1 0 302.729 3.584 20 0 DHADRM C[C@H](OC(=O)CCc1cccc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593528323 995576405 /nfs/dbraw/zinc/57/64/05/995576405.db2.gz VCPULJUHURLXIE-JTQLQIEISA-N -1 0 322.744 3.868 20 0 DHADRM C[C@H](OC(=O)Cc1cccc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593537882 995606003 /nfs/dbraw/zinc/60/60/03/995606003.db2.gz ZMVNANPVLXUWKC-LBPRGKRZSA-N -1 0 324.332 3.978 20 0 DHADRM C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1cc(C(=O)[O-])co1 ZINC001593565010 995658457 /nfs/dbraw/zinc/65/84/57/995658457.db2.gz 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ZINC001599287609 997007965 /nfs/dbraw/zinc/00/79/65/997007965.db2.gz AWQWJNOVYJGQAL-AWEZNQCLSA-N -1 0 313.397 3.883 20 0 DHADRM COc1cc(C)c(C)cc1N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599390902 997032919 /nfs/dbraw/zinc/03/29/19/997032919.db2.gz UBKZORSCUXZGKV-LBPRGKRZSA-N -1 0 300.358 3.578 20 0 DHADRM COCc1cc(NC/C=C/c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001599289934 997046970 /nfs/dbraw/zinc/04/69/70/997046970.db2.gz RUCRENHCZVXJSN-NSCUHMNNSA-N -1 0 315.344 3.796 20 0 DHADRM COc1cc(C)cc(NCc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001599393745 997085992 /nfs/dbraw/zinc/08/59/92/997085992.db2.gz HECBUFSAGKLPKN-UHFFFAOYSA-N -1 0 303.333 3.761 20 0 DHADRM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1F ZINC001599499814 997095654 /nfs/dbraw/zinc/09/56/54/997095654.db2.gz CNXWKVYFRIMUIJ-JTQLQIEISA-N -1 0 321.323 3.522 20 0 DHADRM COCc1ccc(NCCC(C)(C)C(=O)[O-])cc1C(F)(F)F ZINC001599294703 997119759 /nfs/dbraw/zinc/11/97/59/997119759.db2.gz JOBUWGQCTQNOLZ-UHFFFAOYSA-N -1 0 319.323 3.765 20 0 DHADRM 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COC(=O)c1c(F)ccc(Nc2ccc(C(=O)[O-])c(C)c2)c1F ZINC001211658754 1023277396 /nfs/dbraw/zinc/27/73/96/1023277396.db2.gz YKBCCYNDZJYBGD-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000047215601 1023284566 /nfs/dbraw/zinc/28/45/66/1023284566.db2.gz WGCKNVYNBGCZIA-UHFFFAOYSA-N -1 0 313.378 3.649 20 0 DHADRM CC(C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)=C1CCCC1 ZINC000162798322 1023286664 /nfs/dbraw/zinc/28/66/64/1023286664.db2.gz GKPPLZMZOCFVNJ-UHFFFAOYSA-N -1 0 321.442 3.505 20 0 DHADRM CCCC1CCC(N(C)C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000659165629 1023303461 /nfs/dbraw/zinc/30/34/61/1023303461.db2.gz GVDNRZCERIOWDY-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM O=C(COC1CCCCC1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770452408 1023312886 /nfs/dbraw/zinc/31/28/86/1023312886.db2.gz OBXBACDFCYGTOI-UHFFFAOYSA-N -1 0 318.200 3.987 20 0 DHADRM CC(=O)c1cc(Nc2ccc(C(=O)[O-])c(C)c2)cc(C(C)=O)c1 ZINC001211660588 1023330100 /nfs/dbraw/zinc/33/01/00/1023330100.db2.gz 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CCCCOc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000031979586 1023811715 /nfs/dbraw/zinc/81/17/15/1023811715.db2.gz FGYXIEQQZDUWKE-KGLIPLIRSA-N -1 0 319.401 3.695 20 0 DHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@@H]1c1ccccn1 ZINC000538743487 1033163543 /nfs/dbraw/zinc/16/35/43/1033163543.db2.gz IHQYCMSLTXBKMC-GOSISDBHSA-N -1 0 318.376 3.918 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(Cl)cc2F)CCCCCC1 ZINC000663067967 1023814554 /nfs/dbraw/zinc/81/45/54/1023814554.db2.gz TZEINVYYQDCWES-UHFFFAOYSA-N -1 0 313.756 3.843 20 0 DHADRM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])cc(F)cc1F ZINC000049447084 1023852220 /nfs/dbraw/zinc/85/22/20/1023852220.db2.gz KHTWYUVOYCVMEP-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM CCCCC[C@@H](NC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000788316952 1023873649 /nfs/dbraw/zinc/87/36/49/1023873649.db2.gz DDVZCMAYTNNPFB-OAHLLOKOSA-N -1 0 306.406 3.965 20 0 DHADRM Cn1ccc2cccc(NC(=O)c3c([O-])cccc3Cl)c21 ZINC000788553751 1023904351 /nfs/dbraw/zinc/90/43/51/1023904351.db2.gz MJRQVRJGQHADIG-UHFFFAOYSA-N -1 0 300.745 3.790 20 0 DHADRM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1cccs1 ZINC000028259903 1023958498 /nfs/dbraw/zinc/95/84/98/1023958498.db2.gz INJWSQARFKPFMM-UHFFFAOYSA-N -1 0 323.439 3.870 20 0 DHADRM O=C([O-])C1CCC(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000194431026 1024004932 /nfs/dbraw/zinc/00/49/32/1024004932.db2.gz GLTIIZWCMSGCJJ-JCYILVPMSA-N -1 0 315.413 3.535 20 0 DHADRM C[C@@]1(F)CCCN(C(=O)c2c(O)cnc3ccc(Cl)cc32)C1 ZINC000452209532 1024013296 /nfs/dbraw/zinc/01/32/96/1024013296.db2.gz SAUDPCXQBZLUJD-MRXNPFEDSA-N -1 0 322.767 3.558 20 0 DHADRM O=C([N-][C@H](c1cccc(Cl)c1)C(F)F)C(F)C(F)(F)F ZINC000882728595 1024112191 /nfs/dbraw/zinc/11/21/91/1024112191.db2.gz CFEBRUDEMOQESS-SFYZADRCSA-N -1 0 319.632 3.663 20 0 DHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(Cl)s1 ZINC000882771193 1024129564 /nfs/dbraw/zinc/12/95/64/1024129564.db2.gz RRSFBSCCEHMOFX-UHFFFAOYSA-N -1 0 320.848 3.536 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1O ZINC000130162563 1024136599 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O=C([O-])c1sc2ccsc2c1CNC(=O)C[C@@H]1C=CCC1 ZINC000531751904 1024313095 /nfs/dbraw/zinc/31/30/95/1024313095.db2.gz SCLMGBZGYARFQZ-SECBINFHSA-N -1 0 321.423 3.634 20 0 DHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000007052809 1024340144 /nfs/dbraw/zinc/34/01/44/1024340144.db2.gz KLNDRDDODLPCGG-UHFFFAOYSA-N -1 0 319.426 3.893 20 0 DHADRM O=C(c1cc2ccccc2cc1O)N(CC(F)(F)F)C1CC1 ZINC000314706266 1024352425 /nfs/dbraw/zinc/35/24/25/1024352425.db2.gz SIEOEPQHSSGOMC-UHFFFAOYSA-N -1 0 309.287 3.712 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000653331173 1024370893 /nfs/dbraw/zinc/37/08/93/1024370893.db2.gz NWBUXQPVWSMWDS-GFOFROLCSA-N -1 0 315.413 3.632 20 0 DHADRM CC(C)N(Cc1ccco1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000271136694 1024460275 /nfs/dbraw/zinc/46/02/75/1024460275.db2.gz ODFVMEWTYPBURR-UHFFFAOYSA-N -1 0 311.740 3.829 20 0 DHADRM CCO[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000772770774 1024462369 /nfs/dbraw/zinc/46/23/69/1024462369.db2.gz 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Cc1cc(C)cc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000324712610 1024724104 /nfs/dbraw/zinc/72/41/04/1024724104.db2.gz CZDQUKNYVPARBS-KRWDZBQOSA-N -1 0 324.380 3.519 20 0 DHADRM COc1ccc2c(c1)C[C@@H](Nc1ccccc1/C=C/C(=O)[O-])CC2 ZINC001170415428 1024775242 /nfs/dbraw/zinc/77/52/42/1024775242.db2.gz YZIYIZPTOGBXMM-YRYLYKBFSA-N -1 0 323.392 3.762 20 0 DHADRM O=C(Nc1ccc(F)c(F)c1[O-])Nc1cc(F)ccc1F ZINC001202658574 1024786892 /nfs/dbraw/zinc/78/68/92/1024786892.db2.gz KKCLSFCTHSQZGX-UHFFFAOYSA-N -1 0 300.211 3.593 20 0 DHADRM O=C([O-])c1c(F)cc(Nc2ccc3c(c2)CCC3=O)cc1F ZINC001203328071 1024816186 /nfs/dbraw/zinc/81/61/86/1024816186.db2.gz OQQWLKZRXJQBBU-UHFFFAOYSA-N -1 0 303.264 3.536 20 0 DHADRM CCC(CC)(CC)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000391012401 1024863534 /nfs/dbraw/zinc/86/35/34/1024863534.db2.gz XMFUZDUIBUDFGE-GOSISDBHSA-N -1 0 319.445 3.752 20 0 DHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000054422962 1024880350 /nfs/dbraw/zinc/88/03/50/1024880350.db2.gz 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1025130816 /nfs/dbraw/zinc/13/08/16/1025130816.db2.gz JSQMAEWZHAQCRD-FPYGCLRLSA-N -1 0 319.719 3.829 20 0 DHADRM CCCCSCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747159165 1025190429 /nfs/dbraw/zinc/19/04/29/1025190429.db2.gz UQCREEKSQAUWDF-UHFFFAOYSA-N -1 0 321.364 3.787 20 0 DHADRM CC(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535809 1025239995 /nfs/dbraw/zinc/23/99/95/1025239995.db2.gz UZLJVKJQBDLWQT-NSHDSACASA-N -1 0 319.188 3.614 20 0 DHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H]1CCC(C)(C)C1 ZINC000794268680 1025246225 /nfs/dbraw/zinc/24/62/25/1025246225.db2.gz BNOHLMAQENTPFX-NSHDSACASA-N -1 0 304.415 3.767 20 0 DHADRM O=C([N-]OC/C=C/Cl)C1(c2cccc(F)c2)CCCCC1 ZINC000794289793 1025249601 /nfs/dbraw/zinc/24/96/01/1025249601.db2.gz HHQJIACLTIJXPB-BJMVGYQFSA-N -1 0 311.784 3.828 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000353888513 1025282919 /nfs/dbraw/zinc/28/29/19/1025282919.db2.gz LGPSMXVZPVJNBO-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM CSc1ccc(O)c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000614025969 1025314845 /nfs/dbraw/zinc/31/48/45/1025314845.db2.gz CQUWDVHFBZEBDQ-VIFPVBQESA-N -1 0 319.348 3.529 20 0 DHADRM O=C(Nc1c(O)cccc1F)c1ccc(OC(F)F)c(F)c1 ZINC000645926883 1025315729 /nfs/dbraw/zinc/31/57/29/1025315729.db2.gz GSXNMBWHEFIFBB-UHFFFAOYSA-N -1 0 315.222 3.524 20 0 DHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000325409445 1025372439 /nfs/dbraw/zinc/37/24/39/1025372439.db2.gz JYEXCVFLUXGYRE-RDJZCZTQSA-N -1 0 323.392 3.785 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000236706684 1025419568 /nfs/dbraw/zinc/41/95/68/1025419568.db2.gz QKFMWNULVYPGRQ-GOSISDBHSA-N -1 0 316.401 3.711 20 0 DHADRM CCCCCC[C@](C)(NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000236725976 1025421666 /nfs/dbraw/zinc/42/16/66/1025421666.db2.gz ANZYVRDFOJVMTM-UGSOOPFHSA-N -1 0 323.408 3.859 20 0 DHADRM CCC[C@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000137052525 1025496789 /nfs/dbraw/zinc/49/67/89/1025496789.db2.gz ATKNPDIJTAYGJH-NSHDSACASA-N -1 0 304.415 3.769 20 0 DHADRM Cc1cccc([C@H](NCc2ccsc2Cl)C(=O)[O-])c1C ZINC000426735138 1025525282 /nfs/dbraw/zinc/52/52/82/1025525282.db2.gz RYGDHKPIVSMUOW-ZDUSSCGKSA-N -1 0 309.818 3.934 20 0 DHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 ZINC000747232716 1025545877 /nfs/dbraw/zinc/54/58/77/1025545877.db2.gz AEELHXNRXSLRND-GFCCVEGCSA-N -1 0 322.430 3.814 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](F)Cc1ccccc1 ZINC000805257265 1025567587 /nfs/dbraw/zinc/56/75/87/1025567587.db2.gz WDDLDSJBVHRHSA-LBPRGKRZSA-N -1 0 311.715 3.704 20 0 DHADRM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(O)c1C ZINC000805255445 1025567694 /nfs/dbraw/zinc/56/76/94/1025567694.db2.gz QPJZTVREFDJBNA-UHFFFAOYSA-N -1 0 309.724 3.759 20 0 DHADRM CCCCc1nnc([N-]C(=O)c2cc([C@@H](C)CC)no2)s1 ZINC000129712379 1025631479 /nfs/dbraw/zinc/63/14/79/1025631479.db2.gz LCVZFJYTMJRWRN-VIFPVBQESA-N -1 0 308.407 3.635 20 0 DHADRM CO[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C1CCCCC1 ZINC000614828967 1025713377 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COc1cc(Cl)nc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211963160 1025852022 /nfs/dbraw/zinc/85/20/22/1025852022.db2.gz ZVEFOHFYUZOJBG-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2cnnc(Cl)c2Cl)c1 ZINC001211962903 1025852803 /nfs/dbraw/zinc/85/28/03/1025852803.db2.gz RNFJZLGABHOYFG-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM COCOc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211966864 1025894297 /nfs/dbraw/zinc/89/42/97/1025894297.db2.gz PJBIDGMUFYRPMP-UHFFFAOYSA-N -1 0 307.733 3.765 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000061835730 1025907813 /nfs/dbraw/zinc/90/78/13/1025907813.db2.gz SEZKBNIQXKIFLB-ZETCQYMHSA-N -1 0 323.698 3.798 20 0 DHADRM CCOC(=O)c1cccc(S[C@@H](C)c2nc(C)cc(=O)[nH]2)c1 ZINC000357069217 1026302569 /nfs/dbraw/zinc/30/25/69/1026302569.db2.gz LZGQXIXATRFLNB-NSHDSACASA-N -1 0 318.398 3.521 20 0 DHADRM CCC(CC)(NC(=O)/C=C(\C)c1ccccc1Cl)C(=O)[O-] ZINC000808519578 1026318181 /nfs/dbraw/zinc/31/81/81/1026318181.db2.gz 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1026531809 /nfs/dbraw/zinc/53/18/09/1026531809.db2.gz NUAKYFFJFZKNJJ-FZKQIMNGSA-N -1 0 323.392 3.970 20 0 DHADRM CC(F)(F)c1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000263030993 1026536176 /nfs/dbraw/zinc/53/61/76/1026536176.db2.gz QVXZRWVTBYNNGF-UHFFFAOYSA-N -1 0 311.328 3.628 20 0 DHADRM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000280109382 1026594718 /nfs/dbraw/zinc/59/47/18/1026594718.db2.gz ASIWAFYNLFBDFI-SFYZADRCSA-N -1 0 316.184 3.643 20 0 DHADRM CCC(=O)c1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203332945 1026666318 /nfs/dbraw/zinc/66/63/18/1026666318.db2.gz UWNWKFBCVSWERR-UHFFFAOYSA-N -1 0 305.280 3.999 20 0 DHADRM CCOC(=O)c1cnc(-c2cc(F)c([O-])c(Cl)c2)c(C)c1 ZINC001244501208 1026668551 /nfs/dbraw/zinc/66/85/51/1026668551.db2.gz SEKOPWHQWAXOFD-UHFFFAOYSA-N -1 0 309.724 3.732 20 0 DHADRM Cc1ccc(S(C)(=O)=O)cc1-c1cc(F)c([O-])c(Cl)c1 ZINC001244502767 1026674160 /nfs/dbraw/zinc/67/41/60/1026674160.db2.gz UDGDSWVDMHDWFD-UHFFFAOYSA-N -1 0 314.765 3.564 20 0 DHADRM 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1027289743 /nfs/dbraw/zinc/28/97/43/1027289743.db2.gz GGWYJWSZTHSFOB-UHFFFAOYSA-N -1 0 322.846 3.657 20 0 DHADRM CCS[C@H](C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)C(C)C ZINC000362632537 1027318540 /nfs/dbraw/zinc/31/85/40/1027318540.db2.gz DPYWUMLZQPQHCS-AWEZNQCLSA-N -1 0 309.431 3.718 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000574016311 1027351698 /nfs/dbraw/zinc/35/16/98/1027351698.db2.gz HDKMAMJHXFZSQU-BLVKFPJESA-N -1 0 323.241 3.741 20 0 DHADRM CN(C(=O)Nc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000574589640 1027403940 /nfs/dbraw/zinc/40/39/40/1027403940.db2.gz RIJVTGLYARXVIC-CQSZACIVSA-N -1 0 318.760 3.630 20 0 DHADRM O=C(CSCc1ccc(Cl)cc1Cl)[N-]OC1CCC1 ZINC000812791070 1027407253 /nfs/dbraw/zinc/40/72/53/1027407253.db2.gz ODZJXJNTCNDHMR-UHFFFAOYSA-N -1 0 320.241 3.827 20 0 DHADRM CCCN(C(=O)Nc1cccc(C(C)C)c1)[C@H](CC)C(=O)[O-] ZINC000562463951 1027448831 /nfs/dbraw/zinc/44/88/31/1027448831.db2.gz KFMSFJZZWINBQL-OAHLLOKOSA-N -1 0 306.406 3.917 20 0 DHADRM CC(C)(CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000562532928 1027487687 /nfs/dbraw/zinc/48/76/87/1027487687.db2.gz DHONPWCQNAGWJV-UHFFFAOYSA-N -1 0 323.820 3.547 20 0 DHADRM C[C@H]1CCN(c2ccnc3cc(F)c(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC000575748309 1027495208 /nfs/dbraw/zinc/49/52/08/1027495208.db2.gz BLUQVDMWSFEIKK-ONGXEEELSA-N -1 0 322.767 3.574 20 0 DHADRM C[C@@H]1CCN(c2ccnc3cc(F)c(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC000575748306 1027496714 /nfs/dbraw/zinc/49/67/14/1027496714.db2.gz BLUQVDMWSFEIKK-KOLCDFICSA-N -1 0 322.767 3.574 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)ccc1F ZINC000158398205 1027509542 /nfs/dbraw/zinc/50/95/42/1027509542.db2.gz QQMMUTDXJVFYFR-UHFFFAOYSA-N -1 0 306.293 3.647 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000575925307 1027529534 /nfs/dbraw/zinc/52/95/34/1027529534.db2.gz JVUDLRBRIXFVBY-YMTOWFKASA-N -1 0 311.809 3.576 20 0 DHADRM CC(C)C1CCC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000576111062 1027564683 /nfs/dbraw/zinc/56/46/83/1027564683.db2.gz JIYPBKFAUPTPEY-UHFFFAOYSA-N -1 0 309.450 3.599 20 0 DHADRM CC(Cl)(Cl)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159233300 1027767001 /nfs/dbraw/zinc/76/70/01/1027767001.db2.gz ZWCYOINFFIVDLG-UHFFFAOYSA-N -1 0 302.972 3.831 20 0 DHADRM Cc1cc2cc(NC(=O)CCc3ccccc3C(=O)[O-])ccc2[nH]1 ZINC000347346042 1027767487 /nfs/dbraw/zinc/76/74/87/1027767487.db2.gz KZFJAWIRIBGTCI-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC000814017058 1027815720 /nfs/dbraw/zinc/81/57/20/1027815720.db2.gz SHBFJJVKZCDTEN-INIZCTEOSA-N -1 0 323.458 3.554 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000600871022 1027879029 /nfs/dbraw/zinc/87/90/29/1027879029.db2.gz ARLDJYBCUVRLTD-TUKIKUTGSA-N -1 0 321.442 3.735 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)c([O-])c1)C(F)(F)F ZINC001448554066 1027897753 /nfs/dbraw/zinc/89/77/53/1027897753.db2.gz TZBXNKPLTRQSMJ-HQJQHLMTSA-N -1 0 309.715 3.752 20 0 DHADRM CC[C@@H](N=c1nc(-c2ccccc2C)[n-]s1)c1nccs1 ZINC000527899310 1027947247 /nfs/dbraw/zinc/94/72/47/1027947247.db2.gz JCWVAXGSVLEDDL-GFCCVEGCSA-N -1 0 316.455 3.955 20 0 DHADRM Cc1cnc([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)s1 ZINC000527917692 1027970342 /nfs/dbraw/zinc/97/03/42/1027970342.db2.gz YMBGRASKDIYMSN-NSHDSACASA-N -1 0 316.455 3.873 20 0 DHADRM COc1cccc(-c2ccc(C[C@H](C)C(=O)[O-])cc2)c1OC ZINC000563550409 1028106466 /nfs/dbraw/zinc/10/64/66/1028106466.db2.gz REGJCAUERPUHLM-LBPRGKRZSA-N -1 0 300.354 3.634 20 0 DHADRM CC1(C)COc2c1cccc2C(=O)Nc1cccc(Cl)c1[O-] ZINC000578290875 1028113726 /nfs/dbraw/zinc/11/37/26/1028113726.db2.gz HTUGRTLDOWKIFI-UHFFFAOYSA-N -1 0 317.772 3.968 20 0 DHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000934801561 1028115586 /nfs/dbraw/zinc/11/55/86/1028115586.db2.gz IPKLBLAVGSXDOU-GWCFXTLKSA-N -1 0 320.414 3.506 20 0 DHADRM CC(C)CNC(=S)Nc1ccc(Br)cc1[S-] ZINC001245254901 1028167355 /nfs/dbraw/zinc/16/73/55/1028167355.db2.gz ZHMIFLZJLKFKIM-UHFFFAOYSA-N 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NVWNJJQKOMIMOS-UHFFFAOYSA-N -1 0 321.327 3.543 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000564140675 1028321276 /nfs/dbraw/zinc/32/12/76/1028321276.db2.gz ZFLXGERRGLAWOT-AWEZNQCLSA-N -1 0 323.408 3.920 20 0 DHADRM Cc1cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)ccc1Cl ZINC000579109351 1028325338 /nfs/dbraw/zinc/32/53/38/1028325338.db2.gz RTTNMXPMTIUNDZ-SECBINFHSA-N -1 0 310.806 3.654 20 0 DHADRM CC(C)OCc1cccc(-c2ccc(CC(=O)[O-])c(O)c2)c1 ZINC000579143128 1028335002 /nfs/dbraw/zinc/33/50/02/1028335002.db2.gz PDIYWHUJDUYPLC-UHFFFAOYSA-N -1 0 300.354 3.611 20 0 DHADRM C[C@H]1CSCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000935634722 1028344237 /nfs/dbraw/zinc/34/42/37/1028344237.db2.gz NIKQZPSXMNBZBI-MRVPVSSYSA-N -1 0 320.241 3.524 20 0 DHADRM CC(C)(C(=O)[O-])C1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000579245674 1028361588 /nfs/dbraw/zinc/36/15/88/1028361588.db2.gz JWIJVLYDIUMQDC-UHFFFAOYSA-N -1 0 322.405 3.763 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000579477865 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20 0 DHADRM CCC(CC)(CC(=O)Nc1ccccc1CSC)C(=O)[O-] ZINC000183627617 1034408786 /nfs/dbraw/zinc/40/87/86/1034408786.db2.gz GYMZGLSXGQIROT-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM COc1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001174494170 1034411229 /nfs/dbraw/zinc/41/12/29/1034411229.db2.gz ARXBKLQFKMRDFM-AATRIKPKSA-N -1 0 304.733 3.585 20 0 DHADRM CCOC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174496266 1034412410 /nfs/dbraw/zinc/41/24/10/1034412410.db2.gz IOBQDONNMCGCAR-IZZDOVSWSA-N -1 0 311.337 3.705 20 0 DHADRM CC(C)NC(=O)c1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174496118 1034412420 /nfs/dbraw/zinc/41/24/20/1034412420.db2.gz CNLJEPUALZLAGD-MDZDMXLPSA-N -1 0 324.380 3.666 20 0 DHADRM COc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Cl)n1 ZINC001174495474 1034412425 /nfs/dbraw/zinc/41/24/25/1034412425.db2.gz RPJUGWYLTJCGIB-VMPITWQZSA-N -1 0 304.733 3.585 20 0 DHADRM CC(=O)Nc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1C ZINC001174496687 1034415232 /nfs/dbraw/zinc/41/52/32/1034415232.db2.gz SELSOTYQIPKXON-VQHVLOKHSA-N -1 0 310.353 3.795 20 0 DHADRM Fc1cccc([C@H]2CC[C@@H](N=c3nc(C4CC4)[n-]s3)C2)c1 ZINC000480784769 1034444539 /nfs/dbraw/zinc/44/45/39/1034444539.db2.gz IATNOIPCEOPLMV-GXTWGEPZSA-N -1 0 303.406 3.725 20 0 DHADRM COc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)ccc1O ZINC001174540883 1034457204 /nfs/dbraw/zinc/45/72/04/1034457204.db2.gz IVJBXXKEADBZIH-UHFFFAOYSA-N -1 0 319.119 3.691 20 0 DHADRM CCC[C@H](C)N(C)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864867058 1034463949 /nfs/dbraw/zinc/46/39/49/1034463949.db2.gz IABADCLEPNDFPN-QMMMGPOBSA-N -1 0 318.186 3.554 20 0 DHADRM COc1cc(Nc2ccc3[n-]c(=S)sc3c2)cnc1OC ZINC001174548301 1034502010 /nfs/dbraw/zinc/50/20/10/1034502010.db2.gz UTNHAWNZWMPFOZ-UHFFFAOYSA-N -1 0 319.411 3.741 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000184923237 1034513550 /nfs/dbraw/zinc/51/35/50/1034513550.db2.gz HIASHURUZQUCNC-CABZTGNLSA-N -1 0 313.319 3.604 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2cncc(C)c21 ZINC001174677289 1034542188 /nfs/dbraw/zinc/54/21/88/1034542188.db2.gz VHMJRYPBWDWQDO-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])cc2OC)c2ncccc12 ZINC001174676166 1034543389 /nfs/dbraw/zinc/54/33/89/1034543389.db2.gz GFWMTECEAWMCFC-UHFFFAOYSA-N -1 0 324.336 3.694 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C)c(O)c1Cl ZINC001174676257 1034543453 /nfs/dbraw/zinc/54/34/53/1034543453.db2.gz HSEWNKHYALDPCF-UHFFFAOYSA-N -1 0 307.733 3.804 20 0 DHADRM COc1cc(Nc2nc3cc(Cl)ccc3o2)ccc1C(=O)[O-] ZINC001174679279 1034544575 /nfs/dbraw/zinc/54/45/75/1034544575.db2.gz RGSUQIPOETUYGR-UHFFFAOYSA-N -1 0 318.716 3.932 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(-c2cnco2)c1 ZINC001174677901 1034545018 /nfs/dbraw/zinc/54/50/18/1034545018.db2.gz ULUCHNDZBTYEBC-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM CCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174677540 1034545216 /nfs/dbraw/zinc/54/52/16/1034545216.db2.gz MHHYHXSFVARIFZ-UHFFFAOYSA-N -1 0 305.305 3.675 20 0 DHADRM COc1cc(Nc2cc(-c3ccccc3)nn2C)ccc1C(=O)[O-] ZINC001174680803 1034547088 /nfs/dbraw/zinc/54/70/88/1034547088.db2.gz BNDDJLVQAUJXEF-UHFFFAOYSA-N -1 0 323.352 3.538 20 0 DHADRM COc1cc(Nc2cc(Cl)nc(Cl)c2)ccc1C(=O)[O-] ZINC001174681233 1034548221 /nfs/dbraw/zinc/54/82/21/1034548221.db2.gz OQXKHAQCNPMCDM-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2c(Cl)ccnc2Cl)ccc1C(=O)[O-] ZINC001174681011 1034548304 /nfs/dbraw/zinc/54/83/04/1034548304.db2.gz HZEFIUFURKOELA-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2c(Cl)cccc2C(C)=O)ccc1C(=O)[O-] ZINC001174688268 1034550239 /nfs/dbraw/zinc/55/02/39/1034550239.db2.gz SLTRESCEHHMGER-UHFFFAOYSA-N -1 0 319.744 3.993 20 0 DHADRM O=C(Nc1ccc(F)c(C(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC001174647613 1034555201 /nfs/dbraw/zinc/55/52/01/1034555201.db2.gz VGKHIPKKGKEQRB-UHFFFAOYSA-N -1 0 317.213 3.999 20 0 DHADRM CSc1ccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)cc1 ZINC000899348937 1034596116 /nfs/dbraw/zinc/59/61/16/1034596116.db2.gz PVPIBQOBZIAPST-NSHDSACASA-N -1 0 314.332 3.700 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cc(Cl)ccc1F ZINC000899357947 1034603840 /nfs/dbraw/zinc/60/38/40/1034603840.db2.gz OVHIAAMFARSISR-JTQLQIEISA-N -1 0 320.673 3.770 20 0 DHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000120516310 1034604251 /nfs/dbraw/zinc/60/42/51/1034604251.db2.gz RZAPIFVAGGYUEZ-UHFFFAOYSA-N -1 0 319.407 3.711 20 0 DHADRM CCC[C@H](O)CCCSCc1nc(=O)c2sccc2[n-]1 ZINC000865380718 1034618904 /nfs/dbraw/zinc/61/89/04/1034618904.db2.gz BNGOOWQSWNWPDV-JTQLQIEISA-N -1 0 312.460 3.571 20 0 DHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)CC(F)F ZINC000881539223 1034625806 /nfs/dbraw/zinc/62/58/06/1034625806.db2.gz NFVCBDJLCLJOAX-UHFFFAOYSA-N -1 0 309.715 3.596 20 0 DHADRM Cc1nc(C(F)(F)F)c(Nc2ccc(C(=O)[O-])s2)s1 ZINC001174804789 1034630637 /nfs/dbraw/zinc/63/06/37/1034630637.db2.gz DDQILHKFZGETKM-UHFFFAOYSA-N -1 0 308.306 3.974 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])s2)c2ncccc12 ZINC001174808622 1034632795 /nfs/dbraw/zinc/63/27/95/1034632795.db2.gz WBSZNZBAPCBQOE-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM CC(C)OC(=O)c1cccc(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174808641 1034633073 /nfs/dbraw/zinc/63/30/73/1034633073.db2.gz WKYBKNFDERBCJO-UHFFFAOYSA-N -1 0 305.355 3.755 20 0 DHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174808608 1034633615 /nfs/dbraw/zinc/63/36/15/1034633615.db2.gz VQHJVRUAUASEJD-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM Cc1cnn(-c2ccccc2C)c1Nc1ccc(C(=O)[O-])s1 ZINC001174808781 1034633696 /nfs/dbraw/zinc/63/36/96/1034633696.db2.gz XBNVDDJDSSZDJO-UHFFFAOYSA-N -1 0 313.382 3.992 20 0 DHADRM O=C([O-])c1ccc(Nc2cnc3c(C4CCC4)cnn3c2)s1 ZINC001174806794 1034633773 /nfs/dbraw/zinc/63/37/73/1034633773.db2.gz FBXJLTJQUYTZNA-UHFFFAOYSA-N -1 0 314.370 3.500 20 0 DHADRM Cc1cccc(-c2cc(Nc3ccc(C(=O)[O-])s3)n(C)n2)c1 ZINC001174808929 1034635130 /nfs/dbraw/zinc/63/51/30/1034635130.db2.gz ZOGCHLGCTKYVQB-UHFFFAOYSA-N -1 0 313.382 3.899 20 0 DHADRM COC(=O)c1cc(Cl)ccc1Nc1ccc(C(=O)[O-])s1 ZINC001174809317 1034635853 /nfs/dbraw/zinc/63/58/53/1034635853.db2.gz DUDFMHOMUXHCOK-UHFFFAOYSA-N -1 0 311.746 3.630 20 0 DHADRM COc1cc(C(C)=O)c(Nc2ccc(C(=O)[O-])s2)cc1F ZINC001174813381 1034636259 /nfs/dbraw/zinc/63/62/59/1034636259.db2.gz YZBXTFQUGBPYHJ-UHFFFAOYSA-N -1 0 309.318 3.540 20 0 DHADRM CCc1cc(Nc2ccc(CC(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001174947270 1034703542 /nfs/dbraw/zinc/70/35/42/1034703542.db2.gz IMLRKACGHJFKEK-UHFFFAOYSA-N -1 0 321.380 3.805 20 0 DHADRM CC(=O)Nc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001174953970 1034705147 /nfs/dbraw/zinc/70/51/47/1034705147.db2.gz WHWOOKWGVARGHR-UHFFFAOYSA-N -1 0 318.760 3.669 20 0 DHADRM COc1ccc2cc(Nc3ccc(CC(=O)[O-])cc3)cnc2c1 ZINC001174952409 1034705710 /nfs/dbraw/zinc/70/57/10/1034705710.db2.gz YCLDKRGBVVGBDV-UHFFFAOYSA-N -1 0 308.337 3.614 20 0 DHADRM O=C([O-])Cc1ccc(Nc2ccc(F)c(Br)c2)cc1 ZINC001174951998 1034705773 /nfs/dbraw/zinc/70/57/73/1034705773.db2.gz ISWZNNBAAQQYPP-UHFFFAOYSA-N -1 0 324.149 3.959 20 0 DHADRM Cc1nc(Cl)c(Nc2cc(C(=O)[O-])ccc2C)c(Cl)n1 ZINC001174981156 1034745105 /nfs/dbraw/zinc/74/51/05/1034745105.db2.gz INKYEWMGWHEIEI-UHFFFAOYSA-N -1 0 312.156 3.842 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1csc(Br)n1 ZINC001174980923 1034745388 /nfs/dbraw/zinc/74/53/88/1034745388.db2.gz ANIRDNYQRLOZEP-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM CSCCCCCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192469297 1034805751 /nfs/dbraw/zinc/80/57/51/1034805751.db2.gz ZVQZMYMMUUEBOK-UHFFFAOYSA-N -1 0 319.829 3.838 20 0 DHADRM Cc1cc(C(F)(F)F)ncc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154137 1034817550 /nfs/dbraw/zinc/81/75/50/1034817550.db2.gz FUEBQVOYRLRFOO-UHFFFAOYSA-N -1 0 314.238 3.990 20 0 DHADRM O=C([O-])c1ccc(Nc2cnn(Cc3ccccc3)c2)cc1F ZINC001175154483 1034817892 /nfs/dbraw/zinc/81/78/92/1034817892.db2.gz OAGXLRYDSJUPEG-UHFFFAOYSA-N -1 0 311.316 3.512 20 0 DHADRM CCOC(=O)c1c(C)csc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175155479 1034818374 /nfs/dbraw/zinc/81/83/74/1034818374.db2.gz TYWBYVIFCFRJTB-UHFFFAOYSA-N -1 0 323.345 3.814 20 0 DHADRM CCOC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001175158817 1034819602 /nfs/dbraw/zinc/81/96/02/1034819602.db2.gz XWIWPWFUOZRTSO-UHFFFAOYSA-N -1 0 317.316 3.753 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)cnc1OC(C)C ZINC001175158799 1034820421 /nfs/dbraw/zinc/82/04/21/1034820421.db2.gz RQFZLWOSAMKIOI-UHFFFAOYSA-N -1 0 304.321 3.758 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)[C@H](O)CCC3)cc1F ZINC001175160650 1034821062 /nfs/dbraw/zinc/82/10/62/1034821062.db2.gz LGLSZOAYKAGZPU-MRXNPFEDSA-N -1 0 301.317 3.637 20 0 DHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175160593 1034822099 /nfs/dbraw/zinc/82/20/99/1034822099.db2.gz KYPCGLXMLYQXQU-SNVBAGLBSA-N -1 0 317.316 3.544 20 0 DHADRM O=C([O-])c1ccc(Nc2cncc(Cl)c2Cl)cc1F ZINC001175159834 1034822441 /nfs/dbraw/zinc/82/24/41/1034822441.db2.gz AYEFIWHCZQJYSX-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM Cc1nonc1[N-]c1c(F)cc(OCc2ccccc2)cc1F ZINC001175147806 1034841300 /nfs/dbraw/zinc/84/13/00/1034841300.db2.gz YSDUHOADLSTVLW-UHFFFAOYSA-N -1 0 317.295 3.979 20 0 DHADRM CCOc1cc(C)c(Nc2cccc(S(=O)(=O)[O-])c2)c(C)c1 ZINC001175173250 1034854932 /nfs/dbraw/zinc/85/49/32/1034854932.db2.gz IAMGVIGELSPWRP-UHFFFAOYSA-N -1 0 321.398 3.692 20 0 DHADRM O=C([O-])c1cc(Nc2ccc(C(F)(F)F)cn2)ccc1F ZINC001175214907 1034869786 /nfs/dbraw/zinc/86/97/86/1034869786.db2.gz AGXAPILPHDUXPT-UHFFFAOYSA-N -1 0 300.211 3.681 20 0 DHADRM CC(=O)c1oc2cccnc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216895 1034870720 /nfs/dbraw/zinc/87/07/20/1034870720.db2.gz HHCAZHOWUPGELU-UHFFFAOYSA-N -1 0 314.272 3.611 20 0 DHADRM CCOC(=O)c1cc(C)sc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175214928 1034871669 /nfs/dbraw/zinc/87/16/69/1034871669.db2.gz BCKDEOPXLZUVAV-UHFFFAOYSA-N -1 0 323.345 3.814 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1CC ZINC000555707863 1034872777 /nfs/dbraw/zinc/87/27/77/1034872777.db2.gz WRZYSJCOPFLRAO-UHFFFAOYSA-N -1 0 319.426 3.626 20 0 DHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(CC2CCC2)n1 ZINC001175221300 1034873242 /nfs/dbraw/zinc/87/32/42/1034873242.db2.gz YDNMASKZWFUWEI-UHFFFAOYSA-N -1 0 303.337 3.573 20 0 DHADRM O=C([O-])c1cc(Nc2cccc3cncc(F)c32)ccc1F ZINC001175220804 1034873442 /nfs/dbraw/zinc/87/34/42/1034873442.db2.gz BAYDBZVVBMOODA-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM Nc1cccc(C(F)(F)F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175222121 1034873479 /nfs/dbraw/zinc/87/34/79/1034873479.db2.gz SVKSDODSZPEGGJ-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM O=C([O-])c1cc(Nc2cc(F)cc3cccnc32)ccc1F ZINC001175223291 1034874132 /nfs/dbraw/zinc/87/41/32/1034874132.db2.gz LFYKWGMKSVCULY-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM Cc1cc(C)c(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])C(C)C)c(Cl)c1 ZINC000899762818 1034886159 /nfs/dbraw/zinc/88/61/59/1034886159.db2.gz XILWJQOIBISLQB-MEDUHNTESA-N -1 0 309.793 3.642 20 0 DHADRM CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899800969 1034898212 /nfs/dbraw/zinc/89/82/12/1034898212.db2.gz IYTJRMSQAWVKST-GXTWGEPZSA-N -1 0 323.458 3.721 20 0 DHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000899809779 1034904343 /nfs/dbraw/zinc/90/43/43/1034904343.db2.gz SHDGKYDIJBEORS-HUUCEWRRSA-N -1 0 321.417 3.860 20 0 DHADRM Cc1cc2cc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)ccc2[nH]1 ZINC000899811497 1034904456 /nfs/dbraw/zinc/90/44/56/1034904456.db2.gz KWUDFTWLGQDFFW-ZDUSSCGKSA-N -1 0 302.374 3.552 20 0 DHADRM CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)c1ccc2[nH]ccc2c1 ZINC000899820290 1034912617 /nfs/dbraw/zinc/91/26/17/1034912617.db2.gz CBURZRUWVTVOJL-CQSZACIVSA-N -1 0 316.401 3.658 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(CC2CC2)n1 ZINC001175314562 1034928855 /nfs/dbraw/zinc/92/88/55/1034928855.db2.gz HMGHESUJYLTBFD-UHFFFAOYSA-N -1 0 305.765 3.697 20 0 DHADRM O=C([O-])c1ccc(Nc2cnnc(Cl)c2Cl)cc1Cl ZINC001175316114 1034928954 /nfs/dbraw/zinc/92/89/54/1034928954.db2.gz UCSODOVOGABPQT-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM Nc1ccc2nn(-c3ccc(C(=O)[O-])c(Cl)c3)c(Cl)c2c1 ZINC001175315958 1034928964 /nfs/dbraw/zinc/92/89/64/1034928964.db2.gz LVEWTDZATMBUFT-UHFFFAOYSA-N -1 0 322.151 3.613 20 0 DHADRM Cn1ncc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175316107 1034929070 /nfs/dbraw/zinc/92/90/70/1034929070.db2.gz NDJJOVUNYDJDJE-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM COc1cnc(Cl)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175314124 1034929322 /nfs/dbraw/zinc/92/93/22/1034929322.db2.gz CWLMMRWKKKCTJS-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM O=C([O-])c1ccc(Nc2cnn(CC(F)(F)F)c2)cc1Cl ZINC001175313663 1034929388 /nfs/dbraw/zinc/92/93/88/1034929388.db2.gz HRTFUNDGTZHKAE-UHFFFAOYSA-N -1 0 319.670 3.541 20 0 DHADRM CNc1ccnc(Cl)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316317 1034930665 /nfs/dbraw/zinc/93/06/65/1034930665.db2.gz KEFXDCLSGYCYHY-UHFFFAOYSA-N -1 0 312.156 3.872 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(-n3cccn3)cc2)cc1Cl ZINC001175318605 1034931031 /nfs/dbraw/zinc/93/10/31/1034931031.db2.gz ACESJJRIZKAVTJ-UHFFFAOYSA-N -1 0 313.744 3.968 20 0 DHADRM CCOc1ncc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175317006 1034931252 /nfs/dbraw/zinc/93/12/52/1034931252.db2.gz QPURMFARFGPZPW-UHFFFAOYSA-N -1 0 310.712 3.715 20 0 DHADRM CCOc1ccc(N)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320160 1034932234 /nfs/dbraw/zinc/93/22/34/1034932234.db2.gz OXXOJEWQZKFNHM-UHFFFAOYSA-N -1 0 306.749 3.763 20 0 DHADRM CC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1O ZINC001175321018 1034932493 /nfs/dbraw/zinc/93/24/93/1034932493.db2.gz XSSJGDHDJHVBIV-UHFFFAOYSA-N -1 0 305.717 3.690 20 0 DHADRM Nc1cc2nn(-c3ccc(C(=O)[O-])c(Cl)c3)cc2cc1Cl ZINC001175321743 1034933588 /nfs/dbraw/zinc/93/35/88/1034933588.db2.gz YCJKQPDNXYPOBB-UHFFFAOYSA-N -1 0 322.151 3.613 20 0 DHADRM CC(=O)Oc1ccc(F)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175321769 1034934161 /nfs/dbraw/zinc/93/41/61/1034934161.db2.gz YSWHEOUIKPNHMT-UHFFFAOYSA-N -1 0 323.707 3.846 20 0 DHADRM O=C([O-])c1cccc(Nc2ccnn2Cc2ccccc2F)c1 ZINC001175328595 1034935071 /nfs/dbraw/zinc/93/50/71/1034935071.db2.gz MHPGAYQABHWWKK-UHFFFAOYSA-N -1 0 311.316 3.512 20 0 DHADRM CCc1cc(Br)ncc1Nc1cccc(C(=O)[O-])c1 ZINC001175328601 1034935366 /nfs/dbraw/zinc/93/53/66/1034935366.db2.gz KRWXYFWREBMTHQ-UHFFFAOYSA-N -1 0 321.174 3.848 20 0 DHADRM O=C([O-])c1cccc(Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC001175328296 1034935930 /nfs/dbraw/zinc/93/59/30/1034935930.db2.gz GQJQUSZHHVWUAK-UHFFFAOYSA-N -1 0 313.744 3.968 20 0 DHADRM Cc1cc(C)n(-c2ccc(Nc3cccc(C(=O)[O-])c3)cc2)n1 ZINC001175332420 1034936686 /nfs/dbraw/zinc/93/66/86/1034936686.db2.gz RXQGKHPZROSGRB-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM CC(=O)Nc1ccc(Cl)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175329534 1034937562 /nfs/dbraw/zinc/93/75/62/1034937562.db2.gz NMMUOMUPOWKCOT-UHFFFAOYSA-N -1 0 304.733 3.740 20 0 DHADRM COc1ccc(Br)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175330610 1034937746 /nfs/dbraw/zinc/93/77/46/1034937746.db2.gz NFISHADQNYVEAS-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM COC(=O)c1c(F)ccc(Nc2cccc(C(=O)[O-])c2)c1Cl ZINC001175334165 1034938819 /nfs/dbraw/zinc/93/88/19/1034938819.db2.gz AGNKFVJRLBETIP-UHFFFAOYSA-N -1 0 323.707 3.708 20 0 DHADRM CCOc1ncc(Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001175559483 1035043027 /nfs/dbraw/zinc/04/30/27/1035043027.db2.gz BYLWJQYQMHJCIP-UHFFFAOYSA-N -1 0 304.400 3.517 20 0 DHADRM CCCc1ccc(Nc2ccc(OC)cc2S(=O)(=O)[O-])cc1 ZINC001175718076 1035090777 /nfs/dbraw/zinc/09/07/77/1035090777.db2.gz FRANBNWQCMIOTH-UHFFFAOYSA-N -1 0 321.398 3.638 20 0 DHADRM COc1cc(F)c(C(C)C)cc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001175829273 1035126399 /nfs/dbraw/zinc/12/63/99/1035126399.db2.gz FZHFPEQAAQSWBC-UHFFFAOYSA-N -1 0 315.348 3.584 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(C(F)(F)F)ccc2F)c1 ZINC001175842206 1035130552 /nfs/dbraw/zinc/13/05/52/1035130552.db2.gz UVJBJPFQYOSRRH-UHFFFAOYSA-N -1 0 300.211 3.681 20 0 DHADRM O=C([O-])c1cncc(Nc2cccc(F)c2N2CCCCC2)c1 ZINC001175842828 1035131016 /nfs/dbraw/zinc/13/10/16/1035131016.db2.gz FKXCIQOUPWSTAU-UHFFFAOYSA-N -1 0 315.348 3.653 20 0 DHADRM O=C([O-])c1cncc(Nc2ccc(OC(F)(F)Cl)cc2)c1 ZINC001175842841 1035131070 /nfs/dbraw/zinc/13/10/70/1035131070.db2.gz RCBLVWIQNQFGQO-UHFFFAOYSA-N -1 0 314.675 3.691 20 0 DHADRM CC(=O)c1ccc(C(F)(F)F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175843148 1035131077 /nfs/dbraw/zinc/13/10/77/1035131077.db2.gz ZGUKIFYLKSYYMO-UHFFFAOYSA-N -1 0 324.258 3.745 20 0 DHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)ccc1Br ZINC001175844063 1035132248 /nfs/dbraw/zinc/13/22/48/1035132248.db2.gz YVXFEAXLHHDUIJ-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CCCn1nc(C)cc1Nc1cccc(O)c1Br ZINC001175806749 1035133159 /nfs/dbraw/zinc/13/31/59/1035133159.db2.gz BNOIETSEBLZZDT-UHFFFAOYSA-N -1 0 310.195 3.813 20 0 DHADRM Cn1ccc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc21 ZINC000194481354 1035171548 /nfs/dbraw/zinc/17/15/48/1035171548.db2.gz QGTTVNUJENTKKN-UHFFFAOYSA-N -1 0 318.735 3.929 20 0 DHADRM Cc1noc(C)c1[N-]c1nc2cc(Br)ccc2o1 ZINC001176177804 1035213463 /nfs/dbraw/zinc/21/34/63/1035213463.db2.gz YCEDQFOXSZDOHH-UHFFFAOYSA-N -1 0 308.135 3.939 20 0 DHADRM COCOc1ccc(Nc2ccc([S-])c(OC)c2)cc1F ZINC001176191489 1035217376 /nfs/dbraw/zinc/21/73/76/1035217376.db2.gz YEOGDDOQXJBZDW-UHFFFAOYSA-N -1 0 309.362 3.849 20 0 DHADRM COc1ccc(COC(=O)c2ccc(O)cc2F)cc1Cl ZINC000773565481 1035234759 /nfs/dbraw/zinc/23/47/59/1035234759.db2.gz JHJUGPJAXLBTDQ-UHFFFAOYSA-N -1 0 310.708 3.550 20 0 DHADRM O=C([O-])Cn1cc(Nc2ccc(-c3ccccc3)cc2F)cn1 ZINC001176272373 1035240096 /nfs/dbraw/zinc/24/00/96/1035240096.db2.gz JGEQVNIZQVFNBK-UHFFFAOYSA-N -1 0 311.316 3.517 20 0 DHADRM CCCCCCc1ccc(Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001176267994 1035240174 /nfs/dbraw/zinc/24/01/74/1035240174.db2.gz VVGGUTITPPEWCX-UHFFFAOYSA-N -1 0 301.390 3.834 20 0 DHADRM COc1ccc(Nc2csc(C(=O)[O-])c2)c2ncccc12 ZINC001176438741 1035263998 /nfs/dbraw/zinc/26/39/98/1035263998.db2.gz BJKNSTNKVJYMIV-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM O=C([O-])c1cc(Nc2cc(C(F)(F)F)cnc2F)cs1 ZINC001176437224 1035264131 /nfs/dbraw/zinc/26/41/31/1035264131.db2.gz PZAVHBGXAPGRIY-UHFFFAOYSA-N -1 0 306.240 3.743 20 0 DHADRM CCc1cc(C(=O)OC)c(Nc2csc(C(=O)[O-])c2)s1 ZINC001176436673 1035264227 /nfs/dbraw/zinc/26/42/27/1035264227.db2.gz LXMGQUVTYVSHCF-UHFFFAOYSA-N -1 0 311.384 3.600 20 0 DHADRM Cc1ccc(Nc2csc(C(=O)[O-])c2)c(Br)n1 ZINC001176435998 1035264301 /nfs/dbraw/zinc/26/43/01/1035264301.db2.gz IFUQHSIPVKPHJE-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Fc1cc(CN2CCOCC2)ccc1Nc1ccccc1[S-] ZINC001176490766 1035279142 /nfs/dbraw/zinc/27/91/42/1035279142.db2.gz SGBAMJZAMZFJDG-UHFFFAOYSA-N -1 0 318.417 3.690 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cc(F)c(F)cc3F)cc2)CC1 ZINC001176586503 1035290036 /nfs/dbraw/zinc/29/00/36/1035290036.db2.gz HWVCZXQDJHLRHW-UHFFFAOYSA-N -1 0 307.271 3.964 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cncc(C(F)(F)F)c3)cc2)CC1 ZINC001176582315 1035290096 /nfs/dbraw/zinc/29/00/96/1035290096.db2.gz WGKFGBLWLRYWJG-UHFFFAOYSA-N -1 0 322.286 3.960 20 0 DHADRM CN(c1ccc(C2(C(=O)[O-])CC2)cc1)c1cc(Cl)ccc1N ZINC001176587837 1035290620 /nfs/dbraw/zinc/29/06/20/1035290620.db2.gz AJNSCZWYYZLWRR-UHFFFAOYSA-N -1 0 316.788 3.806 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cncc(C(F)(F)F)c2)cc1 ZINC001176588372 1035290985 /nfs/dbraw/zinc/29/09/85/1035290985.db2.gz FJWGPPOKVOLQJS-ZZXKWVIFSA-N -1 0 308.259 3.942 20 0 DHADRM CCC(=O)Nc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590097 1035291745 /nfs/dbraw/zinc/29/17/45/1035291745.db2.gz KWBIBKJCPOYYFK-UHFFFAOYSA-N -1 0 324.380 3.895 20 0 DHADRM Cc1cc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1O ZINC001176589868 1035291841 /nfs/dbraw/zinc/29/18/41/1035291841.db2.gz ZYOLVCIVJZQTLU-UHFFFAOYSA-N -1 0 301.317 3.700 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3c(O)cccc3Cl)cc2)CC1 ZINC001176589468 1035292204 /nfs/dbraw/zinc/29/22/04/1035292204.db2.gz GHAGAAXVEUMXDA-UHFFFAOYSA-N -1 0 303.745 3.905 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cccnc2OC(F)(F)F)cc1 ZINC001176594531 1035292856 /nfs/dbraw/zinc/29/28/56/1035292856.db2.gz TYXPSQDWMIRAKI-VMPITWQZSA-N -1 0 324.258 3.822 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(C3OCCO3)cc2)cc1 ZINC001176595118 1035292878 /nfs/dbraw/zinc/29/28/78/1035292878.db2.gz HJCLGGJGKYIJFH-XCVCLJGOSA-N -1 0 311.337 3.573 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccc3c(c2)OCCCO3)cc1 ZINC001176592959 1035293002 /nfs/dbraw/zinc/29/30/02/1035293002.db2.gz RSWLXAXWNZGAJV-RUDMXATFSA-N -1 0 311.337 3.689 20 0 DHADRM COC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC001176592436 1035293027 /nfs/dbraw/zinc/29/30/27/1035293027.db2.gz FJMADYSIJBOANQ-BJMVGYQFSA-N -1 0 311.337 3.623 20 0 DHADRM Cc1nc2c(Nc3ccc(/C=C/C(=O)[O-])cc3)cccn2c1C ZINC001176593240 1035293061 /nfs/dbraw/zinc/29/30/61/1035293061.db2.gz WKQYCPNHLNKGLB-JXMROGBWSA-N -1 0 307.353 3.793 20 0 DHADRM Cc1cc2c(cccc2Nc2ccc(/C=C/C(=O)[O-])cc2)nn1 ZINC001176595318 1035293098 /nfs/dbraw/zinc/29/30/98/1035293098.db2.gz MDTUZECZUDVWGX-JXMROGBWSA-N -1 0 305.337 3.780 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccccc2C2OCCO2)cc1 ZINC001176596592 1035293401 /nfs/dbraw/zinc/29/34/01/1035293401.db2.gz GINOLJJNWUYGNB-JXMROGBWSA-N -1 0 311.337 3.573 20 0 DHADRM Nc1cc(Cl)cc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176596629 1035293427 /nfs/dbraw/zinc/29/34/27/1035293427.db2.gz HABDLZLJWXGKGJ-ZZXKWVIFSA-N -1 0 306.724 3.903 20 0 DHADRM COCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176596029 1035293738 /nfs/dbraw/zinc/29/37/38/1035293738.db2.gz UWRJRQLOSSEWLF-RUDMXATFSA-N -1 0 301.317 3.814 20 0 DHADRM CCSc1ccc(Cl)cc1[N-]C(=O)c1nnc(C)s1 ZINC000668270668 1035304169 /nfs/dbraw/zinc/30/41/69/1035304169.db2.gz METAAEQPHXCXDM-UHFFFAOYSA-N -1 0 313.835 3.864 20 0 DHADRM Cc1c(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc2c1OCCO2 ZINC001176598049 1035306841 /nfs/dbraw/zinc/30/68/41/1035306841.db2.gz UHZNXLZHRVDDQQ-RUDMXATFSA-N -1 0 311.337 3.608 20 0 DHADRM O=C([O-])CC1(CNC(=O)c2ccsc2Cl)CCCCC1 ZINC000668281224 1035307324 /nfs/dbraw/zinc/30/73/24/1035307324.db2.gz PPQIKOGVRMECRA-UHFFFAOYSA-N -1 0 315.822 3.557 20 0 DHADRM Cc1cc2occ(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2cc1C ZINC000668287811 1035309325 /nfs/dbraw/zinc/30/93/25/1035309325.db2.gz KZMGLGDHUUMKPH-SFHVURJKSA-N -1 0 317.385 3.669 20 0 DHADRM CC(C)N(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CC(C)(C)C1 ZINC000668325229 1035323413 /nfs/dbraw/zinc/32/34/13/1035323413.db2.gz MEBFJBKUAZSCEQ-UHFFFAOYSA-N -1 0 317.429 3.743 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC001176710082 1035325604 /nfs/dbraw/zinc/32/56/04/1035325604.db2.gz DBGZGQICFQYWKJ-UHFFFAOYSA-N -1 0 313.744 3.968 20 0 DHADRM CC[C@@H](Cc1ccc(NCc2nccn2C(C)C)cc1)C(=O)[O-] ZINC000904015418 1035339182 /nfs/dbraw/zinc/33/91/82/1035339182.db2.gz NQWHDZBCTOUEFU-HNNXBMFYSA-N -1 0 315.417 3.729 20 0 DHADRM CC[C@H](Cc1ccc(NCc2n[nH]c3ccccc32)cc1)C(=O)[O-] ZINC000904015024 1035339473 /nfs/dbraw/zinc/33/94/73/1035339473.db2.gz CAEPUUAXUHGLMB-CQSZACIVSA-N -1 0 323.396 3.828 20 0 DHADRM Cc1cnccc1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000904017529 1035339810 /nfs/dbraw/zinc/33/98/10/1035339810.db2.gz KDMFFQWZPPILLF-GFCCVEGCSA-N -1 0 302.399 3.567 20 0 DHADRM CC(C)(C)OC(=O)Cc1ccc(-c2csc(C(=O)[O-])c2)cc1 ZINC001206291090 1035344396 /nfs/dbraw/zinc/34/43/96/1035344396.db2.gz GVDCRDQXVSSKPS-UHFFFAOYSA-N -1 0 318.394 3.998 20 0 DHADRM CC(C)(C)c1coc(CNc2ccc(CCCC(=O)[O-])cc2)n1 ZINC000904011668 1035345286 /nfs/dbraw/zinc/34/52/86/1035345286.db2.gz DCDUIFAIFZLVEE-UHFFFAOYSA-N -1 0 316.401 3.992 20 0 DHADRM CC(C)Oc1ccc(F)cc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904200453 1035384725 /nfs/dbraw/zinc/38/47/25/1035384725.db2.gz SBSDAHLAWXFXJZ-HUUCEWRRSA-N -1 0 322.380 3.604 20 0 DHADRM Cc1cccc([C@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000904262488 1035389147 /nfs/dbraw/zinc/38/91/47/1035389147.db2.gz HCEWMDWWGAFSPS-AWEZNQCLSA-N -1 0 318.442 3.665 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)sc2c1)c1cccnc1 ZINC001177792012 1035393030 /nfs/dbraw/zinc/39/30/30/1035393030.db2.gz XZUPENNZJNFISR-SECBINFHSA-N -1 0 315.423 3.722 20 0 DHADRM C[C@H](C(=O)Nc1c(Cl)ccc([O-])c1Cl)c1cccnc1 ZINC001177791098 1035393060 /nfs/dbraw/zinc/39/30/60/1035393060.db2.gz DCISGXCSXZHFDM-QMMMGPOBSA-N -1 0 311.168 3.836 20 0 DHADRM CC(C)n1cc(Cl)c(NC(=O)c2ccc(Cl)c([O-])c2)n1 ZINC001178198176 1035414804 /nfs/dbraw/zinc/41/48/04/1035414804.db2.gz BAIPVNPHBSCHBM-UHFFFAOYSA-N -1 0 314.172 3.729 20 0 DHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C2(C)CCC(C)CC2)c1 ZINC001178433699 1035425940 /nfs/dbraw/zinc/42/59/40/1035425940.db2.gz VYJBWBSFZDUQMY-UHFFFAOYSA-N -1 0 307.365 3.889 20 0 DHADRM O=C([O-])C1(CC(=O)N[C@H]2CCc3cccc4cccc2c43)CCC1 ZINC000905125509 1035482261 /nfs/dbraw/zinc/48/22/61/1035482261.db2.gz JITXKDCGPPRVON-INIZCTEOSA-N -1 0 323.392 3.588 20 0 DHADRM O=C(Nc1cc(F)c(O)cc1Cl)c1cc(Cl)ccc1[O-] ZINC001179656312 1035487631 /nfs/dbraw/zinc/48/76/31/1035487631.db2.gz QVLCORPUEJAMMI-UHFFFAOYSA-N -1 0 316.115 3.796 20 0 DHADRM CCCC[C@H](C)NC(=O)Nc1cccc(O)c1Br ZINC001193072753 1035549718 /nfs/dbraw/zinc/54/97/18/1035549718.db2.gz HUBUGIOMBXEHBQ-VIFPVBQESA-N -1 0 315.211 3.855 20 0 DHADRM O=S(=O)([N-]c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000485395040 1035603386 /nfs/dbraw/zinc/60/33/86/1035603386.db2.gz BTFIKGKYZFLYEP-UHFFFAOYSA-N -1 0 320.172 3.933 20 0 DHADRM COc1cccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000485404941 1035605916 /nfs/dbraw/zinc/60/59/16/1035605916.db2.gz LSPDUQMKVRPZME-UHFFFAOYSA-N -1 0 315.369 3.793 20 0 DHADRM CCn1ncc2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc21 ZINC000195743342 1035643547 /nfs/dbraw/zinc/64/35/47/1035643547.db2.gz JJYYPCPMEHLYDQ-UHFFFAOYSA-N -1 0 315.760 3.668 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cc3ccccc3s2)CCCCC1 ZINC001180434117 1035670504 /nfs/dbraw/zinc/67/05/04/1035670504.db2.gz IKFVPAJEOZWAIX-UHFFFAOYSA-N -1 0 303.383 3.875 20 0 DHADRM CCOC(=O)c1[n-]c(=NC(=O)OC2CCCCC2)sc1C ZINC001193597336 1035685629 /nfs/dbraw/zinc/68/56/29/1035685629.db2.gz MYSFLUQDAHOBRJ-UHFFFAOYSA-N -1 0 312.391 3.509 20 0 DHADRM Cn1ccc(-c2ccc(C(=O)Nc3ccccc3[S-])cc2)n1 ZINC001193683029 1035704711 /nfs/dbraw/zinc/70/47/11/1035704711.db2.gz YUEMQBFJLDOLAN-UHFFFAOYSA-N -1 0 309.394 3.628 20 0 DHADRM CC(C)[C@@H](NC(=O)c1ccc(F)c([O-])c1F)c1ccc(F)cc1 ZINC001193794136 1035726801 /nfs/dbraw/zinc/72/68/01/1035726801.db2.gz YUEAGQWYZQQDIS-OAHLLOKOSA-N -1 0 323.314 3.937 20 0 DHADRM O=C(Cc1ccccc1OC(F)F)Nc1ccccc1[S-] ZINC001181077594 1035839617 /nfs/dbraw/zinc/83/96/17/1035839617.db2.gz 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DHADRM CC(C)CCSCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474434333 339414371 /nfs/dbraw/zinc/41/43/71/339414371.db2.gz KVTNQJORHYFTDV-UHFFFAOYSA-N -1 0 305.802 3.903 20 0 DHADRM CSc1ccc(F)cc1CN=c1nc(C(C)(C)C)[n-]s1 ZINC000477350491 339492992 /nfs/dbraw/zinc/49/29/92/339492992.db2.gz LRFBTUPRSHJXPD-UHFFFAOYSA-N -1 0 311.451 3.731 20 0 DHADRM Cc1cccc(C2(C(=O)Nc3cc(C)c(C)c(C(=O)[O-])c3)CC2)c1 ZINC000485949978 339716816 /nfs/dbraw/zinc/71/68/16/339716816.db2.gz DCVQAHHQIUUAMJ-UHFFFAOYSA-N -1 0 323.392 3.980 20 0 DHADRM CC[C@H](CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccc(C)cc1 ZINC000486284627 339724537 /nfs/dbraw/zinc/72/45/37/339724537.db2.gz ORHYLVISZVQNLS-NVXWUHKLSA-N -1 0 319.445 3.742 20 0 DHADRM CC(C)(C)C[C@H](O)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000486902691 339737502 /nfs/dbraw/zinc/73/75/02/339737502.db2.gz YIBDCXQUCJDCNO-SECBINFHSA-N -1 0 320.216 3.825 20 0 DHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000498576657 339822543 /nfs/dbraw/zinc/82/25/43/339822543.db2.gz TWEHZICGQNZGFM-GFCCVEGCSA-N -1 0 317.410 3.896 20 0 DHADRM Cc1cncc(/C=C\C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000492901241 339911995 /nfs/dbraw/zinc/91/19/95/339911995.db2.gz YVZRAZQTLQTAJB-IHWYPQMZSA-N -1 0 306.724 3.540 20 0 DHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/C2CCCC2)c1 ZINC000493181438 339919125 /nfs/dbraw/zinc/91/91/25/339919125.db2.gz BGPLIUVBKRBCOW-CMDGGOBGSA-N -1 0 319.426 3.689 20 0 DHADRM CCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000498645655 340021480 /nfs/dbraw/zinc/02/14/80/340021480.db2.gz KOMXRSLJWDPKEO-XHSDSOJGSA-N -1 0 309.450 3.743 20 0 DHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cncc(F)c2)c(C)c1C ZINC000500549938 340062060 /nfs/dbraw/zinc/06/20/60/340062060.db2.gz XZGGIHACUSZIKU-UHFFFAOYSA-N -1 0 322.405 3.564 20 0 DHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500619472 340063935 /nfs/dbraw/zinc/06/39/35/340063935.db2.gz STPQBLXNASJXFU-WQVCFCJDSA-N -1 0 319.401 3.697 20 0 DHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500647975 340064449 /nfs/dbraw/zinc/06/44/49/340064449.db2.gz GVFUFTVITILXGJ-GFCCVEGCSA-N -1 0 315.344 3.731 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000500651239 340064525 /nfs/dbraw/zinc/06/45/25/340064525.db2.gz MQQJDYBIELCGNA-LLVKDONJSA-N -1 0 301.317 3.656 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000500653224 340064652 /nfs/dbraw/zinc/06/46/52/340064652.db2.gz ZCYCKZLBDFSJHH-UHFFFAOYSA-N -1 0 317.344 3.889 20 0 DHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506710795 340200039 /nfs/dbraw/zinc/20/00/39/340200039.db2.gz JVHHWENFLWQKQJ-UHFFFAOYSA-N -1 0 311.428 3.646 20 0 DHADRM CCCCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507275823 340216434 /nfs/dbraw/zinc/21/64/34/340216434.db2.gz DBMRKFIEMFOIAG-MRXNPFEDSA-N -1 0 311.809 3.726 20 0 DHADRM CCCc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000507296535 340216797 /nfs/dbraw/zinc/21/67/97/340216797.db2.gz WQZYOTKUSQLQHK-BRWVUGGUSA-N -1 0 317.429 3.563 20 0 DHADRM CC[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)CC(F)(F)F ZINC000402531716 340241754 /nfs/dbraw/zinc/24/17/54/340241754.db2.gz QYRPGTVXKJNGPX-NSHDSACASA-N -1 0 323.355 3.506 20 0 DHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000509102082 340261427 /nfs/dbraw/zinc/26/14/27/340261427.db2.gz CZIRLPPEWKRHGT-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM CC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C(C)(C)c1ccccc1 ZINC000509548849 340273150 /nfs/dbraw/zinc/27/31/50/340273150.db2.gz KYECDVNKGADDIV-JSGCOSHPSA-N -1 0 319.474 3.836 20 0 DHADRM CO[C@H](C)c1nc(=NCc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000509708506 340277660 /nfs/dbraw/zinc/27/76/60/340277660.db2.gz QVCLTPGBYCLKPJ-LLVKDONJSA-N -1 0 305.447 3.577 20 0 DHADRM CC[C@H](C)Oc1ccc(N=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000509753208 340278462 /nfs/dbraw/zinc/27/84/62/340278462.db2.gz XWBZKVCIHFYBDM-QWRGUYRKSA-N -1 0 307.419 3.588 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@H]2C[C@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000509834231 340281174 /nfs/dbraw/zinc/28/11/74/340281174.db2.gz IZOOOEKHFJVVAG-GAFUQQFSSA-N -1 0 323.849 3.679 20 0 DHADRM CO[C@H](C)c1nc(=N[C@H]2CC[C@H](c3cccc(F)c3)C2)s[n-]1 ZINC000509918759 340282723 /nfs/dbraw/zinc/28/27/23/340282723.db2.gz IUWHUDMGSGOQTH-OSMZGAPFSA-N -1 0 321.421 3.555 20 0 DHADRM Cc1cccc(C)c1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000172882520 340345545 /nfs/dbraw/zinc/34/55/45/340345545.db2.gz DAWLRVDEZDRFTK-UHFFFAOYSA-N -1 0 307.390 3.860 20 0 DHADRM O=C([O-])CCOc1ccc(-c2nc3cc(F)ccc3s2)cc1 ZINC000513856089 340428631 /nfs/dbraw/zinc/42/86/31/340428631.db2.gz PKWZUCLTVPUUQX-UHFFFAOYSA-N -1 0 317.341 3.956 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835234 340535647 /nfs/dbraw/zinc/53/56/47/340535647.db2.gz FRBGRWBSIRJYOL-GHMZBOCLSA-N -1 0 321.471 3.843 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000225445562 340567441 /nfs/dbraw/zinc/56/74/41/340567441.db2.gz SGPWNRKMDCRUGG-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM Cn1cc(CC(=O)Nc2cccc(Cl)c2[O-])c2ccccc21 ZINC000524504252 340655614 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Cc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2c1 ZINC000237910959 340674930 /nfs/dbraw/zinc/67/49/30/340674930.db2.gz OHCHFKFPQWPAKH-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCC1CCCCC1 ZINC000238219791 340675857 /nfs/dbraw/zinc/67/58/57/340675857.db2.gz AHUDDZGASPCAMD-INIZCTEOSA-N -1 0 309.450 3.983 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000316943511 340698921 /nfs/dbraw/zinc/69/89/21/340698921.db2.gz GDYVYMPOMZDGPB-UHFFFAOYSA-N -1 0 317.772 3.955 20 0 DHADRM CCC(NC(=O)c1cc(F)c([O-])c(Cl)c1)(C1CC1)C1CC1 ZINC000529799120 340769670 /nfs/dbraw/zinc/76/96/70/340769670.db2.gz AKJABUINBZRTJV-UHFFFAOYSA-N -1 0 311.784 3.883 20 0 DHADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000538012028 340807271 /nfs/dbraw/zinc/80/72/71/340807271.db2.gz HWERCAMTFKMGJB-UHFFFAOYSA-N -1 0 313.469 3.888 20 0 DHADRM Cc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)no1 ZINC000127761530 340856044 /nfs/dbraw/zinc/85/60/44/340856044.db2.gz ICKMQWXRKHJRJK-UHFFFAOYSA-N -1 0 321.547 3.901 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000539568533 340891053 /nfs/dbraw/zinc/89/10/53/340891053.db2.gz ZLJVMENZMOFRBI-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000539677392 340895514 /nfs/dbraw/zinc/89/55/14/340895514.db2.gz BGIPVSPYGZGSJD-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/SCc1ccco1 ZINC000128687459 340907237 /nfs/dbraw/zinc/90/72/37/340907237.db2.gz SCWSVBDDJHXIOD-SOFGYWHQSA-N -1 0 317.366 3.672 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000541731117 340981207 /nfs/dbraw/zinc/98/12/07/340981207.db2.gz OZAAMMXPAWDLEB-UWVGGRQHSA-N -1 0 315.335 3.756 20 0 DHADRM O=C(Cc1ccsc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130131193 341001260 /nfs/dbraw/zinc/00/12/60/341001260.db2.gz IOWDEMVSKJEVPX-UHFFFAOYSA-N -1 0 302.182 3.942 20 0 DHADRM Cn1ccc2c1cccc2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000542596959 341014813 /nfs/dbraw/zinc/01/48/13/341014813.db2.gz 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Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000237657536 341217654 /nfs/dbraw/zinc/21/76/54/341217654.db2.gz SXPLQEIQYZTVFJ-GOSISDBHSA-N -1 0 323.392 3.979 20 0 DHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000237683755 341218263 /nfs/dbraw/zinc/21/82/63/341218263.db2.gz AEQZUYBKPCRUOB-SFHVURJKSA-N -1 0 323.392 3.979 20 0 DHADRM Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1C(=O)[O-] ZINC000237717688 341219057 /nfs/dbraw/zinc/21/90/57/341219057.db2.gz YMVKUSZKQKZIAF-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1Cl ZINC000547821967 341235019 /nfs/dbraw/zinc/23/50/19/341235019.db2.gz GDLVUUBDJJFDSU-UHFFFAOYSA-N -1 0 320.801 3.931 20 0 DHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccnc1 ZINC000135284031 341235450 /nfs/dbraw/zinc/23/54/50/341235450.db2.gz BMPZNWOFABPUTJ-MRVPVSSYSA-N -1 0 311.168 3.585 20 0 DHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000135388028 341238278 /nfs/dbraw/zinc/23/82/78/341238278.db2.gz 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Cc1c2c(sc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)CCCC2 ZINC000180021882 525937714 /nfs/dbraw/zinc/93/77/14/525937714.db2.gz OWEJQPHNIRVQDA-NWDGAFQWSA-N -1 0 321.442 3.765 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000237547952 525993323 /nfs/dbraw/zinc/99/33/23/525993323.db2.gz ZIUPYTGJIVFIGB-LBPRGKRZSA-N -1 0 321.442 3.657 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)NCC1(C)CCCC1)C(=O)[O-] ZINC000237371819 525993988 /nfs/dbraw/zinc/99/39/88/525993988.db2.gz IAISFEJUWASIEM-GFCCVEGCSA-N -1 0 321.442 3.562 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237556961 525994782 /nfs/dbraw/zinc/99/47/82/525994782.db2.gz NTBSKXPMSGBNNE-SGMGOOAPSA-N -1 0 321.442 3.560 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCC2)C1 ZINC000245746963 526277166 /nfs/dbraw/zinc/27/71/66/526277166.db2.gz SSTMWFDSLKPBGQ-BBWFWOEESA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000237973206 526361473 /nfs/dbraw/zinc/36/14/73/526361473.db2.gz 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600783979 /nfs/dbraw/zinc/78/39/79/600783979.db2.gz BBUXWRDSLCGOOE-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000736664225 600792395 /nfs/dbraw/zinc/79/23/95/600792395.db2.gz LRHHFMUJCHBAPP-CYBMUJFWSA-N -1 0 322.364 3.891 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000776676489 600805896 /nfs/dbraw/zinc/80/58/96/600805896.db2.gz GJJSXOHVHYSDPS-ZLDLUXBVSA-N -1 0 323.820 3.798 20 0 DHADRM Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776674689 600806704 /nfs/dbraw/zinc/80/67/04/600806704.db2.gz KWKCDZDDAHIKLC-LBPRGKRZSA-N -1 0 323.801 3.656 20 0 DHADRM C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000828122755 600818247 /nfs/dbraw/zinc/81/82/47/600818247.db2.gz RFFLYLDUDBGCSS-XPTSAGLGSA-N -1 0 308.790 3.637 20 0 DHADRM Cc1cccc2c(CCC(=O)Oc3ccc(C(=O)[O-])cc3)c[nH]c21 ZINC000738310658 600822798 /nfs/dbraw/zinc/82/27/98/600822798.db2.gz JNFIHAHGWBMLBT-UHFFFAOYSA-N -1 0 323.348 3.713 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000383095834 600823484 /nfs/dbraw/zinc/82/34/84/600823484.db2.gz AGMHVRKQBCJXQM-ZJUUUORDSA-N -1 0 307.415 3.700 20 0 DHADRM Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])s2)c1C ZINC000832971031 600826361 /nfs/dbraw/zinc/82/63/61/600826361.db2.gz OVYYPZWSKLVMOD-UHFFFAOYSA-N -1 0 306.412 3.872 20 0 DHADRM CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1C(=O)[O-] ZINC000737311571 600826409 /nfs/dbraw/zinc/82/64/09/600826409.db2.gz QRLHHMFPMMPLCI-HUUCEWRRSA-N -1 0 301.386 3.564 20 0 DHADRM Cn1c(S[C@H](C(=O)[O-])c2ccccc2F)nc2ccccc21 ZINC000833039990 600832757 /nfs/dbraw/zinc/83/27/57/600832757.db2.gz ZABNWPMDVVTRNE-AWEZNQCLSA-N -1 0 316.357 3.630 20 0 DHADRM O=C([O-])[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1F ZINC000833170281 600833082 /nfs/dbraw/zinc/83/30/82/600833082.db2.gz PCTOOOVOAXJOJR-CYBMUJFWSA-N -1 0 302.330 3.620 20 0 DHADRM CCCC[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000829296681 600836149 /nfs/dbraw/zinc/83/61/49/600836149.db2.gz 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Cc1ccc2cccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)c2n1 ZINC000738297025 603002154 /nfs/dbraw/zinc/00/21/54/603002154.db2.gz FFGXCUYFYPCZSL-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000740714927 603007463 /nfs/dbraw/zinc/00/74/63/603007463.db2.gz CLSLCLCPNSPKLJ-UHFFFAOYSA-N -1 0 314.272 3.914 20 0 DHADRM Cc1ccc(C(=O)N2C3CCCC2CCC3)cc1NC(=O)[O-] ZINC000830186821 603008134 /nfs/dbraw/zinc/00/81/34/603008134.db2.gz KTCAYHBOBOJFAI-UHFFFAOYSA-N -1 0 302.374 3.632 20 0 DHADRM C[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000738977855 603039258 /nfs/dbraw/zinc/03/92/58/603039258.db2.gz BKELJVSULPRMOY-SNVBAGLBSA-N -1 0 317.320 3.798 20 0 DHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000740707090 603040196 /nfs/dbraw/zinc/04/01/96/603040196.db2.gz MMBDBJNUCAAVAB-AWEZNQCLSA-N -1 0 321.352 3.712 20 0 DHADRM C[C@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1F ZINC000823738589 603042378 /nfs/dbraw/zinc/04/23/78/603042378.db2.gz 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C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000825442506 603185429 /nfs/dbraw/zinc/18/54/29/603185429.db2.gz IPKVNMPXHLTCNH-VIFPVBQESA-N -1 0 320.295 3.546 20 0 DHADRM COc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739979053 603200064 /nfs/dbraw/zinc/20/00/64/603200064.db2.gz SKBSEQBNYHDSOL-UHFFFAOYSA-N -1 0 320.732 3.691 20 0 DHADRM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739096863 603201125 /nfs/dbraw/zinc/20/11/25/603201125.db2.gz FIGACYXRMQJKFJ-RNCFNFMXSA-N -1 0 310.781 3.738 20 0 DHADRM Cc1nc(Cl)cc(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000830765127 603206211 /nfs/dbraw/zinc/20/62/11/603206211.db2.gz PMVUJBLHRKAYJO-MRVPVSSYSA-N -1 0 306.753 3.511 20 0 DHADRM CCSc1cccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000739519334 603206845 /nfs/dbraw/zinc/20/68/45/603206845.db2.gz STHYOYHNARIEBZ-RYUDHWBXSA-N -1 0 322.430 3.564 20 0 DHADRM Cc1ccc(F)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830230368 603218850 /nfs/dbraw/zinc/21/88/50/603218850.db2.gz GWGZXJRMPOBAMR-UHFFFAOYSA-N -1 0 302.305 3.785 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1NC(=O)[O-] ZINC000830204886 603222797 /nfs/dbraw/zinc/22/27/97/603222797.db2.gz KCDZAHFZQJDPBZ-ZKYQVNSYSA-N -1 0 304.390 3.639 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000738662809 603292442 /nfs/dbraw/zinc/29/24/42/603292442.db2.gz WNFAVOZOVCQFCU-KRWDZBQOSA-N -1 0 324.380 3.528 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000740029513 603293839 /nfs/dbraw/zinc/29/38/39/603293839.db2.gz RQVXSQYBCLUVIY-KRWDZBQOSA-N -1 0 324.380 3.528 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1NC(=O)[O-] ZINC000830182178 603296071 /nfs/dbraw/zinc/29/60/71/603296071.db2.gz TXOTYLBKRKVLAF-DOMZBBRYSA-N -1 0 304.390 3.736 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830257752 603299697 /nfs/dbraw/zinc/29/96/97/603299697.db2.gz XMAHFSBPOMMHGO-CYBMUJFWSA-N -1 0 312.369 3.884 20 0 DHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)C1CCCCC1 ZINC000825172601 603320315 /nfs/dbraw/zinc/32/03/15/603320315.db2.gz VTBHECQRAAVIBF-GFCCVEGCSA-N -1 0 319.405 3.545 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826666675 603322859 /nfs/dbraw/zinc/32/28/59/603322859.db2.gz GCDANGYXZPTNMZ-OCCSQVGLSA-N -1 0 304.390 3.784 20 0 DHADRM CC1(C)CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000825713829 603325859 /nfs/dbraw/zinc/32/58/59/603325859.db2.gz HFAPGIXXQJRINT-UHFFFAOYSA-N -1 0 323.368 3.960 20 0 DHADRM CCCCC[C@@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739331081 603326289 /nfs/dbraw/zinc/32/62/89/603326289.db2.gz QBLVOEJTQVRIOA-GFCCVEGCSA-N -1 0 307.394 3.545 20 0 DHADRM CCN(Cc1cccc(NC(=O)N(C)C2CCCC2)c1)C(=O)[O-] ZINC000739443202 603346443 /nfs/dbraw/zinc/34/64/43/603346443.db2.gz QCUHIDPVQIACLL-UHFFFAOYSA-N -1 0 319.405 3.593 20 0 DHADRM CCN(Cc1ccccc1NC(=O)NCCC(C)(C)C)C(=O)[O-] ZINC000739443542 603348928 /nfs/dbraw/zinc/34/89/28/603348928.db2.gz PJIDKVRVWPHZEQ-UHFFFAOYSA-N -1 0 321.421 3.744 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N(CC)CC(C)C)C(=O)[O-] ZINC000739444642 603351088 /nfs/dbraw/zinc/35/10/88/603351088.db2.gz BBURXARZPXDLRF-UHFFFAOYSA-N -1 0 321.421 3.696 20 0 DHADRM C[C@@H]1CCCCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739101051 603363013 /nfs/dbraw/zinc/36/30/13/603363013.db2.gz UJIDZRULNJBTPQ-CYBMUJFWSA-N -1 0 319.405 3.593 20 0 DHADRM CCC(CC)CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826571144 603377411 /nfs/dbraw/zinc/37/74/11/603377411.db2.gz CAMZLQUXUUZFOS-NSHDSACASA-N -1 0 307.394 3.573 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000825886606 603377485 /nfs/dbraw/zinc/37/74/85/603377485.db2.gz IOPSOLLVPPSBED-LALPHHSUSA-N -1 0 319.405 3.715 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826903166 603386839 /nfs/dbraw/zinc/38/68/39/603386839.db2.gz HREXASTUKRVHNR-ZDUSSCGKSA-N -1 0 321.421 3.915 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826907584 603388835 /nfs/dbraw/zinc/38/88/35/603388835.db2.gz QLQHBSCDHJRLRG-GFCCVEGCSA-N -1 0 307.394 3.669 20 0 DHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736760881 603394303 /nfs/dbraw/zinc/39/43/03/603394303.db2.gz OBMQXTURWFHYDS-XJKSGUPXSA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C)(C)C ZINC000738633270 603398401 /nfs/dbraw/zinc/39/84/01/603398401.db2.gz XIWDPAULGAARIT-NSHDSACASA-N -1 0 304.390 3.738 20 0 DHADRM C[C@@H](CN(C)C(=O)[O-])c1noc([C@@H](C)c2cccc(Cl)c2)n1 ZINC000824902730 603421861 /nfs/dbraw/zinc/42/18/61/603421861.db2.gz NUUWHPJMMHRIPZ-UWVGGRQHSA-N -1 0 323.780 3.588 20 0 DHADRM O=C([O-])N[C@@H](CCC(=O)OCc1ccsc1)c1ccccc1 ZINC000832121217 603473679 /nfs/dbraw/zinc/47/36/79/603473679.db2.gz VCQFIXYZRGKMEQ-AWEZNQCLSA-N -1 0 319.382 3.580 20 0 DHADRM CC(C)(C)c1nc(C(=O)Oc2cccc(NC(=O)[O-])c2)cs1 ZINC000737587466 603478876 /nfs/dbraw/zinc/47/88/76/603478876.db2.gz RUIGMSDPYJNKAQ-UHFFFAOYSA-N -1 0 320.370 3.750 20 0 DHADRM CC(C)Cc1nc(C(=O)Oc2cccc(NC(=O)[O-])c2)cs1 ZINC000824310904 603481504 /nfs/dbraw/zinc/48/15/04/603481504.db2.gz IWFAOZFGVJSUQG-UHFFFAOYSA-N -1 0 320.370 3.651 20 0 DHADRM Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830230569 603527306 /nfs/dbraw/zinc/52/73/06/603527306.db2.gz LLVJDBZPEHJUNB-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2c(O)cccc2F)c(Cl)c1 ZINC000832838708 603624268 /nfs/dbraw/zinc/62/42/68/603624268.db2.gz LJUZPQDUBQNODQ-UHFFFAOYSA-N -1 0 324.695 3.527 20 0 DHADRM CC(C)CCO[C@H](C)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000824239457 603641055 /nfs/dbraw/zinc/64/10/55/603641055.db2.gz UJQTWWNODRVFOK-LLVKDONJSA-N -1 0 319.361 3.950 20 0 DHADRM CCCCO[C@H](C)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000826842680 603641880 /nfs/dbraw/zinc/64/18/80/603641880.db2.gz SQXFWYDAQCVRTO-SNVBAGLBSA-N -1 0 305.334 3.704 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C(C)(C)c2cccs2)n1 ZINC000824217617 603768206 /nfs/dbraw/zinc/76/82/06/603768206.db2.gz HDVBDLGIFRCVAG-SNVBAGLBSA-N -1 0 323.418 3.812 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc1 ZINC000825423517 603812140 /nfs/dbraw/zinc/81/21/40/603812140.db2.gz QJEQDIWWCUEINQ-VXGBXAGGSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@@H](N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C1(C)CC1 ZINC000825423515 603812148 /nfs/dbraw/zinc/81/21/48/603812148.db2.gz QJEQDIWWCUEINQ-NWDGAFQWSA-N -1 0 319.405 3.668 20 0 DHADRM CCN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])[C@@H](C)C(C)C ZINC000826980674 603991284 /nfs/dbraw/zinc/99/12/84/603991284.db2.gz ZDKCYLHKIYRKPO-LBPRGKRZSA-N -1 0 319.405 3.625 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830472742 604028890 /nfs/dbraw/zinc/02/88/90/604028890.db2.gz SRJBBTWPNNFORB-ZDUSSCGKSA-N -1 0 304.390 3.589 20 0 DHADRM CC1(C)CCC[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000825714463 604039591 /nfs/dbraw/zinc/03/95/91/604039591.db2.gz OENGPGLESWRBOF-GFCCVEGCSA-N -1 0 310.781 3.738 20 0 DHADRM CO[C@@H](C)c1nc(COc2cc(C)ccc2NC(=O)[O-])cs1 ZINC000828837526 604048518 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Cc1cccc([C@@H]2CCCN2c2nc(Cl)c(C(=O)[O-])s2)n1 ZINC000832969226 604277048 /nfs/dbraw/zinc/27/70/48/604277048.db2.gz VWLCSRKRSUQJFG-JTQLQIEISA-N -1 0 323.805 3.540 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000828286708 604280815 /nfs/dbraw/zinc/28/08/15/604280815.db2.gz YXNXHQPBPOHTIZ-KFNAQCHYSA-N -1 0 319.376 3.565 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(C)ccc1C ZINC000829602486 604287720 /nfs/dbraw/zinc/28/77/20/604287720.db2.gz PCGKNHDEPVIHOA-UHFFFAOYSA-N -1 0 315.344 3.807 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829210103 604342268 /nfs/dbraw/zinc/34/22/68/604342268.db2.gz ZOBBVDIWXKHBJQ-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Cl)cc2F)cc1F ZINC000833353899 604377153 /nfs/dbraw/zinc/37/71/53/604377153.db2.gz XNMGRWFHVLDDPO-UHFFFAOYSA-N -1 0 312.655 3.536 20 0 DHADRM C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000825995703 604379124 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ZINC000833447812 604465539 /nfs/dbraw/zinc/46/55/39/604465539.db2.gz XLYUTZSRTDEWGG-UHFFFAOYSA-N -1 0 313.394 3.774 20 0 DHADRM Cc1ccc(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000833748536 604470922 /nfs/dbraw/zinc/47/09/22/604470922.db2.gz OHCPYRBTKKXNAU-UHFFFAOYSA-N -1 0 310.305 3.588 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828709291 604475046 /nfs/dbraw/zinc/47/50/46/604475046.db2.gz QSVILLYLQCVLPA-GUTXKFCHSA-N -1 0 320.433 3.572 20 0 DHADRM CCc1oc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000827682122 604477208 /nfs/dbraw/zinc/47/72/08/604477208.db2.gz VEIPBEXIHKGMIP-NSHDSACASA-N -1 0 316.357 3.731 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833387499 604484520 /nfs/dbraw/zinc/48/45/20/604484520.db2.gz FITXQZPIWBSNHL-UHFFFAOYSA-N -1 0 305.374 3.561 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832966123 604490751 /nfs/dbraw/zinc/49/07/51/604490751.db2.gz IHQRZWGLINSRQT-NSHDSACASA-N -1 0 318.398 3.680 20 0 DHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828900312 604492363 /nfs/dbraw/zinc/49/23/63/604492363.db2.gz GHLBUBGJWXXHIJ-CYBMUJFWSA-N -1 0 318.398 3.589 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832873880 604493299 /nfs/dbraw/zinc/49/32/99/604493299.db2.gz BGRQATWHKNZZRT-LLVKDONJSA-N -1 0 318.398 3.946 20 0 DHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Cc1cccs1 ZINC000827478832 604501698 /nfs/dbraw/zinc/50/16/98/604501698.db2.gz UZAZWELUBPSJPA-SECBINFHSA-N -1 0 324.427 3.508 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000828951804 604522842 /nfs/dbraw/zinc/52/28/42/604522842.db2.gz SAHJHSVGBURXCR-GFCCVEGCSA-N -1 0 304.371 3.719 20 0 DHADRM CC(C)CCN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826848795 604522916 /nfs/dbraw/zinc/52/29/16/604522916.db2.gz DBYKADGFRMRFNK-OAHLLOKOSA-N -1 0 320.433 3.526 20 0 DHADRM CC(C)Oc1cccc(OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833507470 604529085 /nfs/dbraw/zinc/52/90/85/604529085.db2.gz 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604586933 /nfs/dbraw/zinc/58/69/33/604586933.db2.gz GLFMZYYLOJDWJP-NXEZZACHSA-N -1 0 310.781 3.691 20 0 DHADRM CC(C)[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc(F)cc1 ZINC000833465548 604594032 /nfs/dbraw/zinc/59/40/32/604594032.db2.gz MEGKHZQXJNUFSZ-AWEZNQCLSA-N -1 0 320.316 3.600 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(C)cc2F)oc1C(=O)[O-] ZINC000832919054 604596525 /nfs/dbraw/zinc/59/65/25/604596525.db2.gz VTQFEWLJHAXWHX-SNVBAGLBSA-N -1 0 306.289 3.652 20 0 DHADRM CC(C)[C@H](C)N(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833468436 604598998 /nfs/dbraw/zinc/59/89/98/604598998.db2.gz GNHYRFIESHKJNU-LBPRGKRZSA-N -1 0 324.446 3.762 20 0 DHADRM C[C@@H](OC(=O)/C=C/SCc1ccco1)c1ccc(C(=O)[O-])o1 ZINC000827825599 604599545 /nfs/dbraw/zinc/59/95/45/604599545.db2.gz GQZRYWUPIBUKBA-QEHWCHDUSA-N -1 0 322.338 3.622 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2cccc(C(C)C)n2)oc1C(=O)[O-] ZINC000832874012 604602270 /nfs/dbraw/zinc/60/22/70/604602270.db2.gz HELJTQBYKBNGQM-NSHDSACASA-N -1 0 317.341 3.723 20 0 DHADRM CS/C=C\C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832747956 604617078 /nfs/dbraw/zinc/61/70/78/604617078.db2.gz UNIRZAUZLMUTBF-QUCGXOGASA-N -1 0 321.181 3.539 20 0 DHADRM CCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000833682685 604625341 /nfs/dbraw/zinc/62/53/41/604625341.db2.gz SNRQEUDZPQZCFJ-KRWDZBQOSA-N -1 0 323.348 3.644 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000827073129 604636716 /nfs/dbraw/zinc/63/67/16/604636716.db2.gz PLPQPRFKTRSHEO-GFCCVEGCSA-N -1 0 322.430 3.658 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 ZINC000833327504 604714746 /nfs/dbraw/zinc/71/47/46/604714746.db2.gz PHUWKEFUNBVDBU-QGZVFWFLSA-N -1 0 315.413 3.960 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829349586 604717668 /nfs/dbraw/zinc/71/76/68/604717668.db2.gz YZEXEQWASWUKQL-HNNXBMFYSA-N -1 0 304.390 3.961 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829349588 604717670 /nfs/dbraw/zinc/71/76/70/604717670.db2.gz 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ZINC000830053866 604788967 /nfs/dbraw/zinc/78/89/67/604788967.db2.gz AJBKLKHYOVZVFR-LLVKDONJSA-N -1 0 321.398 3.837 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000833385156 604792598 /nfs/dbraw/zinc/79/25/98/604792598.db2.gz UGJYMAULSYLMSZ-VAWYXSNFSA-N -1 0 321.804 3.599 20 0 DHADRM CCC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1 ZINC000833647352 604799266 /nfs/dbraw/zinc/79/92/66/604799266.db2.gz CNFOAVPJARRYND-ZDUSSCGKSA-N -1 0 313.353 3.613 20 0 DHADRM O=C([O-])c1sc(NCCc2cc3ccccc3[nH]2)nc1Cl ZINC000833347106 604812094 /nfs/dbraw/zinc/81/20/94/604812094.db2.gz VSGGZFJLRPFMKJ-UHFFFAOYSA-N -1 0 321.789 3.631 20 0 DHADRM CCC(CC)n1ccc(CNc2cc(OC)ccc2C(=O)[O-])n1 ZINC000828870350 604814755 /nfs/dbraw/zinc/81/47/55/604814755.db2.gz OQAJUQZWIMUYSP-UHFFFAOYSA-N -1 0 317.389 3.563 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3sccc3C(=O)[O-])ccc2n1 ZINC000832961970 604821377 /nfs/dbraw/zinc/82/13/77/604821377.db2.gz LNLALBASCNBYKY-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@H](c1cccs1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000128985661 604822631 /nfs/dbraw/zinc/82/26/31/604822631.db2.gz AICAYKNJLODAMC-ZCFIWIBFSA-N -1 0 302.808 3.754 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc(C(C)C)n2)n1 ZINC000824217525 604828389 /nfs/dbraw/zinc/82/83/89/604828389.db2.gz GBQBUMAAQOOPIG-CYBMUJFWSA-N -1 0 318.377 3.610 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])cs3)ccc2n1 ZINC000832962180 604832456 /nfs/dbraw/zinc/83/24/56/604832456.db2.gz TXRDUBDAYNXYEA-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC(C)c1cccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000824469514 604842608 /nfs/dbraw/zinc/84/26/08/604842608.db2.gz BIMOOABUKSDDFL-UHFFFAOYSA-N -1 0 314.341 3.538 20 0 DHADRM CCC(=O)c1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000828580868 604844426 /nfs/dbraw/zinc/84/44/26/604844426.db2.gz WASRZCBKQGGWHB-UHFFFAOYSA-N -1 0 312.325 3.622 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000827854448 604847422 /nfs/dbraw/zinc/84/74/22/604847422.db2.gz 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ZINC000262728724 604890849 /nfs/dbraw/zinc/89/08/49/604890849.db2.gz HSAIFYWDQJUEPI-LPHOPBHVSA-N -1 0 311.381 3.603 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000318006710 604891469 /nfs/dbraw/zinc/89/14/69/604891469.db2.gz ARMPVIPVUCYJFM-OAHLLOKOSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000833560427 604898508 /nfs/dbraw/zinc/89/85/08/604898508.db2.gz FDLAREPTXOFNRA-GJZGRUSLSA-N -1 0 323.477 3.942 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000833560429 604898520 /nfs/dbraw/zinc/89/85/20/604898520.db2.gz FDLAREPTXOFNRA-HUUCEWRRSA-N -1 0 323.477 3.942 20 0 DHADRM C[C@@H](SCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000833543362 604904948 /nfs/dbraw/zinc/90/49/48/604904948.db2.gz RPTPLTKEHAKXNH-SNVBAGLBSA-N -1 0 311.403 3.740 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)Nc2ccc(C3CC3)cc2)cc1 ZINC000833776239 604914141 /nfs/dbraw/zinc/91/41/41/604914141.db2.gz XOIZIKCVOIGQTF-UHFFFAOYSA-N -1 0 310.353 3.835 20 0 DHADRM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829230083 604919356 /nfs/dbraw/zinc/91/93/56/604919356.db2.gz FHOWVVOIUQBPPQ-MRXNPFEDSA-N -1 0 315.344 3.795 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1F ZINC000833309913 604944100 /nfs/dbraw/zinc/94/41/00/604944100.db2.gz IUWPEAXZMMRXDV-UHFFFAOYSA-N -1 0 319.376 3.709 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000829208037 604945058 /nfs/dbraw/zinc/94/50/58/604945058.db2.gz HXPAGAVOKHIAGP-IAQYHMDHSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)[C@H](OC(=O)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833473005 604977241 /nfs/dbraw/zinc/97/72/41/604977241.db2.gz NTOSQIMGOIXYPG-AWEZNQCLSA-N -1 0 318.291 3.811 20 0 DHADRM O=C([O-])[C@@H](Nc1ccc(OC2CCCC2)cc1)c1cccnc1 ZINC000833171424 604990488 /nfs/dbraw/zinc/99/04/88/604990488.db2.gz XYPUNBWXBQMTAS-KRWDZBQOSA-N -1 0 312.369 3.641 20 0 DHADRM CC(C)Oc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1Cl ZINC000827058702 604990533 /nfs/dbraw/zinc/99/05/33/604990533.db2.gz SCFSHFMUVIWMLE-HNNXBMFYSA-N -1 0 320.776 3.760 20 0 DHADRM CC(C)CCOc1cccc(N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000826860776 604995945 /nfs/dbraw/zinc/99/59/45/604995945.db2.gz HBZQUWFRNLOFLD-KRWDZBQOSA-N -1 0 314.385 3.744 20 0 DHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000391947854 605010684 /nfs/dbraw/zinc/01/06/84/605010684.db2.gz AQJLBOHACFQZMI-KRWDZBQOSA-N -1 0 324.380 3.825 20 0 DHADRM C[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)c1c(F)cccc1F ZINC000833408759 605030272 /nfs/dbraw/zinc/03/02/72/605030272.db2.gz JFCROVIBLDUIQX-VIFPVBQESA-N -1 0 320.295 3.797 20 0 DHADRM COCc1ccc(SCc2ccccc2CC(=O)[O-])cc1 ZINC000833726061 605058078 /nfs/dbraw/zinc/05/80/78/605058078.db2.gz PPWHSMFXXGIJQI-UHFFFAOYSA-N -1 0 302.395 3.752 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000761641898 605069353 /nfs/dbraw/zinc/06/93/53/605069353.db2.gz KPAPGUHVAMLGDZ-IDOMTICXSA-N -1 0 315.413 3.583 20 0 DHADRM CC1(C)CC[C@H](C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833557669 605075834 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C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(NC(=O)[O-])cc3)C2)C1 ZINC000833611114 605091162 /nfs/dbraw/zinc/09/11/62/605091162.db2.gz NDLAEBMJEANJSU-PXAZEXFGSA-N -1 0 317.389 3.821 20 0 DHADRM CC(C)C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000316512769 605102460 /nfs/dbraw/zinc/10/24/60/605102460.db2.gz CWXFSHGJEMXAIV-GFCCVEGCSA-N -1 0 306.406 3.605 20 0 DHADRM CC1(C)C[C@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833557850 605117454 /nfs/dbraw/zinc/11/74/54/605117454.db2.gz MSTRAEYRZZOQEK-QWRGUYRKSA-N -1 0 316.275 3.578 20 0 DHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)NCCCCCCCC(=O)[O-])C2)C1 ZINC000833611962 605119152 /nfs/dbraw/zinc/11/91/52/605119152.db2.gz RKVMVNNINBTXIC-CRAIPNDOSA-N -1 0 324.465 3.633 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833603983 605130290 /nfs/dbraw/zinc/13/02/90/605130290.db2.gz XUZYZRLWQYJQAB-JMSVASOKSA-N -1 0 302.374 3.570 20 0 DHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000040552349 605132425 /nfs/dbraw/zinc/13/24/25/605132425.db2.gz WXPYMZUSVWVUHS-UWVGGRQHSA-N -1 0 310.781 3.548 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833599958 605134333 /nfs/dbraw/zinc/13/43/33/605134333.db2.gz ANTGMXAXSKRLOS-ZETOZRRWSA-N -1 0 320.364 3.709 20 0 DHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833604951 605139647 /nfs/dbraw/zinc/13/96/47/605139647.db2.gz UZDIOWRREAFWFJ-RKDXNWHRSA-N -1 0 308.403 3.728 20 0 DHADRM CC1(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCCCC1 ZINC000833565078 605147358 /nfs/dbraw/zinc/14/73/58/605147358.db2.gz VRPUQMDODNBWDL-CQSZACIVSA-N -1 0 315.413 3.952 20 0 DHADRM CC(C)CC[C@H]1CCCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833481494 605152758 /nfs/dbraw/zinc/15/27/58/605152758.db2.gz VVOVYQXVMPXJBN-UYSNPLJNSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)C[C@H](Sc1ccc(Br)cn1)C(=O)[O-] ZINC000833430613 605152925 /nfs/dbraw/zinc/15/29/25/605152925.db2.gz YCOLMGDECLAUHM-VIFPVBQESA-N -1 0 318.236 3.826 20 0 DHADRM CC(C)(C)Cc1csc(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000833430396 605160943 /nfs/dbraw/zinc/16/09/43/605160943.db2.gz OZZCSQSIAFNBKK-UHFFFAOYSA-N -1 0 318.398 3.682 20 0 DHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1cccc(F)c1F ZINC000833525128 605161561 /nfs/dbraw/zinc/16/15/61/605161561.db2.gz MWJAGJDYYSXTAP-YFKPBYRVSA-N -1 0 318.732 3.946 20 0 DHADRM CC(C)C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833474140 605169279 /nfs/dbraw/zinc/16/92/79/605169279.db2.gz LZHPEMZIZMFZHB-INIZCTEOSA-N -1 0 312.369 3.548 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833482988 605171587 /nfs/dbraw/zinc/17/15/87/605171587.db2.gz JEOIJPXSUPGINM-HNNXBMFYSA-N -1 0 319.405 3.602 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000262442738 605207628 /nfs/dbraw/zinc/20/76/28/605207628.db2.gz PYYNKLNRPZSNNY-LJQANCHMSA-N -1 0 324.380 3.741 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2ccc(CNC(=O)[O-])cc2)C12CCCC2 ZINC000833660973 605219805 /nfs/dbraw/zinc/21/98/05/605219805.db2.gz RTHYEHZMUBUJLJ-HZPDHXFCSA-N -1 0 318.417 3.604 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000833426176 605238712 /nfs/dbraw/zinc/23/87/12/605238712.db2.gz FMHGRSQCFRPTOE-ZQMJAJRESA-N -1 0 315.369 3.614 20 0 DHADRM CC(C)c1nc2cc(NC3CCN(C(=O)[O-])CC3)ccc2o1 ZINC000824488790 605239179 /nfs/dbraw/zinc/23/91/79/605239179.db2.gz SNAKWRFZVWMPCP-UHFFFAOYSA-N -1 0 303.362 3.506 20 0 DHADRM O=C([O-])N1CCC(Nc2ccc(SC(F)F)cc2)CC1 ZINC000831963378 605241472 /nfs/dbraw/zinc/24/14/72/605241472.db2.gz DSQRQRTZRZJKIO-UHFFFAOYSA-N -1 0 302.346 3.556 20 0 DHADRM CCN(Cc1cccc(NCc2ccc3[nH]cnc3c2)c1)C(=O)[O-] ZINC000827169322 605245085 /nfs/dbraw/zinc/24/50/85/605245085.db2.gz AFLUMCAIODRWCF-UHFFFAOYSA-N -1 0 324.384 3.675 20 0 DHADRM CN(Cc1ccccc1NCc1cnc2ccccc2c1)C(=O)[O-] ZINC000828400209 605246430 /nfs/dbraw/zinc/24/64/30/605246430.db2.gz TVHXYJURHAQSEN-UHFFFAOYSA-N -1 0 321.380 3.957 20 0 DHADRM CN(Cc1ccccc1NCc1cccc2cc[nH]c21)C(=O)[O-] ZINC000828400227 605246457 /nfs/dbraw/zinc/24/64/57/605246457.db2.gz UQQKHKWBYFIUSC-UHFFFAOYSA-N -1 0 309.369 3.890 20 0 DHADRM CC(C)c1ccccc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000824476562 605251497 /nfs/dbraw/zinc/25/14/97/605251497.db2.gz NKIWAVBIRKSIKS-UHFFFAOYSA-N -1 0 312.369 3.933 20 0 DHADRM CSCCc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829748975 605253546 /nfs/dbraw/zinc/25/35/46/605253546.db2.gz ZRABTQFMGZRPIA-UHFFFAOYSA-N -1 0 317.414 3.689 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000517819662 605255836 /nfs/dbraw/zinc/25/58/36/605255836.db2.gz PRLLIJVPSUBJGY-CVEARBPZSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000833409324 605277164 /nfs/dbraw/zinc/27/71/64/605277164.db2.gz LVEGNCQDLMMLNL-SECBINFHSA-N -1 0 320.295 3.797 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)C(C)C ZINC000833669494 605277435 /nfs/dbraw/zinc/27/74/35/605277435.db2.gz XNBIWIQSPMLMPB-LBPRGKRZSA-N -1 0 314.382 3.632 20 0 DHADRM 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C[C@@](NC(=O)C=C1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000761593917 939067964 /nfs/dbraw/zinc/06/79/64/939067964.db2.gz MBTCBWIPXCXNNI-IBGZPJMESA-N -1 0 315.413 3.629 20 0 DHADRM O=C(C=C1CCCC1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206795 939071176 /nfs/dbraw/zinc/07/11/76/939071176.db2.gz OUWQSDTUNHLPBP-SFHVURJKSA-N -1 0 309.365 3.582 20 0 DHADRM Cc1ccc2oc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2c1 ZINC000320421244 939123735 /nfs/dbraw/zinc/12/37/35/939123735.db2.gz SQDYJBZZYLTEMX-UHFFFAOYSA-N -1 0 315.369 3.649 20 0 DHADRM O=C([O-])C1(NC(=O)Nc2ccc(C(F)F)cc2)CCCCC1 ZINC000386422053 939132896 /nfs/dbraw/zinc/13/28/96/939132896.db2.gz LRLIQPRWPRZPOQ-UHFFFAOYSA-N -1 0 312.316 3.533 20 0 DHADRM CC1(CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)CCCCCC1 ZINC000562459359 939332019 /nfs/dbraw/zinc/33/20/19/939332019.db2.gz OIEHTTGLUQNPNE-CYBMUJFWSA-N -1 0 324.446 3.534 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnc(C(F)F)c(C)c2)c1 ZINC001600110458 970768415 /nfs/dbraw/zinc/76/84/15/970768415.db2.gz 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970769678 /nfs/dbraw/zinc/76/96/78/970769678.db2.gz UNGSWPBEODRTOH-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM Cc1cc(NC(=O)NC[C@H](C)C(=O)[O-])ccc1-c1ccccc1 ZINC001600267200 970788797 /nfs/dbraw/zinc/78/87/97/970788797.db2.gz AYYHDIPLPOIQGC-ZDUSSCGKSA-N -1 0 312.369 3.504 20 0 DHADRM Cc1ccc(NC(=O)NCCCC(=O)[O-])cc1-c1ccsc1 ZINC001600453977 970811848 /nfs/dbraw/zinc/81/18/48/970811848.db2.gz XLHSCBUKFVJEPM-UHFFFAOYSA-N -1 0 318.398 3.710 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001600553301 970825770 /nfs/dbraw/zinc/82/57/70/970825770.db2.gz KPOQWNGLYIOMAY-DZKIICNBSA-N -1 0 317.429 3.591 20 0 DHADRM Cc1ccc([C@H](Nc2cccc(C(=O)[O-])n2)c2ccccn2)cc1 ZINC001611171475 970923036 /nfs/dbraw/zinc/92/30/36/970923036.db2.gz MQRAOYURSZVTOA-SFHVURJKSA-N -1 0 319.364 3.685 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccc(Br)o2)c1 ZINC001602043979 971129739 /nfs/dbraw/zinc/12/97/39/971129739.db2.gz BXLFPLVODRUMTR-UHFFFAOYSA-N -1 0 324.174 3.671 20 0 DHADRM C/C(=C\C(=O)N1CCCc2cc(C(=O)[O-])ccc21)C(C)(C)C ZINC001602734966 971414674 /nfs/dbraw/zinc/41/46/74/971414674.db2.gz FXYWQJASRYVPOQ-ZRDIBKRKSA-N -1 0 301.386 3.656 20 0 DHADRM CC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1C ZINC001602772582 971505140 /nfs/dbraw/zinc/50/51/40/971505140.db2.gz IYDLAHCUHXUOQC-UHFFFAOYSA-N -1 0 317.385 3.561 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1c(F)cccc1Cl ZINC000013432567 948781642 /nfs/dbraw/zinc/78/16/42/948781642.db2.gz LGRKYIQWILJIHW-UHFFFAOYSA-N -1 0 321.735 3.667 20 0 DHADRM CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001589565343 948860515 /nfs/dbraw/zinc/86/05/15/948860515.db2.gz VCKJURZJDHIFLN-SJORKVTESA-N -1 0 311.381 3.518 20 0 DHADRM CCN(Cc1cccs1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000048971080 948907664 /nfs/dbraw/zinc/90/76/64/948907664.db2.gz ZHSNBFXOUVMZOC-UHFFFAOYSA-N -1 0 304.371 3.500 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358611127 971532449 /nfs/dbraw/zinc/53/24/49/971532449.db2.gz MXKIJBQLXQLFNI-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001595215630 949225195 /nfs/dbraw/zinc/22/51/95/949225195.db2.gz VCWKJPBINOXXMU-CRAIPNDOSA-N -1 0 323.392 3.526 20 0 DHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589622296 949430294 /nfs/dbraw/zinc/43/02/94/949430294.db2.gz ZMJQRLVXLIXDSW-XJKSGUPXSA-N -1 0 319.401 3.617 20 0 DHADRM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589627266 949506076 /nfs/dbraw/zinc/50/60/76/949506076.db2.gz LJSNNGGRSWNUAN-SFHVURJKSA-N -1 0 323.392 3.670 20 0 DHADRM O=C([O-])c1cccc(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC001595248791 949530392 /nfs/dbraw/zinc/53/03/92/949530392.db2.gz IBMJMTHPJAQSHN-KRWDZBQOSA-N -1 0 323.327 3.515 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC001595248923 949533097 /nfs/dbraw/zinc/53/30/97/949533097.db2.gz QRSRXPAVAHFWNO-JKSUJKDBSA-N -1 0 313.328 3.656 20 0 DHADRM CCC[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001589630863 949535950 /nfs/dbraw/zinc/53/59/50/949535950.db2.gz QAKFAIZBGOSYCB-NHYWBVRUSA-N -1 0 323.820 3.688 20 0 DHADRM CCC[C@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001589630861 949536457 /nfs/dbraw/zinc/53/64/57/949536457.db2.gz QAKFAIZBGOSYCB-ABAIWWIYSA-N -1 0 323.820 3.688 20 0 DHADRM C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1Cl ZINC001602806552 971590754 /nfs/dbraw/zinc/59/07/54/971590754.db2.gz MSAIOMKITTXYAG-PHDIDXHHSA-N -1 0 324.591 3.545 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589637259 949624226 /nfs/dbraw/zinc/62/42/26/949624226.db2.gz ASVCKPWBMDBTOK-ZBFHGGJFSA-N -1 0 318.417 3.543 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589637483 949628529 /nfs/dbraw/zinc/62/85/29/949628529.db2.gz IXUNDMSIVWAXQN-BMFZPTHFSA-N -1 0 309.450 3.600 20 0 DHADRM CCCC[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(C)C ZINC001589639211 949652138 /nfs/dbraw/zinc/65/21/38/949652138.db2.gz OMGSJUQPRQSZMI-LPHOPBHVSA-N -1 0 319.445 3.608 20 0 DHADRM CCCCC1CCC(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589639764 949671333 /nfs/dbraw/zinc/67/13/33/949671333.db2.gz KONUNSPUMNKFOD-JTTJXQCZSA-N -1 0 307.434 3.663 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589640561 949685833 /nfs/dbraw/zinc/68/58/33/949685833.db2.gz IUYJRXWDHSEARP-STRFDMGBSA-N -1 0 307.390 3.714 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589641595 949694445 /nfs/dbraw/zinc/69/44/45/949694445.db2.gz VIPNATIXCNGMME-LBPRGKRZSA-N -1 0 307.394 3.508 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001589644882 949712768 /nfs/dbraw/zinc/71/27/68/949712768.db2.gz CXWIQYSQGUDTFQ-CYBMUJFWSA-N -1 0 306.406 3.543 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)CC1CCC(c2ccccc2)CC1 ZINC001589662367 949871595 /nfs/dbraw/zinc/87/15/95/949871595.db2.gz LHDSSEMVRPURCZ-UHFFFAOYSA-N -1 0 317.429 3.674 20 0 DHADRM CCCN(CC(=O)[O-])c1nc2ccccc2c(-c2ccccc2)n1 ZINC001589672092 949941390 /nfs/dbraw/zinc/94/13/90/949941390.db2.gz RJSPQEYSBVXEDW-UHFFFAOYSA-N -1 0 321.380 3.598 20 0 DHADRM CCn1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cc2ccccc21 ZINC000237200599 949953847 /nfs/dbraw/zinc/95/38/47/949953847.db2.gz HYRCFHUFHUZLAF-UHFFFAOYSA-N -1 0 322.364 3.541 20 0 DHADRM CCCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589674390 949977834 /nfs/dbraw/zinc/97/78/34/949977834.db2.gz RNIYCPSNGXYVEN-LJQANCHMSA-N -1 0 315.413 3.545 20 0 DHADRM CCN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001589704009 950263020 /nfs/dbraw/zinc/26/30/20/950263020.db2.gz TUAZETFQQFXAFZ-CQSZACIVSA-N -1 0 317.429 3.598 20 0 DHADRM CC(C)(CCNC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000263174682 950310731 /nfs/dbraw/zinc/31/07/31/950310731.db2.gz ZAXHGBFKEAEWCQ-UHFFFAOYSA-N -1 0 319.445 3.653 20 0 DHADRM CCN(C(=O)c1ccc(C2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001589711491 950333477 /nfs/dbraw/zinc/33/34/77/950333477.db2.gz XLTNHPFBNKXASL-ZDUSSCGKSA-N -1 0 303.402 3.670 20 0 DHADRM CCN(Cc1ccc(Cl)cc1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001589736612 950544041 /nfs/dbraw/zinc/54/40/41/950544041.db2.gz GULKVRIUHAFHPA-UHFFFAOYSA-N -1 0 323.820 3.724 20 0 DHADRM CC(C)(C)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1(C)C ZINC001602859216 971708187 /nfs/dbraw/zinc/70/81/87/971708187.db2.gz AWMDWVJJRQRTMR-BFHYXJOUSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC000360284123 951136037 /nfs/dbraw/zinc/13/60/37/951136037.db2.gz KZAZEFZEJOHBIA-ZBFHGGJFSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC=CCCC1 ZINC001595011184 951243010 /nfs/dbraw/zinc/24/30/10/951243010.db2.gz JOFPNNVVEGDHJU-CVEARBPZSA-N -1 0 322.449 3.552 20 0 DHADRM CCOc1cc(F)ccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001592211696 951315240 /nfs/dbraw/zinc/31/52/40/951315240.db2.gz XTPJEKAVGWJKEQ-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM O=C([O-])CCCC(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC001595029220 951365618 /nfs/dbraw/zinc/36/56/18/951365618.db2.gz XHDSDXPAKUROCE-UHFFFAOYSA-N -1 0 314.366 3.643 20 0 DHADRM CCOc1cccc([C@H](CC)OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001592863303 951376363 /nfs/dbraw/zinc/37/63/63/951376363.db2.gz UZAWOMXBJGURTG-KSSFIOAISA-N -1 0 320.385 3.581 20 0 DHADRM O=C([O-])CCCCCNC(=O)c1cc(Cl)c(F)cc1Cl ZINC001595037769 951412354 /nfs/dbraw/zinc/41/23/54/951412354.db2.gz FBXLDXBZKHYZLC-UHFFFAOYSA-N -1 0 322.163 3.507 20 0 DHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]OC/C=C\Cl ZINC000812404990 1013112119 /nfs/dbraw/zinc/11/21/19/1013112119.db2.gz NSHHHAADSZRCDF-YAJNLLPGSA-N -1 0 324.591 3.561 20 0 DHADRM CCC1CCC(N(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)CC1 ZINC000683300495 1013112028 /nfs/dbraw/zinc/11/20/28/1013112028.db2.gz HWIBPEAGCCJFDX-UHFFFAOYSA-N -1 0 309.450 3.837 20 0 DHADRM O=C([O-])CSCc1oc2ccccc2c1Br ZINC001595129156 952027251 /nfs/dbraw/zinc/02/72/51/952027251.db2.gz ZKIMDHPQNZQDRM-UHFFFAOYSA-N -1 0 301.161 3.513 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC001594738909 953360311 /nfs/dbraw/zinc/36/03/11/953360311.db2.gz GRQHAWOJNWVPAY-INIZCTEOSA-N -1 0 324.380 3.700 20 0 DHADRM CC[C@@H](NC(=O)CCCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001593600689 953407092 /nfs/dbraw/zinc/40/70/92/953407092.db2.gz BARVMLMAZGIGDI-MRXNPFEDSA-N -1 0 319.445 3.676 20 0 DHADRM CCSCc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000417800273 953420916 /nfs/dbraw/zinc/42/09/16/953420916.db2.gz XXHBHZJWOLFHDR-UHFFFAOYSA-N -1 0 324.446 3.706 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC001593610277 953467038 /nfs/dbraw/zinc/46/70/38/953467038.db2.gz IVXDPVUAHGVPNE-HVTCIJQNSA-N -1 0 309.450 3.621 20 0 DHADRM CC(C)c1cc(C(=O)N(C)CCCC(=O)[O-])c(O)c(C(C)C)c1 ZINC000455750025 953514954 /nfs/dbraw/zinc/51/49/54/953514954.db2.gz IUJOMQQKWKYPTC-UHFFFAOYSA-N -1 0 321.417 3.576 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589285195 953558488 /nfs/dbraw/zinc/55/84/88/953558488.db2.gz STJWGLBFEPHCAR-FZMZJTMJSA-N -1 0 304.390 3.721 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589285196 953559098 /nfs/dbraw/zinc/55/90/98/953559098.db2.gz STJWGLBFEPHCAR-RISCZKNCSA-N -1 0 304.390 3.721 20 0 DHADRM C[C@@H]1C[C@H](CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC(C)(C)C1 ZINC001589285848 953570519 /nfs/dbraw/zinc/57/05/19/953570519.db2.gz HODFJFSNBDWNLE-RDBSUJKOSA-N -1 0 311.466 3.702 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC001589286039 953572849 /nfs/dbraw/zinc/57/28/49/953572849.db2.gz LUYKKXBNVKRIIH-IXYNUQLISA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)(c1ccccc1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC001602959161 971941095 /nfs/dbraw/zinc/94/10/95/971941095.db2.gz SKJZKZNOCDOCRE-OAQYLSRUSA-N -1 0 302.395 3.569 20 0 DHADRM C[C@H]1C[C@H]1N(CCOc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589296960 953654949 /nfs/dbraw/zinc/65/49/49/953654949.db2.gz UAUPGAQNDOCUFM-WMLDXEAASA-N -1 0 311.381 3.679 20 0 DHADRM CCc1nc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2s1 ZINC001593651708 953711730 /nfs/dbraw/zinc/71/17/30/953711730.db2.gz YOGBPHNODQPCQI-CYBMUJFWSA-N -1 0 320.414 3.544 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589310069 953780710 /nfs/dbraw/zinc/78/07/10/953780710.db2.gz CIZPBCBKLBDYPO-MWQQHZPXSA-N -1 0 323.477 3.702 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC001594809524 953803461 /nfs/dbraw/zinc/80/34/61/953803461.db2.gz ZDINLYOEURATAY-MRXNPFEDSA-N -1 0 310.353 3.658 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000630148193 953840853 /nfs/dbraw/zinc/84/08/53/953840853.db2.gz LYSJJTSYTSISHA-HZPDHXFCSA-N -1 0 317.429 3.578 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1 ZINC000630305025 953851571 /nfs/dbraw/zinc/85/15/71/953851571.db2.gz FLVUHOIXUBVILP-VQTKUKTRSA-N -1 0 301.386 3.512 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000630555412 953856360 /nfs/dbraw/zinc/85/63/60/953856360.db2.gz LKEQGRLLOFYIQB-NEPJUHHUSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000630555413 953856589 /nfs/dbraw/zinc/85/65/89/953856589.db2.gz LKEQGRLLOFYIQB-NWDGAFQWSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)[C@H]1C(=O)[O-] ZINC001589328995 953938832 /nfs/dbraw/zinc/93/88/32/953938832.db2.gz KRKGGNCPPRALAC-SUMWQHHRSA-N -1 0 315.413 3.670 20 0 DHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2csc3ccccc23)CC1 ZINC000647699135 953968248 /nfs/dbraw/zinc/96/82/48/953968248.db2.gz YOFPQQNJTCNBOB-UHFFFAOYSA-N -1 0 318.398 3.620 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000647742084 953972608 /nfs/dbraw/zinc/97/26/08/953972608.db2.gz AFCDIGPFZPOZPI-AEGPPILISA-N -1 0 315.413 3.664 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1nc(C2CCCCCC2)cs1)C1CC1 ZINC001594838118 954045742 /nfs/dbraw/zinc/04/57/42/954045742.db2.gz KIBFWNUZQFHFDL-ZDUSSCGKSA-N -1 0 322.430 3.630 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001589347716 954060614 /nfs/dbraw/zinc/06/06/14/954060614.db2.gz HJJYLWIHKGVQSK-DYVFJYSZSA-N -1 0 315.413 3.527 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333433 954164276 /nfs/dbraw/zinc/16/42/76/954164276.db2.gz OURANQDJWTUVDT-ZWKOTPCHSA-N -1 0 323.392 3.682 20 0 DHADRM CC(C)CC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653333610 954165496 /nfs/dbraw/zinc/16/54/96/954165496.db2.gz RDANMEDQNMPLBZ-CVEARBPZSA-N -1 0 315.413 3.632 20 0 DHADRM C[C@@H]1CCc2c(sc(NC(=O)C=C3CCC3)c2C(=O)[O-])C1 ZINC001589364380 954177114 /nfs/dbraw/zinc/17/71/14/954177114.db2.gz RSJZJKJAYMGWPQ-SECBINFHSA-N -1 0 305.399 3.620 20 0 DHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1cc2ccccc2s1 ZINC000655542763 954196727 /nfs/dbraw/zinc/19/67/27/954196727.db2.gz BOHYAISCVWCKPX-NSHDSACASA-N -1 0 305.399 3.724 20 0 DHADRM CC(C)(C)c1cc(NC(=O)CCCCC(=O)[O-])n(C(C)(C)C)n1 ZINC000655551647 954199725 /nfs/dbraw/zinc/19/97/25/954199725.db2.gz CRWYERSQPPIKDU-UHFFFAOYSA-N -1 0 323.437 3.519 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000656473456 954300564 /nfs/dbraw/zinc/30/05/64/954300564.db2.gz NXCXGRXSMKRDSA-LLVKDONJSA-N -1 0 323.801 3.634 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000656475449 954300990 /nfs/dbraw/zinc/30/09/90/954300990.db2.gz UTBZJIZTSZOHTJ-IUODEOHRSA-N -1 0 309.312 3.539 20 0 DHADRM CCC[C@@H](C(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659131613 954309947 /nfs/dbraw/zinc/30/99/47/954309947.db2.gz RJDPAKIMSAZUQG-CQSZACIVSA-N -1 0 311.809 3.595 20 0 DHADRM CCC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659137601 954310072 /nfs/dbraw/zinc/31/00/72/954310072.db2.gz LGKSESAPULIFKC-RHSMWYFYSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC000659232162 954317941 /nfs/dbraw/zinc/31/79/41/954317941.db2.gz GDUKVIGFCURZFX-MRXNPFEDSA-N -1 0 301.386 3.570 20 0 DHADRM C[C@H](NC(=O)C1CC2(C1)CCCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767524 954366247 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Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000668300171 954566714 /nfs/dbraw/zinc/56/67/14/954566714.db2.gz CQFXEFVFVLOBFM-RDTXWAMCSA-N -1 0 323.392 3.711 20 0 DHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC000669435385 954570878 /nfs/dbraw/zinc/57/08/78/954570878.db2.gz DPELBIZRZKQCMX-HIFRSBDPSA-N -1 0 303.402 3.664 20 0 DHADRM C[C@@H]1c2sccc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589418221 954576432 /nfs/dbraw/zinc/57/64/32/954576432.db2.gz PXCKSQVEULKAKZ-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000675974155 954580887 /nfs/dbraw/zinc/58/08/87/954580887.db2.gz XEEXUUHHTSMLBH-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM CC[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCC(C)CC1 ZINC001589426898 954634906 /nfs/dbraw/zinc/63/49/06/954634906.db2.gz SARCWTAXSAOKLQ-YMAMQOFZSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCC(C)CC1 ZINC001589426897 954635459 /nfs/dbraw/zinc/63/54/59/954635459.db2.gz SARCWTAXSAOKLQ-NRXISQOPSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1csc(C2CCCCC2)c1 ZINC001589438052 954694814 /nfs/dbraw/zinc/69/48/14/954694814.db2.gz ATKFVUHRTGHJJC-CYBMUJFWSA-N -1 0 309.431 3.731 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001589446487 954766126 /nfs/dbraw/zinc/76/61/26/954766126.db2.gz APLHRAPGRKBXEU-KJBLDROHSA-N -1 0 309.450 3.599 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589446969 954773100 /nfs/dbraw/zinc/77/31/00/954773100.db2.gz HVQGBZXTZKUWHE-LBPRGKRZSA-N -1 0 306.406 3.650 20 0 DHADRM CCC(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589449245 954791805 /nfs/dbraw/zinc/79/18/05/954791805.db2.gz XIEHPDVYIFOHHZ-UHFFFAOYSA-N -1 0 316.760 3.735 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001589451225 954801063 /nfs/dbraw/zinc/80/10/63/954801063.db2.gz DWSFZBIWYGWAJY-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589452614 954814585 /nfs/dbraw/zinc/81/45/85/954814585.db2.gz ZVYSELXWBYKDFS-UHFFFAOYSA-N -1 0 312.369 3.720 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589456496 954830457 /nfs/dbraw/zinc/83/04/57/954830457.db2.gz MHJCKWGZCBMARH-KDOFPFPSSA-N -1 0 305.418 3.709 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1(C)C ZINC001603002807 972050061 /nfs/dbraw/zinc/05/00/61/972050061.db2.gz LYGASGWVSSGNRV-INIZCTEOSA-N -1 0 318.417 3.602 20 0 DHADRM CC[C@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001589464002 954882695 /nfs/dbraw/zinc/88/26/95/954882695.db2.gz MFQDWZOVVKOVGM-CYBMUJFWSA-N -1 0 312.369 3.611 20 0 DHADRM O=C([O-])C1CN(Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC001594951956 954962441 /nfs/dbraw/zinc/96/24/41/954962441.db2.gz XRDCQLPQAYFMFQ-UHFFFAOYSA-N -1 0 317.772 3.649 20 0 DHADRM O=C([O-])/C=C/c1cc(C(=O)OCc2c(F)cccc2Cl)co1 ZINC001594970341 955106421 /nfs/dbraw/zinc/10/64/21/955106421.db2.gz HOAWKUFXWKPRSC-SNAWJCMRSA-N -1 0 324.691 3.527 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001603016545 972071437 /nfs/dbraw/zinc/07/14/37/972071437.db2.gz XXBRWCIJQAWRQL-QGZVFWFLSA-N -1 0 315.413 3.731 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603021584 972081136 /nfs/dbraw/zinc/08/11/36/972081136.db2.gz PYLKZQRFEKKTKG-AWEZNQCLSA-N -1 0 319.405 3.602 20 0 DHADRM C[C@H](CC(=O)[O-])Nc1ncnc2sc(-c3ccccc3)cc21 ZINC001589009335 955386819 /nfs/dbraw/zinc/38/68/19/955386819.db2.gz SXMPMMBMTOYZCE-SNVBAGLBSA-N -1 0 313.382 3.633 20 0 DHADRM O=C([O-])[C@@H]1CCN(CC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000818329087 955393309 /nfs/dbraw/zinc/39/33/09/955393309.db2.gz NARBNFNFIJUPRH-CMPLNLGQSA-N -1 0 314.212 3.649 20 0 DHADRM Cc1sc([C@@H](C)NCC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC001594512051 955397351 /nfs/dbraw/zinc/39/73/51/955397351.db2.gz HBRQRUNXMLHZIH-MRVPVSSYSA-N -1 0 310.806 3.507 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589013055 955397491 /nfs/dbraw/zinc/39/74/91/955397491.db2.gz NOBUYARWYRLANO-AUUYWEPGSA-N -1 0 317.429 3.709 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589013056 955397563 /nfs/dbraw/zinc/39/75/63/955397563.db2.gz NOBUYARWYRLANO-IFXJQAMLSA-N -1 0 317.429 3.709 20 0 DHADRM Cc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000386989768 972096167 /nfs/dbraw/zinc/09/61/67/972096167.db2.gz FIFDMVDEJWWZET-UHFFFAOYSA-N -1 0 319.357 3.563 20 0 DHADRM C[C@H](CN(C)C(=O)C1(C(=O)[O-])CCCCC1)C1CCCCC1 ZINC001589021835 955477773 /nfs/dbraw/zinc/47/77/73/955477773.db2.gz GFORLKLFBYBLOP-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM C[C@@H](CN(C)C(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001589028536 955509474 /nfs/dbraw/zinc/50/94/74/955509474.db2.gz JAWDFFPQZOHENB-ZDUSSCGKSA-N -1 0 312.369 3.538 20 0 DHADRM O=C([O-])CCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000843331163 955636032 /nfs/dbraw/zinc/63/60/32/955636032.db2.gz JAWACSZDSFLOGW-SFHVURJKSA-N -1 0 323.392 3.568 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCCC(=O)[O-])C1CC1 ZINC000844244489 955657989 /nfs/dbraw/zinc/65/79/89/955657989.db2.gz SWPGFSMSPSFCHK-NSHDSACASA-N -1 0 309.793 3.647 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000387332955 972118724 /nfs/dbraw/zinc/11/87/24/972118724.db2.gz ULGSFXYGQLUXNK-ZBEGNZNMSA-N -1 0 309.381 3.530 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N(CCC(=O)[O-])C2CC2)cc1 ZINC000683305415 1013136953 /nfs/dbraw/zinc/13/69/53/1013136953.db2.gz OLVVSNJPHAEMFG-ONEGZZNKSA-N -1 0 315.413 3.679 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000852941628 955855056 /nfs/dbraw/zinc/85/50/56/955855056.db2.gz RUZDNJLWBQQBME-ZWKOTPCHSA-N -1 0 323.392 3.585 20 0 DHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589084036 955887286 /nfs/dbraw/zinc/88/72/86/955887286.db2.gz WDCUJHPPSCAKEP-ZDUSSCGKSA-N -1 0 322.364 3.614 20 0 DHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(C2CC2)c1 ZINC001589088418 955918866 /nfs/dbraw/zinc/91/88/66/955918866.db2.gz UWPXJKUBZNFPJI-SJCJKPOMSA-N -1 0 315.413 3.632 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000864108159 955936794 /nfs/dbraw/zinc/93/67/94/955936794.db2.gz NMBQJRGKFJJTIW-FNORWQNLSA-N -1 0 317.385 3.564 20 0 DHADRM Cc1cc(F)c(S(=O)(=O)Nc2c(C)cccc2F)cc1F ZINC000180742505 1013140180 /nfs/dbraw/zinc/14/01/80/1013140180.db2.gz MQNJGENXIFUIEH-UHFFFAOYSA-N -1 0 315.316 3.522 20 0 DHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001589117277 956102011 /nfs/dbraw/zinc/10/20/11/956102011.db2.gz ZCMKSIVRKRLUQL-VIFPVBQESA-N -1 0 321.735 3.668 20 0 DHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000388565773 972177746 /nfs/dbraw/zinc/17/77/46/972177746.db2.gz BJCBLMZKIYXBPH-ZDUSSCGKSA-N -1 0 315.394 3.584 20 0 DHADRM CC(C)(CC(=O)N1CCCC[C@H]1CCC(=O)[O-])CC(F)(F)F ZINC000901578195 956351598 /nfs/dbraw/zinc/35/15/98/956351598.db2.gz PUENMMWYXHVTTJ-NSHDSACASA-N -1 0 323.355 3.601 20 0 DHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000901710183 956432391 /nfs/dbraw/zinc/43/23/91/956432391.db2.gz CAXDBAIYSWGMDX-BRWVUGGUSA-N -1 0 315.413 3.584 20 0 DHADRM C[C@@H](SCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169584 956461532 /nfs/dbraw/zinc/46/15/32/956461532.db2.gz JJPCMONLRZEUKX-CYBMUJFWSA-N -1 0 321.442 3.559 20 0 DHADRM CC(C)c1ccccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000846780196 1032066615 /nfs/dbraw/zinc/06/66/15/1032066615.db2.gz PRHOHPOUOVBNJF-LLVKDONJSA-N -1 0 304.415 3.816 20 0 DHADRM C[C@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC001589203394 956647967 /nfs/dbraw/zinc/64/79/67/956647967.db2.gz NEGRFNQBKJTRFQ-FQEVSTJZSA-N -1 0 324.376 3.722 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)CC(C2CCC2)C2CCC2)c1 ZINC001594676016 956664259 /nfs/dbraw/zinc/66/42/59/956664259.db2.gz SMHCGMANIOSKPZ-UHFFFAOYSA-N -1 0 315.413 3.608 20 0 DHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001603120776 972205470 /nfs/dbraw/zinc/20/54/70/972205470.db2.gz UCESQRNUIGYNAX-SJKOYZFVSA-N -1 0 321.392 3.674 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001589221269 956777731 /nfs/dbraw/zinc/77/77/31/956777731.db2.gz VRGBBAVYSZXMTB-ALCCZGGFSA-N -1 0 319.401 3.714 20 0 DHADRM CC1(C)CCC[C@H]1CCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589226086 956797172 /nfs/dbraw/zinc/79/71/72/956797172.db2.gz XGHFADZUAFCTAJ-AWEZNQCLSA-N -1 0 318.417 3.652 20 0 DHADRM CC1(C)CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC(C)(C)C1 ZINC001589226191 956798374 /nfs/dbraw/zinc/79/83/74/956798374.db2.gz CGMLYKPYKCZLFS-AWEZNQCLSA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2c(F)cccc2F)c1 ZINC000013167637 956948013 /nfs/dbraw/zinc/94/80/13/956948013.db2.gz QYSVEGPEKCKVMH-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000907708910 956980564 /nfs/dbraw/zinc/98/05/64/956980564.db2.gz CAJIGLONYZQECM-KGLIPLIRSA-N -1 0 317.429 3.557 20 0 DHADRM C[C@@H](CCNC(=O)c1coc(/C=C\C(=O)[O-])c1)CC(C)(C)C ZINC001603142402 972233929 /nfs/dbraw/zinc/23/39/29/972233929.db2.gz AYEFPCFNUMZYMN-FJOGCWAESA-N -1 0 307.390 3.570 20 0 DHADRM Cc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(=O)[O-])c1C ZINC000019999546 957124536 /nfs/dbraw/zinc/12/45/36/957124536.db2.gz IJEZYIWTKWXVLG-UHFFFAOYSA-N -1 0 323.801 3.898 20 0 DHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000020362511 957139460 /nfs/dbraw/zinc/13/94/60/957139460.db2.gz ZHIPVCRBSBDMTR-NSHDSACASA-N -1 0 301.367 3.504 20 0 DHADRM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000024098802 957160317 /nfs/dbraw/zinc/16/03/17/957160317.db2.gz ZNJHLQOEXMADHF-QGZVFWFLSA-N -1 0 324.380 3.607 20 0 DHADRM O=C([O-])c1cccnc1SCCSc1ccc(F)cc1 ZINC000036967624 957248217 /nfs/dbraw/zinc/24/82/17/957248217.db2.gz MHZMZUNMUBAYGY-UHFFFAOYSA-N -1 0 309.387 3.803 20 0 DHADRM CCc1sc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1C ZINC000037404724 957276905 /nfs/dbraw/zinc/27/69/05/957276905.db2.gz CSHASVKKRHMQPQ-UHFFFAOYSA-N -1 0 309.412 3.939 20 0 DHADRM O=C([O-])c1cccc2c1CCCN2Cc1ccccc1Cl ZINC000037595858 957312811 /nfs/dbraw/zinc/31/28/11/957312811.db2.gz KMMXCCUNKYIRKK-UHFFFAOYSA-N -1 0 301.773 3.991 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000037598788 957315280 /nfs/dbraw/zinc/31/52/80/957315280.db2.gz FJMWZSCMKOXOIK-SNVBAGLBSA-N -1 0 310.444 3.557 20 0 DHADRM Cc1ccccc1[C@H](Nc1cccc(Br)c1)C(=O)[O-] ZINC000037960745 957339120 /nfs/dbraw/zinc/33/91/20/957339120.db2.gz VMVHRCCRGGIANX-AWEZNQCLSA-N -1 0 320.186 3.995 20 0 DHADRM Cc1cccc(N[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000037957984 957339244 /nfs/dbraw/zinc/33/92/44/957339244.db2.gz YMVADGQCUIAINV-AWEZNQCLSA-N -1 0 320.186 3.995 20 0 DHADRM O=C([O-])CCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000039433153 957358775 /nfs/dbraw/zinc/35/87/75/957358775.db2.gz YFULBSABQLIMLH-UHFFFAOYSA-N -1 0 316.197 3.968 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040561543 957376011 /nfs/dbraw/zinc/37/60/11/957376011.db2.gz NVCTXWXAIFJYDV-LLVKDONJSA-N -1 0 310.781 3.835 20 0 DHADRM O=C([O-])c1ccc(OCCOc2ccccc2F)c(Cl)c1 ZINC000042271409 957407364 /nfs/dbraw/zinc/40/73/64/957407364.db2.gz BPBMMXZXQDJBOC-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000048787123 957461007 /nfs/dbraw/zinc/46/10/07/957461007.db2.gz HHRAUHUCOBEECW-UHFFFAOYSA-N -1 0 309.774 3.914 20 0 DHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000048971081 957471509 /nfs/dbraw/zinc/47/15/09/957471509.db2.gz WYQFIVFGGHEMNC-UHFFFAOYSA-N -1 0 304.371 3.500 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CSc1ccc(C(F)(F)F)cn1 ZINC000051361149 957504399 /nfs/dbraw/zinc/50/43/99/957504399.db2.gz SKSMFEGLMCWUOY-UHFFFAOYSA-N -1 0 317.288 3.992 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)c1ccsc1 ZINC000061369808 957579317 /nfs/dbraw/zinc/57/93/17/957579317.db2.gz HWVTVANVWYSLAB-SNVBAGLBSA-N -1 0 304.371 3.637 20 0 DHADRM CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000069549898 957651508 /nfs/dbraw/zinc/65/15/08/957651508.db2.gz PNUDUTQDPZFILL-HNNXBMFYSA-N -1 0 313.781 3.555 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC001574788721 957796697 /nfs/dbraw/zinc/79/66/97/957796697.db2.gz WAYGTZHSQSRLRT-DJLDLDEBSA-N -1 0 311.740 3.552 20 0 DHADRM Cc1cc2cc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)ccc2[nH]1 ZINC001594289088 957807293 /nfs/dbraw/zinc/80/72/93/957807293.db2.gz PIJBZMKOBNBAJL-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM O=C([O-])c1ccc(CN2CCCc3cc(F)c(F)cc32)cc1 ZINC001574799301 957828653 /nfs/dbraw/zinc/82/86/53/957828653.db2.gz GBSMWAORWYANFE-UHFFFAOYSA-N -1 0 303.308 3.616 20 0 DHADRM Cc1cc(Cl)ccc1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594307962 957985838 /nfs/dbraw/zinc/98/58/38/957985838.db2.gz GZSMSTJCZSSVCT-HWKANZROSA-N -1 0 306.701 3.558 20 0 DHADRM C[C@H](c1ccc(F)cc1F)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000390948007 972309856 /nfs/dbraw/zinc/30/98/56/972309856.db2.gz QJVLPCZEUWTWCX-BDJLRTHQSA-N -1 0 317.335 3.710 20 0 DHADRM O=C([O-])[C@H]1CN(Cc2ccc(Cl)s2)Cc2ccccc21 ZINC000087612160 958021687 /nfs/dbraw/zinc/02/16/87/958021687.db2.gz JZZVFUYFJZVJBL-ZDUSSCGKSA-N -1 0 307.802 3.586 20 0 DHADRM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)s2)Cc2ccccc21 ZINC000087612161 958021830 /nfs/dbraw/zinc/02/18/30/958021830.db2.gz JZZVFUYFJZVJBL-CYBMUJFWSA-N -1 0 307.802 3.586 20 0 DHADRM Cc1cc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)ccc1C(=O)[O-] ZINC001594316392 958066819 /nfs/dbraw/zinc/06/68/19/958066819.db2.gz RLIFRABRVKESDH-AFAVFJNCSA-N -1 0 309.365 3.681 20 0 DHADRM Cc1cc(NC(=O)CCc2ccc(F)cc2F)ccc1C(=O)[O-] ZINC001594317005 958076235 /nfs/dbraw/zinc/07/62/35/958076235.db2.gz HMSAHYAONNMQQG-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM O=C(c1cccc(Br)c1[O-])N1CC2(C1)CCCCC2 ZINC000518238299 1013166545 /nfs/dbraw/zinc/16/65/45/1013166545.db2.gz JESLRUVYYCIVDZ-UHFFFAOYSA-N -1 0 324.218 3.561 20 0 DHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC000261963267 1013166863 /nfs/dbraw/zinc/16/68/63/1013166863.db2.gz YDDUZTSVMXEBKX-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM Cc1cc2ccccc2c(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001594320634 958127242 /nfs/dbraw/zinc/12/72/42/958127242.db2.gz OPPXRJVQIULFFL-UHFFFAOYSA-N -1 0 312.369 3.667 20 0 DHADRM Cc1cc(NCc2ccc3c(c2)OC(F)(F)O3)ccc1C(=O)[O-] ZINC001594325856 958171376 /nfs/dbraw/zinc/17/13/76/958171376.db2.gz NYIZRSCRJBEJBO-UHFFFAOYSA-N -1 0 321.279 3.627 20 0 DHADRM Cc1cc2ccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cn2c1 ZINC001594331876 958234273 /nfs/dbraw/zinc/23/42/73/958234273.db2.gz DJZQJYCJBIPCPB-UHFFFAOYSA-N -1 0 322.364 3.517 20 0 DHADRM Cc1ccc(-c2csc(CN3[C@H](C)CC[C@@H]3C(=O)[O-])n2)cc1 ZINC001594335836 958265579 /nfs/dbraw/zinc/26/55/79/958265579.db2.gz MOXDZBLJRNPCJU-IUODEOHRSA-N -1 0 316.426 3.556 20 0 DHADRM Cc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])c(Cl)c1Cl ZINC001594347402 958327710 /nfs/dbraw/zinc/32/77/10/958327710.db2.gz HWDKUHQBPYUYTI-UHFFFAOYSA-N -1 0 318.200 3.533 20 0 DHADRM C[C@@](NC(=O)C[C@H]1CCCCC1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603220635 972342035 /nfs/dbraw/zinc/34/20/35/972342035.db2.gz VGDDZCWOOTXWLC-BEFAXECRSA-N -1 0 317.429 3.709 20 0 DHADRM COc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1SC ZINC001594105886 958467482 /nfs/dbraw/zinc/46/74/82/958467482.db2.gz PVFVQHXVIBRFHR-UHFFFAOYSA-N -1 0 303.383 3.727 20 0 DHADRM Cc1ccc(N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC001594367485 958502392 /nfs/dbraw/zinc/50/23/92/958502392.db2.gz SHHXNUPWTCZKNS-LUAWRHEFSA-N -1 0 313.353 3.741 20 0 DHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1C ZINC001594370934 958542309 /nfs/dbraw/zinc/54/23/09/958542309.db2.gz MDLUBFHPNJPTOU-ZYHUDNBSSA-N -1 0 324.808 3.674 20 0 DHADRM C=Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588478470 958566236 /nfs/dbraw/zinc/56/62/36/958566236.db2.gz BBNYVOIMJIMUOO-FPMFFAJLSA-N -1 0 316.401 3.587 20 0 DHADRM C/C(=C/C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1C ZINC001588479719 958578693 /nfs/dbraw/zinc/57/86/93/958578693.db2.gz BHLOKQFEJIXFAO-SQFISAMPSA-N -1 0 315.413 3.502 20 0 DHADRM C/C(=C\C(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1 ZINC001588480282 958584885 /nfs/dbraw/zinc/58/48/85/958584885.db2.gz ODSQILKRKPZPMR-OUKQBFOZSA-N -1 0 319.376 3.523 20 0 DHADRM Cc1ccc(OCc2nc(CSCCC(=O)[O-])cs2)cc1 ZINC001594375799 958585675 /nfs/dbraw/zinc/58/56/75/958585675.db2.gz JAGDQKRIJBOKEJ-UHFFFAOYSA-N -1 0 323.439 3.738 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588487261 958621187 /nfs/dbraw/zinc/62/11/87/958621187.db2.gz FJUMLMLMFYOGFN-UAJRFJEFSA-N -1 0 321.804 3.598 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC001573389838 958687893 /nfs/dbraw/zinc/68/78/93/958687893.db2.gz HMORJSOTIXKHHF-NRXISQOPSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1cccc(Cl)c1Cl ZINC001573390238 958690877 /nfs/dbraw/zinc/69/08/77/958690877.db2.gz IAACVENQQSODCJ-VIFPVBQESA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001573395780 958717611 /nfs/dbraw/zinc/71/76/11/958717611.db2.gz OQNADIDCBBXYMP-JKSUJKDBSA-N -1 0 317.429 3.576 20 0 DHADRM Cc1cccc([C@H](NC(=O)CCC2CCCCC2)C(=O)[O-])c1 ZINC001594392046 958739053 /nfs/dbraw/zinc/73/90/53/958739053.db2.gz NRCKCTRKXCZBMH-KRWDZBQOSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001594392797 958747495 /nfs/dbraw/zinc/74/74/95/958747495.db2.gz KPFYOBKASNQBGM-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM O=C([O-])C1(NC(=O)c2coc3ccc(Cl)cc23)CCCCC1 ZINC001605735990 972374608 /nfs/dbraw/zinc/37/46/08/972374608.db2.gz MCLHJKTWZXXWGS-UHFFFAOYSA-N -1 0 321.760 3.604 20 0 DHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594400715 958854716 /nfs/dbraw/zinc/85/47/16/958854716.db2.gz OVUSDFWHOSQDBN-KRWDZBQOSA-N -1 0 319.445 3.645 20 0 DHADRM CC(C)(C)c1coc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001573464222 958935513 /nfs/dbraw/zinc/93/55/13/958935513.db2.gz YENISTPCYGCYEY-CYBMUJFWSA-N -1 0 314.385 3.551 20 0 DHADRM Cc1cccc2cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc21 ZINC001594412706 958958672 /nfs/dbraw/zinc/95/86/72/958958672.db2.gz LTEITBCFBAFWRW-CYBMUJFWSA-N -1 0 319.426 3.686 20 0 DHADRM Cc1cccc2ncnc(Nc3cccc(CCC(=O)[O-])c3)c12 ZINC001594413320 958967472 /nfs/dbraw/zinc/96/74/72/958967472.db2.gz GTLYKPRUUQUVLB-UHFFFAOYSA-N -1 0 307.353 3.699 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001573484547 958985752 /nfs/dbraw/zinc/98/57/52/958985752.db2.gz LADRJVZDALSGAL-CYBMUJFWSA-N -1 0 304.390 3.570 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001573489982 959010460 /nfs/dbraw/zinc/01/04/60/959010460.db2.gz SYVNAGAFGSTTJY-JTQLQIEISA-N -1 0 323.698 3.654 20 0 DHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594417706 959022589 /nfs/dbraw/zinc/02/25/89/959022589.db2.gz PHTXTLQMBKATLE-HOCLYGCPSA-N -1 0 319.445 3.569 20 0 DHADRM C[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588560361 959096203 /nfs/dbraw/zinc/09/62/03/959096203.db2.gz JMMWITWGWBAVIV-NSHDSACASA-N -1 0 317.772 3.709 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001573517055 959107857 /nfs/dbraw/zinc/10/78/57/959107857.db2.gz QHMAHKLLFQFVBR-OAHLLOKOSA-N -1 0 309.450 3.552 20 0 DHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CCC1 ZINC001588563071 959110223 /nfs/dbraw/zinc/11/02/23/959110223.db2.gz OQIFEHDYUQFYDB-SECBINFHSA-N -1 0 307.415 3.700 20 0 DHADRM C[C@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588562980 959110693 /nfs/dbraw/zinc/11/06/93/959110693.db2.gz NFTTWNSTBIUVFL-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)N(CC1CCCCC1)CC1CCCCC1 ZINC001588563692 959116374 /nfs/dbraw/zinc/11/63/74/959116374.db2.gz YMENHKRJKIKTRU-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594425527 959117136 /nfs/dbraw/zinc/11/71/36/959117136.db2.gz LZIULJASPKDDIH-UPJWGTAASA-N -1 0 323.458 3.556 20 0 DHADRM CSCc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001594187871 959137466 /nfs/dbraw/zinc/13/74/66/959137466.db2.gz BQJWBQPGJCQWIX-UHFFFAOYSA-N -1 0 316.378 3.605 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001573527815 959154401 /nfs/dbraw/zinc/15/44/01/959154401.db2.gz YQPGCYXZEWANNW-SNVBAGLBSA-N -1 0 323.776 3.563 20 0 DHADRM CSc1ccc(/C=C\c2nc(C3(C(=O)[O-])CCC3)no2)s1 ZINC001594194762 959189357 /nfs/dbraw/zinc/18/93/57/959189357.db2.gz LOTQLMWPGGWWFF-HYXAFXHYSA-N -1 0 322.411 3.530 20 0 DHADRM C[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1Cl ZINC001588576012 959229080 /nfs/dbraw/zinc/22/90/80/959229080.db2.gz MSAIOMKITTXYAG-WDSKDSINSA-N -1 0 324.591 3.545 20 0 DHADRM Cc1coc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc12 ZINC001594436098 959236126 /nfs/dbraw/zinc/23/61/26/959236126.db2.gz SJFLSUZZQBKWIM-HYXAFXHYSA-N -1 0 311.293 3.684 20 0 DHADRM Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC3)cc2)cc1 ZINC000165028128 959269823 /nfs/dbraw/zinc/26/98/23/959269823.db2.gz RCEOHZJVRIMTON-UHFFFAOYSA-N -1 0 311.337 3.591 20 0 DHADRM C[C@@H](C(=O)[O-])N(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)C1CC1 ZINC001588598024 959400494 /nfs/dbraw/zinc/40/04/94/959400494.db2.gz YOYHQZWVVUKUJG-NSHDSACASA-N -1 0 319.449 3.514 20 0 DHADRM C[C@@](Cc1ccccc1)(NC(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC001573607752 959458045 /nfs/dbraw/zinc/45/80/45/959458045.db2.gz HWEZIKLLJOGZEW-FQEVSTJZSA-N -1 0 323.392 3.526 20 0 DHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000191136657 959541716 /nfs/dbraw/zinc/54/17/16/959541716.db2.gz DEDBIWAZNWQKBY-MRXNPFEDSA-N -1 0 317.429 3.858 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)Cc2ccccc2C(=O)[O-])C1(C)C ZINC001594245474 959561298 /nfs/dbraw/zinc/56/12/98/959561298.db2.gz QLXINMHZSVMZIB-DJJJIMSYSA-N -1 0 317.429 3.506 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1(C)C ZINC001594245486 959563515 /nfs/dbraw/zinc/56/35/15/959563515.db2.gz RMOHSRRYRXHZKQ-IYOUNJFTSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000191627828 959586475 /nfs/dbraw/zinc/58/64/75/959586475.db2.gz SVWUXNWNBGAOLS-UHFFFAOYSA-N -1 0 317.429 3.549 20 0 DHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192968371 959600590 /nfs/dbraw/zinc/60/05/90/959600590.db2.gz VRQWTVJIKIZUOE-IUODEOHRSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1nn(-c2ccccc2)cc1NCc1ccc(C(=O)[O-])s1 ZINC001594477293 959612292 /nfs/dbraw/zinc/61/22/92/959612292.db2.gz GGQPNVVJEJFWEG-UHFFFAOYSA-N -1 0 313.382 3.553 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCCC2(CCCCC2)CC1 ZINC001588632166 959620313 /nfs/dbraw/zinc/62/03/13/959620313.db2.gz ROSNQNWTQHAKHQ-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCCC2(CCCCC2)CC1 ZINC001588632167 959620582 /nfs/dbraw/zinc/62/05/82/959620582.db2.gz ROSNQNWTQHAKHQ-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 ZINC000211373362 959682843 /nfs/dbraw/zinc/68/28/43/959682843.db2.gz QMKUGHKTMDTGCE-YFHOEESVSA-N -1 0 316.740 3.700 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001588640795 959690193 /nfs/dbraw/zinc/69/01/93/959690193.db2.gz NOYJCKSDKXWRBI-OLZOCXBDSA-N -1 0 310.777 3.617 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC001573667887 959712508 /nfs/dbraw/zinc/71/25/08/959712508.db2.gz MOACFFMSHZJBGW-KRWDZBQOSA-N -1 0 317.316 3.525 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)C(=O)[O-] ZINC001588646242 959738699 /nfs/dbraw/zinc/73/86/99/959738699.db2.gz UINZJIWHNLUYFU-KKUMJFAQSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573689011 959753201 /nfs/dbraw/zinc/75/32/01/959753201.db2.gz BFZPPHYIZHWTHV-LJQANCHMSA-N -1 0 309.365 3.536 20 0 DHADRM CC(C)(C)CCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588651919 959775857 /nfs/dbraw/zinc/77/58/57/959775857.db2.gz ZIWXHZCBMJHQOE-GOSISDBHSA-N -1 0 305.418 3.709 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H]1CCC=CCCC1 ZINC001605768772 972458042 /nfs/dbraw/zinc/45/80/42/972458042.db2.gz JGUXQJSAWHYFDV-CYBMUJFWSA-N -1 0 302.374 3.643 20 0 DHADRM C[C@H]1C[C@H](CC(=O)Nc2cccnc2C(=O)[O-])CC(C)(C)C1 ZINC001573702372 959841754 /nfs/dbraw/zinc/84/17/54/959841754.db2.gz YYBNWVUBKCQYTR-NWDGAFQWSA-N -1 0 304.390 3.571 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588657262 960417220 /nfs/dbraw/zinc/41/72/20/960417220.db2.gz SPXPUSDNSYSAOT-UHFFFAOYSA-N -1 0 321.421 3.706 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000235749947 960488217 /nfs/dbraw/zinc/48/82/17/960488217.db2.gz AZKPHMMBLPIKGH-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC/C(=C/C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001573758211 960582066 /nfs/dbraw/zinc/58/20/66/960582066.db2.gz HBQCKDAWNHXTGG-HIZYVFIXSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001574266342 960586515 /nfs/dbraw/zinc/58/65/15/960586515.db2.gz KVVZOPMRQZSJGX-TZMCWYRMSA-N -1 0 309.450 3.693 20 0 DHADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cccc(Cl)c1F ZINC001574289114 960670815 /nfs/dbraw/zinc/67/08/15/960670815.db2.gz BFNDBWUXEXAARN-VIFPVBQESA-N -1 0 314.740 3.728 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC001573777915 960706376 /nfs/dbraw/zinc/70/63/76/960706376.db2.gz JUXDNXCZBQPCOY-CVEARBPZSA-N -1 0 317.429 3.578 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC001573777917 960707367 /nfs/dbraw/zinc/70/73/67/960707367.db2.gz JUXDNXCZBQPCOY-HOTGVXAUSA-N -1 0 317.429 3.578 20 0 DHADRM Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000236641381 960721777 /nfs/dbraw/zinc/72/17/77/960721777.db2.gz QUOUOHCFICPYOF-ZDUSSCGKSA-N -1 0 317.385 3.587 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001573785423 960734471 /nfs/dbraw/zinc/73/44/71/960734471.db2.gz UUEGBRUWDWDTBW-SECBINFHSA-N -1 0 315.772 3.547 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC001573785707 960735694 /nfs/dbraw/zinc/73/56/94/960735694.db2.gz XJAFMHSVSMWFBO-UHFFFAOYSA-N -1 0 324.446 3.587 20 0 DHADRM Cc1cc(CNC(=O)[C@H](C)CC2CCCCC2)oc1C(=O)[O-] ZINC001261843843 960769787 /nfs/dbraw/zinc/76/97/87/960769787.db2.gz UESJDVCAJLPTHF-GFCCVEGCSA-N -1 0 307.390 3.509 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(C)(C)CCC2(C)C)c1 ZINC001574315083 960777269 /nfs/dbraw/zinc/77/72/69/960777269.db2.gz ILLBRQXIVWIUEG-UHFFFAOYSA-N -1 0 303.402 3.734 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000236862923 960782158 /nfs/dbraw/zinc/78/21/58/960782158.db2.gz BNPLULHAKNJYRS-AMIZOPFISA-N -1 0 323.389 3.578 20 0 DHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001574318913 960810210 /nfs/dbraw/zinc/81/02/10/960810210.db2.gz BSTRCGXQLVRUFR-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@](C)(CC)CC(=O)[O-])cc1 ZINC000236996325 960829884 /nfs/dbraw/zinc/82/98/84/960829884.db2.gz IEXQCNYEIFBYQR-FZKQIMNGSA-N -1 0 305.418 3.502 20 0 DHADRM CC[C@H](CNC(=O)c1sc2cc(C)c(C)cc2c1C)C(=O)[O-] ZINC001573805786 960859858 /nfs/dbraw/zinc/85/98/58/960859858.db2.gz XWVUCZJMDVDWFD-GFCCVEGCSA-N -1 0 319.426 3.667 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001573808336 960862561 /nfs/dbraw/zinc/86/25/61/960862561.db2.gz BAKNHPFQPNPNHS-MRXNPFEDSA-N -1 0 319.445 3.523 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cccc4ccccc43)(CC1)C2 ZINC001263625909 960871077 /nfs/dbraw/zinc/87/10/77/960871077.db2.gz BPGLYVVDSWXUQI-UHFFFAOYSA-N -1 0 309.365 3.813 20 0 DHADRM Cc1cc(NC(=O)c2cnc3ccc(F)cc3c2)ccc1C(=O)[O-] ZINC001574341453 960940372 /nfs/dbraw/zinc/94/03/72/960940372.db2.gz SLWOPPRXZXNDMX-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319406236 960943466 /nfs/dbraw/zinc/94/34/66/960943466.db2.gz CJZALRVNGALWEW-AWEZNQCLSA-N -1 0 317.410 3.565 20 0 DHADRM Cc1cc2cc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])oc2cc1C ZINC001574347727 960972719 /nfs/dbraw/zinc/97/27/19/960972719.db2.gz MHSHVCMUOTZPHP-TZMCWYRMSA-N -1 0 315.369 3.517 20 0 DHADRM C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCc2ccccc21 ZINC000237616627 960973563 /nfs/dbraw/zinc/97/35/63/960973563.db2.gz GBWCBOCWQCDBHW-LJQANCHMSA-N -1 0 309.365 3.618 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(c2nc3cc(C)ccc3s2)C1 ZINC001573822676 960976323 /nfs/dbraw/zinc/97/63/23/960976323.db2.gz PZMLOAVLAAPYCZ-INIZCTEOSA-N -1 0 304.415 3.686 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC(C1CC1)C1CC1 ZINC001320980339 960992182 /nfs/dbraw/zinc/99/21/82/960992182.db2.gz DEGXLTZLBYRPTJ-UHFFFAOYSA-N -1 0 301.386 3.766 20 0 DHADRM CCC1(CC)CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)c2ccccc21 ZINC001573829010 960995984 /nfs/dbraw/zinc/99/59/84/960995984.db2.gz NUKWVGCQXDHAFQ-IBGZPJMESA-N -1 0 315.413 3.592 20 0 DHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001574357035 961007962 /nfs/dbraw/zinc/00/79/62/961007962.db2.gz LLKNJQQURCUOLZ-MMQHEFTJSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001322778525 961014114 /nfs/dbraw/zinc/01/41/14/961014114.db2.gz DROHNNGTTOLGFP-NSHDSACASA-N -1 0 315.344 3.965 20 0 DHADRM CCC[C@H](C(=O)N(CC)[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573832510 961039537 /nfs/dbraw/zinc/03/95/37/961039537.db2.gz WATXRWBSIXFBLJ-FZMZJTMJSA-N -1 0 311.809 3.545 20 0 DHADRM Cc1ccc(CN(CCCC(C)C)C(=O)CCCC(=O)[O-])o1 ZINC001574366918 961044132 /nfs/dbraw/zinc/04/41/32/961044132.db2.gz TWEZUFZQSPWQLY-UHFFFAOYSA-N -1 0 309.406 3.608 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC001324940939 961046973 /nfs/dbraw/zinc/04/69/73/961046973.db2.gz ROQGKRPNQOUGBT-MRXNPFEDSA-N -1 0 322.792 3.503 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC000237946553 961050727 /nfs/dbraw/zinc/05/07/27/961050727.db2.gz MEGNPCFKDITGGT-INIZCTEOSA-N -1 0 309.450 3.840 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001573840651 961066661 /nfs/dbraw/zinc/06/66/61/961066661.db2.gz JHTWTGFXIHYHDQ-GFCCVEGCSA-N -1 0 317.389 3.578 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573840786 961071109 /nfs/dbraw/zinc/07/11/09/961071109.db2.gz KPUWYCCQZKKCPS-VFNNOXKTSA-N -1 0 305.374 3.562 20 0 DHADRM O=C([O-])c1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC000238116254 961105096 /nfs/dbraw/zinc/10/50/96/961105096.db2.gz MKRSOJTULWOIKK-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM Cc1ccc2sc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc2c1C ZINC001574383109 961123329 /nfs/dbraw/zinc/12/33/29/961123329.db2.gz CESAJVTXFZRWAI-NSHDSACASA-N -1 0 320.414 3.599 20 0 DHADRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616137 1013229614 /nfs/dbraw/zinc/22/96/14/1013229614.db2.gz GXDQGQYAXNTOKB-UHFFFAOYSA-N -1 0 317.357 3.580 20 0 DHADRM Cc1cccc([C@H](NC(=O)c2cc3c(cccc3C)o2)C(=O)[O-])c1 ZINC001574390751 961175985 /nfs/dbraw/zinc/17/59/85/961175985.db2.gz DBHLIYIPUWWLFJ-KRWDZBQOSA-N -1 0 323.348 3.605 20 0 DHADRM CCCOc1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001573862165 961175989 /nfs/dbraw/zinc/17/59/89/961175989.db2.gz NGFDLGLAPLIQRQ-UHFFFAOYSA-N -1 0 313.353 3.734 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001328494340 961210605 /nfs/dbraw/zinc/21/06/05/961210605.db2.gz ONCHBXPXGBNLFB-GHMZBOCLSA-N -1 0 324.446 3.625 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001574402466 961243806 /nfs/dbraw/zinc/24/38/06/961243806.db2.gz ZEUKHNTYVVBLOF-RHSMWYFYSA-N -1 0 323.392 3.704 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCC(C)(C)C(=O)[O-] ZINC001574402835 961246794 /nfs/dbraw/zinc/24/67/94/961246794.db2.gz MENXWHSVDJOWOH-ZIAGYGMSSA-N -1 0 317.429 3.593 20 0 DHADRM CN(c1ccccc1NC(=O)CCCCC(=O)[O-])C1CCCC1 ZINC000655556461 1013249814 /nfs/dbraw/zinc/24/98/14/1013249814.db2.gz SDYCKOYHKVBSHH-UHFFFAOYSA-N -1 0 318.417 3.649 20 0 DHADRM CC(C)(C)[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)cc1 ZINC000261977370 961404973 /nfs/dbraw/zinc/40/49/73/961404973.db2.gz QYNGOQMMSYMBGQ-MRXNPFEDSA-N -1 0 309.381 3.674 20 0 DHADRM CCc1oc(CN[C@H](c2ncc(C)s2)C2CC2)cc1C(=O)[O-] ZINC001331943187 961422241 /nfs/dbraw/zinc/42/22/41/961422241.db2.gz IPROZJREKOCRKD-AWEZNQCLSA-N -1 0 320.414 3.546 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC001588804430 961464737 /nfs/dbraw/zinc/46/47/37/961464737.db2.gz ZGHZCBHRTZCVCX-KRWDZBQOSA-N -1 0 309.365 3.557 20 0 DHADRM CC(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001588815354 961569089 /nfs/dbraw/zinc/56/90/89/961569089.db2.gz NMMLEBFXYHDLDV-OAHLLOKOSA-N -1 0 312.369 3.548 20 0 DHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001573931545 961580577 /nfs/dbraw/zinc/58/05/77/961580577.db2.gz BNUVUODDXSMURD-KGLIPLIRSA-N -1 0 322.430 3.571 20 0 DHADRM CC1(CC(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)CC1 ZINC001332625332 961610350 /nfs/dbraw/zinc/61/03/50/961610350.db2.gz VZDVIUPZDHAPMG-MRXNPFEDSA-N -1 0 311.381 3.662 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1ccsc1 ZINC000262473982 961741181 /nfs/dbraw/zinc/74/11/81/961741181.db2.gz HCWYNRPRYNFRTH-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C ZINC000262687280 961807223 /nfs/dbraw/zinc/80/72/23/961807223.db2.gz CWTJYUNXAZXFRR-BFYDXBDKSA-N -1 0 317.429 3.699 20 0 DHADRM CC(C)[C@H]1CCC[C@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001588842290 961816295 /nfs/dbraw/zinc/81/62/95/961816295.db2.gz XPIFGQRUEHILEW-SMDDNHRTSA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)[C@H]1N(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC12CCCCC2 ZINC001588842907 961831808 /nfs/dbraw/zinc/83/18/08/961831808.db2.gz RZXVSBSCVSDIGM-UONOGXRCSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2ccccc2C(=O)[O-])CC12CC=CC2 ZINC001588842894 961832441 /nfs/dbraw/zinc/83/24/41/961832441.db2.gz RUCDFOULIPJMKL-HNNXBMFYSA-N -1 0 314.385 3.593 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(C(=O)[O-])c2)CC12CC=CC2 ZINC001588843010 961834657 /nfs/dbraw/zinc/83/46/57/961834657.db2.gz VQFGSLNNXIRIJH-HNNXBMFYSA-N -1 0 314.385 3.593 20 0 DHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000262829139 961894311 /nfs/dbraw/zinc/89/43/11/961894311.db2.gz BKCBDEBRDQZGCL-JTQLQIEISA-N -1 0 316.357 3.547 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCC1CCCCC1 ZINC000262843403 961910494 /nfs/dbraw/zinc/91/04/94/961910494.db2.gz CJWFQZDMJYYITH-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC001574537813 961924650 /nfs/dbraw/zinc/92/46/50/961924650.db2.gz LCOJGCWJBMFMBR-UHFFFAOYSA-N -1 0 320.348 3.561 20 0 DHADRM Cc1cc(/C(C#N)=C/c2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000091540910 1013303951 /nfs/dbraw/zinc/30/39/51/1013303951.db2.gz AIEVMBVLWGDCRO-OQLLNIDSSA-N -1 0 308.293 3.666 20 0 DHADRM O=C([O-])C1(NC(=O)c2ccc(-c3cccs3)o2)CCCCC1 ZINC001574549788 961972860 /nfs/dbraw/zinc/97/28/60/961972860.db2.gz URIZEWNTXLABJM-UHFFFAOYSA-N -1 0 319.382 3.525 20 0 DHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262909784 961988447 /nfs/dbraw/zinc/98/84/47/961988447.db2.gz JKTITAYWOQEOCE-JOCQHMNTSA-N -1 0 319.401 3.693 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NCC1(Cc2ccccc2)CC1 ZINC001574564337 962026999 /nfs/dbraw/zinc/02/69/99/962026999.db2.gz HKXTYFAUZUGYFO-UHFFFAOYSA-N -1 0 324.380 3.529 20 0 DHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588867578 962026941 /nfs/dbraw/zinc/02/69/41/962026941.db2.gz UHUONLLAKOYLEG-CJNGLKHVSA-N -1 0 303.402 3.720 20 0 DHADRM CCCN(CC(C)C)C(=O)c1cccc(Br)c1[O-] ZINC000519331076 1013308125 /nfs/dbraw/zinc/30/81/25/1013308125.db2.gz JVIRITYYCJRAJO-UHFFFAOYSA-N -1 0 314.223 3.663 20 0 DHADRM CCc1ccc([C@H]2C[C@H](C)CCN2c2nc(C(=O)[O-])co2)o1 ZINC000519407584 1013316655 /nfs/dbraw/zinc/31/66/55/1013316655.db2.gz PVKOUWRKBLPIEW-ZWNOBZJWSA-N -1 0 304.346 3.506 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(Cl)o2)c1Cl ZINC001574600113 962159273 /nfs/dbraw/zinc/15/92/73/962159273.db2.gz SLDDECLGVDXJNA-UHFFFAOYSA-N -1 0 318.087 3.676 20 0 DHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263040146 962163487 /nfs/dbraw/zinc/16/34/87/962163487.db2.gz LTAYWNQHGURVIE-LJQANCHMSA-N -1 0 324.380 3.682 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001344446715 962173239 /nfs/dbraw/zinc/17/32/39/962173239.db2.gz HLPNDPWCWGBQTJ-TXEJJXNPSA-N -1 0 321.442 3.935 20 0 DHADRM O=C([O-])c1ncccc1NC(=O)c1cccc(C2CCCC2)c1 ZINC001574607827 962178286 /nfs/dbraw/zinc/17/82/86/962178286.db2.gz QEYNEEHFWCPTEG-UHFFFAOYSA-N -1 0 310.353 3.690 20 0 DHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000263113304 962265304 /nfs/dbraw/zinc/26/53/04/962265304.db2.gz JUQKIOPHXUEUQE-GJZGRUSLSA-N -1 0 309.381 3.530 20 0 DHADRM CC(C)Cc1ccccc1COC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001588906460 962284256 /nfs/dbraw/zinc/28/42/56/962284256.db2.gz JJWYCSNTCUUASK-LJQANCHMSA-N -1 0 316.397 3.739 20 0 DHADRM CC1(CNS(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000519492951 1013331632 /nfs/dbraw/zinc/33/16/32/1013331632.db2.gz CLCSAMOHAYPHFE-UHFFFAOYSA-N -1 0 322.257 3.852 20 0 DHADRM O=C([O-])[C@@]1(C(=O)O[C@@H]2CCSc3ccccc32)CC=CCC1 ZINC001574638395 962324656 /nfs/dbraw/zinc/32/46/56/962324656.db2.gz KSFPGUZVPQLDPL-CXAGYDPISA-N -1 0 318.394 3.578 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc3ccccc3n2)CCCCCC1 ZINC001574640362 962343119 /nfs/dbraw/zinc/34/31/19/962343119.db2.gz AIFFITVMUXOSNF-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM CC[C@@H](CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000263201029 962357627 /nfs/dbraw/zinc/35/76/27/962357627.db2.gz JYQPGBISYLNVKJ-HNAYVOBHSA-N -1 0 317.429 3.592 20 0 DHADRM CCC[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)cc1F ZINC000263268772 962407549 /nfs/dbraw/zinc/40/75/49/962407549.db2.gz HWNKUFBTNBWIOG-CQSZACIVSA-N -1 0 313.344 3.567 20 0 DHADRM C[C@H](NC(=O)CCCC1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578533 1013345134 /nfs/dbraw/zinc/34/51/34/1013345134.db2.gz BQJPKQCYVGNOCS-AEGPPILISA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000263332373 962478887 /nfs/dbraw/zinc/47/88/87/962478887.db2.gz VGDSQXQCWFQKPN-UHFFFAOYSA-N -1 0 321.707 3.525 20 0 DHADRM CC(C)O[C@H]1C[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC001588933823 962484518 /nfs/dbraw/zinc/48/45/18/962484518.db2.gz YPZNYZWMFIASFN-CVEARBPZSA-N -1 0 305.418 3.708 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000263365005 962523100 /nfs/dbraw/zinc/52/31/00/962523100.db2.gz 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CC[C@@H](C)CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000653556509 968677856 /nfs/dbraw/zinc/67/78/56/968677856.db2.gz OYJFTMGSHWIMGH-CYBMUJFWSA-N -1 0 303.402 3.527 20 0 DHADRM CC[C@H](C)CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000653556510 968678144 /nfs/dbraw/zinc/67/81/44/968678144.db2.gz OYJFTMGSHWIMGH-ZDUSSCGKSA-N -1 0 303.402 3.527 20 0 DHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000655556806 968680059 /nfs/dbraw/zinc/68/00/59/968680059.db2.gz NTXNKTBTVYBBDB-ROUUACIJSA-N -1 0 321.376 3.607 20 0 DHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000330669268 1013831128 /nfs/dbraw/zinc/83/11/28/1013831128.db2.gz CSXFFEWOLZSSPK-CQSZACIVSA-N -1 0 315.772 3.861 20 0 DHADRM CC[C@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000676217266 968861294 /nfs/dbraw/zinc/86/12/94/968861294.db2.gz QZJNUEGYQAKJDM-HZPDHXFCSA-N -1 0 317.429 3.592 20 0 DHADRM CCc1nocc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572860 1013865072 /nfs/dbraw/zinc/86/50/72/1013865072.db2.gz 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Cc1ccc(-c2ccc(C)c(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)o1 ZINC001605231273 972980437 /nfs/dbraw/zinc/98/04/37/972980437.db2.gz FBTITDQBBMFFHH-MRXNPFEDSA-N -1 0 313.353 3.613 20 0 DHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2cncc(C(=O)[O-])c2)C1(C)C ZINC001603394762 973026947 /nfs/dbraw/zinc/02/69/47/973026947.db2.gz MPTNNKBXJXXNMH-QZQWMFAZSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001603399405 973045991 /nfs/dbraw/zinc/04/59/91/973045991.db2.gz FLFSGKYXSCOXLJ-FXUDXRNXSA-N -1 0 324.465 3.630 20 0 DHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC001603399998 973052348 /nfs/dbraw/zinc/05/23/48/973052348.db2.gz SRYDKPPHHNCKDM-NTZNESFSSA-N -1 0 322.380 3.718 20 0 DHADRM Cc1ccc(N(C)C(=O)C2(C(=O)[O-])CCCCCC2)c(F)c1 ZINC001605284551 973082401 /nfs/dbraw/zinc/08/24/01/973082401.db2.gz HRDAIIAWMRHQQY-UHFFFAOYSA-N -1 0 307.365 3.522 20 0 DHADRM Cc1ccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1Cl ZINC001605296848 973109939 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Cc1cccc([C@@H](NCc2nsc3ccccc32)C(=O)[O-])c1 ZINC001605329697 973200866 /nfs/dbraw/zinc/20/08/66/973200866.db2.gz KKSNUCPWRRVSBM-MRXNPFEDSA-N -1 0 312.394 3.520 20 0 DHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CC1 ZINC001603435218 973204077 /nfs/dbraw/zinc/20/40/77/973204077.db2.gz ZUMZKYPTORTNOX-RKDXNWHRSA-N -1 0 307.415 3.556 20 0 DHADRM O=C([O-])CC1(C(=O)O[C@@H]2CCc3c2cccc3Cl)CCC1 ZINC001606075050 973234312 /nfs/dbraw/zinc/23/43/12/973234312.db2.gz YGJXBCUDKWCLEC-CYBMUJFWSA-N -1 0 308.761 3.516 20 0 DHADRM Cc1c(Br)ccc(N)c1Nc1ccccc1C(=O)[O-] ZINC001210967568 1014098332 /nfs/dbraw/zinc/09/83/32/1014098332.db2.gz KAWMCDIJPRGAJX-UHFFFAOYSA-N -1 0 321.174 3.782 20 0 DHADRM Cc1ccsc1CCCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001605367049 973305328 /nfs/dbraw/zinc/30/53/28/973305328.db2.gz BPPBAANNUJWSMQ-UHFFFAOYSA-N -1 0 323.458 3.673 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cscc2Cl)C1 ZINC001606128564 973373298 /nfs/dbraw/zinc/37/32/98/973373298.db2.gz NONGXEVKFNOHRA-SECBINFHSA-N -1 0 316.810 3.510 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cscc2Cl)C1 ZINC001606128568 973373785 /nfs/dbraw/zinc/37/37/85/973373785.db2.gz NONGXEVKFNOHRA-VIFPVBQESA-N -1 0 316.810 3.510 20 0 DHADRM Cc1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1C ZINC000683921035 1014110244 /nfs/dbraw/zinc/11/02/44/1014110244.db2.gz LVHVNTCRTLZLJF-UHFFFAOYSA-N -1 0 304.390 3.555 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(Cc2cccs2)CCCCC1 ZINC001603492358 973438593 /nfs/dbraw/zinc/43/85/93/973438593.db2.gz RIEXYZDPPSXDQI-AWEZNQCLSA-N -1 0 323.458 3.563 20 0 DHADRM O=C([O-])CCc1cccc(NCc2nccc3c2CCCC3)c1 ZINC001606216477 973470215 /nfs/dbraw/zinc/47/02/15/973470215.db2.gz WDSDDCLXYMWRRC-UHFFFAOYSA-N -1 0 310.397 3.590 20 0 DHADRM CCC(C)(C)OCc1ccccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001603508147 973490262 /nfs/dbraw/zinc/49/02/62/973490262.db2.gz JCWCNHUTBGMUSY-OAHLLOKOSA-N -1 0 321.417 3.687 20 0 DHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC001605459679 973547197 /nfs/dbraw/zinc/54/71/97/973547197.db2.gz BWECJOMLRYDIBA-UHFFFAOYSA-N -1 0 313.231 3.557 20 0 DHADRM Cc1sc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)nc1C1CCCCC1 ZINC001605461064 973557899 /nfs/dbraw/zinc/55/78/99/973557899.db2.gz LPRAHTNLKMNQFP-ABKXIKBNSA-N -1 0 322.430 3.549 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001603602431 973867933 /nfs/dbraw/zinc/86/79/33/973867933.db2.gz VSULRKWMRBZYCK-KRWDZBQOSA-N -1 0 323.820 3.674 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1F ZINC000414101192 973932376 /nfs/dbraw/zinc/93/23/76/973932376.db2.gz WBNWMKUUWOLVSR-CYBMUJFWSA-N -1 0 321.392 3.737 20 0 DHADRM CCCC[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])C(C)C ZINC001603640153 973979401 /nfs/dbraw/zinc/97/94/01/973979401.db2.gz IAWXMRGKPPDRDW-NVXWUHKLSA-N -1 0 317.429 3.659 20 0 DHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC001606495354 973980090 /nfs/dbraw/zinc/98/00/90/973980090.db2.gz SQZLSASQRWFCQM-HOTGVXAUSA-N -1 0 302.370 3.644 20 0 DHADRM Cc1ccc(C2CC2)c(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000424222878 974019188 /nfs/dbraw/zinc/01/91/88/974019188.db2.gz GFXWZRGCSGPUJV-UHFFFAOYSA-N -1 0 309.365 3.501 20 0 DHADRM CSc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1C ZINC000424382177 974023889 /nfs/dbraw/zinc/02/38/89/974023889.db2.gz NOZQGGBHAXWWFV-LBPRGKRZSA-N -1 0 324.446 3.585 20 0 DHADRM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000425246547 974040473 /nfs/dbraw/zinc/04/04/73/974040473.db2.gz WPZXVUBQWILFPJ-CZUORRHYSA-N -1 0 319.401 3.695 20 0 DHADRM COc1ccc(F)cc1-c1cncc(CS[C@@H](C)C(=O)[O-])c1 ZINC001604806405 974044055 /nfs/dbraw/zinc/04/40/55/974044055.db2.gz OHZXZCSCYXKQFB-JTQLQIEISA-N -1 0 321.373 3.603 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c(F)c1 ZINC001605667947 974068462 /nfs/dbraw/zinc/06/84/62/974068462.db2.gz KSVVYGCMLUMDKX-KXFIGUGUSA-N -1 0 324.311 3.657 20 0 DHADRM CCCc1cc(C(=O)NCc2ccccc2C(=O)[O-])sc1C ZINC001603691921 974082024 /nfs/dbraw/zinc/08/20/24/974082024.db2.gz ULUPLWDHWJIYJO-UHFFFAOYSA-N -1 0 317.410 3.637 20 0 DHADRM COc1cccc(C(F)F)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604864156 974113111 /nfs/dbraw/zinc/11/31/11/974113111.db2.gz XVSMSELPGNLLBG-UHFFFAOYSA-N -1 0 321.279 3.583 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(C3CCC3)cc2)cc1 ZINC001605709012 974135889 /nfs/dbraw/zinc/13/58/89/974135889.db2.gz KAANWZJHLSVAJA-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM CC(C)c1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478832466 974209222 /nfs/dbraw/zinc/20/92/22/974209222.db2.gz GRJKWCHMHCLCBB-UHFFFAOYSA-N -1 0 301.317 3.900 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2cccc3ccccc32)c(F)c1 ZINC000478847366 974211283 /nfs/dbraw/zinc/21/12/83/974211283.db2.gz DBRKXWKGJXKOGA-UHFFFAOYSA-N -1 0 323.323 3.607 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478852529 974212029 /nfs/dbraw/zinc/21/20/29/974212029.db2.gz LCGFPNMLMBGLBX-GFCCVEGCSA-N -1 0 315.344 3.632 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000530460008 974366096 /nfs/dbraw/zinc/36/60/96/974366096.db2.gz PCWPTZJFMCGCDT-RISCZKNCSA-N -1 0 319.401 3.535 20 0 DHADRM CCSc1cccc(NC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001603895517 974396709 /nfs/dbraw/zinc/39/67/09/974396709.db2.gz LBZHGZQACIVTKH-UHFFFAOYSA-N -1 0 317.370 3.536 20 0 DHADRM CCc1ccc(CC)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000539675977 974398610 /nfs/dbraw/zinc/39/86/10/974398610.db2.gz YKZBIKDDSDEOJO-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM CC[C@@H](Nc1nc2ccccc2c(-c2ccccc2)n1)C(=O)[O-] ZINC001603918699 974413478 /nfs/dbraw/zinc/41/34/78/974413478.db2.gz GJNBNRRNXJHXKU-CQSZACIVSA-N -1 0 307.353 3.572 20 0 DHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C)c(F)c1 ZINC001603960251 974438135 /nfs/dbraw/zinc/43/81/35/974438135.db2.gz LXVVUPUMVPIGPS-HNNXBMFYSA-N -1 0 317.316 3.535 20 0 DHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)C1(C(=O)[O-])CCC1 ZINC001603968401 974451175 /nfs/dbraw/zinc/45/11/75/974451175.db2.gz VMIVMRKZBAIGIN-UHFFFAOYSA-N -1 0 317.168 3.716 20 0 DHADRM CCc1cccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001603975138 974464040 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C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000565225088 974574314 /nfs/dbraw/zinc/57/43/14/974574314.db2.gz NOOSECLZLSYZCB-NBBKGKMJSA-N -1 0 323.820 3.654 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000579377711 1014203510 /nfs/dbraw/zinc/20/35/10/1014203510.db2.gz XFBFBKVNLXHRMN-HIFRSBDPSA-N -1 0 319.401 3.613 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(C2CCCCC2)cs1 ZINC000566366551 974611707 /nfs/dbraw/zinc/61/17/07/974611707.db2.gz FLORUFGELGYOBB-GFCCVEGCSA-N -1 0 310.463 3.876 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(C2CCCCC2)cs1 ZINC000566366552 974612045 /nfs/dbraw/zinc/61/20/45/974612045.db2.gz FLORUFGELGYOBB-LBPRGKRZSA-N -1 0 310.463 3.876 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000568650991 974676799 /nfs/dbraw/zinc/67/67/99/974676799.db2.gz FKWSOYNVCGOQLD-HPUBIQBYSA-N -1 0 317.429 3.578 20 0 DHADRM CC1(C)CCC(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000568871689 974679372 /nfs/dbraw/zinc/67/93/72/974679372.db2.gz 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/nfs/dbraw/zinc/89/69/75/974896975.db2.gz BSFRIWBTTAPFIB-LLVKDONJSA-N -1 0 303.333 3.545 20 0 DHADRM Cc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC000580896100 974901988 /nfs/dbraw/zinc/90/19/88/974901988.db2.gz RVVQJFCEKBLSPM-VIFPVBQESA-N -1 0 310.806 3.654 20 0 DHADRM C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccoc2C(=O)[O-])C2CC2)o1 ZINC000583445795 974941320 /nfs/dbraw/zinc/94/13/20/974941320.db2.gz BCNXLGFCOXDFOW-NHYWBVRUSA-N -1 0 315.369 3.859 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)C ZINC000600872931 975009393 /nfs/dbraw/zinc/00/93/93/975009393.db2.gz GXHODYOGGDBGGH-CQSZACIVSA-N -1 0 320.414 3.582 20 0 DHADRM Cc1c(NC(=O)C[C@H](C)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000615938778 975023874 /nfs/dbraw/zinc/02/38/74/975023874.db2.gz HNSWAQUTBDATMG-NSHDSACASA-N -1 0 315.344 3.965 20 0 DHADRM COCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCCC1 ZINC000621537041 975028120 /nfs/dbraw/zinc/02/81/20/975028120.db2.gz CXUUDHAXYVSGBY-UHFFFAOYSA-N -1 0 319.401 3.537 20 0 DHADRM CC1(CC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCCCC1 ZINC000621580244 975041248 /nfs/dbraw/zinc/04/12/48/975041248.db2.gz SPPXYNLNMDUFHR-UHFFFAOYSA-N -1 0 315.413 3.630 20 0 DHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000621619530 975063130 /nfs/dbraw/zinc/06/31/30/975063130.db2.gz PRGBFHRHQJBMGF-GFCCVEGCSA-N -1 0 321.760 3.556 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(c2cccnc2)CCCC1 ZINC000630129522 975114830 /nfs/dbraw/zinc/11/48/30/975114830.db2.gz BXMXCPWWSGDFSU-UHFFFAOYSA-N -1 0 324.380 3.539 20 0 DHADRM CCC[C@H](C(=O)NCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000630137493 975121952 /nfs/dbraw/zinc/12/19/52/975121952.db2.gz SWKOMKVFENLZJK-AWEZNQCLSA-N -1 0 311.809 3.595 20 0 DHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)oc1C(=O)[O-] ZINC000630150587 975130768 /nfs/dbraw/zinc/13/07/68/975130768.db2.gz CGZWRKBXSWEAOC-OAHLLOKOSA-N -1 0 313.353 3.557 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C2CC2)n1 ZINC000630193518 975151879 /nfs/dbraw/zinc/15/18/79/975151879.db2.gz GAHKIMHZPLKWLG-GFCCVEGCSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)CCCCC(=O)[O-] ZINC000630229337 975176851 /nfs/dbraw/zinc/17/68/51/975176851.db2.gz VXILODYYTVIURA-UHFFFAOYSA-N -1 0 319.445 3.933 20 0 DHADRM C[C@@H](Oc1ccc(NC(=O)CC2=CCCCC2)cc1F)C(=O)[O-] ZINC000630258812 975202391 /nfs/dbraw/zinc/20/23/91/975202391.db2.gz SYDJAYLSDYXVPD-LLVKDONJSA-N -1 0 321.348 3.507 20 0 DHADRM O=C([O-])[C@H](CNC(=O)c1sccc1C1CC1)C1CCCCC1 ZINC000630265113 975208321 /nfs/dbraw/zinc/20/83/21/975208321.db2.gz NBPFNYUMQBVQAV-CQSZACIVSA-N -1 0 321.442 3.636 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630278565 975223082 /nfs/dbraw/zinc/22/30/82/975223082.db2.gz HTNBPXDZCIPLAJ-WCXIOVBPSA-N -1 0 321.461 3.695 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630278558 975223272 /nfs/dbraw/zinc/22/32/72/975223272.db2.gz HTNBPXDZCIPLAJ-NCOADZHNSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000630291236 975233855 /nfs/dbraw/zinc/23/38/55/975233855.db2.gz RPGNJVRZVDZRFD-QAQDUYKDSA-N -1 0 317.429 3.659 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000630305493 975241483 /nfs/dbraw/zinc/24/14/83/975241483.db2.gz PTUKOPYIVFYENF-CQSZACIVSA-N -1 0 323.820 3.725 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000630306208 975242148 /nfs/dbraw/zinc/24/21/48/975242148.db2.gz OGENTNPQBMIFPV-WOMSROEHSA-N -1 0 315.413 3.522 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630327642 975254770 /nfs/dbraw/zinc/25/47/70/975254770.db2.gz PTIQIFIDPSTBHO-ZWKOTPCHSA-N -1 0 323.392 3.754 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630331439 975259320 /nfs/dbraw/zinc/25/93/20/975259320.db2.gz ZWGOANXLXFFSIB-XFBWCDHKSA-N -1 0 303.402 3.886 20 0 DHADRM CC(C)c1occc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630331402 975259481 /nfs/dbraw/zinc/25/94/81/975259481.db2.gz YVMBJYPUCRXLPX-LSDHHAIUSA-N -1 0 313.353 3.843 20 0 DHADRM COc1ccc(F)c(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630469214 975267142 /nfs/dbraw/zinc/26/71/42/975267142.db2.gz YKRICKIIQHHNHE-JKSUJKDBSA-N -1 0 315.344 3.635 20 0 DHADRM C[C@H]1CN(C(=O)Nc2cccc(C3CCC3)c2)CC[C@H]1C(=O)[O-] ZINC000630568119 975268838 /nfs/dbraw/zinc/26/88/38/975268838.db2.gz DYMJSQGDULTPSU-BLLLJJGKSA-N -1 0 316.401 3.529 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2ccc3occc3c2)CCCC1 ZINC000634939805 975281974 /nfs/dbraw/zinc/28/19/74/975281974.db2.gz PWTXLGMBRDQILT-UHFFFAOYSA-N -1 0 301.342 3.797 20 0 DHADRM COc1cccc2c1CC[C@@H]2Nc1ncc(C(=O)[O-])cc1Cl ZINC000647451722 975363823 /nfs/dbraw/zinc/36/38/23/975363823.db2.gz FSJOBZGKVRKRAX-ZDUSSCGKSA-N -1 0 318.760 3.541 20 0 DHADRM CC1(C)C[C@@H](Nc2ccc(C(=O)[O-])cn2)c2ccc(F)cc2O1 ZINC000647451996 975364013 /nfs/dbraw/zinc/36/40/13/975364013.db2.gz OKVGIWKQQVBENO-CYBMUJFWSA-N -1 0 316.332 3.633 20 0 DHADRM O=C([O-])c1cnc(N[C@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000647452400 975364093 /nfs/dbraw/zinc/36/40/93/975364093.db2.gz YKKIMSHCKDANPC-LBPRGKRZSA-N -1 0 324.808 3.727 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000649244223 975384088 /nfs/dbraw/zinc/38/40/88/975384088.db2.gz TYNYFNKHKIAKBJ-XHSDSOJGSA-N -1 0 317.429 3.781 20 0 DHADRM CC(C)NC(=S)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001591660980 975399292 /nfs/dbraw/zinc/39/92/92/975399292.db2.gz RITNSRFAPSHXSN-UHFFFAOYSA-N -1 0 320.439 3.808 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000652063344 975463206 /nfs/dbraw/zinc/46/32/06/975463206.db2.gz JWMZVWXKXLTSOV-NSHDSACASA-N -1 0 311.809 3.593 20 0 DHADRM CSc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C ZINC000652122655 975508289 /nfs/dbraw/zinc/50/82/89/975508289.db2.gz FRNARHOAVAVSNL-NWDGAFQWSA-N -1 0 307.415 3.546 20 0 DHADRM Cc1oc(CN2CCc3sc(Cl)cc3C2)cc1C(=O)[O-] ZINC000652449649 975535959 /nfs/dbraw/zinc/53/59/59/975535959.db2.gz JBECKZFJQFUUJD-UHFFFAOYSA-N -1 0 311.790 3.559 20 0 DHADRM O=C([O-])CN(Cc1csc(-c2ccco2)n1)C1CCCCC1 ZINC000652482721 975553097 /nfs/dbraw/zinc/55/30/97/975553097.db2.gz RQILBAUMAXKZHH-UHFFFAOYSA-N -1 0 320.414 3.622 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653637118 975599007 /nfs/dbraw/zinc/59/90/07/975599007.db2.gz JTEOPSJKKRPHRE-SFHVURJKSA-N -1 0 323.392 3.599 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000653640738 975606334 /nfs/dbraw/zinc/60/63/34/975606334.db2.gz DULJLOFFZRMCJX-INIZCTEOSA-N -1 0 317.429 3.602 20 0 DHADRM O=C(Cc1ccon1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000357487952 1030074682 /nfs/dbraw/zinc/07/46/82/1030074682.db2.gz AWDRQRKOPHXMRU-UHFFFAOYSA-N -1 0 321.547 3.522 20 0 DHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000653642090 975609445 /nfs/dbraw/zinc/60/94/45/975609445.db2.gz BMAKSGFMBQDTSB-IBGZPJMESA-N -1 0 323.392 3.585 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659121701 975720019 /nfs/dbraw/zinc/72/00/19/975720019.db2.gz ZRHZJCUJUDTGMU-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000659122966 975723256 /nfs/dbraw/zinc/72/32/56/975723256.db2.gz QVJLOKUSKAZWHC-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccccc1 ZINC000659129668 975729578 /nfs/dbraw/zinc/72/95/78/975729578.db2.gz XTDAJEVUYROHNG-FZKQIMNGSA-N -1 0 323.392 3.756 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000659131954 975731960 /nfs/dbraw/zinc/73/19/60/975731960.db2.gz BKLQRUWQRIIOGF-GFCCVEGCSA-N -1 0 317.410 3.652 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC23CCCC3)c(C(=O)[O-])c1 ZINC001591780474 975945549 /nfs/dbraw/zinc/94/55/49/975945549.db2.gz INLFTGJWCXOPLA-CQSZACIVSA-N -1 0 317.385 3.691 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C2CCC=CCC2)c(C(=O)[O-])c1 ZINC001591781348 975952012 /nfs/dbraw/zinc/95/20/12/975952012.db2.gz XPCRNIKPYUSOBF-UHFFFAOYSA-N -1 0 317.385 3.857 20 0 DHADRM CC(C)Oc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c(F)c1 ZINC001591788454 975974145 /nfs/dbraw/zinc/97/41/45/975974145.db2.gz JNBULLQBAVZPIF-VIFPVBQESA-N -1 0 324.377 3.941 20 0 DHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000668322184 975997391 /nfs/dbraw/zinc/99/73/91/975997391.db2.gz NVMYGGPKNGEOHG-YOEHRIQHSA-N -1 0 317.429 3.675 20 0 DHADRM CC(C)Oc1cccc(NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001591795760 976001304 /nfs/dbraw/zinc/00/13/04/976001304.db2.gz JPIZGFFQVFJBGO-CMDGGOBGSA-N -1 0 301.342 3.777 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435217 976002145 /nfs/dbraw/zinc/00/21/45/976002145.db2.gz YRCNPHZFKAMGQA-BBRMVZONSA-N -1 0 315.413 3.808 20 0 DHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000669505810 976008512 /nfs/dbraw/zinc/00/85/12/976008512.db2.gz FBIFOLIXJSOFJR-JTQLQIEISA-N -1 0 324.808 3.576 20 0 DHADRM CC(C)Oc1cccc(COC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001591797203 976012921 /nfs/dbraw/zinc/01/29/21/976012921.db2.gz YJSMCILTYWOCMJ-UHFFFAOYSA-N -1 0 314.337 3.529 20 0 DHADRM Cc1c(NC(=O)c2cc3c(cccc3F)[nH]2)cccc1C(=O)[O-] ZINC000675966546 976020796 /nfs/dbraw/zinc/02/07/96/976020796.db2.gz PKVSHHGJYASPCJ-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM Cc1c(NC(=O)CCc2cccc(F)c2F)cccc1C(=O)[O-] ZINC000675965872 976021174 /nfs/dbraw/zinc/02/11/74/976021174.db2.gz DLDDIBHYASTEQZ-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC000681364300 976060446 /nfs/dbraw/zinc/06/04/46/976060446.db2.gz JPVCWVPZJAFUHD-HNNXBMFYSA-N -1 0 307.365 3.613 20 0 DHADRM CC(C)SCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001591823184 976073865 /nfs/dbraw/zinc/07/38/65/976073865.db2.gz GUPMRQMVRHJEQW-UHFFFAOYSA-N -1 0 318.394 3.514 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000683328544 976088743 /nfs/dbraw/zinc/08/87/43/976088743.db2.gz CVMJBDCIXADYTJ-JTQLQIEISA-N -1 0 303.383 3.751 20 0 DHADRM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1(C)CCCC1 ZINC000580723603 1014313859 /nfs/dbraw/zinc/31/38/59/1014313859.db2.gz DLAADNGQJVZQRU-UHFFFAOYSA-N -1 0 301.308 3.816 20 0 DHADRM CC(C)c1[nH]c(CNCc2cscc2Cl)cc1C(=O)[O-] ZINC001591917830 976378859 /nfs/dbraw/zinc/37/88/59/976378859.db2.gz FQXKQBAZZVLLGX-UHFFFAOYSA-N -1 0 312.822 3.841 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001591942808 976472510 /nfs/dbraw/zinc/47/25/10/976472510.db2.gz JUEXSKKRODGCFK-KTXOBNNYSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)c1ccc(-n2ccnc2SCCCC(=O)[O-])cc1 ZINC001591943919 976486861 /nfs/dbraw/zinc/48/68/61/976486861.db2.gz ZUPNFDVHOGNTTH-UHFFFAOYSA-N -1 0 304.415 3.953 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001591947866 976495225 /nfs/dbraw/zinc/49/52/25/976495225.db2.gz ZYKUTTQXLITGLU-UHFFFAOYSA-N -1 0 315.344 3.829 20 0 DHADRM CC(C)c1ccc([C@@H](C)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001591948306 976497933 /nfs/dbraw/zinc/49/79/33/976497933.db2.gz DWSKJGVNQZQUDE-CYBMUJFWSA-N -1 0 315.417 3.999 20 0 DHADRM CC(C)c1ccc(NCc2cn(C)nc2C(F)F)c(C(=O)[O-])c1 ZINC001591969112 976567834 /nfs/dbraw/zinc/56/78/34/976567834.db2.gz XPYHQLDKIHIKSP-UHFFFAOYSA-N -1 0 323.343 3.791 20 0 DHADRM CC(C)c1ccccc1-n1ccnc1SCCCC(=O)[O-] ZINC001591993953 976627238 /nfs/dbraw/zinc/62/72/38/976627238.db2.gz CHTGECQCAMPOSA-UHFFFAOYSA-N -1 0 304.415 3.953 20 0 DHADRM CC(C)c1ccccc1CSCc1noc(CCC(=O)[O-])n1 ZINC001591995203 976640628 /nfs/dbraw/zinc/64/06/28/976640628.db2.gz UUATWIOVNKGZEM-UHFFFAOYSA-N -1 0 320.414 3.644 20 0 DHADRM Cc1nc(C=Cc2ccc(C3CCC3)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000580756306 1014335637 /nfs/dbraw/zinc/33/56/37/1014335637.db2.gz FFBPLIQXWMJKDM-YFHOEESVSA-N -1 0 324.380 3.556 20 0 DHADRM CC(C)c1nc(NC[C@@H](CC(=O)[O-])C2CC2)cc(C(C)(C)C)n1 ZINC001592030264 976734203 /nfs/dbraw/zinc/73/42/03/976734203.db2.gz HQCQLABWJJCQAD-CYBMUJFWSA-N -1 0 319.449 3.810 20 0 DHADRM CC(C)c1nn(C)cc1-c1cccc2c(CC(=O)[O-])cccc12 ZINC001592050519 976791169 /nfs/dbraw/zinc/79/11/69/976791169.db2.gz QMNNSSCFFNLISY-UHFFFAOYSA-N -1 0 308.381 3.991 20 0 DHADRM Cc1ccc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000320042658 1014353610 /nfs/dbraw/zinc/35/36/10/1014353610.db2.gz KQKRZZGHGFTRMU-LCYFTJDESA-N -1 0 309.365 3.664 20 0 DHADRM CC(C)c1occc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001592102442 976871310 /nfs/dbraw/zinc/87/13/10/976871310.db2.gz MDITYONBMUSOQB-UHFFFAOYSA-N -1 0 322.386 3.519 20 0 DHADRM CSc1ccc(Cl)cc1[N-]C(=O)c1c(F)ccnc1F ZINC001125475123 1014360129 /nfs/dbraw/zinc/36/01/29/1014360129.db2.gz OEIYLIDVGKISRC-UHFFFAOYSA-N -1 0 314.744 3.987 20 0 DHADRM CC(C)n1ccc(COc2cccc3c(CC(=O)[O-])cccc23)n1 ZINC001592138417 976985874 /nfs/dbraw/zinc/98/58/74/976985874.db2.gz WWYVLKVXOQVSJI-UHFFFAOYSA-N -1 0 324.380 3.823 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592181797 977112576 /nfs/dbraw/zinc/11/25/76/977112576.db2.gz RIVLVXPQJRNCDM-LBPRGKRZSA-N -1 0 304.390 3.817 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC000705441310 977278064 /nfs/dbraw/zinc/27/80/64/977278064.db2.gz KZRKKNFVGJZUAH-LURJTMIESA-N -1 0 309.671 3.565 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)n1cccc1 ZINC001592262556 977509373 /nfs/dbraw/zinc/50/93/73/977509373.db2.gz WCZMAXAWOYETTE-VIFPVBQESA-N -1 0 324.739 3.569 20 0 DHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccco1 ZINC001592274252 977547154 /nfs/dbraw/zinc/54/71/54/977547154.db2.gz MDDUGIYOJLSFHG-VIFPVBQESA-N -1 0 307.733 3.764 20 0 DHADRM C[C@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)CC(C)(C)C ZINC001592278227 977561912 /nfs/dbraw/zinc/56/19/12/977561912.db2.gz QSOXNUGGUAKULO-SNVBAGLBSA-N -1 0 317.389 3.662 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001592381216 977917974 /nfs/dbraw/zinc/91/79/74/977917974.db2.gz DCLBGKBPBYSPSD-YOEHRIQHSA-N -1 0 317.429 3.925 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)cc(Cl)c1 ZINC001592400192 977961805 /nfs/dbraw/zinc/96/18/05/977961805.db2.gz AVTUBBUQUUMUIA-MRVPVSSYSA-N -1 0 305.157 3.538 20 0 DHADRM C[C@@H](CC(=O)[O-])SCc1ccn(-c2ccc(Cl)cc2)n1 ZINC001592422152 978036104 /nfs/dbraw/zinc/03/61/04/978036104.db2.gz MEISXSAIAVSWLR-JTQLQIEISA-N -1 0 310.806 3.622 20 0 DHADRM C[C@@H](CC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001592430341 978063462 /nfs/dbraw/zinc/06/34/62/978063462.db2.gz YRPUNKQTZKVGGV-MEDUHNTESA-N -1 0 302.370 3.742 20 0 DHADRM C[C@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC001592430344 978063516 /nfs/dbraw/zinc/06/35/16/978063516.db2.gz YVEXBXXXOYTFAK-XIKARTHZSA-N -1 0 308.349 3.506 20 0 DHADRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC001592433354 978066464 /nfs/dbraw/zinc/06/64/64/978066464.db2.gz HAWOOOKFGDWXJK-ZCFIWIBFSA-N -1 0 310.655 3.532 20 0 DHADRM CCc1cccc(C)c1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000320677471 1014461268 /nfs/dbraw/zinc/46/12/68/1014461268.db2.gz UEHWTTSCTFLNHG-OAHLLOKOSA-N -1 0 318.417 3.809 20 0 DHADRM CCC[C@H](C(=O)[O-])[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000580936900 1014466614 /nfs/dbraw/zinc/46/66/14/1014466614.db2.gz YCPRIBXELYGVML-OPAMFIHVSA-N -1 0 316.422 3.778 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001592466546 978213215 /nfs/dbraw/zinc/21/32/15/978213215.db2.gz YLLNXETZMGHQQI-CJNGLKHVSA-N -1 0 309.450 3.600 20 0 DHADRM C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592476885 978237988 /nfs/dbraw/zinc/23/79/88/978237988.db2.gz BXERMMBHCZGNFS-NSHDSACASA-N -1 0 324.396 3.538 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001592477582 978245734 /nfs/dbraw/zinc/24/57/34/978245734.db2.gz LKLIRSYSJAWSBA-CYBMUJFWSA-N -1 0 305.418 3.506 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592478118 978248933 /nfs/dbraw/zinc/24/89/33/978248933.db2.gz RNXWPYQXYIOUFX-XPSMFNQNSA-N -1 0 319.401 3.856 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001592478248 978250320 /nfs/dbraw/zinc/25/03/20/978250320.db2.gz RTNSDVISPUIGOJ-ZDUSSCGKSA-N -1 0 305.418 3.506 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccs1)c1ccccc1 ZINC000736850510 978362183 /nfs/dbraw/zinc/36/21/83/978362183.db2.gz WVHSFPHASAKHIU-GXTWGEPZSA-N -1 0 317.410 3.748 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccsc1)c1ccccc1 ZINC000736850552 978362755 /nfs/dbraw/zinc/36/27/55/978362755.db2.gz WYTDHXOUKJBRGS-IUODEOHRSA-N -1 0 317.410 3.748 20 0 DHADRM C[C@@H](CCc1n[nH]c2ccccc21)Nc1cccc(C(=O)[O-])c1 ZINC001592552411 978439809 /nfs/dbraw/zinc/43/98/09/978439809.db2.gz YXAQZFJSZIEMTO-LBPRGKRZSA-N -1 0 309.369 3.694 20 0 DHADRM CSc1ccc(C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738199762 978498646 /nfs/dbraw/zinc/49/86/46/978498646.db2.gz QZXCWYCLKYHNFN-UHFFFAOYSA-N -1 0 302.351 3.634 20 0 DHADRM C[C@@H](CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)CC(C)(C)C ZINC001592610200 978560848 /nfs/dbraw/zinc/56/08/48/978560848.db2.gz FXMCCDRKAXHMIC-IAQYHMDHSA-N -1 0 309.381 3.550 20 0 DHADRM Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738637440 978578826 /nfs/dbraw/zinc/57/88/26/978578826.db2.gz DGVBKRGHBQYELU-KGLIPLIRSA-N -1 0 314.312 3.541 20 0 DHADRM Cc1ccc2sc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc2c1 ZINC000909456005 1014510410 /nfs/dbraw/zinc/51/04/10/1014510410.db2.gz MGSVVIHUIVMLJJ-NSHDSACASA-N -1 0 317.410 3.535 20 0 DHADRM Cc1cc(C)c(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000746361483 978684086 /nfs/dbraw/zinc/68/40/86/978684086.db2.gz GSSOOUVZAGXYSK-RMKNXTFCSA-N -1 0 323.392 3.891 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000753977023 978695993 /nfs/dbraw/zinc/69/59/93/978695993.db2.gz RFRLMTUVMCACIU-INIZCTEOSA-N -1 0 309.793 3.552 20 0 DHADRM C[C@]1(NC(=O)/C=C/c2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000762219700 978718400 /nfs/dbraw/zinc/71/84/00/978718400.db2.gz BNMDSBAOXVIECC-IYKWBQJMSA-N -1 0 321.804 3.503 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccccc1Cl ZINC000776680477 978769502 /nfs/dbraw/zinc/76/95/02/978769502.db2.gz IUMVKLCDHJYMOS-BENRWUELSA-N -1 0 323.820 3.893 20 0 DHADRM CC(C)CCCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000779438189 978783161 /nfs/dbraw/zinc/78/31/61/978783161.db2.gz KRUIPXLEVFTKCU-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CN(C(=O)c1ccc(C2CCC2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000799243719 978837468 /nfs/dbraw/zinc/83/74/68/978837468.db2.gz KWEOYMPGTXAIRS-SFHVURJKSA-N -1 0 323.392 3.852 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000811815607 978859366 /nfs/dbraw/zinc/85/93/66/978859366.db2.gz VWUGGHJZYGFKKB-OAHLLOKOSA-N -1 0 321.804 3.833 20 0 DHADRM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816326 978859864 /nfs/dbraw/zinc/85/98/64/978859864.db2.gz TXXJQMLHYGRLFZ-IINYFYTJSA-N -1 0 309.793 3.737 20 0 DHADRM CCCC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCC1 ZINC000811821831 978866844 /nfs/dbraw/zinc/86/68/44/978866844.db2.gz SFAYGSOINKTCIN-UHFFFAOYSA-N -1 0 309.793 3.738 20 0 DHADRM O=C(CCOc1ccccc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160745416 1014533180 /nfs/dbraw/zinc/53/31/80/1014533180.db2.gz BQUKEVRYXDRHCY-UHFFFAOYSA-N -1 0 314.366 3.524 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(F)c(F)c1 ZINC000160747284 1014533230 /nfs/dbraw/zinc/53/32/30/1014533230.db2.gz SFLXOLUVSHOWEF-UHFFFAOYSA-N -1 0 306.293 3.647 20 0 DHADRM Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1C ZINC000818785439 978922961 /nfs/dbraw/zinc/92/29/61/978922961.db2.gz FAZVRJWQLZBCGQ-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM C[C@@](CC(=O)[O-])(NC(=O)C=C1CCCCC1)c1cccc(F)c1 ZINC000823340998 978932326 /nfs/dbraw/zinc/93/23/26/978932326.db2.gz HUNHSCCGGBFCGB-SFHVURJKSA-N -1 0 319.376 3.522 20 0 DHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000827073172 978952722 /nfs/dbraw/zinc/95/27/22/978952722.db2.gz SSQNKPAEEJEQLD-SECBINFHSA-N -1 0 315.822 3.890 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc(F)c2Cl)cc1 ZINC000830513634 979019238 /nfs/dbraw/zinc/01/92/38/979019238.db2.gz FEXMCAIGHBIONN-UHFFFAOYSA-N -1 0 322.723 3.846 20 0 DHADRM Cc1cccc2nc(CNc3cc(Cl)cc(C(=O)[O-])c3)cn21 ZINC000832974453 979063064 /nfs/dbraw/zinc/06/30/64/979063064.db2.gz MQWTYHYNLDHGHG-UHFFFAOYSA-N -1 0 315.760 3.606 20 0 DHADRM C[C@@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001592674299 979084751 /nfs/dbraw/zinc/08/47/51/979084751.db2.gz GLRPIRWEMYGYFH-NSHDSACASA-N -1 0 312.369 3.706 20 0 DHADRM CC[C@H](CC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-])C(C)(C)C ZINC001595029996 979162535 /nfs/dbraw/zinc/16/25/35/979162535.db2.gz IWZNUHFVLZZWQP-KDOFPFPSSA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@@H](CC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-])C(C)(C)C ZINC001595029997 979162648 /nfs/dbraw/zinc/16/26/48/979162648.db2.gz IWZNUHFVLZZWQP-KSSFIOAISA-N -1 0 311.466 3.941 20 0 DHADRM CC[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C(C)(C)C ZINC001595033479 979176197 /nfs/dbraw/zinc/17/61/97/979176197.db2.gz LBKGBOXTZRHQMX-MRXNPFEDSA-N -1 0 317.429 3.732 20 0 DHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)C(C)(C)C ZINC001595033485 979176512 /nfs/dbraw/zinc/17/65/12/979176512.db2.gz LCWMOZIVZSTTNJ-XJKSGUPXSA-N -1 0 323.408 3.838 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595033977 979180352 /nfs/dbraw/zinc/18/03/52/979180352.db2.gz WQUBHAGZRMPMRK-UAGQMJEPSA-N -1 0 319.445 3.507 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001595037967 979205797 /nfs/dbraw/zinc/20/57/97/979205797.db2.gz AVYCIUNOWHYZGM-ZETCQYMHSA-N -1 0 324.682 3.922 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595039112 979212874 /nfs/dbraw/zinc/21/28/74/979212874.db2.gz NOVYPDVZEULAJQ-IUCAKERBSA-N -1 0 322.279 3.869 20 0 DHADRM C[C@@](CNc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC001592728163 979235302 /nfs/dbraw/zinc/23/53/02/979235302.db2.gz BHTZBBUANTUUFT-KRWDZBQOSA-N -1 0 312.394 3.751 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595042687 979237847 /nfs/dbraw/zinc/23/78/47/979237847.db2.gz RIPFZZVLBIUKAL-MRVPVSSYSA-N -1 0 305.346 3.683 20 0 DHADRM CCC(CC)(CC)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC001595057789 979302982 /nfs/dbraw/zinc/30/29/82/979302982.db2.gz KCWLGESFKXNKDI-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM C[C@@H](COC(=O)c1cc(C(=O)[O-])ccc1Cl)CC(F)(F)F ZINC001592771610 979388333 /nfs/dbraw/zinc/38/83/33/979388333.db2.gz HCPWKJQNADHRLL-SSDOTTSWSA-N -1 0 324.682 3.784 20 0 DHADRM CSCC1(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000846114384 979404972 /nfs/dbraw/zinc/40/49/72/979404972.db2.gz UZLLWOXIYZXFFT-UHFFFAOYSA-N -1 0 313.806 3.510 20 0 DHADRM O=C([O-])COc1ccc(NC(=O)/C=C/C2CCCCCC2)cc1 ZINC000846119047 979406659 /nfs/dbraw/zinc/40/66/59/979406659.db2.gz WKKSNGCXRHPZCE-KPKJPENVSA-N -1 0 317.385 3.615 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595105234 979420635 /nfs/dbraw/zinc/42/06/35/979420635.db2.gz GFNNXQWAZMGNAV-SCLBCKFNSA-N -1 0 305.418 3.565 20 0 DHADRM Cc1cc([C@@H](C)N2CCc3c(F)cccc3C2)oc1C(=O)[O-] ZINC000846245377 979422654 /nfs/dbraw/zinc/42/26/54/979422654.db2.gz DWXWYSVGFBIQFK-LLVKDONJSA-N -1 0 303.333 3.545 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595106103 979428496 /nfs/dbraw/zinc/42/84/96/979428496.db2.gz YBGKSXGDGSSBCA-KGLIPLIRSA-N -1 0 305.418 3.561 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595109521 979442915 /nfs/dbraw/zinc/44/29/15/979442915.db2.gz GSUZKNDOPMPYHS-UHFFFAOYSA-N -1 0 305.418 3.982 20 0 DHADRM CCC(CC)CN(CC)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595111734 979459389 /nfs/dbraw/zinc/45/93/89/979459389.db2.gz RVUPTYIRXGQSOJ-LPHOPBHVSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)N(CC)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595114672 979467736 /nfs/dbraw/zinc/46/77/36/979467736.db2.gz YDYRZFQACJMAKN-UHFFFAOYSA-N -1 0 304.312 3.814 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001595125679 979509433 /nfs/dbraw/zinc/50/94/33/979509433.db2.gz FXZVNKYJDXAWRZ-HIFRSBDPSA-N -1 0 309.450 3.837 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595126533 979519171 /nfs/dbraw/zinc/51/91/71/979519171.db2.gz WOEFUGZNOUHUSY-IIDMSEBBSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595126635 979520225 /nfs/dbraw/zinc/52/02/25/979520225.db2.gz XAJUHDLHRODQHZ-GOEBONIOSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](CSc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001592829784 979550182 /nfs/dbraw/zinc/55/01/82/979550182.db2.gz BFGONZOGAHTQGC-LLVKDONJSA-N -1 0 320.439 3.582 20 0 DHADRM C[C@@H](CSc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001592831885 979560214 /nfs/dbraw/zinc/56/02/14/979560214.db2.gz HXNDUVFGDOIPSY-LURJTMIESA-N -1 0 319.354 3.711 20 0 DHADRM CC[C@@H](CNC(=O)C1(C2CCCCC2)CCCCC1)C(=O)[O-] ZINC001595138382 979581719 /nfs/dbraw/zinc/58/17/19/979581719.db2.gz ICDWXUNYLQHTJF-AWEZNQCLSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000853091400 979600641 /nfs/dbraw/zinc/60/06/41/979600641.db2.gz FSFTTYAOCPOBSH-UHFFFAOYSA-N -1 0 324.380 3.648 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000856969892 979615799 /nfs/dbraw/zinc/61/57/99/979615799.db2.gz WXKHUHWIVAHKRK-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CC(C)[C@H]1C[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CS1 ZINC000859819900 979653312 /nfs/dbraw/zinc/65/33/12/979653312.db2.gz JCNHXQHRLLQFAG-XHDPSFHLSA-N -1 0 304.415 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858801 979676907 /nfs/dbraw/zinc/67/69/07/979676907.db2.gz METLFTUYESPCHR-GZBFAFLISA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C2=CCCCCC2)cc1)C(=O)[O-] ZINC001592859008 979679622 /nfs/dbraw/zinc/67/96/22/979679622.db2.gz XDDRAEQMHHBFRG-ZDUSSCGKSA-N -1 0 301.386 3.779 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)N2[C@@H](C)CCC2(C)C)cc1)C(=O)[O-] ZINC001592860997 979694641 /nfs/dbraw/zinc/69/46/41/979694641.db2.gz NLXMKRMBICYFRW-STQMWFEESA-N -1 0 318.417 3.745 20 0 DHADRM Cc1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000864107901 979696154 /nfs/dbraw/zinc/69/61/54/979696154.db2.gz DBIGONCKZREOPY-UHFFFAOYSA-N -1 0 315.413 3.878 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000864108355 979698088 /nfs/dbraw/zinc/69/80/88/979698088.db2.gz VXNBNGPLKJQUCS-SNAWJCMRSA-N -1 0 317.385 3.564 20 0 DHADRM CC(C)(CC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000864120306 979715348 /nfs/dbraw/zinc/71/53/48/979715348.db2.gz HQFRHEDYHFRMGF-UHFFFAOYSA-N -1 0 323.408 3.645 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864128564 979729497 /nfs/dbraw/zinc/72/94/97/979729497.db2.gz LJWLHZYZKICVRO-UONOGXRCSA-N -1 0 311.381 3.615 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C=C1CCC1)c1cccc2ccccc21 ZINC000864147343 979752869 /nfs/dbraw/zinc/75/28/69/979752869.db2.gz KYACJSIWGRTOQA-QGZVFWFLSA-N -1 0 309.365 3.582 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000864152458 979762956 /nfs/dbraw/zinc/76/29/56/979762956.db2.gz HMLBYZDLADXMNF-KRWDZBQOSA-N -1 0 323.392 3.713 20 0 DHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC001592886097 979773210 /nfs/dbraw/zinc/77/32/10/979773210.db2.gz XMTZSYJJWLABRH-SNVBAGLBSA-N -1 0 322.744 3.553 20 0 DHADRM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001592900160 979819822 /nfs/dbraw/zinc/81/98/22/979819822.db2.gz QDQGACUQIWRYHT-VIFPVBQESA-N -1 0 324.427 3.603 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000864177662 979822412 /nfs/dbraw/zinc/82/24/12/979822412.db2.gz QBQTWCGVLBQYGL-GMXABZIVSA-N -1 0 321.804 3.689 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000864191112 979844004 /nfs/dbraw/zinc/84/40/04/979844004.db2.gz ZBPAPMVESYJEOO-GFCCVEGCSA-N -1 0 323.437 3.520 20 0 DHADRM CSCCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225111 979909826 /nfs/dbraw/zinc/90/98/26/979909826.db2.gz MKEZWGGKKWKEIH-UHFFFAOYSA-N -1 0 303.383 3.620 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000864226575 979913119 /nfs/dbraw/zinc/91/31/19/979913119.db2.gz KNXALYPPOLTDBM-INIZCTEOSA-N -1 0 321.376 3.783 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2C)c1 ZINC000864227577 979916872 /nfs/dbraw/zinc/91/68/72/979916872.db2.gz DVRMUZIUUUZZSR-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM CCCCS[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228713 979921372 /nfs/dbraw/zinc/92/13/72/979921372.db2.gz 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CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001594791314 981849025 /nfs/dbraw/zinc/84/90/25/981849025.db2.gz HYXFOSSKFNSBNW-PMUMKWKESA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C2CC2)cc1 ZINC001594791478 981851180 /nfs/dbraw/zinc/85/11/80/981851180.db2.gz JOXYPRWFLLATTA-LJQANCHMSA-N -1 0 315.413 3.670 20 0 DHADRM CC(C)(CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC000910299370 981853794 /nfs/dbraw/zinc/85/37/94/981853794.db2.gz TTXVQRGNXCIZBE-LSDHHAIUSA-N -1 0 301.386 3.640 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595632495 981855651 /nfs/dbraw/zinc/85/56/51/981855651.db2.gz ZUAARPUJACJZGQ-ZBFHGGJFSA-N -1 0 305.418 3.843 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595633294 981869375 /nfs/dbraw/zinc/86/93/75/981869375.db2.gz GVFAREPVHNBGEY-IIDMSEBBSA-N -1 0 324.465 3.632 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001594800810 981890489 /nfs/dbraw/zinc/89/04/89/981890489.db2.gz KMCUNSMRNTXEBF-LBPRGKRZSA-N -1 0 306.406 3.823 20 0 DHADRM CCC(C)(C)CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001594802141 981899800 /nfs/dbraw/zinc/89/98/00/981899800.db2.gz YGSBRUKOTSPYDZ-LBPRGKRZSA-N -1 0 306.406 3.508 20 0 DHADRM CCCC[C@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001595636730 981921656 /nfs/dbraw/zinc/92/16/56/981921656.db2.gz NKAAPKPRXAARBF-AWEZNQCLSA-N -1 0 311.809 3.666 20 0 DHADRM CCCC[C@@H](NC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC001595637906 981938014 /nfs/dbraw/zinc/93/80/14/981938014.db2.gz YOLRGZCGCNGANW-CYBMUJFWSA-N -1 0 305.399 3.583 20 0 DHADRM CCCCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000910623784 982031984 /nfs/dbraw/zinc/03/19/84/982031984.db2.gz LFHMKGCITMPDLH-TZMCWYRMSA-N -1 0 309.406 3.779 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@](C)(CC)C(=O)[O-])CC1 ZINC001594836122 982036795 /nfs/dbraw/zinc/03/67/95/982036795.db2.gz QXUOPANDDCPCGG-UIPMGKATSA-N -1 0 323.477 3.989 20 0 DHADRM CCCC[C@H](SCC(=O)N(C(C)C)C1CCCC1)C(=O)[O-] ZINC001595655454 982045270 /nfs/dbraw/zinc/04/52/70/982045270.db2.gz LNTIGPQXAVEXHY-AWEZNQCLSA-N -1 0 315.479 3.543 20 0 DHADRM CCCC[C@H](S[C@@H]1COc2ccccc2[C@@H]1OC)C(=O)[O-] ZINC001595657033 982058846 /nfs/dbraw/zinc/05/88/46/982058846.db2.gz HBMKJIGZYDBRIB-ZNMIVQPWSA-N -1 0 310.415 3.512 20 0 DHADRM CCCC[C@H](SCc1ncc(Cl)nc1Cl)C(=O)[O-] ZINC001595657289 982062051 /nfs/dbraw/zinc/06/20/51/982062051.db2.gz KKLBSGGOUHGDMT-QMMMGPOBSA-N -1 0 309.218 3.660 20 0 DHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001594842507 982062965 /nfs/dbraw/zinc/06/29/65/982062965.db2.gz UVRAULHNNYAWIK-INIZCTEOSA-N -1 0 318.398 3.893 20 0 DHADRM CCCC[C@H](Sc1nc(CC)nc2sccc21)C(=O)[O-] ZINC001595657741 982065457 /nfs/dbraw/zinc/06/54/57/982065457.db2.gz REDRMHGSXBCKEG-JTQLQIEISA-N -1 0 310.444 3.989 20 0 DHADRM CCCC[C@@H](Sc1nnc(C)n1C1CCCCC1)C(=O)[O-] ZINC001595657800 982066870 /nfs/dbraw/zinc/06/68/70/982066870.db2.gz SRFSWJMYWUMGMS-CYBMUJFWSA-N -1 0 311.451 3.827 20 0 DHADRM CCCCCC(C)(C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001595663335 982083087 /nfs/dbraw/zinc/08/30/87/982083087.db2.gz UVNRLHQDURGHBJ-INIZCTEOSA-N -1 0 319.445 3.795 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001595666238 982098542 /nfs/dbraw/zinc/09/85/42/982098542.db2.gz GNGQPGFCNHFWDN-LPHOPBHVSA-N -1 0 319.445 3.968 20 0 DHADRM CCc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910736735 982098883 /nfs/dbraw/zinc/09/88/83/982098883.db2.gz OMWZSBXMTVBRQA-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595666817 982107242 /nfs/dbraw/zinc/10/72/42/982107242.db2.gz SSGMMXBQCJSNLY-LSPIHWNJSA-N -1 0 309.450 3.599 20 0 DHADRM CCCCC[C@@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)[O-] ZINC001595670522 982119393 /nfs/dbraw/zinc/11/93/93/982119393.db2.gz RBPOKFDCEUTNNV-AYJWMTRPSA-N -1 0 323.820 3.893 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595670671 982120330 /nfs/dbraw/zinc/12/03/30/982120330.db2.gz STAMRIIFFIVJGZ-HOCLYGCPSA-N -1 0 317.429 3.883 20 0 DHADRM CCCCC[C@@H](NC(=O)CCCc1sccc1C)C(=O)[O-] ZINC001595671871 982126758 /nfs/dbraw/zinc/12/67/58/982126758.db2.gz HPGGOJOGUNQWPH-CYBMUJFWSA-N -1 0 311.447 3.529 20 0 DHADRM CCCCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)C(C)(C)C ZINC001595672544 982134420 /nfs/dbraw/zinc/13/44/20/982134420.db2.gz LZNWRKPAEQRMPD-CQSZACIVSA-N -1 0 323.437 3.840 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594861153 982144532 /nfs/dbraw/zinc/14/45/32/982144532.db2.gz ASARFAKJUKAFSX-LHNRBYRGSA-N -1 0 303.402 3.701 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc2ccc(F)cc2s1)C(=O)[O-] ZINC001595676484 982147106 /nfs/dbraw/zinc/14/71/06/982147106.db2.gz KPCWKVLADVDVFZ-LBPRGKRZSA-N -1 0 323.389 3.804 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(C)(C)C ZINC001595676582 982148440 /nfs/dbraw/zinc/14/84/40/982148440.db2.gz NGUFAFBXOIGMTN-RRFJBIMHSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-] ZINC001595677652 982152241 /nfs/dbraw/zinc/15/22/41/982152241.db2.gz ZIZXYUQGEMYUAQ-JYJNAYRXSA-N -1 0 309.450 3.743 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595681780 982164559 /nfs/dbraw/zinc/16/45/59/982164559.db2.gz WBSXZOXOPHCDOO-LBPRGKRZSA-N -1 0 318.200 3.757 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(O[C@H](C)CC)cc1)C(=O)[O-] ZINC001595681992 982165997 /nfs/dbraw/zinc/16/59/97/982165997.db2.gz ZLDLCPHIPLUIPK-CJNGLKHVSA-N -1 0 321.417 3.627 20 0 DHADRM CC[C@@H](C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594865371 982166674 /nfs/dbraw/zinc/16/66/74/982166674.db2.gz FSIHKCWVGNLMAB-SECBINFHSA-N -1 0 315.822 3.891 20 0 DHADRM CSCCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910947556 982172442 /nfs/dbraw/zinc/17/24/42/982172442.db2.gz GUULBCZIPKUCQW-UHFFFAOYSA-N -1 0 313.444 3.579 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001595689377 982185834 /nfs/dbraw/zinc/18/58/34/982185834.db2.gz AUPDVKCBZAXMBP-INIZCTEOSA-N -1 0 317.429 3.889 20 0 DHADRM CCCCC[C@H]1CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595689562 982187717 /nfs/dbraw/zinc/18/77/17/982187717.db2.gz DAIQPPJNURYGSU-AWEZNQCLSA-N -1 0 319.405 3.665 20 0 DHADRM CCCCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595689771 982188868 /nfs/dbraw/zinc/18/88/68/982188868.db2.gz FFQLEPBSBPAAOW-ARFHVFGLSA-N -1 0 324.465 3.774 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001594873845 982196999 /nfs/dbraw/zinc/19/69/99/982196999.db2.gz QHSCKDLFVUJTQQ-CHWSQXEVSA-N -1 0 303.402 3.736 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001595695021 982216316 /nfs/dbraw/zinc/21/63/16/982216316.db2.gz NOBAYOFXLVGOIQ-ZDUSSCGKSA-N -1 0 307.390 3.695 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595695149 982217319 /nfs/dbraw/zinc/21/73/19/982217319.db2.gz PMLOEGQGOSGYAS-BBRMVZONSA-N -1 0 321.417 3.544 20 0 DHADRM CCCCCCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595695536 982219805 /nfs/dbraw/zinc/21/98/05/982219805.db2.gz WJFROBYSADUSJA-UHFFFAOYSA-N -1 0 300.358 3.842 20 0 DHADRM CCCCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595695582 982219855 /nfs/dbraw/zinc/21/98/55/982219855.db2.gz YEWGZQBTKWGOBC-INIZCTEOSA-N -1 0 305.418 3.925 20 0 DHADRM CCCCCC[C@H](C)CC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595697499 982242144 /nfs/dbraw/zinc/24/21/44/982242144.db2.gz KRTAMZMLLXJPLT-LBPRGKRZSA-N -1 0 309.406 3.899 20 0 DHADRM CCCCCC[C@H](CC)C(=O)NCc1ccccc1C(=O)[O-] ZINC001595699126 982256198 /nfs/dbraw/zinc/25/61/98/982256198.db2.gz VPEWBTWHIRPYRY-AWEZNQCLSA-N -1 0 305.418 3.998 20 0 DHADRM CCCCCOc1ccc(Oc2nccnc2C(=O)[O-])cc1 ZINC001595722156 982339638 /nfs/dbraw/zinc/33/96/38/982339638.db2.gz WCURVEHCVJRMKN-UHFFFAOYSA-N -1 0 302.330 3.536 20 0 DHADRM CCCCN(C(=O)CC1(CC(=O)[O-])CCCC1)c1cccnc1 ZINC001595731683 982363120 /nfs/dbraw/zinc/36/31/20/982363120.db2.gz DXPUXLASNBJELA-UHFFFAOYSA-N -1 0 318.417 3.640 20 0 DHADRM CCCCN(C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)[C@H](C)CC ZINC001595731930 982364888 /nfs/dbraw/zinc/36/48/88/982364888.db2.gz KZVVZEOUZJGLEO-LLVKDONJSA-N -1 0 308.422 3.625 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001594911328 982414383 /nfs/dbraw/zinc/41/43/83/982414383.db2.gz BDLFBUPMTOEIIY-SWLSCSKDSA-N -1 0 305.418 3.603 20 0 DHADRM CCNc1cc(C)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911454248 982439647 /nfs/dbraw/zinc/43/96/47/982439647.db2.gz PPEJOEVNIFMDHC-UHFFFAOYSA-N -1 0 318.417 3.791 20 0 DHADRM CCCCOC(=O)CSCc1c(Cl)cccc1C(=O)[O-] ZINC001595764242 982478487 /nfs/dbraw/zinc/47/84/87/982478487.db2.gz ITQZODHDWYSJNM-UHFFFAOYSA-N -1 0 316.806 3.615 20 0 DHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001594928796 982542995 /nfs/dbraw/zinc/54/29/95/982542995.db2.gz MVCGPVOFJYOPJN-MEDUHNTESA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001594928903 982543835 /nfs/dbraw/zinc/54/38/35/982543835.db2.gz PBOFFTJENIKHTQ-GXFFZTMASA-N -1 0 308.378 3.603 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-] ZINC001594930087 982550405 /nfs/dbraw/zinc/55/04/05/982550405.db2.gz VMZLYHXEHBFCDR-WCQYABFASA-N -1 0 320.414 3.945 20 0 DHADRM CCCCOc1cccc(NCc2cc(C(=O)[O-])n(C)c2)c1 ZINC001595780902 982555490 /nfs/dbraw/zinc/55/54/90/982555490.db2.gz LPIOOSMZIZSNHG-UHFFFAOYSA-N -1 0 302.374 3.514 20 0 DHADRM Cc1ccc(/C=C\CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000581436656 1014859408 /nfs/dbraw/zinc/85/94/08/1014859408.db2.gz ANJKKOUZVWMPKQ-POKLJVKSSA-N -1 0 315.413 3.502 20 0 DHADRM CC[C@H](C)CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594934638 982581773 /nfs/dbraw/zinc/58/17/73/982581773.db2.gz NHJUSDHIPKPVII-NSHDSACASA-N -1 0 317.341 3.519 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001594937046 982597367 /nfs/dbraw/zinc/59/73/67/982597367.db2.gz QRPDJTKLRIBHHL-NXSPZCGBSA-N -1 0 311.466 3.845 20 0 DHADRM CC[C@@H](C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])C1CCC(C)CC1 ZINC001594937045 982597409 /nfs/dbraw/zinc/59/74/09/982597409.db2.gz QRPDJTKLRIBHHL-CHQKBHSXSA-N -1 0 311.466 3.845 20 0 DHADRM CCCCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001595794068 982597890 /nfs/dbraw/zinc/59/78/90/982597890.db2.gz YFZTVXFZWZYOAS-UHFFFAOYSA-N -1 0 312.365 3.876 20 0 DHADRM CCCCc1nc(Cn2nc(C)c([C@H](C)C(=O)[O-])c2C)cs1 ZINC001595799475 982613883 /nfs/dbraw/zinc/61/38/83/982613883.db2.gz TVEDRKYTMMCYOI-JTQLQIEISA-N -1 0 321.446 3.535 20 0 DHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccsc2)ccc1Cl ZINC000914730625 982657282 /nfs/dbraw/zinc/65/72/82/982657282.db2.gz WAWJTGOEFIOTDV-RJRFIUFISA-N -1 0 307.758 3.752 20 0 DHADRM CCCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595816071 982670050 /nfs/dbraw/zinc/67/00/50/982670050.db2.gz GFLDAWOMRLROSM-QWHCGFSZSA-N -1 0 323.820 3.974 20 0 DHADRM CC[C@H](C)C[C@@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594952796 982673555 /nfs/dbraw/zinc/67/35/55/982673555.db2.gz MTKCLJXEWKUSIV-TVQRCGJNSA-N -1 0 307.781 3.585 20 0 DHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(CC)cc1 ZINC001595816643 982673984 /nfs/dbraw/zinc/67/39/84/982673984.db2.gz JQUPKHNHBBRDOG-HZPDHXFCSA-N -1 0 317.429 3.883 20 0 DHADRM CCCN(C(=O)CCCCCc1cccs1)[C@@H](C)C(=O)[O-] ZINC001595817548 982681550 /nfs/dbraw/zinc/68/15/50/982681550.db2.gz UVNCVXLPTKNSCK-ZDUSSCGKSA-N -1 0 311.447 3.563 20 0 DHADRM CC[C@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594956857 982690286 /nfs/dbraw/zinc/69/02/86/982690286.db2.gz HKEMYJOBYMEDIP-SCLBCKFNSA-N -1 0 313.397 3.908 20 0 DHADRM CCCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000920218831 982691606 /nfs/dbraw/zinc/69/16/06/982691606.db2.gz IIYCEAJQYYPNPL-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594958146 982695444 /nfs/dbraw/zinc/69/54/44/982695444.db2.gz RRNMCJBPMDERMQ-XPTSAGLGSA-N -1 0 315.772 3.547 20 0 DHADRM CC[C@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594958536 982698627 /nfs/dbraw/zinc/69/86/27/982698627.db2.gz VUKAMOGHIOFPQI-LBPRGKRZSA-N -1 0 307.390 3.937 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000923054126 982699397 /nfs/dbraw/zinc/69/93/97/982699397.db2.gz JARAUCGNNPDBKL-WCXIOVBPSA-N -1 0 315.413 3.535 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000923075663 982708379 /nfs/dbraw/zinc/70/83/79/982708379.db2.gz LHQFTMOBWRCCCO-KGLIPLIRSA-N -1 0 301.386 3.635 20 0 DHADRM CCCN(CC(=O)[O-])C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001595848522 982777967 /nfs/dbraw/zinc/77/79/67/982777967.db2.gz VCSGINFCAWPZDQ-UHFFFAOYSA-N -1 0 319.445 3.531 20 0 DHADRM C[C@@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000614688499 1014885941 /nfs/dbraw/zinc/88/59/41/1014885941.db2.gz MOFHCSYOGDQTHA-ZDUSSCGKSA-N -1 0 323.421 3.759 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595872792 982861117 /nfs/dbraw/zinc/86/11/17/982861117.db2.gz JCKGZILCXUOCEZ-ZDUSSCGKSA-N -1 0 306.406 3.604 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/C2CCCCC2)cc1 ZINC001116491168 982930977 /nfs/dbraw/zinc/93/09/77/982930977.db2.gz HDEGUPJDZPPKJS-XLNAKTSKSA-N -1 0 315.413 3.764 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001595014569 982953783 /nfs/dbraw/zinc/95/37/83/982953783.db2.gz VUTDLKSGAIETCV-DNOWBOINSA-N -1 0 318.417 3.965 20 0 DHADRM CC(C)c1nc(CN[C@@H](CC2CCCCC2)C(=O)[O-])cs1 ZINC001119602818 983003380 /nfs/dbraw/zinc/00/33/80/983003380.db2.gz ZYJGPAXMMGRIBV-AWEZNQCLSA-N -1 0 310.463 3.780 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4cc[nH]c4c3)(CC1)CC2 ZINC001119643948 983011593 /nfs/dbraw/zinc/01/15/93/983011593.db2.gz GORNOROILQUODI-UHFFFAOYSA-N -1 0 312.369 3.532 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)s1 ZINC000443416251 1014904803 /nfs/dbraw/zinc/90/48/03/1014904803.db2.gz HSORIVUTWCHRJI-UHFFFAOYSA-N -1 0 310.444 3.630 20 0 DHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1cncc(F)c1 ZINC000443449784 1014918097 /nfs/dbraw/zinc/91/80/97/1014918097.db2.gz WAWDANSIQUIWMB-SREVYHEPSA-N -1 0 321.311 3.546 20 0 DHADRM 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324.789 3.700 20 0 DHADRM CCCc1cc(OC)c(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001596058078 983364621 /nfs/dbraw/zinc/36/46/21/983364621.db2.gz FTHQFARRTKHPSD-UHFFFAOYSA-N -1 0 320.341 3.527 20 0 DHADRM CCCc1ccc([C@@H](NC(=O)[C@@H](CC)C(=O)[O-])C(C)C)cc1 ZINC001596062182 983370713 /nfs/dbraw/zinc/37/07/13/983370713.db2.gz ATFBKHVHKKPMSE-CVEARBPZSA-N -1 0 305.418 3.563 20 0 DHADRM CCCc1ccc(CCCC(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1 ZINC001596062260 983371724 /nfs/dbraw/zinc/37/17/24/983371724.db2.gz CZLKBVYIKOMBRZ-HNNXBMFYSA-N -1 0 319.445 3.674 20 0 DHADRM CCCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001596069284 983383385 /nfs/dbraw/zinc/38/33/85/983383385.db2.gz WGOQOMLRAAZZTR-UHFFFAOYSA-N -1 0 318.398 3.721 20 0 DHADRM CCCc1cnc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC001596081517 983395939 /nfs/dbraw/zinc/39/59/39/983395939.db2.gz BJFYPUNNJZQKPR-UHFFFAOYSA-N -1 0 324.789 3.700 20 0 DHADRM CCCc1nc(C)c(COc2ccc(Cl)cc2C(=O)[O-])o1 ZINC001596082866 983402854 /nfs/dbraw/zinc/40/28/54/983402854.db2.gz 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/nfs/dbraw/zinc/52/30/26/983523026.db2.gz XNNXCBUERFZXBT-UHFFFAOYSA-N -1 0 308.403 3.730 20 0 DHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC001596164301 983526856 /nfs/dbraw/zinc/52/68/56/983526856.db2.gz LGIVLGVUZCSKHB-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001596167109 983531421 /nfs/dbraw/zinc/53/14/21/983531421.db2.gz HMVVRMOZVWIMPC-VQHVLOKHSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1cc(C)cc(C)c1 ZINC001596167220 983531809 /nfs/dbraw/zinc/53/18/09/983531809.db2.gz LLUIKGGZEYMBNH-UHFFFAOYSA-N -1 0 311.381 3.977 20 0 DHADRM CCN(CC(C)(C)C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001596228716 983620393 /nfs/dbraw/zinc/62/03/93/983620393.db2.gz QQXPEGGGNMNCLB-ZDUSSCGKSA-N -1 0 320.433 3.850 20 0 DHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001596347894 983801114 /nfs/dbraw/zinc/80/11/14/983801114.db2.gz UBLHYGXBKOEOHN-UHFFFAOYSA-N -1 0 318.398 3.543 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1occc1C ZINC001596354195 983814787 /nfs/dbraw/zinc/81/47/87/983814787.db2.gz CMZSUNQUBLSPRS-UHFFFAOYSA-N -1 0 304.390 3.760 20 0 DHADRM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1c(F)cccc1F ZINC001596359254 983833279 /nfs/dbraw/zinc/83/32/79/983833279.db2.gz ASDOUWOSXNNZAS-CMDGGOBGSA-N -1 0 321.323 3.678 20 0 DHADRM CCN(Cc1cccc(Cl)c1)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001596364411 983846281 /nfs/dbraw/zinc/84/62/81/983846281.db2.gz DOBABIXPOXHQHT-SNVBAGLBSA-N -1 0 308.765 3.609 20 0 DHADRM C[C@H](c1ccco1)N(C)C(=O)c1ccc(Br)cc1O ZINC000093939833 1014988381 /nfs/dbraw/zinc/98/83/81/1014988381.db2.gz BSMSDMWSSSBAGQ-SECBINFHSA-N -1 0 324.174 3.581 20 0 DHADRM C=C/C=C\CCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588721586 983972347 /nfs/dbraw/zinc/97/23/47/983972347.db2.gz QCXFVQGOOIBWAD-ARJAWSKDSA-N -1 0 310.353 3.792 20 0 DHADRM CCC(CC)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)on1 ZINC000129515011 1015016616 /nfs/dbraw/zinc/01/66/16/1015016616.db2.gz HFZWMQIWEBWJFA-UHFFFAOYSA-N -1 0 306.391 3.559 20 0 DHADRM CCNc1ccc(Cl)cc1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596503840 984256603 /nfs/dbraw/zinc/25/66/03/984256603.db2.gz AUZXCQTZYTWYLA-UHFFFAOYSA-N -1 0 322.748 3.624 20 0 DHADRM O=C(CCCOCc1ccccc1)Nc1cccc(Cl)c1[O-] ZINC000522312682 1015020624 /nfs/dbraw/zinc/02/06/24/1015020624.db2.gz MXLLVPHWLFJZHA-UHFFFAOYSA-N -1 0 319.788 3.981 20 0 DHADRM CCOC(=O)[C@H](CC)SCc1cc(C(=O)[O-])ccc1Cl ZINC001596527639 984345402 /nfs/dbraw/zinc/34/54/02/984345402.db2.gz KTJNYTQKRVRPNB-LBPRGKRZSA-N -1 0 316.806 3.613 20 0 DHADRM CSc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)o1 ZINC000909513407 1015033077 /nfs/dbraw/zinc/03/30/77/1015033077.db2.gz PHLICDUFTWTDCA-UHFFFAOYSA-N -1 0 319.382 3.877 20 0 DHADRM C=Cc1ccccc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588921939 984580935 /nfs/dbraw/zinc/58/09/35/984580935.db2.gz QAPAEIHKJLLEDN-UHFFFAOYSA-N -1 0 322.364 3.618 20 0 DHADRM C/C(=C/C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1cccs1 ZINC001588933002 984610968 /nfs/dbraw/zinc/61/09/68/984610968.db2.gz 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ZINC001588952912 984689689 /nfs/dbraw/zinc/68/96/89/984689689.db2.gz DPDVWAYWWAVQEX-DWOQACPDSA-N -1 0 318.300 3.825 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001599890788 984690892 /nfs/dbraw/zinc/69/08/92/984690892.db2.gz FAIBXKUEDWLOJS-CQSZACIVSA-N -1 0 309.450 3.887 20 0 DHADRM C/C(=C\C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588953327 984694269 /nfs/dbraw/zinc/69/42/69/984694269.db2.gz OMDVEXLDZDYKPW-ZHACJKMWSA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C/C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588953326 984694411 /nfs/dbraw/zinc/69/44/11/984694411.db2.gz OMDVEXLDZDYKPW-KHPPLWFESA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588953465 984695904 /nfs/dbraw/zinc/69/59/04/984695904.db2.gz RNUDNGZNVRKOAP-VOMSXAGXSA-N -1 0 303.402 3.538 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001588953618 984697785 /nfs/dbraw/zinc/69/77/85/984697785.db2.gz XHFGKVMTPHYAFI-QXMHVHEDSA-N -1 0 301.386 3.656 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588956412 984703113 /nfs/dbraw/zinc/70/31/13/984703113.db2.gz OAHVDANCJGLITR-JYRVWZFOSA-N -1 0 319.401 3.675 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588956413 984703523 /nfs/dbraw/zinc/70/35/23/984703523.db2.gz OAHVDANCJGLITR-MDWZMJQESA-N -1 0 319.401 3.675 20 0 DHADRM C/C(=C/CN1CC(C)(C)c2ccc(Br)cc21)C(=O)[O-] ZINC001588958319 984711577 /nfs/dbraw/zinc/71/15/77/984711577.db2.gz FDASLIAICYLEOC-POHAHGRESA-N -1 0 324.218 3.578 20 0 DHADRM C/C(=C/C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C(=O)[O-] ZINC001588959175 984720277 /nfs/dbraw/zinc/72/02/77/984720277.db2.gz WJUKDKPSBAQGPM-PTNGSMBKSA-N -1 0 313.372 3.859 20 0 DHADRM C/C(=C/CN(Cc1ccco1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588959388 984723003 /nfs/dbraw/zinc/72/30/03/984723003.db2.gz YEYMQGRJTIWHOZ-WQLSENKSSA-N -1 0 305.761 3.971 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599904428 984904143 /nfs/dbraw/zinc/90/41/43/984904143.db2.gz 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984985734 /nfs/dbraw/zinc/98/57/34/984985734.db2.gz TUWMTBMVQKYPEG-VQHVLOKHSA-N -1 0 306.701 3.640 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1)C(=O)[O-] ZINC000909519288 1015092490 /nfs/dbraw/zinc/09/24/90/1015092490.db2.gz GXJUOIHZCDXEER-ZIAGYGMSSA-N -1 0 301.386 3.635 20 0 DHADRM C[C@H]1CN(C(=O)CC(C)(C)C2CCCCC2)CC[C@H]1C(=O)[O-] ZINC001599915553 985050437 /nfs/dbraw/zinc/05/04/37/985050437.db2.gz KUNHFCSEXZTTJM-DZGCQCFKSA-N -1 0 309.450 3.552 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262224415 1015102738 /nfs/dbraw/zinc/10/27/38/1015102738.db2.gz RMUOXQXLFOAGPL-WMLDXEAASA-N -1 0 317.429 3.804 20 0 DHADRM CCO[C@@H](C)c1nc(CSCC(C)(C)C(=O)[O-])cs1 ZINC001596776133 985211415 /nfs/dbraw/zinc/21/14/15/985211415.db2.gz HAQWDXIZBRSYST-VIFPVBQESA-N -1 0 303.449 3.585 20 0 DHADRM Cc1nc(=O)[nH]c(SCc2ccccc2C(C)C)c1C(=O)[O-] ZINC001599942258 985468847 /nfs/dbraw/zinc/46/88/47/985468847.db2.gz XGDRAJDYEQMNMU-UHFFFAOYSA-N -1 0 318.398 3.605 20 0 DHADRM CC(=O)Nc1c(C)ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c1C ZINC001589165287 985503911 /nfs/dbraw/zinc/50/39/11/985503911.db2.gz CVRKTJCYIZVZFY-LBPRGKRZSA-N -1 0 320.433 3.953 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1)C(=O)[O-] ZINC001594478772 985507601 /nfs/dbraw/zinc/50/76/01/985507601.db2.gz FEXBAWZFHLFSSU-QWHCGFSZSA-N -1 0 318.417 3.602 20 0 DHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594481643 985530579 /nfs/dbraw/zinc/53/05/79/985530579.db2.gz XQKNKJKBHGBIOW-IINYFYTJSA-N -1 0 316.382 3.671 20 0 DHADRM Cc1[nH]c(C(=O)COc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599948170 985563696 /nfs/dbraw/zinc/56/36/96/985563696.db2.gz VGWRFMQTRXNZQI-UHFFFAOYSA-N -1 0 315.369 3.715 20 0 DHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001599948981 985575115 /nfs/dbraw/zinc/57/51/15/985575115.db2.gz UTFXULGLPSNIHR-JTQLQIEISA-N -1 0 321.373 3.832 20 0 DHADRM CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCCCCC(=O)[O-] ZINC000656766542 1015138732 /nfs/dbraw/zinc/13/87/32/1015138732.db2.gz XLILYANGAZKSQS-INIZCTEOSA-N -1 0 323.408 3.623 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C2CCC2)cc1 ZINC001599956728 985700622 /nfs/dbraw/zinc/70/06/22/985700622.db2.gz MVNXDDKIDXQOGL-UHFFFAOYSA-N -1 0 312.369 3.850 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@@H](C)CCCC(F)(F)F ZINC001599958299 985727117 /nfs/dbraw/zinc/72/71/17/985727117.db2.gz YAXYWPUMKCEJEQ-ZETCQYMHSA-N -1 0 321.295 3.608 20 0 DHADRM CC(=O)c1c(C)cc(OCc2csc(C(=O)[O-])c2)cc1C ZINC001589254348 985883644 /nfs/dbraw/zinc/88/36/44/985883644.db2.gz HXCHZWCOJBWJKT-UHFFFAOYSA-N -1 0 304.367 3.845 20 0 DHADRM CC(=O)c1c(C)cc(OCc2cc(C(=O)[O-])c(C)o2)cc1C ZINC001589254837 985886179 /nfs/dbraw/zinc/88/61/79/985886179.db2.gz NTLGQJOJMCWPKO-UHFFFAOYSA-N -1 0 302.326 3.685 20 0 DHADRM CC(=O)c1cc(Cl)ccc1OC[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001589268563 985955777 /nfs/dbraw/zinc/95/57/77/985955777.db2.gz UVLJFWRRWSYQDY-WCQYABFASA-N -1 0 310.777 3.812 20 0 DHADRM CC(=O)c1cc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC001589268557 985956131 /nfs/dbraw/zinc/95/61/31/985956131.db2.gz USWDQJLVRVDESV-UHFFFAOYSA-N -1 0 324.741 3.522 20 0 DHADRM CC(=O)c1cccc(OCc2cc(C(=O)[O-])ccc2Cl)c1F ZINC001589314303 986106545 /nfs/dbraw/zinc/10/65/45/986106545.db2.gz XCNUDZVZBYJKBH-UHFFFAOYSA-N -1 0 322.719 3.959 20 0 DHADRM CCOCc1cccc(Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001596950067 986107639 /nfs/dbraw/zinc/10/76/39/986107639.db2.gz RBSDAXFCPKZEJE-UHFFFAOYSA-N -1 0 306.749 3.713 20 0 DHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc21 ZINC001594535261 986146860 /nfs/dbraw/zinc/14/68/60/986146860.db2.gz MJHGRFYAZIKCCY-ZDUSSCGKSA-N -1 0 310.397 3.646 20 0 DHADRM Cc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccn1C(C)C ZINC001599983742 986200492 /nfs/dbraw/zinc/20/04/92/986200492.db2.gz NTLRGYGUWZFMRK-UHFFFAOYSA-N -1 0 322.311 3.606 20 0 DHADRM C[C@@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC001589342627 986270829 /nfs/dbraw/zinc/27/08/29/986270829.db2.gz OTQFIXMTYHRVDB-CQSZACIVSA-N -1 0 317.429 3.705 20 0 DHADRM C[C@@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001589358390 986347893 /nfs/dbraw/zinc/34/78/93/986347893.db2.gz ASOTUXRIPNPFHK-CYBMUJFWSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001589407546 986599836 /nfs/dbraw/zinc/59/98/36/986599836.db2.gz VCIKNRSJNMQDBC-GFCCVEGCSA-N -1 0 323.820 3.595 20 0 DHADRM C[C@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(F)(F)F ZINC001589428840 986705271 /nfs/dbraw/zinc/70/52/71/986705271.db2.gz KFGZATQUFQJSHW-MRVPVSSYSA-N -1 0 311.259 3.675 20 0 DHADRM CCOc1ccc(CN2CCc3cc(C(=O)[O-])ccc32)c(C)c1 ZINC001597102304 986728980 /nfs/dbraw/zinc/72/89/80/986728980.db2.gz UMZCPZMVLMKPTE-UHFFFAOYSA-N -1 0 311.381 3.655 20 0 DHADRM CCOc1ccc(Cl)c(NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001597105718 986741158 /nfs/dbraw/zinc/74/11/58/986741158.db2.gz JMHDJLDOFLHGDF-UHFFFAOYSA-N -1 0 309.749 3.950 20 0 DHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1F ZINC001597112934 986783325 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C[C@@H](C(=O)[O-])[C@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC001589467872 986926169 /nfs/dbraw/zinc/92/61/69/986926169.db2.gz AEVQJYUVGACZFB-SKDRFNHKSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H]1Sc2ccccc2N(Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC001594665743 986960621 /nfs/dbraw/zinc/96/06/21/986960621.db2.gz KXDKLYMXRVATGY-VXGBXAGGSA-N -1 0 314.410 3.669 20 0 DHADRM C[C@@H]1c2c(F)cccc2CCN1c1ncc(C(=O)[O-])cc1Cl ZINC001594666402 986965286 /nfs/dbraw/zinc/96/52/86/986965286.db2.gz VIMVDDKIDXTVEQ-SECBINFHSA-N -1 0 320.751 3.696 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)CCCc1ccccc1Cl)C1CCC1 ZINC001589472155 986965603 /nfs/dbraw/zinc/96/56/03/986965603.db2.gz NPUJPETYBSIIBQ-GFCCVEGCSA-N -1 0 323.820 3.517 20 0 DHADRM C/C=C(/CC)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594676653 987008084 /nfs/dbraw/zinc/00/80/84/987008084.db2.gz RFQNCHXYENSMKN-PPFSTCQPSA-N -1 0 316.275 3.888 20 0 DHADRM C/C=C(\CC)C(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594676873 987009367 /nfs/dbraw/zinc/00/93/67/987009367.db2.gz SKAMHHMKCDOABN-AHAUYKDXSA-N -1 0 316.275 3.731 20 0 DHADRM C/C=C(/CC)C(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594676876 987009731 /nfs/dbraw/zinc/00/97/31/987009731.db2.gz SKAMHHMKCDOABN-PPFSTCQPSA-N -1 0 316.275 3.731 20 0 DHADRM C/C=C(/C=C\C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)CC ZINC001594677441 987015090 /nfs/dbraw/zinc/01/50/90/987015090.db2.gz NEQOHYCOVNSGNY-VVVZWJRVSA-N -1 0 323.392 3.994 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1csc(-c2ccccc2)n1)C1CCC1 ZINC001589487300 987046101 /nfs/dbraw/zinc/04/61/01/987046101.db2.gz YNQQILHUNAUEEX-GFCCVEGCSA-N -1 0 316.426 3.638 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001594686206 987062580 /nfs/dbraw/zinc/06/25/80/987062580.db2.gz PUGXOLGWCUXLNX-KXMPLOMGSA-N -1 0 308.403 3.656 20 0 DHADRM CC/C(=C\C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(C)cc1 ZINC001594690734 987083134 /nfs/dbraw/zinc/08/31/34/987083134.db2.gz ABSQGQUEHJLRNV-YEQVNJDRSA-N -1 0 315.413 3.643 20 0 DHADRM CC/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccc(C)cc1 ZINC001594691365 987090949 /nfs/dbraw/zinc/09/09/49/987090949.db2.gz RWNPVIJLPBDBFU-NCZAWXAYSA-N -1 0 315.413 3.500 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC001589502280 987103534 /nfs/dbraw/zinc/10/35/34/987103534.db2.gz DLLBADHCGGEFEN-PWNZVWSESA-N -1 0 303.402 3.886 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccsc2)cc1 ZINC001589502713 987105409 /nfs/dbraw/zinc/10/54/09/987105409.db2.gz IKLGTFCIQNOBQE-JNWMYZIBSA-N -1 0 301.367 3.588 20 0 DHADRM CC/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001594694344 987107486 /nfs/dbraw/zinc/10/74/86/987107486.db2.gz VKMNDNCPJJBZKT-TYZQSYOASA-N -1 0 316.378 3.911 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC001589507629 987124174 /nfs/dbraw/zinc/12/41/74/987124174.db2.gz BQPOQFYQDWJMGI-NWDGAFQWSA-N -1 0 304.390 3.670 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC3(CCC3)C[C@H]2C)cc1 ZINC001589510771 987136461 /nfs/dbraw/zinc/13/64/61/987136461.db2.gz WBHIOPXXVRHAIK-CHWSQXEVSA-N 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CC[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C)c(F)c1 ZINC001597286148 987366362 /nfs/dbraw/zinc/36/63/62/987366362.db2.gz NIXTUYYMDXBOKM-IJEWVQPXSA-N -1 0 321.392 3.592 20 0 DHADRM CC(C)(C(=O)[O-])C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC001589588947 987389054 /nfs/dbraw/zinc/38/90/54/987389054.db2.gz PJFDEEMSQWLDDD-UHFFFAOYSA-N -1 0 314.406 3.710 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NCc1ncc(Cl)s1)c1ccccc1 ZINC001589602065 987431193 /nfs/dbraw/zinc/43/11/93/987431193.db2.gz VMDOLOLQINWFOS-CYBMUJFWSA-N -1 0 324.833 3.738 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001597315401 987440066 /nfs/dbraw/zinc/44/00/66/987440066.db2.gz WOTAWIZCNGMBPC-USPMSXPRSA-N -1 0 311.466 3.845 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1F ZINC001597336363 987473417 /nfs/dbraw/zinc/47/34/17/987473417.db2.gz MGTRNBWPUQMMKG-NSHDSACASA-N -1 0 322.361 3.858 20 0 DHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\c1ccccc1 ZINC001589617260 987491445 /nfs/dbraw/zinc/49/14/45/987491445.db2.gz 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O=C(Cc1cccc(F)c1F)Nc1cc(F)cc(Cl)c1[O-] ZINC000474433629 1015357985 /nfs/dbraw/zinc/35/79/85/1015357985.db2.gz UZQRBPYIEYQQDU-UHFFFAOYSA-N -1 0 315.678 3.644 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC[C@@H](O)c2ccc(F)cc2C)c1 ZINC001597506963 988079284 /nfs/dbraw/zinc/07/92/84/988079284.db2.gz PBNBLIADOCNOCL-MRXNPFEDSA-N -1 0 318.344 3.507 20 0 DHADRM CCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1CC ZINC001597509180 988090172 /nfs/dbraw/zinc/09/01/72/988090172.db2.gz ZVHFVDMSSZTFJH-UHFFFAOYSA-N -1 0 312.365 3.658 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001597511761 988093270 /nfs/dbraw/zinc/09/32/70/988093270.db2.gz HHHVJCHGQULTMM-CQSZACIVSA-N -1 0 317.429 3.598 20 0 DHADRM CC(C)(C)C[C@H]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1(C)C ZINC001589764537 988104085 /nfs/dbraw/zinc/10/40/85/988104085.db2.gz MZQUFMGJOCAJDG-QLFBSQMISA-N -1 0 323.477 3.941 20 0 DHADRM Cn1cnc2ccc(-c3ccc4c(c3)CC[C@@]43C[C@@H]3C(=O)[O-])cc21 ZINC000581835600 1015361172 /nfs/dbraw/zinc/36/11/72/1015361172.db2.gz FKSONKADZNHMEH-OXQOHEQNSA-N -1 0 318.376 3.529 20 0 DHADRM O=C(CSc1ccccc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474443331 1015362793 /nfs/dbraw/zinc/36/27/93/1015362793.db2.gz CRAMHISVYXUGQA-UHFFFAOYSA-N -1 0 311.765 3.916 20 0 DHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C(=O)[O-])no2)o1 ZINC001597516853 988130328 /nfs/dbraw/zinc/13/03/28/988130328.db2.gz GRGYXSIGZQXRTC-XHDPSFHLSA-N -1 0 318.373 3.501 20 0 DHADRM CCc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474442039 1015363911 /nfs/dbraw/zinc/36/39/11/1015363911.db2.gz TUUQUIUDRDIXPB-UHFFFAOYSA-N -1 0 307.752 3.928 20 0 DHADRM CC(C)(C)CCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589777238 988144455 /nfs/dbraw/zinc/14/44/55/988144455.db2.gz YASFBQWCIGMJSY-UHFFFAOYSA-N -1 0 316.760 3.735 20 0 DHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589780235 988149443 /nfs/dbraw/zinc/14/94/43/988149443.db2.gz ULXBLUYJKCELAV-ZIAGYGMSSA-N -1 0 311.466 3.798 20 0 DHADRM CSCCCCCNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599799309 988150097 /nfs/dbraw/zinc/15/00/97/988150097.db2.gz DEUVTAGTILIDGP-UHFFFAOYSA-N -1 0 322.352 3.744 20 0 DHADRM CSCc1ccc(-c2noc(-c3cc(C(=O)[O-])co3)n2)cc1 ZINC001599802691 988203518 /nfs/dbraw/zinc/20/35/18/988203518.db2.gz VMDZZNBZLKGHNA-UHFFFAOYSA-N -1 0 316.338 3.558 20 0 DHADRM CSCc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599803164 988211201 /nfs/dbraw/zinc/21/12/01/988211201.db2.gz NTJAYQVXQZBBKF-SECBINFHSA-N -1 0 308.428 3.877 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c(C(=O)[O-])c1 ZINC001597543101 988237413 /nfs/dbraw/zinc/23/74/13/988237413.db2.gz STUVOTWTWKNSRS-KGLIPLIRSA-N -1 0 301.386 3.712 20 0 DHADRM CSc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC001599807250 988276267 /nfs/dbraw/zinc/27/62/67/988276267.db2.gz KXGFCIVYDKQJNJ-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CCc1ccc2occ(C(=O)N(CC(=O)[O-])c3ccccc3)c2c1 ZINC001597570476 988345360 /nfs/dbraw/zinc/34/53/60/988345360.db2.gz LBJHSMOYXVKQLC-UHFFFAOYSA-N -1 0 323.348 3.727 20 0 DHADRM CCc1ccc2ccccc2c1CNc1cc(C(=O)[O-])ncn1 ZINC001597570570 988346260 /nfs/dbraw/zinc/34/62/60/988346260.db2.gz QEFUEEJIBXOBNP-UHFFFAOYSA-N -1 0 307.353 3.503 20 0 DHADRM CSc1ccc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)cc1 ZINC001599811780 988349050 /nfs/dbraw/zinc/34/90/50/988349050.db2.gz AJMPJRLDDWNOCY-UVTDQMKNSA-N -1 0 310.378 3.910 20 0 DHADRM CSc1ccc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)cc1 ZINC001599811779 988349115 /nfs/dbraw/zinc/34/91/15/988349115.db2.gz AJMPJRLDDWNOCY-GXDHUFHOSA-N -1 0 310.378 3.910 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCCc1cccs1 ZINC001597571733 988351786 /nfs/dbraw/zinc/35/17/86/988351786.db2.gz GGPVNIBHLORQEE-UHFFFAOYSA-N -1 0 317.410 3.970 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001597572319 988354367 /nfs/dbraw/zinc/35/43/67/988354367.db2.gz JPDBHUXWRCSJBJ-UONOGXRCSA-N -1 0 315.394 3.751 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599813961 988386969 /nfs/dbraw/zinc/38/69/69/988386969.db2.gz CNQZGOUAEMBWJG-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CSc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001599814566 988398726 /nfs/dbraw/zinc/39/87/26/988398726.db2.gz QFNVZMKCVADIRS-UHFFFAOYSA-N -1 0 322.411 3.837 20 0 DHADRM CSc1ccc(NC(=O)N2CC(C)(C)C[C@H]2C)cc1C(=O)[O-] ZINC001599816136 988428339 /nfs/dbraw/zinc/42/83/39/988428339.db2.gz AYSFDACBAPXCLW-SNVBAGLBSA-N -1 0 322.430 3.759 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC)cc1C ZINC001597594782 988433708 /nfs/dbraw/zinc/43/37/08/988433708.db2.gz UIQJIKGJOKSLNH-UHFFFAOYSA-N -1 0 313.353 3.517 20 0 DHADRM CSc1ccc(NC(=O)c2cc(C)ccc2F)cc1C(=O)[O-] ZINC001599818053 988462535 /nfs/dbraw/zinc/46/25/35/988462535.db2.gz YNVJQMHKFVRENU-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CCc1cccc2cc(CN[C@H](C(=O)[O-])c3cccs3)oc21 ZINC001597603564 988469488 /nfs/dbraw/zinc/46/94/88/988469488.db2.gz ITQMFCLLVBYNPG-HNNXBMFYSA-N -1 0 315.394 3.972 20 0 DHADRM CSc1cccc(N(C)c2nc(CCC(=O)[O-])cs2)c1 ZINC001599821716 988525308 /nfs/dbraw/zinc/52/53/08/988525308.db2.gz FYAUHLNMAWJNHT-UHFFFAOYSA-N -1 0 308.428 3.650 20 0 DHADRM CCc1cccnc1C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl ZINC001597621850 988552980 /nfs/dbraw/zinc/55/29/80/988552980.db2.gz IDIXFOWLHXKVRM-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Cl)ccc1[O-] ZINC000097284713 1015400704 /nfs/dbraw/zinc/40/07/04/1015400704.db2.gz RVSHCZGFYLFNIV-UHFFFAOYSA-N -1 0 322.695 3.773 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599826150 988601608 /nfs/dbraw/zinc/60/16/08/988601608.db2.gz YZAFKWYMQNHWIZ-RWMBFGLXSA-N -1 0 322.426 3.904 20 0 DHADRM CSc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001599826297 988603506 /nfs/dbraw/zinc/60/35/06/988603506.db2.gz KNXBRPYJCDPABI-IINYFYTJSA-N -1 0 307.440 3.947 20 0 DHADRM CCc1nc([C@H](C)N[C@H](C)c2cc(C(=O)[O-])cs2)cs1 ZINC001597655729 988704605 /nfs/dbraw/zinc/70/46/05/988704605.db2.gz DKBMPVYPTFEOOW-DTWKUNHWSA-N -1 0 310.444 3.877 20 0 DHADRM Cc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)c([O-])c1 ZINC000156705005 1015414470 /nfs/dbraw/zinc/41/44/70/1015414470.db2.gz SLVXQOQXRZSXRK-AATRIKPKSA-N -1 0 311.168 3.637 20 0 DHADRM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000013250029 1015415002 /nfs/dbraw/zinc/41/50/02/1015415002.db2.gz BBZWAQSTUYCTBJ-UHFFFAOYSA-N -1 0 319.401 3.839 20 0 DHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599838091 988777433 /nfs/dbraw/zinc/77/74/33/988777433.db2.gz MTZGPCJIGYMPKA-VQCYPWCPSA-N -1 0 319.744 3.522 20 0 DHADRM CCc1nc2cc(N[C@@H](C)c3cncc(C(=O)[O-])c3)ccc2o1 ZINC001597691676 988886787 /nfs/dbraw/zinc/88/67/87/988886787.db2.gz XSSPYTARGQOALL-JTQLQIEISA-N -1 0 311.341 3.657 20 0 DHADRM CCc1nc2cc(N[C@H](C(=O)[O-])c3ccccc3C)ccc2o1 ZINC001597691734 988889017 /nfs/dbraw/zinc/88/90/17/988889017.db2.gz YSBAKLXPHXYDSM-KRWDZBQOSA-N -1 0 310.353 3.936 20 0 DHADRM CCc1oc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC001597791327 989322658 /nfs/dbraw/zinc/32/26/58/989322658.db2.gz 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1022422579 /nfs/dbraw/zinc/42/25/79/1022422579.db2.gz WJHYBRMTFLTOSR-UHFFFAOYSA-N -1 0 306.325 3.536 20 0 DHADRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000263298440 1022435671 /nfs/dbraw/zinc/43/56/71/1022435671.db2.gz MYJWGEQODHKWIH-MRVPVSSYSA-N -1 0 318.200 3.672 20 0 DHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC000615280243 1022443241 /nfs/dbraw/zinc/44/32/41/1022443241.db2.gz BVFSCCYKRWQNDQ-CYBMUJFWSA-N -1 0 311.385 3.691 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282388 1022443494 /nfs/dbraw/zinc/44/34/94/1022443494.db2.gz KAEXYQQOTXFAAN-JSGCOSHPSA-N -1 0 313.401 3.937 20 0 DHADRM CC(C)(C(=O)[N-]OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000766764534 1022470692 /nfs/dbraw/zinc/47/06/92/1022470692.db2.gz GFDDSXSOZJCILZ-UHFFFAOYSA-N -1 0 311.303 3.728 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000620973628 1022475927 /nfs/dbraw/zinc/47/59/27/1022475927.db2.gz QRRBCRPPPOFRIF-HNNXBMFYSA-N -1 0 317.772 3.729 20 0 DHADRM Cc1cc(F)c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000237653867 1022478140 /nfs/dbraw/zinc/47/81/40/1022478140.db2.gz UQAXRLXQEZGVKK-QPJJXVBHSA-N -1 0 317.291 3.623 20 0 DHADRM CCOC(=O)c1ccc(NCc2ncccc2O)c2ccccc12 ZINC001169732019 1022525802 /nfs/dbraw/zinc/52/58/02/1022525802.db2.gz KKNDVWCFXKAGAJ-UHFFFAOYSA-N -1 0 322.364 3.729 20 0 DHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000767058983 1022632935 /nfs/dbraw/zinc/63/29/35/1022632935.db2.gz UFKFTUFVINQPLJ-JLHYYAGUSA-N -1 0 319.376 3.523 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1cc(Cl)ccc1Cl ZINC000584705026 1022639222 /nfs/dbraw/zinc/63/92/22/1022639222.db2.gz MWTBXDKKQLZHSF-CWTRNNRKSA-N -1 0 323.241 3.741 20 0 DHADRM C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](C)c1ccccc1C(F)(F)F ZINC000767123386 1022649772 /nfs/dbraw/zinc/64/97/72/1022649772.db2.gz OVWBQUUBJNJMKV-JGVFFNPUSA-N -1 0 313.241 3.876 20 0 DHADRM C[C@H]1CCC(C)(C)N1C(=O)c1cccc(Br)c1[O-] ZINC000616165710 1022652856 /nfs/dbraw/zinc/65/28/56/1022652856.db2.gz 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1022792195 /nfs/dbraw/zinc/79/21/95/1022792195.db2.gz NHDMKVXFZSBRPQ-UHFFFAOYSA-N -1 0 301.390 3.529 20 0 DHADRM CC(C)Sc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000621599260 1022793637 /nfs/dbraw/zinc/79/36/37/1022793637.db2.gz SQZOYWKYIFGCFU-LSDHHAIUSA-N -1 0 321.442 3.560 20 0 DHADRM CCc1ccc2occ(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2c1 ZINC000263544020 1022794166 /nfs/dbraw/zinc/79/41/66/1022794166.db2.gz SFNKKWFMOVIHSO-SFHVURJKSA-N -1 0 317.385 3.614 20 0 DHADRM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000621611937 1022799213 /nfs/dbraw/zinc/79/92/13/1022799213.db2.gz OBJTXOROYNJIMW-SNVBAGLBSA-N -1 0 324.446 3.625 20 0 DHADRM C[C@H](Sc1nc2ccccc2s1)C(=O)[N-]OCC1CCC1 ZINC000856348607 1022799580 /nfs/dbraw/zinc/79/95/80/1022799580.db2.gz LZQWAAHVFVJHAQ-JTQLQIEISA-N -1 0 322.455 3.625 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610218 1022799519 /nfs/dbraw/zinc/79/95/19/1022799519.db2.gz DHDAFVWCDDIXJC-PWSUYJOCSA-N -1 0 324.446 3.625 20 0 DHADRM CCc1oc(C(=O)N[C@H](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000263552129 1022845597 /nfs/dbraw/zinc/84/55/97/1022845597.db2.gz WZGOARAUXRBBHF-LLVKDONJSA-N -1 0 307.390 3.629 20 0 DHADRM O=C(Nc1cncc2c1CCCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000617100998 1022847025 /nfs/dbraw/zinc/84/70/25/1022847025.db2.gz NLOCEWWTFKLOHX-UHFFFAOYSA-N -1 0 320.751 3.711 20 0 DHADRM Cc1cc(Nc2cnc3c(C(C)C)cnn3c2)ccc1C(=O)[O-] ZINC001211654877 1022935041 /nfs/dbraw/zinc/93/50/41/1022935041.db2.gz BGWZACLGEXXNEB-UHFFFAOYSA-N -1 0 310.357 3.603 20 0 DHADRM CC[C@H](CN(CC)C(=O)CC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000263572717 1022961589 /nfs/dbraw/zinc/96/15/89/1022961589.db2.gz LIPUACPJKLMVLB-OAHLLOKOSA-N -1 0 317.429 3.674 20 0 DHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000164863053 1022965035 /nfs/dbraw/zinc/96/50/35/1022965035.db2.gz OMMSQYDFVJWXKA-LLVKDONJSA-N -1 0 322.430 3.860 20 0 DHADRM O=C([O-])c1c(F)cc(Nc2c(Cl)cccc2CO)cc1F ZINC001203327145 1023002631 /nfs/dbraw/zinc/00/26/31/1023002631.db2.gz AXPRMGGYOQPORA-UHFFFAOYSA-N -1 0 313.687 3.552 20 0 DHADRM COCC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCCCC1 ZINC000622052585 1023016854 /nfs/dbraw/zinc/01/68/54/1023016854.db2.gz UBVWITFNGWLSLH-UHFFFAOYSA-N -1 0 315.772 3.720 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(C2CCC2)CC1 ZINC000617770953 1023050386 /nfs/dbraw/zinc/05/03/86/1023050386.db2.gz AZVUTFRARGRTIS-UHFFFAOYSA-N -1 0 311.784 3.837 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1F ZINC000659158454 1023053401 /nfs/dbraw/zinc/05/34/01/1023053401.db2.gz CVGNLEBGNLMQMW-KBPBESRZSA-N -1 0 319.376 3.608 20 0 DHADRM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769244210 1023107232 /nfs/dbraw/zinc/10/72/32/1023107232.db2.gz VICBMKLQKPZOQY-UHFFFAOYSA-N -1 0 324.405 3.786 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2=CCCCC2)cc1 ZINC000909329167 1023172963 /nfs/dbraw/zinc/17/29/63/1023172963.db2.gz QDGOPNQBBKPUJJ-OAHLLOKOSA-N -1 0 319.426 3.541 20 0 DHADRM CCCCc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000322894336 1023188216 /nfs/dbraw/zinc/18/82/16/1023188216.db2.gz BKGLWEOWMXUZDI-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM O=C(Nc1ccccc1N1CCCC1)c1c([O-])cccc1Cl ZINC000769651229 1023192633 /nfs/dbraw/zinc/19/26/33/1023192633.db2.gz ICTPRFVOIXPTMI-UHFFFAOYSA-N -1 0 316.788 3.898 20 0 DHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769769488 1023203763 /nfs/dbraw/zinc/20/37/63/1023203763.db2.gz URQUFYPKOCXQGM-LLVKDONJSA-N -1 0 301.773 3.885 20 0 DHADRM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)c2ccc(F)cc2O1 ZINC000769921912 1023235037 /nfs/dbraw/zinc/23/50/37/1023235037.db2.gz MCLNINOQTJAURE-VIFPVBQESA-N -1 0 321.735 3.612 20 0 DHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001211658760 1023278284 /nfs/dbraw/zinc/27/82/84/1023278284.db2.gz YRVNUZCNKAKRAM-UHFFFAOYSA-N -1 0 313.353 3.956 20 0 DHADRM O=C(NCCCc1cccs1)c1ccc2[n-]c(=S)oc2c1 ZINC000770216079 1023288152 /nfs/dbraw/zinc/28/81/52/1023288152.db2.gz CPUWGECNIMNBTB-UHFFFAOYSA-N -1 0 318.423 3.541 20 0 DHADRM CSc1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)ccc1C ZINC000652122872 1023323244 /nfs/dbraw/zinc/32/32/44/1023323244.db2.gz OAEVPHHTRXRNQY-UHFFFAOYSA-N -1 0 321.442 3.937 20 0 DHADRM COC(=O)c1c(C)c(Nc2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC001211660659 1023330320 /nfs/dbraw/zinc/33/03/20/1023330320.db2.gz GBYCXHKXIHAICC-UHFFFAOYSA-N -1 0 317.316 3.671 20 0 DHADRM Cc1cc(=O)c2ccc(Nc3ccc(C(=O)[O-])c(C)c3)cc2o1 ZINC001211661036 1023340762 /nfs/dbraw/zinc/34/07/62/1023340762.db2.gz ZFANAQKEHFPCEW-UHFFFAOYSA-N -1 0 309.321 3.852 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc21 ZINC000770824480 1023350924 /nfs/dbraw/zinc/35/09/24/1023350924.db2.gz SDIFUVPAMYLSMR-SNVBAGLBSA-N -1 0 319.763 3.944 20 0 DHADRM O=C(N[C@H]1CC12CCCCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000771284849 1023414106 /nfs/dbraw/zinc/41/41/06/1023414106.db2.gz WBEIRXHGACQJCK-ZDUSSCGKSA-N -1 0 302.399 3.569 20 0 DHADRM Cc1ccsc1-c1nsc(N=C([O-])NOC2CCCC2)n1 ZINC000771274240 1023419312 /nfs/dbraw/zinc/41/93/12/1023419312.db2.gz TZIXXJULKWRPBU-UHFFFAOYSA-N -1 0 324.431 3.571 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H](F)Cc1ccccc1 ZINC000771510464 1023446565 /nfs/dbraw/zinc/44/65/65/1023446565.db2.gz JZHSLEKLSMUVHJ-LBPRGKRZSA-N -1 0 311.715 3.704 20 0 DHADRM Cc1cc(Nc2ccc3c(c2)CN(C2CC2)C3=O)ccc1C(=O)[O-] ZINC001211663721 1023453378 /nfs/dbraw/zinc/45/33/78/1023453378.db2.gz XSZIQKODVTWCQI-UHFFFAOYSA-N -1 0 322.364 3.555 20 0 DHADRM CCC(=O)c1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000771661860 1023458522 /nfs/dbraw/zinc/45/85/22/1023458522.db2.gz VFVWBEXYXXRJLK-UHFFFAOYSA-N -1 0 303.745 3.891 20 0 DHADRM O=C(OCc1ncc(Cl)s1)c1ccc([O-])c(Cl)c1 ZINC000771875699 1023480670 /nfs/dbraw/zinc/48/06/70/1023480670.db2.gz RBXWBCCNYOIGLK-UHFFFAOYSA-N -1 0 304.154 3.513 20 0 DHADRM O=C(OCc1cccc(F)c1Cl)c1c(F)cc([O-])cc1F ZINC000771971419 1023495180 /nfs/dbraw/zinc/49/51/80/1023495180.db2.gz YFUJPGSLOGLJJY-UHFFFAOYSA-N -1 0 316.662 3.820 20 0 DHADRM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1c([O-])cccc1Cl ZINC000772421022 1023553428 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O=C([O-])C1(CNc2nnc(-c3ccccc3Cl)s2)CCC1 ZINC000662898447 1023657050 /nfs/dbraw/zinc/65/70/50/1023657050.db2.gz WCJQTMGOVBGHGS-UHFFFAOYSA-N -1 0 323.805 3.525 20 0 DHADRM COC(=O)c1cc(F)cnc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242848879 1023684992 /nfs/dbraw/zinc/68/49/92/1023684992.db2.gz HJAFROOJAPBRDU-UHFFFAOYSA-N -1 0 316.115 3.687 20 0 DHADRM [O-]c1c(Cl)cc(-c2cc(N3CCCC3)ncn2)cc1Cl ZINC001242851839 1023686760 /nfs/dbraw/zinc/68/67/60/1023686760.db2.gz QINPAKHQGGOMOW-UHFFFAOYSA-N -1 0 310.184 3.756 20 0 DHADRM C[C@H]1CCCc2ncc(C(=O)Nc3cc(Cl)c([O-])cc3F)n21 ZINC000652163458 1023687857 /nfs/dbraw/zinc/68/78/57/1023687857.db2.gz OTDNAUBVMWXSRA-QMMMGPOBSA-N -1 0 323.755 3.531 20 0 DHADRM COCOc1cnc(F)cc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242852584 1023688032 /nfs/dbraw/zinc/68/80/32/1023688032.db2.gz QXHYKBMHGCGQAL-UHFFFAOYSA-N -1 0 318.131 3.883 20 0 DHADRM C[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000746595647 1023713403 /nfs/dbraw/zinc/71/34/03/1023713403.db2.gz 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322.286 3.643 20 0 DHADRM O=C(c1cccc(F)c1[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000825018436 1030701829 /nfs/dbraw/zinc/70/18/29/1030701829.db2.gz NYMCBEWGGSYGSW-INIZCTEOSA-N -1 0 315.344 3.882 20 0 DHADRM O=C([N-]OCC1CCC1)[C@@H](c1cccnc1)C1CCCCC1 ZINC000869305620 1030743241 /nfs/dbraw/zinc/74/32/41/1030743241.db2.gz RBPPLFKGXKHWMC-QGZVFWFLSA-N -1 0 302.418 3.593 20 0 DHADRM Cc1cccc(O)c1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001137002751 1030753738 /nfs/dbraw/zinc/75/37/38/1030753738.db2.gz TUOYXKTVKZCBRG-WBVHZDCISA-N -1 0 309.409 3.966 20 0 DHADRM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(Cl)c([O-])c2)cc1 ZINC001137011040 1030762042 /nfs/dbraw/zinc/76/20/42/1030762042.db2.gz KHBUDCCGTRCINQ-GFCCVEGCSA-N -1 0 319.788 3.551 20 0 DHADRM C[C@H]1CC(CCN=c2nc(-c3ccccc3)[n-]s2)C[C@H](C)O1 ZINC000558792561 1030807370 /nfs/dbraw/zinc/80/73/70/1030807370.db2.gz WIQKMXCFCXBPIO-STQMWFEESA-N -1 0 317.458 3.633 20 0 DHADRM CC[C@H](C)CO[N-]C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000292110685 1030815703 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CC[C@@](CNC(=O)C1(CC)CCCC1)(C(=O)[O-])c1ccccc1 ZINC000262889102 1031155497 /nfs/dbraw/zinc/15/54/97/1031155497.db2.gz BXJZSEWSNVCLRH-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262977627 1031158065 /nfs/dbraw/zinc/15/80/65/1031158065.db2.gz BKSBKMDFNYSALZ-CYBMUJFWSA-N -1 0 320.433 3.947 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)[N-]OCCCC(F)(F)F ZINC000871213275 1031163349 /nfs/dbraw/zinc/16/33/49/1031163349.db2.gz NECZZFVZMWYIKN-NSHDSACASA-N -1 0 311.344 3.505 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000263051737 1031164569 /nfs/dbraw/zinc/16/45/69/1031164569.db2.gz DYRLYMVQAFOWJF-BXUZGUMPSA-N -1 0 309.431 3.591 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000263191845 1031171812 /nfs/dbraw/zinc/17/18/12/1031171812.db2.gz IRGRHMXUMYOXCE-IBGZPJMESA-N -1 0 313.397 3.656 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2Nc2ccccc2)C1 ZINC000263201065 1031172803 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300.339 3.747 20 0 DHADRM COc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174684122 1034546692 /nfs/dbraw/zinc/54/66/92/1034546692.db2.gz WZJHIHTZBIPPLJ-UHFFFAOYSA-N -1 0 307.733 3.799 20 0 DHADRM COc1cc(Nc2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001174681194 1034546800 /nfs/dbraw/zinc/54/68/00/1034546800.db2.gz NZFPUFJRHYSXNG-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2cnc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC001174682141 1034547547 /nfs/dbraw/zinc/54/75/47/1034547547.db2.gz FQQIERXAMQRADA-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(Nc2ccccc2-c2cnco2)ccc1C(=O)[O-] ZINC001174684944 1034547838 /nfs/dbraw/zinc/54/78/38/1034547838.db2.gz BYIWUTYBYWIJSS-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM CCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685062 1034548294 /nfs/dbraw/zinc/54/82/94/1034548294.db2.gz MWHNPFYKRFUQII-UHFFFAOYSA-N -1 0 305.305 3.675 20 0 DHADRM COc1cc(Nc2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC001174685296 1034549767 /nfs/dbraw/zinc/54/97/67/1034549767.db2.gz 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ZINC001176440983 1035265198 /nfs/dbraw/zinc/26/51/98/1035265198.db2.gz UOQBUALUMCPUNA-UHFFFAOYSA-N -1 0 314.160 3.658 20 0 DHADRM O=C([O-])c1cc(Nc2cc(F)ccc2OCC(F)F)cs1 ZINC001176439915 1035265249 /nfs/dbraw/zinc/26/52/49/1035265249.db2.gz BUQQYCDKUYDGHO-UHFFFAOYSA-N -1 0 317.288 3.973 20 0 DHADRM Cc1ccc(C=CNc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001176424215 1035270706 /nfs/dbraw/zinc/27/07/06/1035270706.db2.gz HBNMCUPOOFNBKA-CMDGGOBGSA-N -1 0 323.801 3.978 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cc(C(F)(F)F)no3)cc2)CC1 ZINC001176580890 1035289075 /nfs/dbraw/zinc/28/90/75/1035289075.db2.gz DWSPELVPLIRNDE-UHFFFAOYSA-N -1 0 312.247 3.553 20 0 DHADRM COc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(Cl)n1 ZINC001176584204 1035289653 /nfs/dbraw/zinc/28/96/53/1035289653.db2.gz GHYBFAGMBKHVSD-UHFFFAOYSA-N -1 0 318.760 3.603 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cn(CC4CCC4)cn3)cc2)CC1 ZINC001176586538 1035290199 /nfs/dbraw/zinc/29/01/99/1035290199.db2.gz JZVUXYIIJRNIFU-UHFFFAOYSA-N -1 0 311.385 3.543 20 0 DHADRM Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(Cl)n1 ZINC001176584493 1035290237 /nfs/dbraw/zinc/29/02/37/1035290237.db2.gz NOEHRQNTYVKZIF-UHFFFAOYSA-N -1 0 302.761 3.903 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3ccccc3-n3cccn3)cc2)CC1 ZINC001176587378 1035290529 /nfs/dbraw/zinc/29/05/29/1035290529.db2.gz YSWXQMMGZCAGCR-UHFFFAOYSA-N -1 0 319.364 3.732 20 0 DHADRM CN1CCc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc21 ZINC001176588109 1035290703 /nfs/dbraw/zinc/29/07/03/1035290703.db2.gz IJHRDHPFAGRQDT-UHFFFAOYSA-N -1 0 308.381 3.539 20 0 DHADRM CC(=O)Nc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C ZINC001176589102 1035291751 /nfs/dbraw/zinc/29/17/51/1035291751.db2.gz BQIXIKNDTSWCHA-UHFFFAOYSA-N -1 0 324.380 3.813 20 0 DHADRM CCn1cc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc2n1 ZINC001176590082 1035292079 /nfs/dbraw/zinc/29/20/79/1035292079.db2.gz KUACRVGHYWGMJQ-UHFFFAOYSA-N -1 0 321.380 3.916 20 0 DHADRM O=C([O-])C=Cc1ccc(Nc2c[nH]c3cc(=O)ccc-3c2)cc1 ZINC001176594087 1035292609 /nfs/dbraw/zinc/29/26/09/1035292609.db2.gz 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1035307325 /nfs/dbraw/zinc/30/73/25/1035307325.db2.gz OPHCUVBHMXNRNN-XBXARRHUSA-N -1 0 303.745 3.674 20 0 DHADRM COc1cc(Nc2c(F)cc(F)c(O)c2F)ccc1[S-] ZINC001176674242 1035311858 /nfs/dbraw/zinc/31/18/58/1035311858.db2.gz SLBZSMHHTIIMJN-UHFFFAOYSA-N -1 0 301.289 3.850 20 0 DHADRM O=S(=O)([O-])c1cccc(Nc2ccc(Cl)cc2Cl)c1 ZINC001176652890 1035315994 /nfs/dbraw/zinc/31/59/94/1035315994.db2.gz DXVQTNFKYWHMJW-UHFFFAOYSA-N -1 0 318.181 3.984 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000668323502 1035323849 /nfs/dbraw/zinc/32/38/49/1035323849.db2.gz ZTACKTGSXPRLPC-NRXISQOPSA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2cccc(F)c2)cc1 ZINC001176709387 1035325485 /nfs/dbraw/zinc/32/54/85/1035325485.db2.gz LKJDSRRCIAZMPA-UHFFFAOYSA-N -1 0 311.316 3.512 20 0 DHADRM Cc1cnn(-c2ccccc2C)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710004 1035326000 /nfs/dbraw/zinc/32/60/00/1035326000.db2.gz BQWDGQFABOWCRG-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM CC1(C)COC(c2ccc(Nc3ccc(C(=O)[O-])cc3)cc2)=N1 ZINC001176713697 1035326357 /nfs/dbraw/zinc/32/63/57/1035326357.db2.gz MAZNFKMAHQEUGI-UHFFFAOYSA-N -1 0 310.353 3.684 20 0 DHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])cc1 ZINC001176716085 1035327166 /nfs/dbraw/zinc/32/71/66/1035327166.db2.gz XALFBRDCGJAIKI-UHFFFAOYSA-N -1 0 305.717 3.568 20 0 DHADRM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cscn2)cc1 ZINC000904002317 1035337501 /nfs/dbraw/zinc/33/75/01/1035337501.db2.gz SLEQWSXVIPWSCZ-HNNXBMFYSA-N -1 0 304.415 3.572 20 0 DHADRM CC[C@@H](Cc1ccc(NCc2cnc(C3CC3)o2)cc1)C(=O)[O-] ZINC000904014949 1035339565 /nfs/dbraw/zinc/33/95/65/1035339565.db2.gz ANPBLCUUCGRPIU-ZDUSSCGKSA-N -1 0 314.385 3.817 20 0 DHADRM CC(C)n1ccnc1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000904019093 1035340884 /nfs/dbraw/zinc/34/08/84/1035340884.db2.gz YAXVEBIEJKVTLM-LBPRGKRZSA-N -1 0 319.430 3.641 20 0 DHADRM Cc1ccc(NCc2ccc(C(F)F)nc2)c(C)c1C(=O)[O-] ZINC000904030140 1035347217 /nfs/dbraw/zinc/34/72/17/1035347217.db2.gz HDSUCQUAVHMQJS-UHFFFAOYSA-N -1 0 306.312 3.946 20 0 DHADRM CC(C)(C)c1ccccc1OCC(=O)[N-]Oc1ccccc1F ZINC001177109318 1035350446 /nfs/dbraw/zinc/35/04/46/1035350446.db2.gz DJKVRZJHQSMUEL-UHFFFAOYSA-N -1 0 317.360 3.612 20 0 DHADRM CCC1(C(=O)[N-]Oc2ccccc2F)CCC(F)(F)CC1 ZINC001177114266 1035350956 /nfs/dbraw/zinc/35/09/56/1035350956.db2.gz QWVXBHHLKBUDHZ-UHFFFAOYSA-N -1 0 301.308 3.841 20 0 DHADRM Cc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904195285 1035383478 /nfs/dbraw/zinc/38/34/78/1035383478.db2.gz SSNGLRTZCIJIBK-UHFFFAOYSA-N -1 0 314.385 3.501 20 0 DHADRM CCSc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1 ZINC000904200509 1035384551 /nfs/dbraw/zinc/38/45/51/1035384551.db2.gz SPCKMDFFUMJPRR-KGLIPLIRSA-N -1 0 306.431 3.789 20 0 DHADRM Cc1cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)ccc1OC(C)C ZINC000904198997 1035384664 /nfs/dbraw/zinc/38/46/64/1035384664.db2.gz GQHUGMORKAFMDU-JKSUJKDBSA-N -1 0 318.417 3.773 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904198705 1035384739 /nfs/dbraw/zinc/38/47/39/1035384739.db2.gz JRISQKOGLOPSNK-APHBMKBZSA-N -1 0 318.417 3.855 20 0 DHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc(C)cc(Cl)c2)c1 ZINC001178433941 1035425442 /nfs/dbraw/zinc/42/54/42/1035425442.db2.gz XYTUMIKWVXUARO-UHFFFAOYSA-N -1 0 321.735 3.948 20 0 DHADRM CSc1ccc(NC(=O)C[C@@H](C)c2ccco2)cc1C(=O)[O-] ZINC000905044355 1035477125 /nfs/dbraw/zinc/47/71/25/1035477125.db2.gz SCIKHNARKZXTJU-SNVBAGLBSA-N -1 0 319.382 3.832 20 0 DHADRM O=c1nc(CC2CC2)[n-]c2c(-c3ccc(F)cc3)nsc21 ZINC000905031886 1035477556 /nfs/dbraw/zinc/47/75/56/1035477556.db2.gz PKVHFLFZDQIVGD-UHFFFAOYSA-N -1 0 301.346 3.551 20 0 DHADRM Cc1ccc(C)c(C(=O)NC[C@@H](C)c2ccccc2)c1C(=O)[O-] ZINC000323054668 1035491692 /nfs/dbraw/zinc/49/16/92/1035491692.db2.gz IQBNHWDELJVKJV-CQSZACIVSA-N -1 0 311.381 3.535 20 0 DHADRM C[C@H]1CCCN(CC(=O)[N-]OCc2ccccc2)c2ccccc21 ZINC001193198899 1035587002 /nfs/dbraw/zinc/58/70/02/1035587002.db2.gz YOIQGBXJUOACOT-INIZCTEOSA-N -1 0 324.424 3.638 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)sc1Cl ZINC000190181111 1035602549 /nfs/dbraw/zinc/60/25/49/1035602549.db2.gz XZXWEFQBFFMKJT-UHFFFAOYSA-N -1 0 301.820 3.819 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000905713402 1035619684 /nfs/dbraw/zinc/61/96/84/1035619684.db2.gz DGLUMQYOZDZECF-RBSFLKMASA-N -1 0 303.402 3.619 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC1CC2(C1)CO[C@H](C)C2 ZINC000905714621 1035620175 /nfs/dbraw/zinc/62/01/75/1035620175.db2.gz OUTVCMHIZXNHKR-LVIIFESRSA-N -1 0 319.401 3.542 20 0 DHADRM CC(C)OC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001193495591 1035645572 /nfs/dbraw/zinc/64/55/72/1035645572.db2.gz AYEKKPDYUSBFST-UHFFFAOYSA-N -1 0 308.559 3.765 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CC(F)(F)F)c1 ZINC000457823409 1035649578 /nfs/dbraw/zinc/64/95/78/1035649578.db2.gz JWOIHIZYJMVMHG-MRVPVSSYSA-N -1 0 303.280 3.512 20 0 DHADRM O=C(Nc1c(Cl)c(F)[n-]c(=O)c1Cl)OC1CCCC1 ZINC001193528687 1035663065 /nfs/dbraw/zinc/66/30/65/1035663065.db2.gz 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20 0 DHADRM COCc1cccc(CNc2ccccc2CCCC(=O)[O-])c1 ZINC000417623984 335018007 /nfs/dbraw/zinc/01/80/07/335018007.db2.gz NYUZSWSTPLBVEG-UHFFFAOYSA-N -1 0 313.397 3.852 20 0 DHADRM COc1cc(C)ccc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000417630226 335018843 /nfs/dbraw/zinc/01/88/43/335018843.db2.gz UKIGYVDHPPOAMX-UHFFFAOYSA-N -1 0 313.397 3.978 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000020227016 182199499 /nfs/dbraw/zinc/19/94/99/182199499.db2.gz FNESVURRERCXGY-UHFFFAOYSA-N -1 0 303.745 3.610 20 0 DHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1C ZINC000020334641 182209304 /nfs/dbraw/zinc/20/93/04/182209304.db2.gz RIFGOJZBTHWUBT-UHFFFAOYSA-N -1 0 315.394 3.804 20 0 DHADRM O=C([O-])[C@H](Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000037960752 182943482 /nfs/dbraw/zinc/94/34/82/182943482.db2.gz QMHRTWQYTOKDGV-CYBMUJFWSA-N -1 0 324.149 3.826 20 0 DHADRM CC(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000041533495 183198967 /nfs/dbraw/zinc/19/89/67/183198967.db2.gz HGFKZNIYKLHNGX-HNNXBMFYSA-N -1 0 305.418 3.662 20 0 DHADRM COc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000065354811 184327461 /nfs/dbraw/zinc/32/74/61/184327461.db2.gz HBSIFUCYFLFZGP-UHFFFAOYSA-N -1 0 312.243 3.959 20 0 DHADRM CCC(CC)(CC(=O)Nc1cccc(COC(C)C)c1)C(=O)[O-] ZINC000063640264 335054930 /nfs/dbraw/zinc/05/49/30/335054930.db2.gz SHKCCQUPLCMVOB-UHFFFAOYSA-N -1 0 321.417 3.831 20 0 DHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000272576116 130043872 /nfs/dbraw/zinc/04/38/72/130043872.db2.gz UNNITLIUYSYBEW-HZPDHXFCSA-N -1 0 311.381 3.694 20 0 DHADRM CCC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000273555305 130136460 /nfs/dbraw/zinc/13/64/60/130136460.db2.gz GSXMIQZWSNKWDF-VIFPVBQESA-N -1 0 301.308 3.604 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000273927565 130188425 /nfs/dbraw/zinc/18/84/25/130188425.db2.gz HGTQOLABBWCDBT-CYBMUJFWSA-N -1 0 309.337 3.709 20 0 DHADRM CC(C)(C)c1nsc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000274931796 130275237 /nfs/dbraw/zinc/27/52/37/130275237.db2.gz LMNNWVWILOGZQR-UHFFFAOYSA-N -1 0 315.320 3.505 20 0 DHADRM CCN(C(=O)c1c([O-])cccc1F)[C@@H](C)Cc1ccsc1 ZINC000275250406 130299657 /nfs/dbraw/zinc/29/96/57/130299657.db2.gz VMMYNWYLUZYWDD-NSHDSACASA-N -1 0 307.390 3.686 20 0 DHADRM Cc1oncc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000283816339 131026524 /nfs/dbraw/zinc/02/65/24/131026524.db2.gz JJYMIMKYOAZRRQ-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM O=C(NC(C1CCC1)C1CCC1)c1cc(F)c(F)c([O-])c1F ZINC000286699510 131246447 /nfs/dbraw/zinc/24/64/47/131246447.db2.gz KAHMJWBYHOTGBH-UHFFFAOYSA-N -1 0 313.319 3.508 20 0 DHADRM CCS[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C(C)C ZINC000286961446 131258395 /nfs/dbraw/zinc/25/83/95/131258395.db2.gz QLRJDTUZGXTFBG-GFCCVEGCSA-N -1 0 305.802 3.901 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1F ZINC000288164930 131314819 /nfs/dbraw/zinc/31/48/19/131314819.db2.gz HXCHJEDWEVGOJF-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H]1c1cccs1 ZINC000288586853 131331396 /nfs/dbraw/zinc/33/13/96/131331396.db2.gz LEGHLAABJOIOTF-AWEZNQCLSA-N -1 0 323.364 3.955 20 0 DHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000340319303 131391535 /nfs/dbraw/zinc/39/15/35/131391535.db2.gz LITROSZRSOHVGU-LLVKDONJSA-N -1 0 305.761 3.589 20 0 DHADRM Cc1cc(Cl)c(C(=O)[O-])cc1NC(=O)N(C)C1CCCC1 ZINC000297329152 132010634 /nfs/dbraw/zinc/01/06/34/132010634.db2.gz XQCONFXQZSLATL-UHFFFAOYSA-N -1 0 310.781 3.753 20 0 DHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000299293898 132097044 /nfs/dbraw/zinc/09/70/44/132097044.db2.gz AGZIOLLLCYPZOK-UHFFFAOYSA-N -1 0 322.430 3.634 20 0 DHADRM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000119970839 132138339 /nfs/dbraw/zinc/13/83/39/132138339.db2.gz PCQHDZYBTOERRP-UHFFFAOYSA-N -1 0 319.430 3.567 20 0 DHADRM C[C@H]1CCc2nc(CNc3cccc(C(=O)[O-])c3)sc2C1 ZINC000340672163 132140278 /nfs/dbraw/zinc/14/02/78/132140278.db2.gz TUGZWNDHHPZSHL-JTQLQIEISA-N -1 0 302.399 3.578 20 0 DHADRM O=C([O-])c1cccc(NCc2c[nH]nc2-c2ccccc2F)c1 ZINC000340673792 132141010 /nfs/dbraw/zinc/14/10/10/132141010.db2.gz DBXOSLCYOOTMOB-UHFFFAOYSA-N -1 0 311.316 3.526 20 0 DHADRM O=C([O-])C1(NCc2ncc(-c3ccccc3)s2)CCCCC1 ZINC000340679755 132145020 /nfs/dbraw/zinc/14/50/20/132145020.db2.gz JBSIIKLJSUQMAA-UHFFFAOYSA-N -1 0 316.426 3.687 20 0 DHADRM Cc1ccoc1CN[C@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000340685941 132153682 /nfs/dbraw/zinc/15/36/82/132153682.db2.gz BFNITSYKHNVKRO-DNVCBOLYSA-N -1 0 313.397 3.801 20 0 DHADRM Cc1ccc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)o1 ZINC000340693048 132156736 /nfs/dbraw/zinc/15/67/36/132156736.db2.gz XGKZXCROOXHDTL-LPHOPBHVSA-N -1 0 313.397 3.801 20 0 DHADRM Cc1cscc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340725227 132167794 /nfs/dbraw/zinc/16/77/94/132167794.db2.gz IBAQQJYINWGSRI-UHFFFAOYSA-N -1 0 305.783 3.650 20 0 DHADRM CCCCC1CCC(NC(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000194430221 335069372 /nfs/dbraw/zinc/06/93/72/335069372.db2.gz MSMNTASQQIAQTG-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM Cc1cc2nc(N[C@H](C)c3ncc(C(=O)[O-])s3)oc2c(C)c1 ZINC000519608904 435694219 /nfs/dbraw/zinc/69/42/19/435694219.db2.gz QDGDZSSYASTUFA-SECBINFHSA-N -1 0 317.370 3.772 20 0 DHADRM c1ccc2c(CN=c3nc(C4CCCCC4)[n-]s3)noc2c1 ZINC000570506297 332764266 /nfs/dbraw/zinc/76/42/66/332764266.db2.gz XIYDCIYQKBBLLA-UHFFFAOYSA-N -1 0 314.414 3.761 20 0 DHADRM C[C@H](c1ccncc1)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000570579986 332776389 /nfs/dbraw/zinc/77/63/89/332776389.db2.gz ICBCCOTZIGVOAW-SNVBAGLBSA-N -1 0 324.302 3.639 20 0 DHADRM C[C@@](CC(=O)NCC1(C)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000323326077 332799252 /nfs/dbraw/zinc/79/92/52/332799252.db2.gz UMWFDWUFXHLLKE-IBGZPJMESA-N -1 0 317.429 3.506 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000035149802 331479301 /nfs/dbraw/zinc/47/93/01/331479301.db2.gz WMKZDEAWHMUUCI-NSHDSACASA-N -1 0 311.809 3.798 20 0 DHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000047182642 331514609 /nfs/dbraw/zinc/51/46/09/331514609.db2.gz BCMCOCSCCOKONZ-UHFFFAOYSA-N -1 0 304.777 3.672 20 0 DHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C)c1ccccc1 ZINC000180114075 331561555 /nfs/dbraw/zinc/56/15/55/331561555.db2.gz JVXZXRFJCUASHM-NXEZZACHSA-N -1 0 323.314 3.732 20 0 DHADRM CCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000530720962 331621269 /nfs/dbraw/zinc/62/12/69/331621269.db2.gz GHRIIYROFVCKNG-UHFFFAOYSA-N -1 0 320.392 3.975 20 0 DHADRM CC(C)Oc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000078880733 331676270 /nfs/dbraw/zinc/67/62/70/331676270.db2.gz FBZCBPICKPDWFW-UHFFFAOYSA-N -1 0 313.781 3.567 20 0 DHADRM CC(C)c1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262007318 331779283 /nfs/dbraw/zinc/77/92/83/331779283.db2.gz WAIZNNLURCVTGW-UHFFFAOYSA-N -1 0 304.390 3.575 20 0 DHADRM CC(C)CCOc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC000580075501 332929746 /nfs/dbraw/zinc/92/97/46/332929746.db2.gz DEBNMIRNVSDEKG-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000186465728 332929958 /nfs/dbraw/zinc/92/99/58/332929958.db2.gz SGRWPRUFOSBKPH-CYBMUJFWSA-N -1 0 303.333 3.882 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1F ZINC000313204739 331911186 /nfs/dbraw/zinc/91/11/86/331911186.db2.gz CUTNZQTVRNEBMY-UHFFFAOYSA-N -1 0 323.389 3.722 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1F ZINC000313241851 331919736 /nfs/dbraw/zinc/91/97/36/331919736.db2.gz XRWPBXCUGNYAMS-UHFFFAOYSA-N -1 0 317.744 3.727 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1F ZINC000313245126 331920096 /nfs/dbraw/zinc/92/00/96/331920096.db2.gz LILHNWRXOVURFJ-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000559151624 331982725 /nfs/dbraw/zinc/98/27/25/331982725.db2.gz DMFOFORGTRVGAV-YPMHNXCESA-N -1 0 307.390 3.629 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2F)o1 ZINC000426774512 332016777 /nfs/dbraw/zinc/01/67/77/332016777.db2.gz OVSDRIOYZQSMKC-ZDUSSCGKSA-N -1 0 311.740 3.686 20 0 DHADRM O=C([O-])[C@H](NCc1cccc(Cl)c1Cl)c1cccs1 ZINC000426785692 332153350 /nfs/dbraw/zinc/15/33/50/332153350.db2.gz QXMPDCBGITUQDZ-GFCCVEGCSA-N -1 0 316.209 3.970 20 0 DHADRM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1ccccc1F ZINC000426788000 332153697 /nfs/dbraw/zinc/15/36/97/332153697.db2.gz JKTVGZJKGPTKOT-CQSZACIVSA-N -1 0 311.715 3.534 20 0 DHADRM CCC[C@H](C)C[C@@H](NCc1nc2c(s1)C[C@H](C)CC2)C(=O)[O-] ZINC000426795471 332154492 /nfs/dbraw/zinc/15/44/92/332154492.db2.gz YAIXYQBRLCMTOA-OUCADQQQSA-N -1 0 324.490 3.637 20 0 DHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)cc2Cl)o1 ZINC000426794450 332154580 /nfs/dbraw/zinc/15/45/80/332154580.db2.gz RNGCNOPQSQAGIO-CYBMUJFWSA-N -1 0 311.740 3.686 20 0 DHADRM Cc1ccc2[nH]c(CN[C@H](C(=O)[O-])c3ccsc3)cc2c1C ZINC000426832815 332156355 /nfs/dbraw/zinc/15/63/55/332156355.db2.gz KDLZLEZQCOWDHF-INIZCTEOSA-N -1 0 314.410 3.762 20 0 DHADRM CCC[C@H](C)C[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000426819302 332157658 /nfs/dbraw/zinc/15/76/58/332157658.db2.gz HTGCDWYMCCMFKP-XJKSGUPXSA-N -1 0 316.401 3.711 20 0 DHADRM CC(C)(C)C[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426824708 332158060 /nfs/dbraw/zinc/15/80/60/332158060.db2.gz NRXBUBRMPYVVCV-ZDUSSCGKSA-N -1 0 318.442 3.789 20 0 DHADRM CCc1ccc(CC)c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000417747332 335095224 /nfs/dbraw/zinc/09/52/24/335095224.db2.gz IJMFAOCBVLMRBM-UHFFFAOYSA-N -1 0 318.417 3.576 20 0 DHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(CC)c(CC)c1 ZINC000559420362 332257540 /nfs/dbraw/zinc/25/75/40/332257540.db2.gz PDQLSTHLPPBCBE-UHFFFAOYSA-N -1 0 324.471 3.631 20 0 DHADRM Cc1ccccc1NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000555767927 332265521 /nfs/dbraw/zinc/26/55/21/332265521.db2.gz JYDOLNOPOUOZFU-AWEZNQCLSA-N -1 0 312.369 3.675 20 0 DHADRM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000043288661 332265956 /nfs/dbraw/zinc/26/59/56/332265956.db2.gz YPSOLFVCZKDSOZ-UHFFFAOYSA-N -1 0 323.364 3.588 20 0 DHADRM CCc1cnc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 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CC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000584387815 337242032 /nfs/dbraw/zinc/24/20/32/337242032.db2.gz NOCIBDNVZPGHAZ-UHFFFAOYSA-N -1 0 319.382 3.587 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000321236986 337251189 /nfs/dbraw/zinc/25/11/89/337251189.db2.gz IFYNOMGPJQOXKD-UHFFFAOYSA-N -1 0 319.307 3.579 20 0 DHADRM Cc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000321311051 337256987 /nfs/dbraw/zinc/25/69/87/337256987.db2.gz QWCDLTPSSFOFGB-ZHACJKMWSA-N -1 0 313.353 3.602 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c(C)o1 ZINC000187077761 337261607 /nfs/dbraw/zinc/26/16/07/337261607.db2.gz FZJGWLXZXHCHIU-UHFFFAOYSA-N -1 0 305.355 3.752 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)CCCC2CCCCC2)c2ccccc21 ZINC000321698506 337284335 /nfs/dbraw/zinc/28/43/35/337284335.db2.gz CZBNJMHBLJSDPE-INIZCTEOSA-N -1 0 315.413 3.952 20 0 DHADRM COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1[O-] ZINC000525950184 337305724 /nfs/dbraw/zinc/30/57/24/337305724.db2.gz JHEIYFMGLYZDOK-UHFFFAOYSA-N 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CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000436644663 338281090 /nfs/dbraw/zinc/28/10/90/338281090.db2.gz BDECLEBEORLIRB-NSHDSACASA-N -1 0 315.344 3.866 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000436643704 338281193 /nfs/dbraw/zinc/28/11/93/338281193.db2.gz FUHDAIMWUXFLFJ-UHFFFAOYSA-N -1 0 322.364 3.647 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2oc(CC)cc2C)c1 ZINC000436649139 338281427 /nfs/dbraw/zinc/28/14/27/338281427.db2.gz VZZRTUUWTQMBGJ-UHFFFAOYSA-N -1 0 301.342 3.701 20 0 DHADRM CC(C)n1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000436659105 338281845 /nfs/dbraw/zinc/28/18/45/338281845.db2.gz NVDWIVBKISKPMX-UHFFFAOYSA-N -1 0 314.172 3.729 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccsc2)c1 ZINC000436658579 338281860 /nfs/dbraw/zinc/28/18/60/338281860.db2.gz OOAZSNMUKAMMEY-SNVBAGLBSA-N -1 0 303.383 3.789 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000436677770 338282460 /nfs/dbraw/zinc/28/24/60/338282460.db2.gz 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CCc1ccc(C(=O)[O-])cc1NCc1ccc(OC)c(OC)c1 ZINC000551055992 341330314 /nfs/dbraw/zinc/33/03/14/341330314.db2.gz ZCRPSTDOPZOZJT-UHFFFAOYSA-N -1 0 315.369 3.577 20 0 DHADRM Cn1cc(/C=C\c2cc(C(=O)[O-])ccn2)c(C2CCCCC2)n1 ZINC000551349050 341339180 /nfs/dbraw/zinc/33/91/80/341339180.db2.gz QKJILFGAJMHMCI-FPLPWBNLSA-N -1 0 311.385 3.731 20 0 DHADRM Cn1cc(/C=C/c2cc(C(=O)[O-])ccn2)c(C2CCCCC2)n1 ZINC000551349049 341339212 /nfs/dbraw/zinc/33/92/12/341339212.db2.gz QKJILFGAJMHMCI-BQYQJAHWSA-N -1 0 311.385 3.731 20 0 DHADRM O=C([O-])C1(CC(=O)N(Cc2ccccc2)c2ccccc2)CCC1 ZINC000261553615 341354471 /nfs/dbraw/zinc/35/44/71/341354471.db2.gz OFSSRSYYKZDBQY-UHFFFAOYSA-N -1 0 323.392 3.865 20 0 DHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1ccsc1 ZINC000551934323 341355415 /nfs/dbraw/zinc/35/54/15/341355415.db2.gz UTTMMSPAWDJJCQ-UHFFFAOYSA-N -1 0 323.439 3.870 20 0 DHADRM CCc1oc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000555425879 341482611 /nfs/dbraw/zinc/48/26/11/341482611.db2.gz NPLFTYPNAQLHLM-OBJOEFQTSA-N -1 0 319.401 3.581 20 0 DHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000564398530 341501090 /nfs/dbraw/zinc/50/10/90/341501090.db2.gz LPGNMRUETRBKQY-VIFPVBQESA-N -1 0 323.801 3.917 20 0 DHADRM O=C([O-])[C@@H](c1ccsc1)N1CCC(c2ccsc2)CC1 ZINC000565108362 341517511 /nfs/dbraw/zinc/51/75/11/341517511.db2.gz YRKMHJWZXWDVAM-CQSZACIVSA-N -1 0 307.440 3.815 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000262561994 341524969 /nfs/dbraw/zinc/52/49/69/341524969.db2.gz VRGCFDJFCVSKRX-INIZCTEOSA-N -1 0 309.365 3.752 20 0 DHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566221106 341551137 /nfs/dbraw/zinc/55/11/37/341551137.db2.gz XJVVZXWYTYEFJM-SFHVURJKSA-N -1 0 323.392 3.541 20 0 DHADRM COCCOCc1cccc(-c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000566495414 341559966 /nfs/dbraw/zinc/55/99/66/341559966.db2.gz WIOHFRKWYGSBQY-UHFFFAOYSA-N -1 0 300.354 3.523 20 0 DHADRM CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])c1 ZINC000566495303 341560004 /nfs/dbraw/zinc/56/00/04/341560004.db2.gz VCLDUOKKNRBHQO-QUCCMNQESA-N -1 0 306.361 3.845 20 0 DHADRM CC(C)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000566578047 341562177 /nfs/dbraw/zinc/56/21/77/341562177.db2.gz YBTIFGFEQMZKJJ-UHFFFAOYSA-N -1 0 321.380 3.954 20 0 DHADRM CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC000567009775 341574242 /nfs/dbraw/zinc/57/42/42/341574242.db2.gz QAQZBHLZCBRQMK-CQSZACIVSA-N -1 0 323.820 3.521 20 0 DHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000155012424 341600062 /nfs/dbraw/zinc/60/00/62/341600062.db2.gz JMZOZMFNDXBUNN-UHFFFAOYSA-N -1 0 305.330 3.681 20 0 DHADRM CC(C)[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000567969367 341643315 /nfs/dbraw/zinc/64/33/15/341643315.db2.gz YMXXQLNFGDWJFF-HUUCEWRRSA-N -1 0 313.353 3.592 20 0 DHADRM CCCc1sc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1CC ZINC000315149504 341655026 /nfs/dbraw/zinc/65/50/26/341655026.db2.gz CXFKUGRHDMQHEG-GFCCVEGCSA-N -1 0 323.458 3.590 20 0 DHADRM CCOCc1ccc(-c2ccc(OC)cc2CC(=O)[O-])cc1F ZINC000568264924 341662192 /nfs/dbraw/zinc/66/21/92/341662192.db2.gz HDKSAXBVODRMGC-UHFFFAOYSA-N -1 0 318.344 3.665 20 0 DHADRM CC(C)c1ccccc1NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568466318 341672172 /nfs/dbraw/zinc/67/21/72/341672172.db2.gz AKPXEOGQFSQWQA-LBPRGKRZSA-N -1 0 304.390 3.670 20 0 DHADRM C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1nc2c(s1)CCC2 ZINC000568737051 341680089 /nfs/dbraw/zinc/68/00/89/341680089.db2.gz WFYRRTDEMYDCHO-VIFPVBQESA-N -1 0 320.487 3.736 20 0 DHADRM O=C([O-])CCC1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000568986405 341687418 /nfs/dbraw/zinc/68/74/18/341687418.db2.gz BYTGRZGUNRCMBL-UHFFFAOYSA-N -1 0 316.426 3.891 20 0 DHADRM CC(C)c1nc(N2CCC(CC(=O)[O-])CC2)cc(C(C)(C)C)n1 ZINC000572884390 341707780 /nfs/dbraw/zinc/70/77/80/341707780.db2.gz CKZXTLGTTSOTQQ-UHFFFAOYSA-N -1 0 319.449 3.589 20 0 DHADRM Cc1cccc([C@@H](NCc2cnc(C3CC3)s2)C(=O)[O-])c1C ZINC000573698653 341736370 /nfs/dbraw/zinc/73/63/70/341736370.db2.gz FEBGJDSCKFHKPG-OAHLLOKOSA-N -1 0 316.426 3.553 20 0 DHADRM O=C([O-])CN(C(=O)c1ccc2sccc2c1)c1ccccc1 ZINC000337765507 341813965 /nfs/dbraw/zinc/81/39/65/341813965.db2.gz ZEBYCLNFVYHBDH-UHFFFAOYSA-N -1 0 311.362 3.633 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000576297363 341839093 /nfs/dbraw/zinc/83/90/93/341839093.db2.gz OEGGFSCFABMCNA-INIZCTEOSA-N -1 0 312.369 3.559 20 0 DHADRM CCc1sc(C(=O)[O-])cc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000580581074 341881302 /nfs/dbraw/zinc/88/13/02/341881302.db2.gz HFBDQNQFBAJVSB-ZDUSSCGKSA-N -1 0 318.394 3.843 20 0 DHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000174533202 518189544 /nfs/dbraw/zinc/18/95/44/518189544.db2.gz SJYJGBOMCXEPJA-LBPRGKRZSA-N -1 0 319.788 3.551 20 0 DHADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000236725771 518535816 /nfs/dbraw/zinc/53/58/16/518535816.db2.gz YEYSLQCQDGMMQR-UHFFFAOYSA-N -1 0 317.410 3.682 20 0 DHADRM CC(C)(CC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC000236792260 519189359 /nfs/dbraw/zinc/18/93/59/519189359.db2.gz WRZWCGJOSNHRLD-UHFFFAOYSA-N -1 0 305.418 3.506 20 0 DHADRM CC(C)CCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000236689355 519636473 /nfs/dbraw/zinc/63/64/73/519636473.db2.gz NWJXXBTZYDVNRY-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000236784497 519840229 /nfs/dbraw/zinc/84/02/29/519840229.db2.gz CUDVTACFDMAXRZ-SJORKVTESA-N -1 0 317.429 3.675 20 0 DHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c1 ZINC000338220722 520052599 /nfs/dbraw/zinc/05/25/99/520052599.db2.gz DWOVMWPRHFBBIX-UHFFFAOYSA-N -1 0 321.446 3.562 20 0 DHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC000128670473 521681122 /nfs/dbraw/zinc/68/11/22/521681122.db2.gz RHMZKBOEBAMHLB-UHFFFAOYSA-N -1 0 319.401 3.619 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000191402870 521728496 /nfs/dbraw/zinc/72/84/96/521728496.db2.gz ILOSUVGFIBFGOM-DOMZBBRYSA-N -1 0 323.458 3.666 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000249311321 521797440 /nfs/dbraw/zinc/79/74/40/521797440.db2.gz OEWCXGFLAXURRO-YWPYICTPSA-N -1 0 323.458 3.723 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000131300255 522040432 /nfs/dbraw/zinc/04/04/32/522040432.db2.gz QVAUBSGWZQSSAL-JTQLQIEISA-N -1 0 308.403 3.606 20 0 DHADRM CC[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000182825155 523303068 /nfs/dbraw/zinc/30/30/68/523303068.db2.gz OVGLHLGZCGRXAL-BDAKNGLRSA-N -1 0 301.308 3.508 20 0 DHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237424679 524120038 /nfs/dbraw/zinc/12/00/38/524120038.db2.gz ZERMCZCWIPIIIN-SNVBAGLBSA-N -1 0 321.373 3.537 20 0 DHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(C)o1 ZINC000236634702 524159928 /nfs/dbraw/zinc/15/99/28/524159928.db2.gz JWYMOUNGOTXYKF-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263462724 524166756 /nfs/dbraw/zinc/16/67/56/524166756.db2.gz VZLAIHLYLMGQFV-UGSOOPFHSA-N -1 0 323.392 3.970 20 0 DHADRM Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])c(C)n1C(C)C ZINC000236711336 524180768 /nfs/dbraw/zinc/18/07/68/524180768.db2.gz UFRQQJOFIFGYEC-UHFFFAOYSA-N -1 0 314.385 3.565 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000191418380 524215463 /nfs/dbraw/zinc/21/54/63/524215463.db2.gz VGLIIHAZQMYVJJ-CYBMUJFWSA-N -1 0 311.381 3.819 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000237490782 524251393 /nfs/dbraw/zinc/25/13/93/524251393.db2.gz FOLCISIKSBFUOL-LLVKDONJSA-N -1 0 303.383 3.508 20 0 DHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237534052 524443286 /nfs/dbraw/zinc/44/32/86/524443286.db2.gz ZERMCZCWIPIIIN-JTQLQIEISA-N -1 0 321.373 3.537 20 0 DHADRM Cc1ccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)o1 ZINC000336862946 524611572 /nfs/dbraw/zinc/61/15/72/524611572.db2.gz CBFJLQOPXLLFLM-LJQANCHMSA-N -1 0 313.397 3.729 20 0 DHADRM Cc1ccccc1N(Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000105614753 525219448 /nfs/dbraw/zinc/21/94/48/525219448.db2.gz SNABXXVAPKJBOE-UHFFFAOYSA-N -1 0 313.426 3.708 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237676822 525437208 /nfs/dbraw/zinc/43/72/08/525437208.db2.gz OCBXRCKUBGXDLH-CYBMUJFWSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1cc2cc(NC(=O)c3s[n-]c(=O)c3Cl)ccc2[nH]1 ZINC000339237600 525648584 /nfs/dbraw/zinc/64/85/84/525648584.db2.gz QVAGCNVMDOJLHO-UHFFFAOYSA-N -1 0 307.762 3.544 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1cc(F)ccc1O)C1CCCCC1 ZINC000237577300 525739002 /nfs/dbraw/zinc/73/90/02/525739002.db2.gz QQSRDIYOQXDWTG-KRWDZBQOSA-N -1 0 323.364 3.531 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCCCCCC1)C(=O)[O-] ZINC000237550392 525992768 /nfs/dbraw/zinc/99/27/68/525992768.db2.gz YDKIHCUOHKDXTG-ZDUSSCGKSA-N -1 0 321.442 3.658 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000171790594 526047009 /nfs/dbraw/zinc/04/70/09/526047009.db2.gz NYRHXMDJWZESFL-LMWSTFAQSA-N -1 0 323.820 3.750 20 0 DHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CCCC2)cc1 ZINC000237356297 526076346 /nfs/dbraw/zinc/07/63/46/526076346.db2.gz TWLXNOVUSIDGFY-HNNXBMFYSA-N -1 0 321.442 3.621 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000183765601 526406164 /nfs/dbraw/zinc/40/61/64/526406164.db2.gz VTLIRQVNHLIFNW-UHFFFAOYSA-N -1 0 315.325 3.552 20 0 DHADRM Cc1sc(/C=C\c2cnn(-c3ccccc3)c2)nc1C(=O)[O-] ZINC000339120729 526867142 /nfs/dbraw/zinc/86/71/42/526867142.db2.gz SIVSDAIWGQYPED-FPLPWBNLSA-N -1 0 311.366 3.506 20 0 DHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1=COCCC1 ZINC000127784289 527093494 /nfs/dbraw/zinc/09/34/94/527093494.db2.gz PXGXBGLNNVTHIS-UHFFFAOYSA-N -1 0 322.575 3.985 20 0 DHADRM O=C([O-])CCCCCNC(=O)C1CCC(c2ccccc2)CC1 ZINC000238138470 527580100 /nfs/dbraw/zinc/58/01/00/527580100.db2.gz KNRSYOOSIWKLJF-UHFFFAOYSA-N -1 0 317.429 3.722 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)C2CCCC2)c1 ZINC000238211541 527593764 /nfs/dbraw/zinc/59/37/64/527593764.db2.gz NIZMPEXFPCFLTC-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000193448533 527598112 /nfs/dbraw/zinc/59/81/12/527598112.db2.gz KEXVILILUQJBQQ-HNNXBMFYSA-N -1 0 317.772 3.676 20 0 DHADRM COc1cc(C)c(CNc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC000340671413 536578225 /nfs/dbraw/zinc/57/82/25/536578225.db2.gz OBRBXEZHNQVPOU-UHFFFAOYSA-N -1 0 315.369 3.631 20 0 DHADRM CN(C(=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 ZINC000737327825 602671139 /nfs/dbraw/zinc/67/11/39/602671139.db2.gz ANCGNLVEYRIGKF-SECBINFHSA-N -1 0 302.193 3.596 20 0 DHADRM Cc1cccc(-c2n[nH]cc2CNc2cccc(CC(=O)[O-])c2)c1 ZINC000818936036 597139607 /nfs/dbraw/zinc/13/96/07/597139607.db2.gz BDERTIDQMSBKKS-UHFFFAOYSA-N -1 0 321.380 3.624 20 0 DHADRM CC(C)c1csc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000387931929 597167658 /nfs/dbraw/zinc/16/76/58/597167658.db2.gz BXHGZFUWSCGUSU-UHFFFAOYSA-N -1 0 319.386 3.538 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000321256637 597182290 /nfs/dbraw/zinc/18/22/90/597182290.db2.gz XOSCHGZUFMCHJW-INIZCTEOSA-N -1 0 316.401 3.500 20 0 DHADRM C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071261 597286142 /nfs/dbraw/zinc/28/61/42/597286142.db2.gz MFCOYSPUQXZEJS-MGUXCZDKSA-N -1 0 324.348 3.673 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)NCCCC(=O)[O-] ZINC000263108659 597320103 /nfs/dbraw/zinc/32/01/03/597320103.db2.gz VMCWSGCGHWTDBW-UHFFFAOYSA-N -1 0 324.446 3.623 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818161981 597338120 /nfs/dbraw/zinc/33/81/20/597338120.db2.gz MDMOXLJBYQPHTD-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@H](CCC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000262743677 597368144 /nfs/dbraw/zinc/36/81/44/597368144.db2.gz AGULXPHJYWHMDV-CQSZACIVSA-N -1 0 311.381 3.836 20 0 DHADRM Cc1ccc(-c2nnc(SCCCCC(=O)[O-])o2)cc1C ZINC000738250666 597746335 /nfs/dbraw/zinc/74/63/35/597746335.db2.gz FRVMCHQYYHQPQK-UHFFFAOYSA-N -1 0 306.387 3.700 20 0 DHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1Cl ZINC000160237691 598049379 /nfs/dbraw/zinc/04/93/79/598049379.db2.gz YFRKRNLLPYUAHK-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1 ZINC000821546122 598155407 /nfs/dbraw/zinc/15/54/07/598155407.db2.gz ZSKRRBILCOPVNI-UHFFFAOYSA-N -1 0 324.361 3.761 20 0 DHADRM O=C([O-])CCCCNC(=O)c1sc2ccccc2c1Cl ZINC000070197685 598165707 /nfs/dbraw/zinc/16/57/07/598165707.db2.gz PXKXYVKGQIGDPD-UHFFFAOYSA-N -1 0 311.790 3.539 20 0 DHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000573809350 599709193 /nfs/dbraw/zinc/70/91/93/599709193.db2.gz XUQXBCSFAPVFCQ-HIFRSBDPSA-N -1 0 305.374 3.850 20 0 DHADRM CCCC[C@H](Sc1nnc(-c2ccccc2C)n1C)C(=O)[O-] ZINC000736986706 599710407 /nfs/dbraw/zinc/71/04/07/599710407.db2.gz ZFXYPCLMAJZQBK-ZDUSSCGKSA-N -1 0 319.430 3.526 20 0 DHADRM CCCc1ccc([C@@H](NC(=O)CCCNC(=O)[O-])C(C)C)cc1 ZINC000737045295 599712231 /nfs/dbraw/zinc/71/22/31/599712231.db2.gz RGMSLRWWAYXMSN-KRWDZBQOSA-N -1 0 320.433 3.500 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)NCC2CCCCC2)ccc1F ZINC000740009123 599716322 /nfs/dbraw/zinc/71/63/22/599716322.db2.gz 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ZINC000740053863 599868466 /nfs/dbraw/zinc/86/84/66/599868466.db2.gz DJXQUUNBILTFHC-UHFFFAOYSA-N -1 0 311.746 3.848 20 0 DHADRM O=C([O-])c1sc(NC2CC(c3ccccc3)C2)nc1Cl ZINC000740279884 599874006 /nfs/dbraw/zinc/87/40/06/599874006.db2.gz RUIBHCUQOHRJRH-UHFFFAOYSA-N -1 0 308.790 3.853 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2cc3c(cccc3F)s2)c1 ZINC000740271909 599878153 /nfs/dbraw/zinc/87/81/53/599878153.db2.gz UANICPHPOICGCY-UHFFFAOYSA-N -1 0 320.297 3.689 20 0 DHADRM O=C([O-])c1coc(COC(=O)c2occc2-c2ccccc2)c1 ZINC000740268728 599879598 /nfs/dbraw/zinc/87/95/98/599879598.db2.gz FXYJKBBSHXEVRG-UHFFFAOYSA-N -1 0 312.277 3.595 20 0 DHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000736385253 599888379 /nfs/dbraw/zinc/88/83/79/599888379.db2.gz PCOQYWMIKUVCAF-INIZCTEOSA-N -1 0 313.353 3.551 20 0 DHADRM COc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738107279 599891775 /nfs/dbraw/zinc/89/17/75/599891775.db2.gz XACCUAPWYSDOKP-UHFFFAOYSA-N -1 0 316.382 3.511 20 0 DHADRM Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738736419 599892139 /nfs/dbraw/zinc/89/21/39/599892139.db2.gz LIVNWJYVIFEMIL-UHFFFAOYSA-N -1 0 300.383 3.811 20 0 DHADRM CN(Cc1ccccc1Cl)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737492430 599895003 /nfs/dbraw/zinc/89/50/03/599895003.db2.gz SHALOWDWCNIBDN-UHFFFAOYSA-N -1 0 318.760 3.702 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000737865837 599895343 /nfs/dbraw/zinc/89/53/43/599895343.db2.gz LALJEVPIFJCMLH-UHFFFAOYSA-N -1 0 320.728 3.574 20 0 DHADRM CCc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737258325 599896275 /nfs/dbraw/zinc/89/62/75/599896275.db2.gz CDQSNGVRXRHORJ-LBPRGKRZSA-N -1 0 312.369 3.830 20 0 DHADRM CSc1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738213459 599896277 /nfs/dbraw/zinc/89/62/77/599896277.db2.gz YLZATMVSGPIOLG-UHFFFAOYSA-N -1 0 303.339 3.718 20 0 DHADRM CC(C)[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736390602 599897582 /nfs/dbraw/zinc/89/75/82/599897582.db2.gz UARGPLBIUVOXLS-MRXNPFEDSA-N -1 0 312.369 3.904 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c(C)s1 ZINC000738351971 599903242 /nfs/dbraw/zinc/90/32/42/599903242.db2.gz PWFIOFFSLMMMGJ-JTQLQIEISA-N -1 0 318.398 3.946 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000740034594 599906466 /nfs/dbraw/zinc/90/64/66/599906466.db2.gz XLXGBXQRKAJGBI-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM Cc1sc(NC(=O)Cc2cccc(C)c2)c(C(=O)[O-])c1C ZINC000052127227 599912166 /nfs/dbraw/zinc/91/21/66/599912166.db2.gz JAVVJVCOPGQZIX-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM C[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1F ZINC000736560293 599912229 /nfs/dbraw/zinc/91/22/29/599912229.db2.gz DBNIDRRCJUVOMK-LBPRGKRZSA-N -1 0 316.328 3.552 20 0 DHADRM Cc1cc(NC(=O)/C=C/Sc2ccccc2)ccc1C(=O)[O-] ZINC000738426263 599917418 /nfs/dbraw/zinc/91/74/18/599917418.db2.gz WLDHRWPZMWMWIL-MDZDMXLPSA-N -1 0 313.378 3.938 20 0 DHADRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000178098527 599931296 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600372181 /nfs/dbraw/zinc/37/21/81/600372181.db2.gz XVUFMPZLFORCTQ-UHFFFAOYSA-N -1 0 317.410 3.979 20 0 DHADRM Cc1cc(NC(=O)[C@H]2CCCc3ccccc32)sc1C(=O)[O-] ZINC000386433632 600372387 /nfs/dbraw/zinc/37/23/87/600372387.db2.gz RHMKNEMITDNXNS-ZDUSSCGKSA-N -1 0 315.394 3.813 20 0 DHADRM Cc1cc(NC(=O)C(C)(C)c2ccccc2C)sc1C(=O)[O-] ZINC000738757060 600372922 /nfs/dbraw/zinc/37/29/22/600372922.db2.gz USALBENBQBWYIU-UHFFFAOYSA-N -1 0 317.410 3.979 20 0 DHADRM Cc1cc(NC(=O)C2(c3ccccc3C)CC2)sc1C(=O)[O-] ZINC000738319940 600372925 /nfs/dbraw/zinc/37/29/25/600372925.db2.gz IMFPHXPMMNRJCJ-UHFFFAOYSA-N -1 0 315.394 3.733 20 0 DHADRM O=C([O-])c1ccc(CCNC(=O)CC/C=C/c2ccccc2)cc1 ZINC000238075389 600373611 /nfs/dbraw/zinc/37/36/11/600373611.db2.gz DIVRMIRGHYCCKP-XBXARRHUSA-N -1 0 323.392 3.537 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136142148 600377651 /nfs/dbraw/zinc/37/76/51/600377651.db2.gz DXPMXFYGQYSSFK-RHSMWYFYSA-N -1 0 317.429 3.627 20 0 DHADRM CCc1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000737255366 600378761 /nfs/dbraw/zinc/37/87/61/600378761.db2.gz BVYKOIGLHFSJSU-KRWDZBQOSA-N -1 0 311.381 3.759 20 0 DHADRM O=C([O-])[C@@H](Sc1nccn1C1CC1)c1cccc(Cl)c1 ZINC000739511257 600379306 /nfs/dbraw/zinc/37/93/06/600379306.db2.gz GEMQBYNOMANXOP-LBPRGKRZSA-N -1 0 308.790 3.789 20 0 DHADRM CCOC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737136374 600380070 /nfs/dbraw/zinc/38/00/70/600380070.db2.gz KADZYOULHDMQRZ-RNCFNFMXSA-N -1 0 316.806 3.541 20 0 DHADRM O=C(/C=C\c1ccnc2ccccc12)Nc1ccsc1C(=O)[O-] ZINC000739217185 600381061 /nfs/dbraw/zinc/38/10/61/600381061.db2.gz WTRLECTULIJYEF-WAYWQWQTSA-N -1 0 324.361 3.646 20 0 DHADRM Cc1sc(NC(=O)c2cc3ccccn3c2)c(C(=O)[O-])c1C ZINC000738997000 600383013 /nfs/dbraw/zinc/38/30/13/600383013.db2.gz QUQBPFIPZLJCCD-UHFFFAOYSA-N -1 0 314.366 3.568 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479579188 600383186 /nfs/dbraw/zinc/38/31/86/600383186.db2.gz 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600407577 /nfs/dbraw/zinc/40/75/77/600407577.db2.gz KEPASCJHXRFUOR-LLVKDONJSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000678991841 600411572 /nfs/dbraw/zinc/41/15/72/600411572.db2.gz CCHLYFHWLGGOTQ-QGZVFWFLSA-N -1 0 309.365 3.534 20 0 DHADRM C[C@H]1CCCC[C@H]1CCNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736783353 600412190 /nfs/dbraw/zinc/41/21/90/600412190.db2.gz YNKMJQSTDZZYMP-HOCLYGCPSA-N -1 0 317.429 3.650 20 0 DHADRM Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000140608987 600420327 /nfs/dbraw/zinc/42/03/27/600420327.db2.gz FGIDUVDKPAZENT-CQSZACIVSA-N -1 0 320.186 3.995 20 0 DHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000739513257 600422226 /nfs/dbraw/zinc/42/22/26/600422226.db2.gz RUUXSEKMUNCFAR-HNNXBMFYSA-N -1 0 303.745 3.513 20 0 DHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000738038162 600424782 /nfs/dbraw/zinc/42/47/82/600424782.db2.gz BOTAZIAUPHNALZ-CQSZACIVSA-N -1 0 309.724 3.726 20 0 DHADRM O=C([O-])[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000738523832 600425594 /nfs/dbraw/zinc/42/55/94/600425594.db2.gz FBTJSCOJWXTWMW-ZDUSSCGKSA-N -1 0 311.259 3.665 20 0 DHADRM CC(C)OCc1cccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736485885 600428923 /nfs/dbraw/zinc/42/89/23/600428923.db2.gz GDNRFSXLIPZWFB-KRWDZBQOSA-N -1 0 317.360 3.989 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC000736755688 600429807 /nfs/dbraw/zinc/42/98/07/600429807.db2.gz ORLROTKVOMHJTP-VXGBXAGGSA-N -1 0 304.390 3.571 20 0 DHADRM O=C([O-])[C@H](Nc1ccc(OC2CCCC2)nc1)c1ccccc1 ZINC000739515128 600433414 /nfs/dbraw/zinc/43/34/14/600433414.db2.gz ZLBJJFSEYZLBIZ-QGZVFWFLSA-N -1 0 312.369 3.641 20 0 DHADRM CCc1nc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cs1 ZINC000737276645 600436215 /nfs/dbraw/zinc/43/62/15/600436215.db2.gz LQDBAIMTIXQESM-YMTOWFKASA-N -1 0 324.833 3.835 20 0 DHADRM O=C([O-])[C@H](OC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000740289147 600445887 /nfs/dbraw/zinc/44/58/87/600445887.db2.gz DIJFBTATCYFJNI-QGZVFWFLSA-N -1 0 324.307 3.962 20 0 DHADRM Cc1noc(C)c1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738386639 600451132 /nfs/dbraw/zinc/45/11/32/600451132.db2.gz SUUZZHLJZAZCLY-UHFFFAOYSA-N -1 0 322.386 3.601 20 0 DHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736780159 600455324 /nfs/dbraw/zinc/45/53/24/600455324.db2.gz KQCQWCXJUASZNZ-DZGCQCFKSA-N -1 0 318.417 3.652 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CC/C=C/c2ccccc2)c1O ZINC000739237076 600464901 /nfs/dbraw/zinc/46/49/01/600464901.db2.gz XYMXXABEKJRZOB-RUDMXATFSA-N -1 0 311.337 3.523 20 0 DHADRM O=C([O-])c1ccc(OC(=O)c2ccccc2OC2CCC2)cc1 ZINC000740161426 600474254 /nfs/dbraw/zinc/47/42/54/600474254.db2.gz QYVBCFNMXIMVOC-UHFFFAOYSA-N -1 0 312.321 3.535 20 0 DHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000315255906 600475239 /nfs/dbraw/zinc/47/52/39/600475239.db2.gz LDPIGBFEFQQVMX-JTQLQIEISA-N -1 0 318.398 3.507 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nccs1 ZINC000736915185 600477185 /nfs/dbraw/zinc/47/71/85/600477185.db2.gz ZIKFYMFTXATLAG-LLVKDONJSA-N -1 0 320.374 3.506 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736904140 600477315 /nfs/dbraw/zinc/47/73/15/600477315.db2.gz QMJODGQOMRTRTN-MRXNPFEDSA-N -1 0 311.381 3.521 20 0 DHADRM CSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])o1 ZINC000738198946 600478483 /nfs/dbraw/zinc/47/84/83/600478483.db2.gz IHMCSTMXFXLCRJ-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736880568 600479013 /nfs/dbraw/zinc/47/90/13/600479013.db2.gz RMEYMUJCMRUSJE-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])CCCOc1ccc(NC(=O)CC2=CCCCC2)cc1 ZINC000238000089 600480600 /nfs/dbraw/zinc/48/06/00/600480600.db2.gz JQIMEWKULYOOTO-UHFFFAOYSA-N -1 0 317.385 3.759 20 0 DHADRM O=C([O-])CCCOc1ccc(NC(=O)C=C2CCCCC2)cc1 ZINC000739686304 600483137 /nfs/dbraw/zinc/48/31/37/600483137.db2.gz CKMUTEMVKAELSP-UHFFFAOYSA-N -1 0 317.385 3.759 20 0 DHADRM O=C([O-])C1(NC(=O)c2cccc(Nc3ccccc3)c2)CCCC1 ZINC000676209715 600484210 /nfs/dbraw/zinc/48/42/10/600484210.db2.gz DLNAQQAGGVUSIW-UHFFFAOYSA-N -1 0 324.380 3.557 20 0 DHADRM CN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000048814125 600506510 /nfs/dbraw/zinc/50/65/10/600506510.db2.gz ODMIIHPELXDVAY-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736904813 600507803 /nfs/dbraw/zinc/50/78/03/600507803.db2.gz YNDHKLRLLANCNX-MRXNPFEDSA-N -1 0 312.365 3.697 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736904663 600508066 /nfs/dbraw/zinc/50/80/66/600508066.db2.gz WSBQKELTJHCSNN-INIZCTEOSA-N -1 0 312.365 3.697 20 0 DHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000048814105 600509166 /nfs/dbraw/zinc/50/91/66/600509166.db2.gz UPVMFXFXMFVEDJ-NXEZZACHSA-N -1 0 310.781 3.738 20 0 DHADRM CCN(C(=O)[C@@H]1CCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737053033 600523151 /nfs/dbraw/zinc/52/31/51/600523151.db2.gz PJJGIFLOJFAOOZ-MRXNPFEDSA-N -1 0 323.392 3.858 20 0 DHADRM CCN(C(=O)CCCc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737053026 600523182 /nfs/dbraw/zinc/52/31/82/600523182.db2.gz PGZYHHNYMAZREW-UHFFFAOYSA-N -1 0 311.381 3.761 20 0 DHADRM CCN(C(=O)CCc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737052530 600523913 /nfs/dbraw/zinc/52/39/13/600523913.db2.gz GDNAOEJKTPBTPY-UHFFFAOYSA-N -1 0 315.344 3.510 20 0 DHADRM CS[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000179531780 600526356 /nfs/dbraw/zinc/52/63/56/600526356.db2.gz BIQSNNYWFJFBHP-HNNXBMFYSA-N -1 0 315.394 3.736 20 0 DHADRM CC(C)(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000736298862 600532319 /nfs/dbraw/zinc/53/23/19/600532319.db2.gz VKLQQQOFDJIYRW-MRXNPFEDSA-N -1 0 319.445 3.532 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)C1CCSCC1 ZINC000389414551 600533566 /nfs/dbraw/zinc/53/35/66/600533566.db2.gz SVVFQDXCIANPHK-UHFFFAOYSA-N -1 0 315.394 3.620 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)CCC(=O)[O-])C1CCC(C)CC1 ZINC000738759001 600535754 /nfs/dbraw/zinc/53/57/54/600535754.db2.gz UJLOMFUMQCCSPV-TYJKZOGGSA-N -1 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CC(C)c1ccccc1NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-] ZINC000736616075 600599150 /nfs/dbraw/zinc/59/91/50/600599150.db2.gz JFEALHUIOCWJBE-NEPJUHHUSA-N -1 0 309.431 3.591 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-] ZINC000738690412 600600498 /nfs/dbraw/zinc/60/04/98/600600498.db2.gz JIPBXTIMSWNMET-OLZOCXBDSA-N -1 0 323.458 3.899 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000315649751 600600549 /nfs/dbraw/zinc/60/05/49/600600549.db2.gz MTIOXFCFVSGYBU-GHMZBOCLSA-N -1 0 304.390 3.639 20 0 DHADRM C[C@H](CSCCOc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736612981 600601093 /nfs/dbraw/zinc/60/10/93/600601093.db2.gz FDQVDLYMYAZUBP-SECBINFHSA-N -1 0 308.321 3.538 20 0 DHADRM C[C@H](CSCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000086109013 600601760 /nfs/dbraw/zinc/60/17/60/600601760.db2.gz WSKCUTHUJDKWJK-SECBINFHSA-N -1 0 311.790 3.949 20 0 DHADRM O=C([O-])CN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000337733210 600603479 /nfs/dbraw/zinc/60/34/79/600603479.db2.gz 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CCS[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(C)C ZINC000737230531 600621957 /nfs/dbraw/zinc/62/19/57/600621957.db2.gz RWSQSEUPSQGXGS-GFCCVEGCSA-N -1 0 315.822 3.754 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000147453478 600622442 /nfs/dbraw/zinc/62/24/42/600622442.db2.gz YYDCAVNXOBZQKL-UHFFFAOYSA-N -1 0 324.163 3.873 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000736186092 600623485 /nfs/dbraw/zinc/62/34/85/600623485.db2.gz UWIFDBVVGBAIPL-UHFFFAOYSA-N -1 0 323.757 3.555 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736939886 600624745 /nfs/dbraw/zinc/62/47/45/600624745.db2.gz BSHPVNZRYUMIKZ-AWEZNQCLSA-N -1 0 305.378 3.963 20 0 DHADRM C[C@@H]1CC(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC000322948880 600626520 /nfs/dbraw/zinc/62/65/20/600626520.db2.gz SEUUTOTYCGGZMD-STQMWFEESA-N -1 0 318.417 3.650 20 0 DHADRM Cc1ccnc(-c2cccc(NCc3cccc(C(=O)[O-])c3)c2)n1 ZINC000738791818 600626510 /nfs/dbraw/zinc/62/65/10/600626510.db2.gz 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C[C@H](OC(=O)c1cc2cccc(F)c2o1)c1ccc(C(=O)[O-])o1 ZINC000827851203 600699051 /nfs/dbraw/zinc/69/90/51/600699051.db2.gz CFJJIWVYPHVCDO-QMMMGPOBSA-N -1 0 318.256 3.781 20 0 DHADRM Cc1ccc2[nH]c(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2c1 ZINC000832958506 600700459 /nfs/dbraw/zinc/70/04/59/600700459.db2.gz IKIKTDWEJIWDES-UHFFFAOYSA-N -1 0 319.320 3.892 20 0 DHADRM C[C@@H](c1cccs1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827956687 600701354 /nfs/dbraw/zinc/70/13/54/600701354.db2.gz IVFMOEBTTYAOOR-VIFPVBQESA-N -1 0 300.339 3.648 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C)c1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827811448 600704986 /nfs/dbraw/zinc/70/49/86/600704986.db2.gz TVPHVFDDGJKZKR-VHSXEESVSA-N -1 0 306.289 3.525 20 0 DHADRM C[C@H](OC(=O)c1cnc2ccsc2c1)c1ccc(C(=O)[O-])o1 ZINC000827868618 600708368 /nfs/dbraw/zinc/70/83/68/600708368.db2.gz XIWWVVOSHGDLKP-QMMMGPOBSA-N -1 0 317.322 3.506 20 0 DHADRM C/C(=C\CSCc1ccc(Br)cc1)C(=O)[O-] ZINC000825787078 600726014 /nfs/dbraw/zinc/72/60/14/600726014.db2.gz 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CCC/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000829207742 600807155 /nfs/dbraw/zinc/80/71/55/600807155.db2.gz DMIRMOPQCYSADR-ZHZWZMEUSA-N -1 0 309.793 3.718 20 0 DHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738688922 600808952 /nfs/dbraw/zinc/80/89/52/600808952.db2.gz AKZHOZYRTKWGKD-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000828377627 600813617 /nfs/dbraw/zinc/81/36/17/600813617.db2.gz KYBCEOWNLJDFCB-WBMJQRKESA-N -1 0 310.353 3.610 20 0 DHADRM CC(C)C[C@@H](CNc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC000826779681 600815821 /nfs/dbraw/zinc/81/58/21/600815821.db2.gz FRTPOJDXIVSZPA-QMMMGPOBSA-N -1 0 324.730 3.913 20 0 DHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1CCCCCCC1 ZINC000737858973 600824667 /nfs/dbraw/zinc/82/46/67/600824667.db2.gz PUGLOIUSEDBWJG-UHFFFAOYSA-N -1 0 306.358 3.659 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1CCCCCCC1 ZINC000315929372 600827941 /nfs/dbraw/zinc/82/79/41/600827941.db2.gz 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Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)S[C@H](C)C(C)C ZINC000832915130 600845001 /nfs/dbraw/zinc/84/50/01/600845001.db2.gz HPBWRACCJYAKTI-NEPJUHHUSA-N -1 0 309.431 3.798 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000317141908 600847178 /nfs/dbraw/zinc/84/71/78/600847178.db2.gz SJACIKGYEKAQTF-LBPRGKRZSA-N -1 0 315.756 3.559 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)c2coc3ccccc23)c2ccccc21 ZINC000325310043 600847279 /nfs/dbraw/zinc/84/72/79/600847279.db2.gz SIISUQFHWGXNAK-LBPRGKRZSA-N -1 0 321.332 3.652 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2Cl)c2ccccc21 ZINC000316250134 600850388 /nfs/dbraw/zinc/85/03/88/600850388.db2.gz DPGJAIPLLJUMON-NSHDSACASA-N -1 0 315.756 3.559 20 0 DHADRM C/C(=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736122373 600855107 /nfs/dbraw/zinc/85/51/07/600855107.db2.gz ZQIISKDMJUSYDW-UKYUDJEDSA-N -1 0 321.376 3.695 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cc(Cl)ccc2Cl)C1 ZINC000833187327 600873838 /nfs/dbraw/zinc/87/38/38/600873838.db2.gz 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601072688 /nfs/dbraw/zinc/07/26/88/601072688.db2.gz JOFDCMRWPKHPFR-AWEZNQCLSA-N -1 0 322.357 3.741 20 0 DHADRM CC/C(=C\C(=O)NC(C)(C)CC(=O)[O-])c1cccc(Cl)c1 ZINC000828549632 601076536 /nfs/dbraw/zinc/07/65/36/601076536.db2.gz NKJKEEFXQLBNKT-PKNBQFBNSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000062469448 601078110 /nfs/dbraw/zinc/07/81/10/601078110.db2.gz MAWHQTNKAGBSCA-UHFFFAOYSA-N -1 0 318.398 3.700 20 0 DHADRM CC(C)c1cnc(NC(=O)c2ccccc2NC(=O)[O-])s1 ZINC000163855820 601084732 /nfs/dbraw/zinc/08/47/32/601084732.db2.gz OSQVSDOBZSCTDW-UHFFFAOYSA-N -1 0 305.359 3.609 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])C1 ZINC000828233709 601089339 /nfs/dbraw/zinc/08/93/39/601089339.db2.gz QXFSFJWEETVNJA-IWCQGFGOSA-N -1 0 321.461 3.695 20 0 DHADRM C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000391107509 601091111 /nfs/dbraw/zinc/09/11/11/601091111.db2.gz DGYJZBZZVKUEDU-MQMHXKEQSA-N -1 0 318.417 3.749 20 0 DHADRM C/C(=C/COc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000214646777 601097927 /nfs/dbraw/zinc/09/79/27/601097927.db2.gz OCOOFQHXUNTWHS-DAXSKMNVSA-N -1 0 305.555 3.512 20 0 DHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828060023 601127828 /nfs/dbraw/zinc/12/78/28/601127828.db2.gz AFTSRIKPLHYMFO-LBPRGKRZSA-N -1 0 309.341 3.616 20 0 DHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000048814156 601130007 /nfs/dbraw/zinc/13/00/07/601130007.db2.gz WBLWHITYYRNUDE-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1Cl ZINC000833318515 601134570 /nfs/dbraw/zinc/13/45/70/601134570.db2.gz HWXQUTKXPXRFRF-UHFFFAOYSA-N -1 0 322.792 3.977 20 0 DHADRM Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000383791331 601135754 /nfs/dbraw/zinc/13/57/54/601135754.db2.gz MTERSRFHMXOQRA-UHFFFAOYSA-N -1 0 324.380 3.890 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828162553 601139962 /nfs/dbraw/zinc/13/99/62/601139962.db2.gz XAEMSOAPKAJPCH-SMDDNHRTSA-N -1 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/nfs/dbraw/zinc/14/66/81/601146681.db2.gz YQQOTJKQCAIIOW-RKDXNWHRSA-N -1 0 317.168 3.790 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccc(C(F)(F)F)cc2)C1 ZINC000833186187 601147546 /nfs/dbraw/zinc/14/75/46/601147546.db2.gz BFVFGSTXQLIILK-ZJUUUORDSA-N -1 0 316.275 3.502 20 0 DHADRM CC(=O)c1ccc2cc(OCc3cc(C(=O)[O-])co3)ccc2c1 ZINC000825956751 601148701 /nfs/dbraw/zinc/14/87/01/601148701.db2.gz DGIJUMAPKSREME-UHFFFAOYSA-N -1 0 310.305 3.913 20 0 DHADRM CC(C)N(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000826924806 601153208 /nfs/dbraw/zinc/15/32/08/601153208.db2.gz OXKXBLRPBPNCDJ-QWHCGFSZSA-N -1 0 323.820 3.972 20 0 DHADRM Cc1cccc(N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)c1 ZINC000832969525 601153408 /nfs/dbraw/zinc/15/34/08/601153408.db2.gz KUASQNKXGRGFOR-GJZGRUSLSA-N -1 0 303.402 3.627 20 0 DHADRM Cc1ccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000832934388 601153522 /nfs/dbraw/zinc/15/35/22/601153522.db2.gz DCHLLQVSRUBLJC-CABCVRRESA-N -1 0 303.402 3.627 20 0 DHADRM Cc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1F ZINC000320689350 601207024 /nfs/dbraw/zinc/20/70/24/601207024.db2.gz MKMHEXALRFCWAM-NEPJUHHUSA-N -1 0 304.321 3.543 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000390377094 601207323 /nfs/dbraw/zinc/20/73/23/601207323.db2.gz SZJQHPKXSZMYPB-RYUDHWBXSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1ccc(CCCC(=O)Oc2cccc(CC(=O)[O-])c2)s1 ZINC000832931185 601239495 /nfs/dbraw/zinc/23/94/95/601239495.db2.gz YXWRNKRWUMUASC-UHFFFAOYSA-N -1 0 318.394 3.612 20 0 DHADRM Cc1cc(C)cc(OCCNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832878474 601250446 /nfs/dbraw/zinc/25/04/46/601250446.db2.gz FCIKKHWBFXAYEN-UHFFFAOYSA-N -1 0 314.385 3.562 20 0 DHADRM CSc1ccc(OCCOc2cccc(NC(=O)[O-])c2)cc1 ZINC000832786099 601262129 /nfs/dbraw/zinc/26/21/29/601262129.db2.gz WKHSWEKVZINZDH-UHFFFAOYSA-N -1 0 319.382 3.956 20 0 DHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000825778248 601279043 /nfs/dbraw/zinc/27/90/43/601279043.db2.gz JYCWHTILAQDUEX-CXAGYDPISA-N -1 0 324.380 3.795 20 0 DHADRM C/C=C(/C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000828535049 601282381 /nfs/dbraw/zinc/28/23/81/601282381.db2.gz VNZNRZRHYFWQSU-LDJOOVGUSA-N -1 0 316.184 3.544 20 0 DHADRM CC(C)=C(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000826642385 601284443 /nfs/dbraw/zinc/28/44/43/601284443.db2.gz XORGJHIWUCGITJ-UHFFFAOYSA-N -1 0 307.415 3.689 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000237534794 601295310 /nfs/dbraw/zinc/29/53/10/601295310.db2.gz NWNPCDMTFKMEPB-YVEFUNNKSA-N -1 0 323.348 3.625 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000237755082 601298698 /nfs/dbraw/zinc/29/86/98/601298698.db2.gz KXBUPJQNFKNWHT-RNCFNFMXSA-N -1 0 323.801 3.593 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cc(F)ccc2s1 ZINC000262174964 601308189 /nfs/dbraw/zinc/30/81/89/601308189.db2.gz OGRVQROXCIDLHA-UHFFFAOYSA-N -1 0 323.389 3.804 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(SC(C)C)cc1 ZINC000262262242 601308553 /nfs/dbraw/zinc/30/85/53/601308553.db2.gz ZBHCAFAFXZHJQM-UHFFFAOYSA-N -1 0 323.458 3.950 20 0 DHADRM C/C(=C/C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000825734431 601318475 /nfs/dbraw/zinc/31/84/75/601318475.db2.gz IYHZJOSERIGUEI-QPEQYQDCSA-N -1 0 310.397 3.596 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828202006 601336620 /nfs/dbraw/zinc/33/66/20/601336620.db2.gz ZSKHZARYRZECBR-JRPNMDOOSA-N -1 0 320.364 3.709 20 0 DHADRM Cc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000832948787 601339154 /nfs/dbraw/zinc/33/91/54/601339154.db2.gz DXIQMHVMBJBACT-UHFFFAOYSA-N -1 0 321.789 3.551 20 0 DHADRM COc1cccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832561912 601339186 /nfs/dbraw/zinc/33/91/86/601339186.db2.gz FWIHSWAFWQRGNZ-UHFFFAOYSA-N -1 0 316.382 3.511 20 0 DHADRM CCOc1ccc(CSCc2ccc(C(=O)[O-])cc2)nc1 ZINC000830080897 601340680 /nfs/dbraw/zinc/34/06/80/601340680.db2.gz VSEOATRFDBMXPS-UHFFFAOYSA-N -1 0 303.383 3.612 20 0 DHADRM CN(C(=O)C/C=C/c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000830471934 601350041 /nfs/dbraw/zinc/35/00/41/601350041.db2.gz KQIPLGXKDAXVKD-SNAWJCMRSA-N -1 0 313.328 3.590 20 0 DHADRM Cc1cc(NC(=O)C/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000832893796 601350432 /nfs/dbraw/zinc/35/04/32/601350432.db2.gz UYAUVLWWYHXSRC-NSCUHMNNSA-N -1 0 319.357 3.936 20 0 DHADRM CCc1ccc(NC(=S)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818339278 601366973 /nfs/dbraw/zinc/36/69/73/601366973.db2.gz HFXDLNUUYQQZDL-UHFFFAOYSA-N -1 0 314.410 3.685 20 0 DHADRM Cc1ccc(F)c(NC(=S)Nc2ccccc2CC(=O)[O-])c1 ZINC000818892363 601367051 /nfs/dbraw/zinc/36/70/51/601367051.db2.gz FGMRQZFZTMBQMN-UHFFFAOYSA-N -1 0 318.373 3.570 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000386942413 601368646 /nfs/dbraw/zinc/36/86/46/601368646.db2.gz MCDULKYLMDJIAK-ZUZCIYMTSA-N -1 0 307.752 3.956 20 0 DHADRM Cc1ccccc1OCCCOc1ccccc1NC(=O)[O-] ZINC000832978829 601369223 /nfs/dbraw/zinc/36/92/23/601369223.db2.gz DCEKXROTKPRQGF-UHFFFAOYSA-N -1 0 301.342 3.933 20 0 DHADRM O=C([O-])c1ccoc1COc1ccc(Oc2nccs2)cc1 ZINC000833335723 601374928 /nfs/dbraw/zinc/37/49/28/601374928.db2.gz AYMXOBYFDSYFLC-UHFFFAOYSA-N -1 0 317.322 3.806 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1OC(F)F ZINC000830379039 601389465 /nfs/dbraw/zinc/38/94/65/601389465.db2.gz HIRJXZQTRDVPOR-UHFFFAOYSA-N -1 0 311.284 3.754 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C)c(OC)c1C ZINC000830378916 601390073 /nfs/dbraw/zinc/39/00/73/601390073.db2.gz BJOVXUCKUFJTAQ-UHFFFAOYSA-N -1 0 303.358 3.778 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1OC(C)C ZINC000830379223 601390430 /nfs/dbraw/zinc/39/04/30/601390430.db2.gz NTMCTRKXXPWBTJ-UHFFFAOYSA-N -1 0 303.358 3.940 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CC1CCCCCC1)c1cccs1 ZINC000238203752 601392540 /nfs/dbraw/zinc/39/25/40/601392540.db2.gz YCPGMCKZBXJLLI-ZDUSSCGKSA-N -1 0 309.431 3.741 20 0 DHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000767074259 601393338 /nfs/dbraw/zinc/39/33/38/601393338.db2.gz MCCNESDWKHQLND-XYEGEHMUSA-N 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C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000825798514 601440796 /nfs/dbraw/zinc/44/07/96/601440796.db2.gz NLABJHXGIUSJOX-HJWRWDBZSA-N -1 0 305.330 3.627 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C/c2cccc(F)c2)s1 ZINC000833096998 601442630 /nfs/dbraw/zinc/44/26/30/601442630.db2.gz YMEFPBOIXRAQGR-DUXPYHPUSA-N -1 0 305.330 3.627 20 0 DHADRM CN(C(=O)C/C=C\c1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000830471692 601445885 /nfs/dbraw/zinc/44/58/85/601445885.db2.gz IMCRIZNTUXQJRD-ALCCZGGFSA-N -1 0 313.328 3.590 20 0 DHADRM COc1ccc([C@H](C)CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000832221261 601447324 /nfs/dbraw/zinc/44/73/24/601447324.db2.gz XORYGTSCBYFYKA-SNVBAGLBSA-N -1 0 319.382 3.587 20 0 DHADRM COc1ccc([C@@H](C)CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000832221260 601447398 /nfs/dbraw/zinc/44/73/98/601447398.db2.gz XORYGTSCBYFYKA-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000237047659 601457432 /nfs/dbraw/zinc/45/74/32/601457432.db2.gz 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ZINC000825724734 601475511 /nfs/dbraw/zinc/47/55/11/601475511.db2.gz UNKRNSYLRCZHPD-YHYXMXQVSA-N -1 0 320.728 3.778 20 0 DHADRM CC(=O)[C@H](C)SCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000825813175 601476997 /nfs/dbraw/zinc/47/69/97/601476997.db2.gz HVSBYHPHRGWHRE-JTQLQIEISA-N -1 0 321.423 3.719 20 0 DHADRM CSc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000318765559 601484216 /nfs/dbraw/zinc/48/42/16/601484216.db2.gz QQNQKPOTARHXPU-UHFFFAOYSA-N -1 0 322.430 3.517 20 0 DHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000390538399 601484355 /nfs/dbraw/zinc/48/43/55/601484355.db2.gz GRYAQMGCNBGYJH-CXAGYDPISA-N -1 0 317.429 3.659 20 0 DHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])CC(C)(C)C ZINC000390538400 601484385 /nfs/dbraw/zinc/48/43/85/601484385.db2.gz GRYAQMGCNBGYJH-DYVFJYSZSA-N -1 0 317.429 3.659 20 0 DHADRM Cc1ccc(/C=C/CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237796644 601498488 /nfs/dbraw/zinc/49/84/88/601498488.db2.gz OYKBIDPUUXWMHP-NSCUHMNNSA-N -1 0 313.328 3.874 20 0 DHADRM C[C@@H]1CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000828200583 601504625 /nfs/dbraw/zinc/50/46/25/601504625.db2.gz HQTPKWSSLRPONG-CXFBHLDASA-N -1 0 321.804 3.718 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@H](C2CCCC2)C(F)(F)F)C1 ZINC000833190695 601505194 /nfs/dbraw/zinc/50/51/94/601505194.db2.gz YFDMKHYEWLMLTA-IJLUTSLNSA-N -1 0 322.323 3.542 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000829285111 601555980 /nfs/dbraw/zinc/55/59/80/601555980.db2.gz JOCOSZQNXVWQDW-NFOMZHRRSA-N -1 0 312.454 3.536 20 0 DHADRM Cc1cc(NC(=O)/C=C/SCc2ccco2)ccc1C(=O)[O-] ZINC000237726401 601571427 /nfs/dbraw/zinc/57/14/27/601571427.db2.gz NHMGMBSLXCKOBL-SOFGYWHQSA-N -1 0 317.366 3.672 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1cc(F)cc(F)c1 ZINC000827851207 601600305 /nfs/dbraw/zinc/60/03/05/601600305.db2.gz CJIJYLVREVZRFR-ZETCQYMHSA-N -1 0 312.293 3.643 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000237700863 601614603 /nfs/dbraw/zinc/61/46/03/601614603.db2.gz 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/nfs/dbraw/zinc/62/95/60/601629560.db2.gz VPOOPGBHALIXIP-UHFFFAOYSA-N -1 0 311.312 3.960 20 0 DHADRM CC[C@H](O)c1ccc(OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000829004882 601636025 /nfs/dbraw/zinc/63/60/25/601636025.db2.gz QYYVYOQZZWPOSS-AWEZNQCLSA-N -1 0 306.383 3.777 20 0 DHADRM Cc1cc(OCc2ncc(-c3ccccc3)o2)c(C(=O)[O-])s1 ZINC000315837347 601636161 /nfs/dbraw/zinc/63/61/61/601636161.db2.gz VMPAEQQPPSFACS-UHFFFAOYSA-N -1 0 315.350 3.989 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1ccccc1-n1ccnc1 ZINC000833031208 601636381 /nfs/dbraw/zinc/63/63/81/601636381.db2.gz HAZABIIQYXYQIB-UHFFFAOYSA-N -1 0 314.366 3.519 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000832917364 601636694 /nfs/dbraw/zinc/63/66/94/601636694.db2.gz XBEFVIIEDGNKGH-JKSUJKDBSA-N -1 0 309.365 3.511 20 0 DHADRM C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828528477 601641599 /nfs/dbraw/zinc/64/15/99/601641599.db2.gz VCRLIZSFSLMBAO-NSHDSACASA-N -1 0 317.335 3.782 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000191085928 601646136 /nfs/dbraw/zinc/64/61/36/601646136.db2.gz OTPBANVYRNZZST-NXEZZACHSA-N -1 0 317.838 3.655 20 0 DHADRM CCCCC[C@@H](NC(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000776664743 601647530 /nfs/dbraw/zinc/64/75/30/601647530.db2.gz YAMBTHITWWGZKC-CYBMUJFWSA-N -1 0 321.348 3.644 20 0 DHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC000832857493 601652406 /nfs/dbraw/zinc/65/24/06/601652406.db2.gz QCADCLKNXQCJGE-HOCLYGCPSA-N -1 0 309.365 3.511 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000833289816 601665361 /nfs/dbraw/zinc/66/53/61/601665361.db2.gz MILHIMROPCMQQR-UHFFFAOYSA-N -1 0 309.680 3.788 20 0 DHADRM CCCCC[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)C(C)C ZINC000829304782 601670669 /nfs/dbraw/zinc/67/06/69/601670669.db2.gz LMIDANCPYZXNLR-GFCCVEGCSA-N -1 0 312.435 3.561 20 0 DHADRM CC(C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000316572542 601685614 /nfs/dbraw/zinc/68/56/14/601685614.db2.gz HUMMBNIKYWUMAW-UHFFFAOYSA-N -1 0 304.390 3.577 20 0 DHADRM CCCCC[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)C(C)C ZINC000829304264 601689727 /nfs/dbraw/zinc/68/97/27/601689727.db2.gz BIIQVZSOLSPIST-INIZCTEOSA-N -1 0 311.466 3.942 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832871192 601692736 /nfs/dbraw/zinc/69/27/36/601692736.db2.gz QTFYGAWPGGAVNN-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C(C)(C)c1ccccc1 ZINC000833031854 601714983 /nfs/dbraw/zinc/71/49/83/601714983.db2.gz OYALCCUWKGFLDP-UHFFFAOYSA-N -1 0 318.394 3.776 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)CC(C)(C)C ZINC000827227424 601743916 /nfs/dbraw/zinc/74/39/16/601743916.db2.gz ZGQUTTKYAHMREU-XHDPSFHLSA-N -1 0 309.381 3.530 20 0 DHADRM O=C([O-])CCCc1csc(NC(=O)/C=C/C2CCCCC2)n1 ZINC000833228866 601748077 /nfs/dbraw/zinc/74/80/77/601748077.db2.gz DIKHVMOTJVJBEU-MDZDMXLPSA-N -1 0 322.430 3.625 20 0 DHADRM Cc1cc([C@H](C)NC(=O)c2ccccc2NC(=O)[O-])ccc1F ZINC000832871625 601748094 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CC[C@@H](CC1CCCC1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540782753 601817613 /nfs/dbraw/zinc/81/76/13/601817613.db2.gz UFVSTDWJXDSJSW-INIZCTEOSA-N -1 0 309.450 3.696 20 0 DHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(CCC(=O)[O-])CC1 ZINC000563273979 601840991 /nfs/dbraw/zinc/84/09/91/601840991.db2.gz BOAMVVKLMWRWED-GFCCVEGCSA-N -1 0 308.422 3.610 20 0 DHADRM CC(C)[C@H](OC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000826061471 601846931 /nfs/dbraw/zinc/84/69/31/601846931.db2.gz UBEYVQWOUTYNFI-WBMJQRKESA-N -1 0 300.354 3.596 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000832934639 601875997 /nfs/dbraw/zinc/87/59/97/601875997.db2.gz HYOGBZVTOYZTEH-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828065022 601896536 /nfs/dbraw/zinc/89/65/36/601896536.db2.gz ISGWEWKHKWCSCE-CYBMUJFWSA-N -1 0 305.378 3.867 20 0 DHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc2occc2s1 ZINC000833132026 601914513 /nfs/dbraw/zinc/91/45/13/601914513.db2.gz POFHFKSMXMPNKE-GHMZBOCLSA-N -1 0 321.398 3.648 20 0 DHADRM O=C([O-])Nc1ccccc1OCc1ccn(C2CCCC2)n1 ZINC000833288576 601956626 /nfs/dbraw/zinc/95/66/26/601956626.db2.gz WDCDIOGGDRTLRM-UHFFFAOYSA-N -1 0 301.346 3.667 20 0 DHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000683298485 601958901 /nfs/dbraw/zinc/95/89/01/601958901.db2.gz CUSOEDXSNHMQTP-LBPRGKRZSA-N -1 0 323.801 3.656 20 0 DHADRM Cc1ccc(OC(=O)/C=C\SCc2ccco2)c(C(=O)[O-])c1 ZINC000832953111 601975519 /nfs/dbraw/zinc/97/55/19/601975519.db2.gz MLOSCHRLKFTFCG-VURMDHGXSA-N -1 0 318.350 3.639 20 0 DHADRM Cc1cc(C)cc(NC(=S)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740066118 601978803 /nfs/dbraw/zinc/97/88/03/601978803.db2.gz JTXKLVZSDAOUFC-UHFFFAOYSA-N -1 0 316.386 3.597 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000087844840 601982687 /nfs/dbraw/zinc/98/26/87/601982687.db2.gz WYDZEKVPTXUBKT-UHFFFAOYSA-N -1 0 304.733 3.611 20 0 DHADRM CCCC1(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000829244788 601993952 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ZINC000832926537 602025787 /nfs/dbraw/zinc/02/57/87/602025787.db2.gz RLKOYZGLKDUVCN-HUUCEWRRSA-N -1 0 318.417 3.849 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000826831808 602031169 /nfs/dbraw/zinc/03/11/69/602031169.db2.gz HMOZGNDGQFLJDS-OAHLLOKOSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000826831806 602031190 /nfs/dbraw/zinc/03/11/90/602031190.db2.gz HMOZGNDGQFLJDS-HNNXBMFYSA-N -1 0 304.390 3.817 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000829257367 602033202 /nfs/dbraw/zinc/03/32/02/602033202.db2.gz YPSAUNPACBDIEQ-LLVKDONJSA-N -1 0 308.353 3.568 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000829257368 602033248 /nfs/dbraw/zinc/03/32/48/602033248.db2.gz YPSAUNPACBDIEQ-NSHDSACASA-N -1 0 308.353 3.568 20 0 DHADRM C[C@H]1C[C@@H]1COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828192215 602036137 /nfs/dbraw/zinc/03/61/37/602036137.db2.gz MELRDAYDQIYLPR-IONNQARKSA-N -1 0 317.263 3.608 20 0 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CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1 ZINC000739222346 602488254 /nfs/dbraw/zinc/48/82/54/602488254.db2.gz FJECIDLTYMLXFK-WDEREUQCSA-N -1 0 322.380 3.955 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000740709564 602499225 /nfs/dbraw/zinc/49/92/25/602499225.db2.gz LKJKXRIOVZYUKH-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000740711872 602499835 /nfs/dbraw/zinc/49/98/35/602499835.db2.gz OKCZGNXOVCKVAN-UHFFFAOYSA-N -1 0 313.338 3.639 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000740710108 602500400 /nfs/dbraw/zinc/50/04/00/602500400.db2.gz YJVLOPPAEHZAPG-UHFFFAOYSA-N -1 0 302.355 3.507 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000740709542 602501824 /nfs/dbraw/zinc/50/18/24/602501824.db2.gz KHIPVWSPYOOYQW-UHFFFAOYSA-N -1 0 321.336 3.506 20 0 DHADRM CCCCSCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739340838 602507291 /nfs/dbraw/zinc/50/72/91/602507291.db2.gz JRVKWOMWLATALK-UHFFFAOYSA-N -1 0 322.430 3.589 20 0 DHADRM CCC1(C)CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739262269 602510185 /nfs/dbraw/zinc/51/01/85/602510185.db2.gz CHQVMOBHIUDDEW-UHFFFAOYSA-N -1 0 308.353 3.568 20 0 DHADRM CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000739225361 602520560 /nfs/dbraw/zinc/52/05/60/602520560.db2.gz NUMDEIJYJJJKKM-OLZOCXBDSA-N -1 0 318.417 3.745 20 0 DHADRM CC[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739247743 602598289 /nfs/dbraw/zinc/59/82/89/602598289.db2.gz DZADCFOLPYQAIC-ZETCQYMHSA-N -1 0 319.283 3.715 20 0 DHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739098351 602600081 /nfs/dbraw/zinc/60/00/81/602600081.db2.gz KBZPLMAJUGOJOC-SMDDNHRTSA-N -1 0 305.378 3.819 20 0 DHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000739095387 602601234 /nfs/dbraw/zinc/60/12/34/602601234.db2.gz WGKMVANLDRZLGZ-RISCZKNCSA-N -1 0 305.378 3.819 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccnc2ccccc21 ZINC000740715616 602626098 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ZINC000739214711 602729740 /nfs/dbraw/zinc/72/97/40/602729740.db2.gz PJXGJZRPEKOUDQ-INIZCTEOSA-N -1 0 313.353 3.553 20 0 DHADRM Cc1ccc(C)c(N(C(=O)CCC(C)(C)NC(=O)[O-])C(C)C)c1 ZINC000740116677 602801730 /nfs/dbraw/zinc/80/17/30/602801730.db2.gz WUZQMULBPRFNGC-UHFFFAOYSA-N -1 0 320.433 3.871 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736881328 602809689 /nfs/dbraw/zinc/80/96/89/602809689.db2.gz YLTHFSNOMPQTLN-DOMZBBRYSA-N -1 0 304.390 3.817 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736879258 602809716 /nfs/dbraw/zinc/80/97/16/602809716.db2.gz CGQYVUGOGJZTIF-WFASDCNBSA-N -1 0 304.390 3.817 20 0 DHADRM CC(C)Oc1ccc(-c2csc(CN(C)C(=O)[O-])n2)cc1 ZINC000738865069 602810295 /nfs/dbraw/zinc/81/02/95/602810295.db2.gz XZMFHHVYZVOZFP-UHFFFAOYSA-N -1 0 306.387 3.707 20 0 DHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1F ZINC000740695222 602813262 /nfs/dbraw/zinc/81/32/62/602813262.db2.gz FKDQWPQTTXRUHI-NTZNESFSSA-N -1 0 320.364 3.614 20 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OLHPQGBHROYYFA-OAHLLOKOSA-N -1 0 324.380 3.545 20 0 DHADRM CC(C)CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(C)(C)C ZINC000824231076 602944907 /nfs/dbraw/zinc/94/49/07/602944907.db2.gz CUTLDLGIVANPSZ-AWEZNQCLSA-N -1 0 324.421 3.628 20 0 DHADRM CCCCCC[C@H](CC)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737815880 602956708 /nfs/dbraw/zinc/95/67/08/602956708.db2.gz CZFUDAMSDMKVGZ-AWEZNQCLSA-N -1 0 312.454 3.584 20 0 DHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737674191 602960634 /nfs/dbraw/zinc/96/06/34/602960634.db2.gz KMPUZDYUDGSZKP-LLVKDONJSA-N -1 0 317.316 3.700 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000738668425 602962940 /nfs/dbraw/zinc/96/29/40/602962940.db2.gz AUMJOTMUMPHOTB-UHFFFAOYSA-N -1 0 307.252 3.933 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000738665761 602969148 /nfs/dbraw/zinc/96/91/48/602969148.db2.gz CAATVHMBJHDWHF-UHFFFAOYSA-N -1 0 315.300 3.553 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cc2ccccc2s1 ZINC000738956161 602990067 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C[C@@H](Cc1ccccc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825022373 603039083 /nfs/dbraw/zinc/03/90/83/603039083.db2.gz DWQGXAVAGIFLIT-ZDUSSCGKSA-N -1 0 313.353 3.585 20 0 DHADRM C[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)C(C)(C)C ZINC000738917174 603039389 /nfs/dbraw/zinc/03/93/89/603039389.db2.gz CRPVFARLGJMGNZ-SECBINFHSA-N -1 0 311.357 3.719 20 0 DHADRM CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)[C@@H](C)C(C)C ZINC000739379239 603039495 /nfs/dbraw/zinc/03/94/95/603039495.db2.gz AVSVQRXLADMBGN-JTQLQIEISA-N -1 0 311.357 3.814 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000827914180 603040818 /nfs/dbraw/zinc/04/08/18/603040818.db2.gz GGESHKXRFKBCQE-UHFFFAOYSA-N -1 0 305.717 3.673 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2ccccc2Cl)cc1 ZINC000827908771 603040983 /nfs/dbraw/zinc/04/09/83/603040983.db2.gz RSJRUNSRJVAPJK-UHFFFAOYSA-N -1 0 319.744 3.602 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1F ZINC000823738588 603042146 /nfs/dbraw/zinc/04/21/46/603042146.db2.gz 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C[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@H]1C ZINC000739094926 603211547 /nfs/dbraw/zinc/21/15/47/603211547.db2.gz IXQRBWBSQQCISD-BFVZDQMLSA-N -1 0 324.808 3.984 20 0 DHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739089821 603220876 /nfs/dbraw/zinc/22/08/76/603220876.db2.gz FQEKTEDQAMMFDB-QWRGUYRKSA-N -1 0 308.353 3.566 20 0 DHADRM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1NC(=O)[O-] ZINC000830204883 603222834 /nfs/dbraw/zinc/22/28/34/603222834.db2.gz KCDZAHFZQJDPBZ-MPKXVKKWSA-N -1 0 304.390 3.639 20 0 DHADRM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739103236 603231796 /nfs/dbraw/zinc/23/17/96/603231796.db2.gz UTQYDOSZNFGZQR-QWRGUYRKSA-N -1 0 324.808 3.986 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1NC(=O)[O-] ZINC000830205840 603235345 /nfs/dbraw/zinc/23/53/45/603235345.db2.gz UGNGQFIBZRDIEE-ZDUSSCGKSA-N -1 0 312.369 3.884 20 0 DHADRM Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830211380 603237367 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ZINC000739251360 603353821 /nfs/dbraw/zinc/35/38/21/603353821.db2.gz BDZQRXZPYQMNLT-UHFFFAOYSA-N -1 0 321.421 3.744 20 0 DHADRM CCN(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)[C@@H](C)C(C)C ZINC000739380900 603359946 /nfs/dbraw/zinc/35/99/46/603359946.db2.gz LCMBNLAQSPXBAQ-ZDUSSCGKSA-N -1 0 321.421 3.695 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000825426718 603367641 /nfs/dbraw/zinc/36/76/41/603367641.db2.gz ISCNRKNMQVLESW-HUBLWGQQSA-N -1 0 319.405 3.715 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCC2CCCC2)cc1 ZINC000825434278 603368443 /nfs/dbraw/zinc/36/84/43/603368443.db2.gz PKBMFJZCZWHBFI-LBPRGKRZSA-N -1 0 319.405 3.717 20 0 DHADRM CCN(CC(C)C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827019943 603380620 /nfs/dbraw/zinc/38/06/20/603380620.db2.gz IFICWNRSPAZWQB-LBPRGKRZSA-N -1 0 307.394 3.525 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738825541 603386109 /nfs/dbraw/zinc/38/61/09/603386109.db2.gz XOMFQQRFITZNIF-UYSNPLJNSA-N -1 0 324.465 3.630 20 0 DHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736760875 603394498 /nfs/dbraw/zinc/39/44/98/603394498.db2.gz OBMQXTURWFHYDS-BBRMVZONSA-N -1 0 324.380 3.795 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830446617 603400154 /nfs/dbraw/zinc/40/01/54/603400154.db2.gz RYZBWHRQCUPACT-MRXNPFEDSA-N -1 0 324.380 3.811 20 0 DHADRM C[C@H](c1nc(-c2ccccc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645459 603404656 /nfs/dbraw/zinc/40/46/56/603404656.db2.gz OVTIOUURCHHZQY-WFASDCNBSA-N -1 0 323.352 3.849 20 0 DHADRM O=C([O-])NC[C@@H](c1nc(C2CCCCC2)no1)c1ccccc1 ZINC000832433005 603411973 /nfs/dbraw/zinc/41/19/73/603411973.db2.gz DRBIZDNWBLYQDG-CQSZACIVSA-N -1 0 315.373 3.517 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(-c3ccccc3Cl)no2)C1 ZINC000832334077 603421234 /nfs/dbraw/zinc/42/12/34/603421234.db2.gz VSBPOXWRAGPKEX-NXEZZACHSA-N -1 0 321.764 3.684 20 0 DHADRM CC(C)(C)CCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738696423 603431477 /nfs/dbraw/zinc/43/14/77/603431477.db2.gz GPVQNKHLKDIAOH-UHFFFAOYSA-N -1 0 304.390 3.734 20 0 DHADRM CCN(CC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000739397732 603433892 /nfs/dbraw/zinc/43/38/92/603433892.db2.gz PPHBGMMPUJEXDL-UHFFFAOYSA-N -1 0 324.446 3.575 20 0 DHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)C2CCCC2)c1 ZINC000829469182 603440541 /nfs/dbraw/zinc/44/05/41/603440541.db2.gz GIXXYQZYERAFQU-SNVBAGLBSA-N -1 0 306.362 3.550 20 0 DHADRM CC(C)N(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824323499 603535344 /nfs/dbraw/zinc/53/53/44/603535344.db2.gz DTOIXXMSUQGJDP-AAEUAGOBSA-N -1 0 324.808 3.518 20 0 DHADRM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1c(F)cccc1Cl ZINC000825503410 603559783 /nfs/dbraw/zinc/55/97/83/603559783.db2.gz SRHYORUDJLOIHX-SECBINFHSA-N -1 0 323.755 3.815 20 0 DHADRM CC(C)c1cc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)on1 ZINC000824453073 603644400 /nfs/dbraw/zinc/64/44/00/603644400.db2.gz GZMSHARXNJJQIU-UHFFFAOYSA-N -1 0 314.301 3.605 20 0 DHADRM CCN(CC1CCN(C(=O)CCCC2CCCC2)CC1)C(=O)[O-] ZINC000827059302 603755417 /nfs/dbraw/zinc/75/54/17/603755417.db2.gz KXDZYXKJZKTDHQ-UHFFFAOYSA-N -1 0 324.465 3.585 20 0 DHADRM CCC[C@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000826774382 603879513 /nfs/dbraw/zinc/87/95/13/603879513.db2.gz GDOUIXRNVKSOPX-ZDUSSCGKSA-N -1 0 304.390 3.737 20 0 DHADRM Cc1ccc(C(=O)N2Cc3ccccc3[C@H]2C)cc1NC(=O)[O-] ZINC000830205597 603926899 /nfs/dbraw/zinc/92/68/99/603926899.db2.gz PIMYHOQLPKLPHV-GFCCVEGCSA-N -1 0 310.353 3.802 20 0 DHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000825871754 603988825 /nfs/dbraw/zinc/98/88/25/603988825.db2.gz HCMYBYCSHGHSMG-VXGBXAGGSA-N -1 0 317.389 3.522 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000826774379 603992907 /nfs/dbraw/zinc/99/29/07/603992907.db2.gz GAXWZXAZTBHTQQ-NSHDSACASA-N -1 0 323.368 3.960 20 0 DHADRM Cc1cccc(C)c1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830481178 604017252 /nfs/dbraw/zinc/01/72/52/604017252.db2.gz YNBDPSIQWVCCJM-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000827495068 604061115 /nfs/dbraw/zinc/06/11/15/604061115.db2.gz GBEILRLDBSJYGK-UONOGXRCSA-N -1 0 322.430 3.571 20 0 DHADRM C[C@@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccs1 ZINC000825579286 604154373 /nfs/dbraw/zinc/15/43/73/604154373.db2.gz KWMKSDOLTYGBOQ-ODWCKFRGSA-N -1 0 323.414 3.663 20 0 DHADRM Cc1ccccc1OC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830585807 604214033 /nfs/dbraw/zinc/21/40/33/604214033.db2.gz FHXKPBVVNQLELO-BBRMVZONSA-N -1 0 313.353 3.545 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@H]12 ZINC000828286704 604280928 /nfs/dbraw/zinc/28/09/28/604280928.db2.gz YXNXHQPBPOHTIZ-AXAPSJFSSA-N -1 0 319.376 3.565 20 0 DHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825872472 604301993 /nfs/dbraw/zinc/30/19/93/604301993.db2.gz OQCPUNVMMQJVBV-CHWSQXEVSA-N -1 0 304.390 3.561 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(Cl)c2)c(F)c1 ZINC000127096328 604307420 /nfs/dbraw/zinc/30/74/20/604307420.db2.gz OTKNMKLOZSIHFY-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)N(C2CC2)C2CCCCC2)c1 ZINC000833317735 604321168 /nfs/dbraw/zinc/32/11/68/604321168.db2.gz DIFWMUUIPQIWSN-UHFFFAOYSA-N -1 0 320.364 3.853 20 0 DHADRM O=C([O-])c1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)o1 ZINC000833315223 604330685 /nfs/dbraw/zinc/33/06/85/604330685.db2.gz XLWYWBWRGIZVRN-CQSZACIVSA-N -1 0 313.353 3.514 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832935501 604340646 /nfs/dbraw/zinc/34/06/46/604340646.db2.gz QUADQWZIHLMEBQ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829210104 604342532 /nfs/dbraw/zinc/34/25/32/604342532.db2.gz ZOBBVDIWXKHBJQ-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)c1nccc(NCc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000824496583 604346813 /nfs/dbraw/zinc/34/68/13/604346813.db2.gz 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ZINC000823526837 604443504 /nfs/dbraw/zinc/44/35/04/604443504.db2.gz DRAQQZDOUPGFKU-KXXVWKPMSA-N -1 0 318.417 3.624 20 0 DHADRM O=C([O-])c1occc1CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000833345445 604454147 /nfs/dbraw/zinc/45/41/47/604454147.db2.gz BRQHCNVWDOEPLX-HNNXBMFYSA-N -1 0 321.323 3.983 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828709296 604474654 /nfs/dbraw/zinc/47/46/54/604474654.db2.gz QSVILLYLQCVLPA-YDHLFZDLSA-N -1 0 320.433 3.572 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833387391 604488834 /nfs/dbraw/zinc/48/88/34/604488834.db2.gz BBGRHAGNWNUTDG-UHFFFAOYSA-N -1 0 324.352 3.784 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832921755 604493159 /nfs/dbraw/zinc/49/31/59/604493159.db2.gz VIIAUSDLTBYKOE-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000833342923 604496100 /nfs/dbraw/zinc/49/61/00/604496100.db2.gz SPBGZQRFRXVZQA-SNVBAGLBSA-N -1 0 322.411 3.877 20 0 DHADRM CC(C)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827063203 604496505 /nfs/dbraw/zinc/49/65/05/604496505.db2.gz VUBDCTIKAZZIJL-UHFFFAOYSA-N -1 0 320.370 3.878 20 0 DHADRM O=C([O-])c1csc(NC(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000833151888 604500786 /nfs/dbraw/zinc/50/07/86/604500786.db2.gz UQSHBUPMVHBCRZ-GFCCVEGCSA-N -1 0 322.411 3.781 20 0 DHADRM O=C([O-])c1csc(NC(=O)N(Cc2cccs2)C2CC2)c1 ZINC000833342672 604508216 /nfs/dbraw/zinc/50/82/16/604508216.db2.gz NXROZINGYUTWMI-UHFFFAOYSA-N -1 0 322.411 3.704 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000833342715 604525459 /nfs/dbraw/zinc/52/54/59/604525459.db2.gz OZSHMULERLBVFF-LLVKDONJSA-N -1 0 322.411 3.877 20 0 DHADRM CCC[C@](C)(NC(=O)/C(C)=C\c1ccccc1Cl)C(=O)[O-] ZINC000761569629 604544069 /nfs/dbraw/zinc/54/40/69/604544069.db2.gz VHTUDFHKTFRGKQ-SNGWPZLWSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cc([C@H](C)OC(=O)Cc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000832928327 604549048 /nfs/dbraw/zinc/54/90/48/604549048.db2.gz CKFQDCBNSCNMGG-ZDUSSCGKSA-N -1 0 316.353 3.750 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)/C=C\c2ccsc2)oc1C(=O)[O-] ZINC000832877534 604551161 /nfs/dbraw/zinc/55/11/61/604551161.db2.gz UJILYHFUXPFCSL-UMBAGQNISA-N -1 0 306.339 3.665 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000833385639 604553973 /nfs/dbraw/zinc/55/39/73/604553973.db2.gz IIUPOJZQBFBVIT-KHPPLWFESA-N -1 0 321.804 3.503 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2c[nH]c3ccccc32)oc1C(=O)[O-] ZINC000832874874 604560588 /nfs/dbraw/zinc/56/05/88/604560588.db2.gz LRHBRUXHCLYZMC-JTQLQIEISA-N -1 0 313.309 3.686 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2ccc(C)nc2Cl)oc1C(=O)[O-] ZINC000832918600 604567437 /nfs/dbraw/zinc/56/74/37/604567437.db2.gz NIGNHAQRECPGMX-VIFPVBQESA-N -1 0 323.732 3.561 20 0 DHADRM CC(C)(C)/C=C/C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833422436 604573504 /nfs/dbraw/zinc/57/35/04/604573504.db2.gz HIUIWNKNJXYNOG-VQHVLOKHSA-N -1 0 307.415 3.794 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2c(O)cccc2Cl)oc1C(=O)[O-] ZINC000832870674 604575243 /nfs/dbraw/zinc/57/52/43/604575243.db2.gz BPIAQPWMAODEKA-QMMMGPOBSA-N -1 0 324.716 3.563 20 0 DHADRM C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@H]1C ZINC000147475608 604586972 /nfs/dbraw/zinc/58/69/72/604586972.db2.gz DPYUTYHRVMNPNT-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)OCc1ccoc1C(=O)[O-] ZINC000833385728 604588207 /nfs/dbraw/zinc/58/82/07/604588207.db2.gz IYBQETCYVBEUFI-NTMALXAHSA-N -1 0 320.728 3.778 20 0 DHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)c2ccsc2)oc1C(=O)[O-] ZINC000832874821 604589991 /nfs/dbraw/zinc/58/99/91/604589991.db2.gz LUGABYWIGVEFBI-UWVGGRQHSA-N -1 0 308.355 3.756 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000387269805 604614148 /nfs/dbraw/zinc/61/41/48/604614148.db2.gz LXCGGCATUJIUJB-ZDUSSCGKSA-N -1 0 304.390 3.589 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000826860771 604624471 /nfs/dbraw/zinc/62/44/71/604624471.db2.gz GQESFNZHXSZABI-INIZCTEOSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1Br ZINC000833525027 604625853 /nfs/dbraw/zinc/62/58/53/604625853.db2.gz MFIZFBUXQFWLEM-SECBINFHSA-N -1 0 321.174 3.715 20 0 DHADRM CN(C(=O)[O-])c1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000830519896 604644144 /nfs/dbraw/zinc/64/41/44/604644144.db2.gz XYBSDGOCUNITFC-UHFFFAOYSA-N -1 0 303.387 3.747 20 0 DHADRM CCS[C@H](C)c1noc(COc2ccc(NC(=O)[O-])cc2)n1 ZINC000827494488 604645702 /nfs/dbraw/zinc/64/57/02/604645702.db2.gz ATZNXSIMVWISBE-SECBINFHSA-N -1 0 323.374 3.553 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1sc(C)nc1C ZINC000568292698 604649657 /nfs/dbraw/zinc/64/96/57/604649657.db2.gz TZHAKBWWTVPAGH-OAHLLOKOSA-N -1 0 318.442 3.798 20 0 DHADRM CCc1ccccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000830276820 604660796 /nfs/dbraw/zinc/66/07/96/604660796.db2.gz RTSBDIAYKZFYQV-UHFFFAOYSA-N -1 0 315.344 3.510 20 0 DHADRM Cc1cc(F)cc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832887746 604665994 /nfs/dbraw/zinc/66/59/94/604665994.db2.gz CMXSCRSDRILJON-UHFFFAOYSA-N -1 0 317.320 3.546 20 0 DHADRM Cc1cc([C@@H](C)SC[C@H](O)c2ccccc2)oc1C(=O)[O-] ZINC000832876224 604714521 /nfs/dbraw/zinc/71/45/21/604714521.db2.gz WODLOXDEDVAPGD-YPMHNXCESA-N -1 0 306.383 3.814 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000833327503 604714548 /nfs/dbraw/zinc/71/45/48/604714548.db2.gz PHUWKEFUNBVDBU-KRWDZBQOSA-N -1 0 315.413 3.960 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000829347552 604716993 /nfs/dbraw/zinc/71/69/93/604716993.db2.gz KJWMCYJTICZTOU-OAHLLOKOSA-N -1 0 304.390 3.961 20 0 DHADRM CCC[C@](C)(NC(=O)/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC000761558212 604718997 /nfs/dbraw/zinc/71/89/97/604718997.db2.gz NWBBRXLFBCHOGW-SNGWPZLWSA-N -1 0 309.793 3.503 20 0 DHADRM C[C@H](CSCc1nc2cc(C(F)(F)F)ccc2o1)C(=O)[O-] ZINC000827580533 604746239 /nfs/dbraw/zinc/74/62/39/604746239.db2.gz DHFJVIWAALAEFU-SSDOTTSWSA-N -1 0 319.304 3.801 20 0 DHADRM O=C([O-])/C(=C\c1cccc(-c2cccnc2)c1)c1ccncc1 ZINC000833161880 604765302 /nfs/dbraw/zinc/76/53/02/604765302.db2.gz FXUNRMIHTRTOJP-PDGQHHTCSA-N -1 0 302.333 3.769 20 0 DHADRM CC(C)CSCCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833493046 604773788 /nfs/dbraw/zinc/77/37/88/604773788.db2.gz YXFIZAIKNZYVBS-HNNXBMFYSA-N -1 0 307.459 3.844 20 0 DHADRM CCC(CC)n1ccc(CNc2ccc(F)c(C(=O)[O-])c2)n1 ZINC000828869648 604813016 /nfs/dbraw/zinc/81/30/16/604813016.db2.gz DDSOMBQKBHQGBT-UHFFFAOYSA-N -1 0 305.353 3.694 20 0 DHADRM CCC(CC)n1ccc(CNc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000828870629 604814937 /nfs/dbraw/zinc/81/49/37/604814937.db2.gz SMBJXOTZCSFWCY-UHFFFAOYSA-N -1 0 301.390 3.863 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000168242390 604823138 /nfs/dbraw/zinc/82/31/38/604823138.db2.gz UDEYHTUECXKXNO-ZDUSSCGKSA-N -1 0 301.367 3.505 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000830049856 604824572 /nfs/dbraw/zinc/82/45/72/604824572.db2.gz CATYPUFHXYAHQP-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM Cc1c(NC(=O)N[C@@H]2CC23CCCCC3)cccc1C(=O)[O-] ZINC000386967279 604842010 /nfs/dbraw/zinc/84/20/10/604842010.db2.gz FHIOBEMAMOOXNF-CQSZACIVSA-N -1 0 302.374 3.538 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000827853875 604850202 /nfs/dbraw/zinc/85/02/02/604850202.db2.gz OPHMVPQDTGKXLB-VIFPVBQESA-N -1 0 306.264 3.581 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000833290349 604854294 /nfs/dbraw/zinc/85/42/94/604854294.db2.gz ZUIRMCZCILEAIY-CYBMUJFWSA-N -1 0 316.382 3.897 20 0 DHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000323335196 604854450 /nfs/dbraw/zinc/85/44/50/604854450.db2.gz WORZWRATDDZWBV-UHFFFAOYSA-N -1 0 320.364 3.734 20 0 DHADRM CC1(C)CCC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000669434391 604860383 /nfs/dbraw/zinc/86/03/83/604860383.db2.gz QOTQFUAAWANPIU-ZFWWWQNUSA-N -1 0 315.413 3.808 20 0 DHADRM C[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000431996435 604866432 /nfs/dbraw/zinc/86/64/32/604866432.db2.gz WTAOEYNFKKKATJ-CYBMUJFWSA-N -1 0 321.392 3.565 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)CCCCCCNC(=O)[O-])c1 ZINC000830323106 604870323 /nfs/dbraw/zinc/87/03/23/604870323.db2.gz CKQQHDJKECPRHX-UHFFFAOYSA-N -1 0 312.797 3.805 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000833388457 604870538 /nfs/dbraw/zinc/87/05/38/604870538.db2.gz VXHHOXIEZBFACA-UHFFFAOYSA-N -1 0 305.374 3.561 20 0 DHADRM COCc1cccc(CNc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833726001 604874163 /nfs/dbraw/zinc/87/41/63/604874163.db2.gz MOJCFVZYZZQLQC-UHFFFAOYSA-N -1 0 305.761 3.797 20 0 DHADRM C[C@@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccsc1 ZINC000833412044 604877256 /nfs/dbraw/zinc/87/72/56/604877256.db2.gz SDEGYHRKNWPIJM-SSDOTTSWSA-N -1 0 322.411 3.522 20 0 DHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1C ZINC000013224858 604880275 /nfs/dbraw/zinc/88/02/75/604880275.db2.gz GGZOOPLMRSTHJH-ZDUSSCGKSA-N -1 0 317.410 3.565 20 0 DHADRM CC(C)CCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833480545 604882401 /nfs/dbraw/zinc/88/24/01/604882401.db2.gz KCWQSTUTGMHXBG-CYBMUJFWSA-N -1 0 318.291 3.968 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C=C2CCC(C)(C)CC2)C1 ZINC000833557799 604885977 /nfs/dbraw/zinc/88/59/77/604885977.db2.gz LAEGUXSUPWJNFO-OAHLLOKOSA-N -1 0 321.461 3.862 20 0 DHADRM CC1=C(C(=O)[O-])C[C@H](CSC2=Nc3ccccc3CS2)O1 ZINC000833582448 604888479 /nfs/dbraw/zinc/88/84/79/604888479.db2.gz VNNBKGJOGYZZFB-LLVKDONJSA-N -1 0 321.423 3.802 20 0 DHADRM CC1=C(C(=O)[O-])C[C@@H](CSC2=Nc3ccccc3CS2)O1 ZINC000833582449 604888645 /nfs/dbraw/zinc/88/86/45/604888645.db2.gz VNNBKGJOGYZZFB-NSHDSACASA-N -1 0 321.423 3.802 20 0 DHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1 ZINC000237944783 604937657 /nfs/dbraw/zinc/93/76/57/604937657.db2.gz JACCTHLGXWRIDN-BUHFOSPRSA-N -1 0 323.392 3.593 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000829208036 604944624 /nfs/dbraw/zinc/94/46/24/604944624.db2.gz HXPAGAVOKHIAGP-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM C[C@]1(NC(=O)c2cc3sccc3s2)CCCC[C@H]1C(=O)[O-] ZINC000833568176 604962485 /nfs/dbraw/zinc/96/24/85/604962485.db2.gz UZQASEDYMZOLBL-VFZGTOFNSA-N -1 0 323.439 3.726 20 0 DHADRM CCC[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)C(C)C ZINC000833648883 605046637 /nfs/dbraw/zinc/04/66/37/605046637.db2.gz ZIMYPOGUCURYEN-LBPRGKRZSA-N -1 0 312.435 3.561 20 0 DHADRM CC1(C)CN([C@@H](C(=O)[O-])c2cccnc2)c2cccc(Cl)c21 ZINC000566075222 605048351 /nfs/dbraw/zinc/04/83/51/605048351.db2.gz ZEQSBXSHEGAZAO-OAHLLOKOSA-N -1 0 316.788 3.659 20 0 DHADRM COc1ccccc1CSCc1ccccc1CC(=O)[O-] ZINC000833736563 605058034 /nfs/dbraw/zinc/05/80/34/605058034.db2.gz PCSCCTMARWQOLU-UHFFFAOYSA-N -1 0 302.395 3.756 20 0 DHADRM CC1(C)CCC(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000833557423 605066967 /nfs/dbraw/zinc/06/69/67/605066967.db2.gz RYYWJNVFRRGMDF-UHFFFAOYSA-N -1 0 318.417 3.999 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000630295904 605067847 /nfs/dbraw/zinc/06/78/47/605067847.db2.gz WDTVAQKOJCSJPA-YCPHGPKFSA-N -1 0 317.429 3.671 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1cc(Cl)ccc1Cl ZINC000833455389 605095686 /nfs/dbraw/zinc/09/56/86/605095686.db2.gz PCDPEIFWSHCWDK-UHFFFAOYSA-N -1 0 305.157 3.790 20 0 DHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)C2)C1 ZINC000833611826 605096088 /nfs/dbraw/zinc/09/60/88/605096088.db2.gz QNBIVOLALBKKLW-APPDUMDISA-N -1 0 320.364 3.568 20 0 DHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833641782 605101787 /nfs/dbraw/zinc/10/17/87/605101787.db2.gz OOZOVSQNJPOHCG-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000315479055 605102849 /nfs/dbraw/zinc/10/28/49/605102849.db2.gz ZLVARLVNKSMVGA-UHFFFAOYSA-N -1 0 320.776 3.718 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cccc(C)c1Cl)C(=O)[O-] ZINC000384951148 605102945 /nfs/dbraw/zinc/10/29/45/605102945.db2.gz BELGBKZANATFTL-UHFFFAOYSA-N -1 0 312.797 3.661 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000833456704 605103775 /nfs/dbraw/zinc/10/37/75/605103775.db2.gz WFKSMAKAMVQOPW-UHFFFAOYSA-N -1 0 324.446 3.632 20 0 DHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000194402980 605104076 /nfs/dbraw/zinc/10/40/76/605104076.db2.gz BZYKROVCJBMMIW-UHFFFAOYSA-N -1 0 323.392 3.768 20 0 DHADRM Cc1ccc(F)c([C@@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833749826 605120825 /nfs/dbraw/zinc/12/08/25/605120825.db2.gz WWDRSAUZBDVAMD-PNESKVBLSA-N -1 0 308.349 3.629 20 0 DHADRM CC1(C)CN(C(=O)Nc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833560784 605121788 /nfs/dbraw/zinc/12/17/88/605121788.db2.gz VJDJPKXXPKFDTE-INIZCTEOSA-N -1 0 324.380 4.000 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833600172 605127009 /nfs/dbraw/zinc/12/70/09/605127009.db2.gz BMICTBTVHQNKQV-CKYFFXLPSA-N -1 0 308.403 3.631 20 0 DHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000040552388 605128653 /nfs/dbraw/zinc/12/86/53/605128653.db2.gz XOIXTDGBDPDLCZ-UWVGGRQHSA-N -1 0 310.781 3.548 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833601615 605136715 /nfs/dbraw/zinc/13/67/15/605136715.db2.gz MYHAYKADCMKXHN-JTNHKYCSSA-N -1 0 320.364 3.709 20 0 DHADRM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1cc(F)ccc1F ZINC000833643673 605145126 /nfs/dbraw/zinc/14/51/26/605145126.db2.gz DQBWILTWUFJUKD-AWEZNQCLSA-N -1 0 309.312 3.805 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1c(F)cccc1OC ZINC000833680238 605145987 /nfs/dbraw/zinc/14/59/87/605145987.db2.gz GDIYODDKHRAQKZ-JTQLQIEISA-N -1 0 321.348 3.539 20 0 DHADRM CC1(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC000833564027 605147421 /nfs/dbraw/zinc/14/74/21/605147421.db2.gz KPTURARKAQFIAB-UHFFFAOYSA-N -1 0 311.328 3.962 20 0 DHADRM CC(C)(C)C[C@H](Sc1n[nH]c(-c2ccccc2F)n1)C(=O)[O-] ZINC000833430351 605148142 /nfs/dbraw/zinc/14/81/42/605148142.db2.gz VZCAJKLZPGSAEA-NSHDSACASA-N -1 0 323.393 3.592 20 0 DHADRM Cc1ccccc1-n1cnnc1S[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000833753594 605148674 /nfs/dbraw/zinc/14/86/74/605148674.db2.gz XCYJYOOXGRJBBK-ZDUSSCGKSA-N -1 0 319.430 3.557 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)C1 ZINC000833607040 605150779 /nfs/dbraw/zinc/15/07/79/605150779.db2.gz YHNOAJFPJDZZIK-DTWKUNHWSA-N -1 0 310.419 3.514 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833606811 605155816 /nfs/dbraw/zinc/15/58/16/605155816.db2.gz WGQVSDONMSQAMG-NWDGAFQWSA-N -1 0 307.415 3.628 20 0 DHADRM C/C(=C/C(=O)Nc1scc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC000833385287 605156422 /nfs/dbraw/zinc/15/64/22/605156422.db2.gz VCRAVTQHUFGFBF-CLFYSBASSA-N -1 0 319.357 3.936 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833447142 605181349 /nfs/dbraw/zinc/18/13/49/605181349.db2.gz NXPBFGZYHFDZFR-UHFFFAOYSA-N -1 0 313.394 3.774 20 0 DHADRM CC(C)[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000220457667 605197079 /nfs/dbraw/zinc/19/70/79/605197079.db2.gz PTENFZTXCYMRKI-INIZCTEOSA-N -1 0 312.369 3.644 20 0 DHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc(F)cn1 ZINC000833525464 605219117 /nfs/dbraw/zinc/21/91/17/605219117.db2.gz PUKZVWNKMBZPEP-LLVKDONJSA-N -1 0 303.337 3.504 20 0 DHADRM CCO[C@H]1C[C@@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCC2 ZINC000833660533 605219809 /nfs/dbraw/zinc/21/98/09/605219809.db2.gz PJIVUELPJUONOE-CVEARBPZSA-N -1 0 318.417 3.556 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(F)c(Cl)cc1F)C(=O)[O-] ZINC000833426633 605231939 /nfs/dbraw/zinc/23/19/39/605231939.db2.gz HGCAGLBNFPKCHI-LLVKDONJSA-N -1 0 320.719 3.664 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000833428990 605232606 /nfs/dbraw/zinc/23/26/06/605232606.db2.gz DRPYOCURGIBAAK-NSHDSACASA-N -1 0 302.729 3.525 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC000833429885 605237074 /nfs/dbraw/zinc/23/70/74/605237074.db2.gz PVOSDNUATZXPRL-LLVKDONJSA-N -1 0 300.301 3.670 20 0 DHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2ncc(C(C)C)n2C(C)C)O1 ZINC000833581091 605237237 /nfs/dbraw/zinc/23/72/37/605237237.db2.gz KZNHXPVKVPTGKP-LBPRGKRZSA-N -1 0 324.446 3.827 20 0 DHADRM CSc1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1 ZINC000829771840 605237576 /nfs/dbraw/zinc/23/75/76/605237576.db2.gz GYNLLYVCGUNTJK-UHFFFAOYSA-N -1 0 316.382 3.532 20 0 DHADRM CN(C)c1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1Cl ZINC000828072778 605247701 /nfs/dbraw/zinc/24/77/01/605247701.db2.gz CHVBPQMJSWQUSH-UHFFFAOYSA-N -1 0 320.780 3.503 20 0 DHADRM Cc1csc(-c2ccc(NC3CCN(C(=O)[O-])CC3)cc2)n1 ZINC000830655204 605251785 /nfs/dbraw/zinc/25/17/85/605251785.db2.gz KSLBHSDRTSMPPE-UHFFFAOYSA-N -1 0 317.414 3.673 20 0 DHADRM CO[C@H](C)c1cccc(NCCC2CCN(C(=O)[O-])CC2)c1 ZINC000828829851 605252948 /nfs/dbraw/zinc/25/29/48/605252948.db2.gz HBPMBPHYQCVGIW-CYBMUJFWSA-N -1 0 306.406 3.586 20 0 DHADRM CO[C@@H](C)c1cccc(NCCC2CCN(C(=O)[O-])CC2)c1 ZINC000828829852 605253106 /nfs/dbraw/zinc/25/31/06/605253106.db2.gz HBPMBPHYQCVGIW-ZDUSSCGKSA-N -1 0 306.406 3.586 20 0 DHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055149443 605254609 /nfs/dbraw/zinc/25/46/09/605254609.db2.gz KIQZCTLMFFEYQK-ZDUSSCGKSA-N -1 0 321.417 3.542 20 0 DHADRM Cc1cnc(-c2cccc(NCc3ccc(NC(=O)[O-])nc3)c2)o1 ZINC000830621012 605255743 /nfs/dbraw/zinc/25/57/43/605255743.db2.gz WEEWYIFFXYRBRI-UHFFFAOYSA-N -1 0 324.340 3.747 20 0 DHADRM CC1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833560274 605280685 /nfs/dbraw/zinc/28/06/85/605280685.db2.gz KOFWTPQALPLFDU-UHFFFAOYSA-N -1 0 309.341 3.570 20 0 DHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833609121 605281926 /nfs/dbraw/zinc/28/19/26/605281926.db2.gz QNRZTEAEJIZHEE-JQWIXIFHSA-N -1 0 323.368 3.958 20 0 DHADRM C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)[C@H]1C ZINC000833614550 605281958 /nfs/dbraw/zinc/28/19/58/605281958.db2.gz OVOBBCWOMIDRMQ-UWVGGRQHSA-N -1 0 309.341 3.568 20 0 DHADRM Cc1sc(NC(=O)c2ccnc(C3CC3)c2)c(C(=O)[O-])c1C ZINC000833757965 605292794 /nfs/dbraw/zinc/29/27/94/605292794.db2.gz FXENBAAMNWZYCK-UHFFFAOYSA-N -1 0 316.382 3.588 20 0 DHADRM Cc1cc(F)ccc1-c1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000830068423 605299689 /nfs/dbraw/zinc/29/96/89/605299689.db2.gz MDLDDYSEOUTFDK-LBPRGKRZSA-N -1 0 307.325 3.539 20 0 DHADRM C[C@@H]1CSC(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)=N1 ZINC000833632502 605338654 /nfs/dbraw/zinc/33/86/54/605338654.db2.gz XUXREHDFWQXCAQ-LDWIPMOCSA-N -1 0 319.810 3.829 20 0 DHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833608610 605344284 /nfs/dbraw/zinc/34/42/84/605344284.db2.gz NNZFDSPGQITRLG-IUODEOHRSA-N -1 0 321.442 3.769 20 0 DHADRM CC[C@@H]1CN(C(=O)CCCC2CCCCC2)CC[C@H]1NC(=O)[O-] ZINC000833847058 605344302 /nfs/dbraw/zinc/34/43/02/605344302.db2.gz GXYXKXBHAKFBHV-HZPDHXFCSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000799244013 605417754 /nfs/dbraw/zinc/41/77/54/605417754.db2.gz ZXTBMICWGXXLDJ-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833385142 605420430 /nfs/dbraw/zinc/42/04/30/605420430.db2.gz TYRSPSHALYPJNW-QINSGFPZSA-N -1 0 323.392 3.755 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2cncc3ccccc32)cc1 ZINC000834255237 605545241 /nfs/dbraw/zinc/54/52/41/605545241.db2.gz FVGUTWWPEFQQNG-UHFFFAOYSA-N -1 0 307.309 3.577 20 0 DHADRM Cc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)ccc1NC(=O)[O-] ZINC000833899827 605572655 /nfs/dbraw/zinc/57/26/55/605572655.db2.gz XHIBGAQFRIKTKY-NSHDSACASA-N -1 0 304.390 3.593 20 0 DHADRM C[C@@H]1CC(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H](C)C1 ZINC000833592880 605581162 /nfs/dbraw/zinc/58/11/62/605581162.db2.gz FCFBJHPXLONWMG-IUCAKERBSA-N -1 0 311.328 3.674 20 0 DHADRM Cc1cc(C(=O)Nc2ccc3ccccc3n2)ccc1NC(=O)[O-] ZINC000829965751 605581139 /nfs/dbraw/zinc/58/11/39/605581139.db2.gz HGXGEFCGISVLSU-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827193362 605581630 /nfs/dbraw/zinc/58/16/30/605581630.db2.gz KLTFWAKJIQDGEI-UHFFFAOYSA-N -1 0 318.398 3.809 20 0 DHADRM Cc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829946917 605588214 /nfs/dbraw/zinc/58/82/14/605588214.db2.gz STUGCOBPAZUYDW-UHFFFAOYSA-N -1 0 324.380 3.547 20 0 DHADRM Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1NC(=O)[O-] ZINC000829914199 605591404 /nfs/dbraw/zinc/59/14/04/605591404.db2.gz BHHHEQBIDHETMQ-KRWDZBQOSA-N -1 0 324.380 3.844 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)C[C@@H](C)C1 ZINC000833594519 605624449 /nfs/dbraw/zinc/62/44/49/605624449.db2.gz NLHWQKVKDMPQRB-GDNZZTSVSA-N -1 0 324.446 3.561 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830255351 605637505 /nfs/dbraw/zinc/63/75/05/605637505.db2.gz BOFLPCQLGGUEEN-LLVKDONJSA-N -1 0 318.398 3.946 20 0 DHADRM Cc1cc(C(=O)NCCCc2cccs2)ccc1NC(=O)[O-] ZINC000833898191 605644214 /nfs/dbraw/zinc/64/42/14/605644214.db2.gz KVLUXZPKNLAJRE-UHFFFAOYSA-N -1 0 318.398 3.509 20 0 DHADRM Cc1cccc2c1CCN2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829933870 605655711 /nfs/dbraw/zinc/65/57/11/605655711.db2.gz CGOFGDOHGGJANM-UHFFFAOYSA-N -1 0 310.353 3.596 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)NCCCc2cccs2)cc1 ZINC000834263860 605658308 /nfs/dbraw/zinc/65/83/08/605658308.db2.gz 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/nfs/dbraw/zinc/78/82/37/605788237.db2.gz LTIUBCSWLGJHPX-AWEZNQCLSA-N -1 0 301.386 3.562 20 0 DHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC000833536151 605795472 /nfs/dbraw/zinc/79/54/72/605795472.db2.gz VOZRAIPUBFMYHA-SECBINFHSA-N -1 0 317.366 3.637 20 0 DHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc3ncccc3c2)c1 ZINC000834266573 605804258 /nfs/dbraw/zinc/80/42/58/605804258.db2.gz OUBLYWCDNKIYMN-UHFFFAOYSA-N -1 0 321.336 3.506 20 0 DHADRM Cc1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829939897 605809143 /nfs/dbraw/zinc/80/91/43/605809143.db2.gz IPLJMNMRBATZHA-UHFFFAOYSA-N -1 0 324.380 3.761 20 0 DHADRM CC(C)(NCc1cc(C(=O)[O-])ccc1Cl)c1nccs1 ZINC000833460809 605839656 /nfs/dbraw/zinc/83/96/56/605839656.db2.gz KAWAXMNWCBCPTR-UHFFFAOYSA-N -1 0 310.806 3.520 20 0 DHADRM Cc1cc(C(=O)Nc2cccc3cnccc32)ccc1NC(=O)[O-] ZINC000829966012 605876647 /nfs/dbraw/zinc/87/66/47/605876647.db2.gz OREVRKHFNAIQSF-UHFFFAOYSA-N -1 0 321.336 3.885 20 0 DHADRM CCC1(C)CCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1 ZINC000826644318 605894685 /nfs/dbraw/zinc/89/46/85/605894685.db2.gz HUXFEZSHZBDWLW-UHFFFAOYSA-N -1 0 304.390 3.737 20 0 DHADRM C[C@@H](OC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccco1 ZINC000833895471 605955415 /nfs/dbraw/zinc/95/54/15/605955415.db2.gz DNYDUDHIRQJOQO-OCCSQVGLSA-N -1 0 317.341 3.673 20 0 DHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc2c(s1)CCC2 ZINC000833906092 606005282 /nfs/dbraw/zinc/00/52/82/606005282.db2.gz JDDWBZIBQISONQ-UHFFFAOYSA-N -1 0 316.382 3.887 20 0 DHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000833906742 606005793 /nfs/dbraw/zinc/00/57/93/606005793.db2.gz ZLQRORJGRBLVIT-UHFFFAOYSA-N -1 0 313.357 3.856 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(Cl)cc1F ZINC000834274649 606041488 /nfs/dbraw/zinc/04/14/88/606041488.db2.gz VKKFZCZWTPSLOQ-UHFFFAOYSA-N -1 0 322.723 3.750 20 0 DHADRM O=C([O-])N1CCC[C@H](Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000834102700 606051740 /nfs/dbraw/zinc/05/17/40/606051740.db2.gz DNENSTSTGKLRKI-LBPRGKRZSA-N -1 0 315.373 3.650 20 0 DHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC2(CCCC2)CC1 ZINC000834270934 606064425 /nfs/dbraw/zinc/06/44/25/606064425.db2.gz OFUJCGGJUCIFPS-UHFFFAOYSA-N -1 0 316.401 3.502 20 0 DHADRM O=C(C=C1CCCCC1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762205132 939070918 /nfs/dbraw/zinc/07/09/18/939070918.db2.gz DSLZALUMASMAAU-LJQANCHMSA-N -1 0 323.392 3.972 20 0 DHADRM CCC[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000780368340 939111504 /nfs/dbraw/zinc/11/15/04/939111504.db2.gz ADABDNKLWFUFND-OAHLLOKOSA-N -1 0 318.417 3.615 20 0 DHADRM CCCCc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000316129483 939121470 /nfs/dbraw/zinc/12/14/70/939121470.db2.gz PGZJIICYTLWBSE-UHFFFAOYSA-N -1 0 304.390 3.548 20 0 DHADRM CCCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000322798189 939125033 /nfs/dbraw/zinc/12/50/33/939125033.db2.gz SMCQLLWGQIQEHC-KRWDZBQOSA-N -1 0 311.381 3.585 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000322753226 939125150 /nfs/dbraw/zinc/12/51/50/939125150.db2.gz DTYRGOIQLWJQSV-LLLHUVSDSA-N -1 0 315.413 3.535 20 0 DHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000386232150 939132536 /nfs/dbraw/zinc/13/25/36/939132536.db2.gz MPZZISYDVYTACM-CYBMUJFWSA-N -1 0 320.295 3.572 20 0 DHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 ZINC000797737585 939200355 /nfs/dbraw/zinc/20/03/55/939200355.db2.gz DWWOXPPNNASSHJ-INIZCTEOSA-N -1 0 324.336 3.571 20 0 DHADRM O=C([O-])C1(NC(=O)c2sccc2C(F)F)CCCCCC1 ZINC000872719179 939262627 /nfs/dbraw/zinc/26/26/27/939262627.db2.gz ZXNQHLCHVVUWQW-UHFFFAOYSA-N -1 0 317.357 3.593 20 0 DHADRM C[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000569021991 939372192 /nfs/dbraw/zinc/37/21/92/939372192.db2.gz QEUNXHJWSFJBRR-BLLLJJGKSA-N -1 0 317.410 3.574 20 0 DHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000578828687 939757315 /nfs/dbraw/zinc/75/73/15/939757315.db2.gz CBQXIKPOPAYIMI-AWEZNQCLSA-N -1 0 318.398 3.621 20 0 DHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000595994409 939802617 /nfs/dbraw/zinc/80/26/17/939802617.db2.gz JZDNTRCLYPNZCW-OAHLLOKOSA-N -1 0 321.442 3.686 20 0 DHADRM CC1(C)CCC[C@@](NC(=O)c2ccsc2Cl)(C(=O)[O-])C1 ZINC000630247939 939820319 /nfs/dbraw/zinc/82/03/19/939820319.db2.gz LVHLTMCRDFSIJN-AWEZNQCLSA-N -1 0 315.822 3.555 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)s1 ZINC000648342169 939832033 /nfs/dbraw/zinc/83/20/33/939832033.db2.gz MYWIFARGWIAMQT-OAHLLOKOSA-N -1 0 317.410 3.537 20 0 DHADRM C[C@](NC(=O)c1cc2cc(Cl)ccc2s1)(C(=O)[O-])C1CC1 ZINC000659137270 939847621 /nfs/dbraw/zinc/84/76/21/939847621.db2.gz INLFANZCYBLXBZ-OAHLLOKOSA-N -1 0 323.801 3.538 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C2CCC3(CC3)CC2)C(=O)[O-])c1C ZINC000659157195 939848142 /nfs/dbraw/zinc/84/81/42/939848142.db2.gz OKCXOEPEULCPOL-MRXNPFEDSA-N -1 0 315.413 3.516 20 0 DHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cc2ccccc2o1 ZINC000663070362 939852401 /nfs/dbraw/zinc/85/24/01/939852401.db2.gz DVLOGAGDZQYABL-BDJLRTHQSA-N -1 0 315.369 3.501 20 0 DHADRM 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CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589586904 949060251 /nfs/dbraw/zinc/06/02/51/949060251.db2.gz ZFNWCKOTFWYIAO-BRWVUGGUSA-N -1 0 317.429 3.733 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C2CCC2)C1 ZINC001589605233 949246034 /nfs/dbraw/zinc/24/60/34/949246034.db2.gz OYFZWSKCZFCZCN-LJQANCHMSA-N -1 0 315.413 3.671 20 0 DHADRM CCC1(CC)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589612432 949333403 /nfs/dbraw/zinc/33/34/03/949333403.db2.gz LRHYQBLWWRHEML-UHFFFAOYSA-N -1 0 304.390 3.500 20 0 DHADRM O=C([O-])c1ccc(CNc2cccc(-c3ccon3)c2)s1 ZINC001595232610 949363424 /nfs/dbraw/zinc/36/34/24/949363424.db2.gz MDOIRHSTZXWAPM-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM CCC1(CNC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)CCCCC1 ZINC001589615628 949366249 /nfs/dbraw/zinc/36/62/49/949366249.db2.gz QTZFMNKRQXHNIZ-SFHVURJKSA-N -1 0 324.465 3.633 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cc(Cl)cs1 ZINC001595238197 949426812 /nfs/dbraw/zinc/42/68/12/949426812.db2.gz KRQBPBNHHLFGSR-UHFFFAOYSA-N -1 0 321.785 3.693 20 0 DHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589622293 949430036 /nfs/dbraw/zinc/43/00/36/949430036.db2.gz ZMJQRLVXLIXDSW-BBRMVZONSA-N -1 0 319.401 3.617 20 0 DHADRM O=C([O-])c1cccc(C(=O)N(CC2CC2)c2cccc(F)c2)c1 ZINC001595238825 949433542 /nfs/dbraw/zinc/43/35/42/949433542.db2.gz FYBUIELSLYETEE-UHFFFAOYSA-N -1 0 313.328 3.581 20 0 DHADRM O=C([O-])c1cccc(CN2CCCCC[C@H]2C(F)(F)F)c1 ZINC001595242090 949474435 /nfs/dbraw/zinc/47/44/35/949474435.db2.gz DVYNOGDSMPFNDD-ZDUSSCGKSA-N -1 0 301.308 3.692 20 0 DHADRM O=C([O-])c1cccc(CSc2ncnc3ccsc32)c1 ZINC001595248382 949522358 /nfs/dbraw/zinc/52/23/58/949522358.db2.gz RIPJLEIWQJBVEQ-UHFFFAOYSA-N -1 0 302.380 3.682 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001595254886 949580280 /nfs/dbraw/zinc/58/02/80/949580280.db2.gz HRMHLQGNEDENQZ-RBSFLKMASA-N -1 0 315.413 3.608 20 0 DHADRM CCCCC1CCC(c2cc(NC(=O)[C@H](C)C(=O)[O-])n[nH]2)CC1 ZINC001589639608 949665323 /nfs/dbraw/zinc/66/53/23/949665323.db2.gz FFDOKPVKTSSUAN-HIFPTAJRSA-N -1 0 321.421 3.533 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589644862 949713660 /nfs/dbraw/zinc/71/36/60/949713660.db2.gz CPBJEVYXSAXTJH-WFASDCNBSA-N -1 0 309.381 3.674 20 0 DHADRM CCCCc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001589655511 949812564 /nfs/dbraw/zinc/81/25/64/949812564.db2.gz AVSWVHORVFGBLS-UHFFFAOYSA-N -1 0 311.381 3.657 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)cn1 ZINC000261840397 950049822 /nfs/dbraw/zinc/04/98/22/950049822.db2.gz KTYAEUABPFUBKW-KRWDZBQOSA-N -1 0 324.380 3.537 20 0 DHADRM CCCc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)ccc1Cl ZINC001589689225 950105046 /nfs/dbraw/zinc/10/50/46/950105046.db2.gz WLWYZTQDDRQSRU-UHFFFAOYSA-N -1 0 318.760 3.638 20 0 DHADRM CC(C)(C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000263011637 950213608 /nfs/dbraw/zinc/21/36/08/950213608.db2.gz XHRUFZRXIFEAJZ-JKSUJKDBSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(C)c1Cl ZINC000263133778 950284340 /nfs/dbraw/zinc/28/43/40/950284340.db2.gz NKRBKLGQNLTSBT-SKDRFNHKSA-N -1 0 324.808 3.531 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)CCCCC(=O)[O-])c1C ZINC000263288729 950350316 /nfs/dbraw/zinc/35/03/16/950350316.db2.gz LCUDCFMAOGCGEQ-INIZCTEOSA-N -1 0 303.402 3.612 20 0 DHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cccc3c2CCCC3)co1 ZINC001594970632 950845079 /nfs/dbraw/zinc/84/50/79/950845079.db2.gz JZRISHYJDCCDGD-CMDGGOBGSA-N -1 0 311.337 3.509 20 0 DHADRM CSc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000315726503 950855127 /nfs/dbraw/zinc/85/51/27/950855127.db2.gz FIYVDRCWDCTGMY-CYBMUJFWSA-N -1 0 322.430 3.660 20 0 DHADRM CCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000317379868 950905091 /nfs/dbraw/zinc/90/50/91/950905091.db2.gz IJPKWBPPTBJHEQ-CYBMUJFWSA-N -1 0 315.394 3.529 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001602854307 971702273 /nfs/dbraw/zinc/70/22/73/971702273.db2.gz 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/nfs/dbraw/zinc/38/58/84/951385884.db2.gz OFVKZFWZCDTNMM-HIFRSBDPSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001595034754 951394199 /nfs/dbraw/zinc/39/41/99/951394199.db2.gz MCFBBRZCRAOGBX-UHFFFAOYSA-N -1 0 322.361 3.533 20 0 DHADRM O=C([O-])CCc1cccc(NC(=S)Nc2ccc(F)cc2)c1 ZINC001595066660 951554900 /nfs/dbraw/zinc/55/49/00/951554900.db2.gz SUVGXIHDMNICAA-UHFFFAOYSA-N -1 0 318.373 3.652 20 0 DHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001595199919 952308553 /nfs/dbraw/zinc/30/85/53/952308553.db2.gz CCEGOTGQXAAPQX-CQSZACIVSA-N -1 0 324.336 3.667 20 0 DHADRM CC(C)(C)Oc1cccc(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001602921419 971878916 /nfs/dbraw/zinc/87/89/16/971878916.db2.gz ODOYCRNCLFNEDA-AWEZNQCLSA-N -1 0 322.401 3.654 20 0 DHADRM CC(C)(CC(=O)[O-])NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001602931645 971898076 /nfs/dbraw/zinc/89/80/76/971898076.db2.gz JBHKYBXCZYDYMH-UHFFFAOYSA-N -1 0 317.429 3.646 20 0 DHADRM CCSc1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001593598436 953387881 /nfs/dbraw/zinc/38/78/81/953387881.db2.gz GZRPYHVDJCWYQE-VQHVLOKHSA-N -1 0 317.366 3.742 20 0 DHADRM CCSc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001593598414 953388405 /nfs/dbraw/zinc/38/84/05/953388405.db2.gz GLHPIJXTDUHXFW-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CC[C@@H](NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001593599684 953401320 /nfs/dbraw/zinc/40/13/20/953401320.db2.gz GFKXKCOKEKCZOS-ARFHVFGLSA-N -1 0 317.429 3.576 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NCC[C@H]2CCc3ccccc32)c1 ZINC001594754639 953464097 /nfs/dbraw/zinc/46/40/97/953464097.db2.gz XZODYFHAEIMCFG-CQSZACIVSA-N -1 0 324.380 3.626 20 0 DHADRM CCc1ccc(CC)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000540774369 953575644 /nfs/dbraw/zinc/57/56/44/953575644.db2.gz LHGOEMJICQHCHX-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM C[C@@H]1C[C@@H](CCNC(=O)C2(CC(=O)[O-])CCC2)CC(C)(C)C1 ZINC001589286389 953576893 /nfs/dbraw/zinc/57/68/93/953576893.db2.gz 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ZINC001593642344 953658737 /nfs/dbraw/zinc/65/87/37/953658737.db2.gz GUORQJSXVWCVPX-DLBZAZTESA-N -1 0 323.392 3.618 20 0 DHADRM CCc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593643647 953667007 /nfs/dbraw/zinc/66/70/07/953667007.db2.gz GTNZHRSDLQHIMQ-RDJZCZTQSA-N -1 0 324.380 3.684 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C/C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)C1(C)C ZINC001589299661 953683632 /nfs/dbraw/zinc/68/36/32/953683632.db2.gz YPVYYJJWJVDVLZ-VXUDTDLPSA-N -1 0 321.461 3.717 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC000576330673 953687942 /nfs/dbraw/zinc/68/79/42/953687942.db2.gz HKGSNLJFFGYDQW-GFCCVEGCSA-N -1 0 324.808 3.675 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)nc1 ZINC000583514269 953729363 /nfs/dbraw/zinc/72/93/63/953729363.db2.gz PZBKAUDAWRANBL-QGZVFWFLSA-N -1 0 324.380 3.537 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(F)s2)c1Cl ZINC001594804574 953772527 /nfs/dbraw/zinc/77/25/27/953772527.db2.gz ZVMNZNGOEXXVIW-UHFFFAOYSA-N -1 0 317.700 3.630 20 0 DHADRM C[C@H]1CCC[C@@H](C2CN(C(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC001589315100 953827315 /nfs/dbraw/zinc/82/73/15/953827315.db2.gz WOXKBCQFISCRPW-QWHCGFSZSA-N -1 0 316.401 3.675 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589319024 953841561 /nfs/dbraw/zinc/84/15/61/953841561.db2.gz DPVFXQUSUHDVKC-UKRRQHHQSA-N -1 0 318.417 3.652 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(C3=CCCC3)cc2)ccn1 ZINC001594827290 953946402 /nfs/dbraw/zinc/94/64/02/953946402.db2.gz RVCSQBAWLFUENJ-UHFFFAOYSA-N -1 0 308.337 3.599 20 0 DHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC(C)(C)CC(C)(C)C1 ZINC001593682299 953968035 /nfs/dbraw/zinc/96/80/35/953968035.db2.gz FCAYCZIEOYMEMY-QWHCGFSZSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 ZINC000647736542 953972687 /nfs/dbraw/zinc/97/26/87/953972687.db2.gz QCRRYOMBSJKOQK-AWEZNQCLSA-N -1 0 303.383 3.710 20 0 DHADRM CCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)sc1C ZINC000044750029 1032062196 /nfs/dbraw/zinc/06/21/96/1032062196.db2.gz PQOBEUNPIWSHQH-UHFFFAOYSA-N -1 0 303.383 3.878 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C\C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1(C)C ZINC001589338102 954011804 /nfs/dbraw/zinc/01/18/04/954011804.db2.gz PJHNLQNJJOBPKN-BTKFANPLSA-N -1 0 321.461 3.574 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC001594837780 954042588 /nfs/dbraw/zinc/04/25/88/954042588.db2.gz PSYHBHAMPNWYNL-INIZCTEOSA-N -1 0 311.337 3.528 20 0 DHADRM O=C([O-])[C@H](C(=O)Oc1ccc(Cl)c2ccccc12)C1CC1 ZINC001594839259 954063015 /nfs/dbraw/zinc/06/30/15/954063015.db2.gz LEKNQFWKLYWLAW-CQSZACIVSA-N -1 0 304.729 3.509 20 0 DHADRM CN(C)c1c(Cl)cccc1NCc1cccc(C(=O)[O-])c1 ZINC001593709206 954174706 /nfs/dbraw/zinc/17/47/06/954174706.db2.gz INGCXTIZHIQGBT-UHFFFAOYSA-N -1 0 304.777 3.716 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576511 954213714 /nfs/dbraw/zinc/21/37/14/954213714.db2.gz RXFIEPJAAGQLAG-LEWSCRJBSA-N -1 0 323.820 3.514 20 0 DHADRM C[C@H]1CN(C(=O)C=C2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001589372389 954217155 /nfs/dbraw/zinc/21/71/55/954217155.db2.gz LKVNHRUVYVECBD-ZNZOUBGRSA-N -1 0 321.461 3.718 20 0 DHADRM O=C([O-])C1(C(=O)Oc2ccc(Oc3ccccc3)cc2)CCC1 ZINC001594878741 954399431 /nfs/dbraw/zinc/39/94/31/954399431.db2.gz MJMZZZGKQXFAME-UHFFFAOYSA-N -1 0 312.321 3.639 20 0 DHADRM C[C@H]1CCN(C(=O)c2cccc(C3CCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000663056810 954426752 /nfs/dbraw/zinc/42/67/52/954426752.db2.gz CRYWPPOQZIAVOS-GUYCJALGSA-N -1 0 315.413 3.527 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4cc(F)ccc4s3)n2)CCC1 ZINC001594884817 954451297 /nfs/dbraw/zinc/45/12/97/954451297.db2.gz SNQDEGKDQOLASL-UHFFFAOYSA-N -1 0 318.329 3.597 20 0 DHADRM O=C([O-])C1(c2noc(-c3cccc(Cl)c3Cl)n2)CCC1 ZINC001594886820 954471561 /nfs/dbraw/zinc/47/15/61/954471561.db2.gz DXAPLEXRQWRGCO-UHFFFAOYSA-N -1 0 313.140 3.550 20 0 DHADRM C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000080252531 1013124708 /nfs/dbraw/zinc/12/47/08/1013124708.db2.gz 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954649246 /nfs/dbraw/zinc/64/92/46/954649246.db2.gz UXJGIIXRHIIINA-ORHYLEIMSA-N -1 0 304.390 3.571 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC001589435555 954684376 /nfs/dbraw/zinc/68/43/76/954684376.db2.gz KWZIWHQZMITMNQ-AWEZNQCLSA-N -1 0 311.337 3.521 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001589447361 954776207 /nfs/dbraw/zinc/77/62/07/954776207.db2.gz JDBMXDXLJKJLDR-XNDRKVBMSA-N -1 0 321.461 3.552 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001589451187 954799393 /nfs/dbraw/zinc/79/93/93/954799393.db2.gz CPLUSLLLBUABDL-UKRRQHHQSA-N -1 0 317.429 3.700 20 0 DHADRM O=C([O-])[C@@H]1CCN(Cc2nccc3c2CCCC3)c2ccccc21 ZINC001594935105 954851187 /nfs/dbraw/zinc/85/11/87/954851187.db2.gz BTLWAJFYIZRYPM-QGZVFWFLSA-N -1 0 322.408 3.539 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N(Cc1ccccc1F)CC(C)C ZINC001589470454 954920161 /nfs/dbraw/zinc/92/01/61/954920161.db2.gz KXXFPXHPJWSRGZ-UHFFFAOYSA-N -1 0 323.408 3.701 20 0 DHADRM CCC(CC)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(C)c1 ZINC001589509351 955041595 /nfs/dbraw/zinc/04/15/95/955041595.db2.gz NTIRSGJVGDEVRB-JKSUJKDBSA-N -1 0 303.402 3.627 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001589514015 955055387 /nfs/dbraw/zinc/05/53/87/955055387.db2.gz AAEFVAYVXJQQKZ-IMJJTQAJSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](CNC(=O)N1CCC[C@H]1CCC1CCCCC1)C(=O)[O-] ZINC001589525831 955114656 /nfs/dbraw/zinc/11/46/56/955114656.db2.gz FCCVRHTWJLGZTQ-CVEARBPZSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603018301 972076066 /nfs/dbraw/zinc/07/60/66/972076066.db2.gz NESBZAPUNFSVGG-AWEZNQCLSA-N -1 0 319.405 3.602 20 0 DHADRM Cc1oc(-c2ccccc2)cc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001594504875 955352649 /nfs/dbraw/zinc/35/26/49/955352649.db2.gz YZBQCASGSZONTP-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM C[C@@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC001589013928 955412661 /nfs/dbraw/zinc/41/26/61/955412661.db2.gz 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DHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cccc2c1CCCC2 ZINC001594672879 956630222 /nfs/dbraw/zinc/63/02/22/956630222.db2.gz AZQGSVNRFDYNQO-PKNBQFBNSA-N -1 0 311.337 3.509 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001589200770 956632456 /nfs/dbraw/zinc/63/24/56/956632456.db2.gz BFVYDMNBWPXGFK-AWEZNQCLSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC001589203395 956648321 /nfs/dbraw/zinc/64/83/21/956648321.db2.gz NEGRFNQBKJTRFQ-HXUWFJFHSA-N -1 0 324.376 3.722 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCCC1CCCCC1 ZINC001589204800 956656354 /nfs/dbraw/zinc/65/63/54/956656354.db2.gz NKKLLGZNTBKJGV-UHFFFAOYSA-N -1 0 309.450 3.600 20 0 DHADRM CC1(C)CCC(C)(NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001589221159 956775587 /nfs/dbraw/zinc/77/55/87/956775587.db2.gz PUWXCNPOHLJJHT-UHFFFAOYSA-N -1 0 318.417 3.543 20 0 DHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001589225771 956792356 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O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc(F)cc1 ZINC000013171334 956954889 /nfs/dbraw/zinc/95/48/89/956954889.db2.gz VSAGPBZSKQNQKC-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccccc1F ZINC000013171746 956955044 /nfs/dbraw/zinc/95/50/44/956955044.db2.gz IHYBXTFNEMOFBX-UHFFFAOYSA-N -1 0 309.296 3.929 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3ccccc3o2)cc1 ZINC000013179990 956964180 /nfs/dbraw/zinc/96/41/80/956964180.db2.gz LEURBPLWXOKHLT-HNNXBMFYSA-N -1 0 323.348 3.687 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001589256804 957004222 /nfs/dbraw/zinc/00/42/22/957004222.db2.gz WTDJDGNHVSNLAW-SFHVURJKSA-N -1 0 301.386 3.528 20 0 DHADRM Cc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1C ZINC000013390506 957044756 /nfs/dbraw/zinc/04/47/56/957044756.db2.gz SITITXCVXYWJBZ-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM Cc1nnc(SCc2occc2C(=O)[O-])n1C1CCCCC1 ZINC000013409252 957053389 /nfs/dbraw/zinc/05/33/89/957053389.db2.gz TVUYKTNIVNACTF-UHFFFAOYSA-N -1 0 321.402 3.675 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013448474 957087119 /nfs/dbraw/zinc/08/71/19/957087119.db2.gz QJWWGBKGTLLUMO-UHFFFAOYSA-N -1 0 323.392 3.885 20 0 DHADRM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000019993780 957125235 /nfs/dbraw/zinc/12/52/35/957125235.db2.gz KNSFQHWIHARTJL-UHFFFAOYSA-N -1 0 309.774 3.589 20 0 DHADRM CC(C)Oc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC000020473211 957142772 /nfs/dbraw/zinc/14/27/72/957142772.db2.gz QHACWQMRSFFDJB-UHFFFAOYSA-N -1 0 306.749 3.964 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(Cl)o1 ZINC000021504987 957150655 /nfs/dbraw/zinc/15/06/55/957150655.db2.gz WMAMTYFZWJOZDM-UHFFFAOYSA-N -1 0 300.097 3.537 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001118146993 957160488 /nfs/dbraw/zinc/16/04/88/957160488.db2.gz BMXVHNVTJDEJLO-UHFFFAOYSA-N -1 0 312.797 3.579 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001180440042 957247928 /nfs/dbraw/zinc/24/79/28/957247928.db2.gz 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Cc1cc(C(=O)[O-])cc(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c1 ZINC001594282213 957757765 /nfs/dbraw/zinc/75/77/65/957757765.db2.gz OPISRYXQVVCOLD-OCCSQVGLSA-N -1 0 315.413 3.592 20 0 DHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2cccs2)s1 ZINC001574781804 957783476 /nfs/dbraw/zinc/78/34/76/957783476.db2.gz WMTJXEQMESGZNP-SNVBAGLBSA-N -1 0 321.423 3.556 20 0 DHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@]23C[C@H]2CCCC3)c1Cl ZINC001574787293 957790864 /nfs/dbraw/zinc/79/08/64/957790864.db2.gz DEJDVWMRCLFUHC-ANRSDYALSA-N -1 0 311.740 3.696 20 0 DHADRM Cc1cc(C(C)(C)C)c(C)cc1OC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594289731 957818429 /nfs/dbraw/zinc/81/84/29/957818429.db2.gz ACIANQBPLOWYJK-OAHLLOKOSA-N -1 0 304.386 3.617 20 0 DHADRM O=C([O-])c1ccc(COC(=O)c2c(F)cccc2Cl)cc1 ZINC001574802356 957840004 /nfs/dbraw/zinc/84/00/04/957840004.db2.gz GLNRVGRCXDYCRC-UHFFFAOYSA-N -1 0 308.692 3.534 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC001594292971 957841115 /nfs/dbraw/zinc/84/11/15/957841115.db2.gz XBVWHMORTQPKTB-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000084142025 957858517 /nfs/dbraw/zinc/85/85/17/957858517.db2.gz PKCXECPNBINXFA-UHFFFAOYSA-N -1 0 316.184 3.511 20 0 DHADRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c(Cl)c1 ZINC000084155552 957862174 /nfs/dbraw/zinc/86/21/74/957862174.db2.gz SWQFOPZFBLECKX-UHFFFAOYSA-N -1 0 310.781 3.557 20 0 DHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cncc(O)c2)cc1 ZINC000339955038 1013163975 /nfs/dbraw/zinc/16/39/75/1013163975.db2.gz IUTOTDUWNXZHDE-RDTXWAMCSA-N -1 0 310.397 3.709 20 0 DHADRM C[C@@H](c1ccc(F)cc1F)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000390948011 972309690 /nfs/dbraw/zinc/30/96/90/972309690.db2.gz QJVLPCZEUWTWCX-MEDUHNTESA-N -1 0 317.335 3.710 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCCCCCC2)c2ccccc21 ZINC000390960304 972310465 /nfs/dbraw/zinc/31/04/65/972310465.db2.gz MWBSWRDIXCPVGP-MRXNPFEDSA-N -1 0 315.413 3.952 20 0 DHADRM CC(C)(C)c1nsc(Oc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000087643310 958028098 /nfs/dbraw/zinc/02/80/98/958028098.db2.gz KXNCXJSVGUVEJO-UHFFFAOYSA-N -1 0 312.778 3.980 20 0 DHADRM Cc1cc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)ccc1C(=O)[O-] ZINC001594317770 958087955 /nfs/dbraw/zinc/08/79/55/958087955.db2.gz CGYGTSLJFNEAEV-CQSZACIVSA-N -1 0 304.390 3.592 20 0 DHADRM Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001594318704 958101471 /nfs/dbraw/zinc/10/14/71/958101471.db2.gz VBHBZTLDPNLLER-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1cc(NC(=O)c2ccc3scnc3c2)ccc1C(=O)[O-] ZINC001594325627 958169479 /nfs/dbraw/zinc/16/94/79/958169479.db2.gz TZYLOHQRURGDBW-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C=COc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588475005 958560676 /nfs/dbraw/zinc/56/06/76/958560676.db2.gz ROZGQWSUUDUMBJ-UHFFFAOYSA-N -1 0 303.358 3.573 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC000328493635 1013180848 /nfs/dbraw/zinc/18/08/48/1013180848.db2.gz YWXHMWGNWCRUOG-DZKIICNBSA-N -1 0 315.413 3.808 20 0 DHADRM Cc1ccc2nc(C3CC3)cc(-c3nc([C@@H](C)C(=O)[O-])no3)c2c1 ZINC001594382548 958645795 /nfs/dbraw/zinc/64/57/95/958645795.db2.gz BXLLBNGFBMKDBQ-SNVBAGLBSA-N -1 0 323.352 3.659 20 0 DHADRM COc1cccc2c1CCCCN2Cc1cccc(C(=O)[O-])c1 ZINC001594134150 958690295 /nfs/dbraw/zinc/69/02/95/958690295.db2.gz KUWVPZIBOBITCY-UHFFFAOYSA-N -1 0 311.381 3.736 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC001573391664 958705392 /nfs/dbraw/zinc/70/53/92/958705392.db2.gz WDDIVZCLQXBLNC-DMJDIKPUSA-N -1 0 307.434 3.519 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1nsc2ccccc21 ZINC001594391133 958723080 /nfs/dbraw/zinc/72/30/80/958723080.db2.gz WANBUHYTSDIDKG-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CCCCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000391854314 972382790 /nfs/dbraw/zinc/38/27/90/972382790.db2.gz OIIUNYBBLABKPG-UHFFFAOYSA-N -1 0 323.392 3.930 20 0 DHADRM CC(=O)c1ccc2ccccc2c1NC(=O)CCCCC(=O)[O-] ZINC001588534797 958925288 /nfs/dbraw/zinc/92/52/88/958925288.db2.gz UXBSRWFNQGQONH-UHFFFAOYSA-N -1 0 313.353 3.626 20 0 DHADRM CC(C)(C)c1coc(CNc2cccc(CCC(=O)[O-])c2)n1 ZINC001573463965 958931731 /nfs/dbraw/zinc/93/17/31/958931731.db2.gz QZNLWPVPUYOJGH-UHFFFAOYSA-N -1 0 302.374 3.601 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001594409598 958936592 /nfs/dbraw/zinc/93/65/92/958936592.db2.gz KNMCCJTXKKXKQL-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM Cc1cccc2[nH]c(CN3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc21 ZINC001594411191 958949003 /nfs/dbraw/zinc/94/90/03/958949003.db2.gz LXNKIHDZVWNIBF-SFHVURJKSA-N -1 0 320.392 3.660 20 0 DHADRM CC(C)(CCNC(=O)N[C@@H](C1CCC1)C1CCCCC1)C(=O)[O-] ZINC001573474215 958950233 /nfs/dbraw/zinc/95/02/33/958950233.db2.gz IWVSQRYZCGIDFM-OAHLLOKOSA-N -1 0 324.465 3.536 20 0 DHADRM Cc1ccccc1C(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594415332 958990549 /nfs/dbraw/zinc/99/05/49/958990549.db2.gz HGZKJYDFJGQHCX-UHFFFAOYSA-N -1 0 323.270 3.563 20 0 DHADRM C[C@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccsc1 ZINC001588551031 959016915 /nfs/dbraw/zinc/01/69/15/959016915.db2.gz NIXUIFRPVJKVFP-NSHDSACASA-N -1 0 315.394 3.529 20 0 DHADRM CC(C)[C@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccccc1 ZINC001573490665 959022728 /nfs/dbraw/zinc/02/27/28/959022728.db2.gz ZJSPWMFUCNGZAN-HNNXBMFYSA-N -1 0 312.369 3.548 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573509422 959080431 /nfs/dbraw/zinc/08/04/31/959080431.db2.gz HNYMPBQIVFXEMZ-HUUCEWRRSA-N -1 0 317.429 3.739 20 0 DHADRM Cc1ccnc2ccc(C(=O)Nc3sccc3C(=O)[O-])cc12 ZINC001594425331 959113612 /nfs/dbraw/zinc/11/36/12/959113612.db2.gz XTOURWOSFDWECB-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CSc1cc(C)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594189560 959161105 /nfs/dbraw/zinc/16/11/05/959161105.db2.gz OAZHMAUEXIEVAM-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594193614 959179000 /nfs/dbraw/zinc/17/90/00/959179000.db2.gz STMMKLYKACYVFB-UHTWSYAYSA-N -1 0 308.399 3.514 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)CCCCC(=O)[O-])c1 ZINC001594193766 959181322 /nfs/dbraw/zinc/18/13/22/959181322.db2.gz KMXGGHWZCYJRKR-UHFFFAOYSA-N -1 0 301.795 3.645 20 0 DHADRM CSc1ccc(CCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001594195062 959189783 /nfs/dbraw/zinc/18/97/83/959189783.db2.gz QGQNSSAVVXPMGZ-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001594195230 959191923 /nfs/dbraw/zinc/19/19/23/959191923.db2.gz SMVNSYFKSKTUFQ-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC001588575191 959215221 /nfs/dbraw/zinc/21/52/21/959215221.db2.gz HNSPYUXXVNKTDF-GFCCVEGCSA-N -1 0 320.348 3.561 20 0 DHADRM Cc1nc(CN2[C@H](C)CCC[C@@H]2C(=O)[O-])sc1C(C)(C)C ZINC001594453845 959404525 /nfs/dbraw/zinc/40/45/25/959404525.db2.gz QPTMJWSAYIHZHL-ZYHUDNBSSA-N -1 0 310.463 3.577 20 0 DHADRM Cc1nc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1-c1ccccc1 ZINC001594456715 959422678 /nfs/dbraw/zinc/42/26/78/959422678.db2.gz QKDHFJJUCGHFRO-UHFFFAOYSA-N -1 0 324.380 3.641 20 0 DHADRM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])sc2c1CCCC2 ZINC000190656500 959516643 /nfs/dbraw/zinc/51/66/43/959516643.db2.gz FLOQFZMFOUZKPW-UHFFFAOYSA-N -1 0 309.431 3.765 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000190652076 959516955 /nfs/dbraw/zinc/51/69/55/959516955.db2.gz KHLRVKQZFJXMGZ-LSDHHAIUSA-N -1 0 317.429 3.590 20 0 DHADRM C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1Cl ZINC001594240633 959528573 /nfs/dbraw/zinc/52/85/73/959528573.db2.gz FQCWPYKXMXJBTJ-GFVADAIESA-N -1 0 319.744 3.522 20 0 DHADRM C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000191137054 959541580 /nfs/dbraw/zinc/54/15/80/959541580.db2.gz UMNBOADCQMQVTO-SJKOYZFVSA-N -1 0 321.392 3.626 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC000191401445 959560799 /nfs/dbraw/zinc/56/07/99/959560799.db2.gz SWLGGDARMQUCET-NFAWXSAZSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1cc(F)cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191413829 959562873 /nfs/dbraw/zinc/56/28/73/959562873.db2.gz YTPYTMRISJIIRH-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191418165 959564722 /nfs/dbraw/zinc/56/47/22/959564722.db2.gz DGJMBRZCHKMPHY-LLVKDONJSA-N -1 0 317.772 3.856 20 0 DHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)CC(C)(C)CC(=O)[O-])C2)c1 ZINC000191684612 959590870 /nfs/dbraw/zinc/59/08/70/959590870.db2.gz YTURDJOGNOSDNW-OAHLLOKOSA-N -1 0 317.429 3.510 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000192919015 959596496 /nfs/dbraw/zinc/59/64/96/959596496.db2.gz KGKLJPJSYNPNLG-ZIAGYGMSSA-N -1 0 311.381 3.692 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC001588634832 959644909 /nfs/dbraw/zinc/64/49/09/959644909.db2.gz VWDVPOCNSJFIKS-LBPRGKRZSA-N -1 0 320.776 3.574 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2Cl ZINC001588639229 959672517 /nfs/dbraw/zinc/67/25/17/959672517.db2.gz ACBZURJIQKVWCJ-CHWSQXEVSA-N -1 0 310.777 3.617 20 0 DHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC001573667888 959711460 /nfs/dbraw/zinc/71/14/60/959711460.db2.gz MOACFFMSHZJBGW-QGZVFWFLSA-N -1 0 317.316 3.525 20 0 DHADRM C[C@@H]1[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001573691556 959784177 /nfs/dbraw/zinc/78/41/77/959784177.db2.gz VQJOTRHECFERDR-FASAQXTFSA-N -1 0 323.392 3.692 20 0 DHADRM C[C@H]1CC(C)(C)c2cccc(NCc3cc(C(=O)[O-])nn3C)c21 ZINC001573698423 959804554 /nfs/dbraw/zinc/80/45/54/959804554.db2.gz MBPCYWXJTLPTMG-NSHDSACASA-N -1 0 313.401 3.515 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001123379917 960462872 /nfs/dbraw/zinc/46/28/72/960462872.db2.gz FVSPCPXQLIAGMW-SHYRYGCCSA-N -1 0 321.461 3.552 20 0 DHADRM CSc1ccc(C)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001574257532 960543787 /nfs/dbraw/zinc/54/37/87/960543787.db2.gz NMSXZBBUJPIJPA-VMPITWQZSA-N -1 0 317.366 3.660 20 0 DHADRM C[C@H](SCCC(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001603281791 972514209 /nfs/dbraw/zinc/51/42/09/972514209.db2.gz QPSWVQLHEQURRL-ZETCQYMHSA-N -1 0 322.213 3.528 20 0 DHADRM C[C@@H](OC(=O)CCCCC(=O)[O-])c1cccc(OC(F)F)c1 ZINC001574266757 960591114 /nfs/dbraw/zinc/59/11/14/960591114.db2.gz OIVOZHABQODEAX-SNVBAGLBSA-N -1 0 316.300 3.537 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC001573767577 960625427 /nfs/dbraw/zinc/62/54/27/960625427.db2.gz BODYWKHECNCKQO-DWBBHFSCSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(Cl)cc1 ZINC001574286667 960664082 /nfs/dbraw/zinc/66/40/82/960664082.db2.gz WYTMHZXVROVTBG-JTQLQIEISA-N -1 0 323.820 3.654 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCC(CCC(=O)[O-])CC2)C1(C)C ZINC001574289383 960674003 /nfs/dbraw/zinc/67/40/03/960674003.db2.gz KQZCNSMZUZDKKJ-UGSOOPFHSA-N -1 0 309.450 3.552 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC001573778208 960710987 /nfs/dbraw/zinc/71/09/87/960710987.db2.gz VNDSVJWVRMLGHE-MRXNPFEDSA-N -1 0 319.445 3.509 20 0 DHADRM CC(C)[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236642025 960721798 /nfs/dbraw/zinc/72/17/98/960721798.db2.gz JNJIEZZDHYRZRU-MAUKXSAKSA-N -1 0 317.429 3.530 20 0 DHADRM Cc1c(F)ccc(Cl)c1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001574303811 960725699 /nfs/dbraw/zinc/72/56/99/960725699.db2.gz BOVIQWNZYRCGLQ-GORDUTHDSA-N -1 0 323.707 3.731 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(Cl)c2occc21)C(=O)[O-] ZINC001573788033 960738314 /nfs/dbraw/zinc/73/83/14/960738314.db2.gz BGHUOCPHMLUETF-UHFFFAOYSA-N -1 0 323.776 3.707 20 0 DHADRM C/C(=C/C(=O)N(CCC(=O)[O-])CC(C)C)c1ccccc1Cl ZINC000236736753 960746152 /nfs/dbraw/zinc/74/61/52/960746152.db2.gz CAMOZHOEMDXRTN-RAXLEYEMSA-N -1 0 323.820 3.703 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)C(C)(C)C ZINC001261627199 960750808 /nfs/dbraw/zinc/75/08/08/960750808.db2.gz QNFBTDWVJFNBEI-VSKPTYQZSA-N -1 0 303.402 3.619 20 0 DHADRM CCCCCOc1ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC000236765625 960753201 /nfs/dbraw/zinc/75/32/01/960753201.db2.gz HLJYVHKQSMLXRX-SFHVURJKSA-N -1 0 321.417 3.629 20 0 DHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])ccc1Cl ZINC001574312356 960764523 /nfs/dbraw/zinc/76/45/23/960764523.db2.gz GEFBCDLVGSGYPM-ZDUSSCGKSA-N -1 0 311.809 3.658 20 0 DHADRM Cc1cc(CNC(=O)[C@@H](C)CC2CCCCC2)oc1C(=O)[O-] ZINC001261843844 960769170 /nfs/dbraw/zinc/76/91/70/960769170.db2.gz UESJDVCAJLPTHF-LBPRGKRZSA-N -1 0 307.390 3.509 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236979202 960821731 /nfs/dbraw/zinc/82/17/31/960821731.db2.gz MOPOPMUSSCHCIR-UHFFFAOYSA-N -1 0 317.772 3.701 20 0 DHADRM CC[C@@H](C)[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000236865115 960783207 /nfs/dbraw/zinc/78/32/07/960783207.db2.gz FCIRMDGODIRXDQ-OTYXRUKQSA-N -1 0 317.385 3.587 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC001574318130 960803698 /nfs/dbraw/zinc/80/36/98/960803698.db2.gz MZJSYTLUZLZXHF-OAHLLOKOSA-N -1 0 323.392 3.543 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000236939431 960806244 /nfs/dbraw/zinc/80/62/44/960806244.db2.gz TXVZFOQPJYGQSG-UHFFFAOYSA-N -1 0 317.772 3.701 20 0 DHADRM Cc1cc(C(C)(C)C)c(C)cc1OC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574318855 960810762 /nfs/dbraw/zinc/81/07/62/960810762.db2.gz BCGXGGAGYFJMSR-OLZOCXBDSA-N -1 0 304.386 3.617 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000236972287 960818558 /nfs/dbraw/zinc/81/85/58/960818558.db2.gz DSIUCZIWQFVKRJ-CYBMUJFWSA-N -1 0 301.317 3.656 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCSc1ccc(C)c(C)c1 ZINC000236993469 960826987 /nfs/dbraw/zinc/82/69/87/960826987.db2.gz LGGNGQGLAKIVBL-KRWDZBQOSA-N -1 0 323.458 3.545 20 0 DHADRM Cc1cc(C)c(/C=C/C(=O)NCc2ccccc2C(=O)[O-])cc1C ZINC001574322069 960830012 /nfs/dbraw/zinc/83/00/12/960830012.db2.gz MQZSNUOGVLGCKR-CMDGGOBGSA-N -1 0 323.392 3.640 20 0 DHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COc2ccccc21 ZINC000220326810 1013205713 /nfs/dbraw/zinc/20/57/13/1013205713.db2.gz NLYPHFFGTWJCQZ-SNVBAGLBSA-N -1 0 324.163 3.814 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H](C)c1ccc(F)cc1 ZINC000237041112 960849001 /nfs/dbraw/zinc/84/90/01/960849001.db2.gz ABYDFPZPVAVPBP-SNVBAGLBSA-N -1 0 321.373 3.809 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000237063826 960860547 /nfs/dbraw/zinc/86/05/47/960860547.db2.gz SYSIDOKTAQTOPD-CQSZACIVSA-N -1 0 311.381 3.679 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1C(=O)[O-] ZINC000237365192 960918119 /nfs/dbraw/zinc/91/81/19/960918119.db2.gz OPUSZVCVBQRWMW-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237369192 960919677 /nfs/dbraw/zinc/91/96/77/960919677.db2.gz DKDVAGHISCBBSH-CQSZACIVSA-N -1 0 317.429 3.950 20 0 DHADRM CC[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573814853 960925909 /nfs/dbraw/zinc/92/59/09/960925909.db2.gz ZLBMYKDBIVBGJN-RBJHHQRMSA-N -1 0 300.310 3.686 20 0 DHADRM Cc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001574338425 960928937 /nfs/dbraw/zinc/92/89/37/960928937.db2.gz SRUIJLWHPJOYLI-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(F)c1F ZINC001319418165 960948726 /nfs/dbraw/zinc/94/87/26/960948726.db2.gz ZCFQQQDJFPGWMS-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)C1CCCCC1 ZINC000237510270 960950323 /nfs/dbraw/zinc/95/03/23/960950323.db2.gz YIRNTIQQCWHJOW-JSGCOSHPSA-N -1 0 323.458 3.987 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574357764 961011637 /nfs/dbraw/zinc/01/16/37/961011637.db2.gz YKQCPICGIZNSMM-FUWURINLSA-N -1 0 313.353 3.519 20 0 DHADRM Cc1ccc(C(F)(F)C(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001574359380 961012143 /nfs/dbraw/zinc/01/21/43/961012143.db2.gz DUKMRHZKCDHYQB-UHFFFAOYSA-N -1 0 319.307 3.732 20 0 DHADRM Cc1ccc(C)c(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C ZINC001574359371 961012804 /nfs/dbraw/zinc/01/28/04/961012804.db2.gz DAUDSHJBLHFOAX-VQHVLOKHSA-N -1 0 300.310 3.522 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000237791516 961026236 /nfs/dbraw/zinc/02/62/36/961026236.db2.gz XKMCULCLNXLZBQ-KRWDZBQOSA-N -1 0 309.365 3.671 20 0 DHADRM CCC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573836574 961058476 /nfs/dbraw/zinc/05/84/76/961058476.db2.gz VKDGGSGYOZFDEP-HBIYDYFMSA-N -1 0 313.353 3.649 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cn1 ZINC001325728971 961059031 /nfs/dbraw/zinc/05/90/31/961059031.db2.gz MZWVLZKQCTZSPP-UHFFFAOYSA-N -1 0 312.369 3.638 20 0 DHADRM CCCC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C1CCC1 ZINC001573841467 961083473 /nfs/dbraw/zinc/08/34/73/961083473.db2.gz TUEHQHXBZNQZNM-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM CCCC[C@](C)(F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573841577 961084428 /nfs/dbraw/zinc/08/44/28/961084428.db2.gz XIXKREPVOQGFDR-KRWDZBQOSA-N -1 0 307.365 3.582 20 0 DHADRM O=C([O-])CCCCCNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000238137929 961122169 /nfs/dbraw/zinc/12/21/69/961122169.db2.gz LWUULIUMZZEZCF-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1 ZINC000238144074 961127028 /nfs/dbraw/zinc/12/70/28/961127028.db2.gz UHBHRFZVUCYOSM-UHFFFAOYSA-N -1 0 323.320 3.952 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Cc1ccccc1F ZINC001574389579 961158475 /nfs/dbraw/zinc/15/84/75/961158475.db2.gz QRADSIUKHSCENT-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001588739790 961161207 /nfs/dbraw/zinc/16/12/07/961161207.db2.gz USCZIRABKPXPAX-CQSZACIVSA-N -1 0 323.820 3.717 20 0 DHADRM Cc1cccc([C@@H](NCc2cnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001574394884 961200932 /nfs/dbraw/zinc/20/09/32/961200932.db2.gz HOEQJBRZRAGLJH-QGZVFWFLSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001574401965 961238374 /nfs/dbraw/zinc/23/83/74/961238374.db2.gz QUPUSQYWKJBKBY-JKSUJKDBSA-N -1 0 305.418 3.555 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001574401964 961238567 /nfs/dbraw/zinc/23/85/67/961238567.db2.gz QUPUSQYWKJBKBY-HZPDHXFCSA-N -1 0 305.418 3.555 20 0 DHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001574402458 961245032 /nfs/dbraw/zinc/24/50/32/961245032.db2.gz YUBBRUGKFXZARD-KXBFYZLASA-N -1 0 317.429 3.699 20 0 DHADRM Cc1cccc2ncnc(N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)c12 ZINC001574403485 961248176 /nfs/dbraw/zinc/24/81/76/961248176.db2.gz UYZFSLCZNCSNJA-HOCLYGCPSA-N -1 0 319.364 3.663 20 0 DHADRM Cc1cccc2oc(C(=O)Nc3ccccc3CC(=O)[O-])cc21 ZINC001574403879 961249495 /nfs/dbraw/zinc/24/94/95/961249495.db2.gz YAGOSOLGZYPDRS-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM Cc1nc2cc(NC(=O)C3(C(=O)[O-])CCCCC3)ccc2s1 ZINC001574424474 961363314 /nfs/dbraw/zinc/36/33/14/961363314.db2.gz YFZBWKNMYNISML-UHFFFAOYSA-N -1 0 318.398 3.578 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000261631113 961384585 /nfs/dbraw/zinc/38/45/85/961384585.db2.gz HHMUTENUFHFNGX-GOSISDBHSA-N -1 0 323.392 3.599 20 0 DHADRM CCc1sc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000262038381 961409067 /nfs/dbraw/zinc/40/90/67/961409067.db2.gz BPVCDGWZCXTTGA-UHFFFAOYSA-N -1 0 317.410 3.888 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC001588802887 961434157 /nfs/dbraw/zinc/43/41/57/961434157.db2.gz BSPBOMDSPTXDCC-INIZCTEOSA-N -1 0 317.429 3.620 20 0 DHADRM Cc1cnccc1N1N=C(Cc2ccccc2)[C@@H](C(C)C)C1=O ZINC000634606453 1013255319 /nfs/dbraw/zinc/25/53/19/1013255319.db2.gz SPESZTDOPJPAJZ-GOSISDBHSA-N -1 0 307.397 3.608 20 0 DHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262084723 961445125 /nfs/dbraw/zinc/44/51/25/961445125.db2.gz BWCSHSJFQPQKQS-CZUORRHYSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262111757 961468764 /nfs/dbraw/zinc/46/87/64/961468764.db2.gz MRQGQCLNEZZTFH-QWHCGFSZSA-N -1 0 321.442 3.935 20 0 DHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001573931546 961580190 /nfs/dbraw/zinc/58/01/90/961580190.db2.gz BNUVUODDXSMURD-UONOGXRCSA-N -1 0 322.430 3.571 20 0 DHADRM CCSCc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001573932397 961587619 /nfs/dbraw/zinc/58/76/19/961587619.db2.gz SRQUBAAMCQYXBV-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573936828 961604014 /nfs/dbraw/zinc/60/40/14/961604014.db2.gz WVTNLJZMAYYGDM-XWMZGADDSA-N -1 0 317.429 3.613 20 0 DHADRM CC(C)[C@@H](CNC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588821019 961614862 /nfs/dbraw/zinc/61/48/62/961614862.db2.gz MHSWEYFWUJMKSJ-YMAMQOFZSA-N -1 0 311.466 3.702 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2c[nH]nc2C(C)(C)C)c1 ZINC001333138789 961658500 /nfs/dbraw/zinc/65/85/00/961658500.db2.gz XFBKXDKQMAKALZ-LLVKDONJSA-N -1 0 301.390 3.507 20 0 DHADRM CCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC001573956693 961674450 /nfs/dbraw/zinc/67/44/50/961674450.db2.gz MQGFPMKKCIODPB-PWSUYJOCSA-N -1 0 324.808 3.619 20 0 DHADRM O=C([O-])[C@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000262381091 961683234 /nfs/dbraw/zinc/68/32/34/961683234.db2.gz HAHXVURXFXUHTA-HNNXBMFYSA-N -1 0 324.380 3.741 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000262386991 961687215 /nfs/dbraw/zinc/68/72/15/961687215.db2.gz ZJJCTCGVTRDSIR-BZUAXINKSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)c1ccccc1 ZINC000262544468 961765475 /nfs/dbraw/zinc/76/54/75/961765475.db2.gz VQZHFAMBCORQFS-UHFFFAOYSA-N -1 0 311.381 4.000 20 0 DHADRM Cc1noc(C(C)C)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262565644 961774545 /nfs/dbraw/zinc/77/45/45/961774545.db2.gz XUMHMJUIAOZZFP-UHFFFAOYSA-N -1 0 316.357 3.674 20 0 DHADRM CN(C(=O)c1ccc(C2CCCC2)cc1)C(C)(C)CC(=O)[O-] ZINC001334204077 961783590 /nfs/dbraw/zinc/78/35/90/961783590.db2.gz WSEPZZBLDPYLFN-UHFFFAOYSA-N -1 0 303.402 3.670 20 0 DHADRM O=C([O-])[C@H](NC(=O)/C=C/C1CCCCCC1)c1ccc(F)cc1 ZINC001574512139 961802915 /nfs/dbraw/zinc/80/29/15/961802915.db2.gz GMIYKJDNUNICRB-SNQZOLJRSA-N -1 0 319.376 3.594 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000262688002 961807363 /nfs/dbraw/zinc/80/73/63/961807363.db2.gz DBAOLKCGWSZQEJ-KKUMJFAQSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001588842264 961815426 /nfs/dbraw/zinc/81/54/26/961815426.db2.gz XEHXAXXTFVYVIN-OLZOCXBDSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)C[C@H](C)N(C(=O)[C@H](C)C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001588846664 961882979 /nfs/dbraw/zinc/88/29/79/961882979.db2.gz XUCAAMSFNRXSNU-STQMWFEESA-N -1 0 316.401 3.656 20 0 DHADRM O=C([O-])C[C@H](NC(=O)CCC1CC1)c1ccc2ccccc2c1 ZINC000262888897 961964024 /nfs/dbraw/zinc/96/40/24/961964024.db2.gz CGKIGEJZYRGSHG-KRWDZBQOSA-N -1 0 311.381 3.662 20 0 DHADRM COc1cc(NC(=O)[C@@H](C)CC2CCCC2)ccc1C(=O)[O-] ZINC000262922639 962005866 /nfs/dbraw/zinc/00/58/66/962005866.db2.gz KOFACDODBQJKFD-NSHDSACASA-N -1 0 305.374 3.548 20 0 DHADRM CC(C)CCc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001588867858 962032964 /nfs/dbraw/zinc/03/29/64/962032964.db2.gz JYPQEBTWQQKSTO-UHFFFAOYSA-N -1 0 301.386 3.635 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001340794636 962113948 /nfs/dbraw/zinc/11/39/48/962113948.db2.gz CWPXPZLWVXRSJP-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2c2nc(C(=O)[O-])co2)o1 ZINC000519407582 1013315546 /nfs/dbraw/zinc/31/55/46/1013315546.db2.gz PVKOUWRKBLPIEW-GXFFZTMASA-N -1 0 304.346 3.506 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1cc(C(F)F)ccc1F ZINC001574607568 962174685 /nfs/dbraw/zinc/17/46/85/962174685.db2.gz GLRCUMABSIZOGZ-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC001588886635 962178477 /nfs/dbraw/zinc/17/84/77/962178477.db2.gz QAIWOCJSUBSJPC-MRXNPFEDSA-N -1 0 316.401 3.520 20 0 DHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2)c(Cl)c1OC ZINC000076275336 1013320635 /nfs/dbraw/zinc/32/06/35/1013320635.db2.gz MXIUSSKGCZOHRQ-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263107527 962258055 /nfs/dbraw/zinc/25/80/55/962258055.db2.gz ADAJEXWVZFTUJB-HIFRSBDPSA-N -1 0 321.417 3.787 20 0 DHADRM CC(C)C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-] ZINC001588905443 962261941 /nfs/dbraw/zinc/26/19/41/962261941.db2.gz WIRZXSLBJLCMHS-INIZCTEOSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)(CCC(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000659239288 1013327140 /nfs/dbraw/zinc/32/71/40/1013327140.db2.gz KUAJDPUWZZKSEI-BEFAXECRSA-N -1 0 317.429 3.504 20 0 DHADRM Cc1oc(CN(C)C(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000263225564 962376592 /nfs/dbraw/zinc/37/65/92/962376592.db2.gz ZZZISBLMORASJX-UHFFFAOYSA-N -1 0 321.760 3.520 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000263291625 962432397 /nfs/dbraw/zinc/43/23/97/962432397.db2.gz LPBKXMJJWNHPNB-CQSZACIVSA-N -1 0 309.793 3.649 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCCC(=O)[O-])CCC2 ZINC000263308103 962448924 /nfs/dbraw/zinc/44/89/24/962448924.db2.gz OURPXIHAEPJYAY-QGZVFWFLSA-N -1 0 317.429 3.949 20 0 DHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000263311265 962454311 /nfs/dbraw/zinc/45/43/11/962454311.db2.gz GMMCHZVOPAWZND-BBRMVZONSA-N -1 0 305.418 3.781 20 0 DHADRM CC(C)O[C@@H]1C[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC001588933828 962483653 /nfs/dbraw/zinc/48/36/53/962483653.db2.gz YPZNYZWMFIASFN-HZPDHXFCSA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)[C@@H](Nc1nc2c(cc(Cl)cc2F)s1)C(=O)[O-] ZINC001588953760 962580038 /nfs/dbraw/zinc/58/00/38/962580038.db2.gz FMIQBVIVKVRION-SECBINFHSA-N -1 0 302.758 3.610 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001588968871 962659556 /nfs/dbraw/zinc/65/95/56/962659556.db2.gz QQLJMBBQDZIOBQ-UHFFFAOYSA-N -1 0 313.357 3.572 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000263473039 962660122 /nfs/dbraw/zinc/66/01/22/962660122.db2.gz LVQVWAOKSPOZGC-UHFFFAOYSA-N -1 0 307.365 3.670 20 0 DHADRM C=C/C=C\CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001573351931 962983732 /nfs/dbraw/zinc/98/37/32/962983732.db2.gz YYEAOZLNAIGDCL-CWIOURORSA-N -1 0 309.365 3.604 20 0 DHADRM CCn1c2ccccc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000048879824 1013389374 /nfs/dbraw/zinc/38/93/74/1013389374.db2.gz SCMCJZUMFHFGCL-UHFFFAOYSA-N -1 0 310.353 3.577 20 0 DHADRM CC[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1c(C)noc1C ZINC000340321667 1013492802 /nfs/dbraw/zinc/49/28/02/1013492802.db2.gz OHXODUFAVQAFKX-JTQLQIEISA-N -1 0 308.765 3.783 20 0 DHADRM CO[C@@](C)(C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000340325523 1013495135 /nfs/dbraw/zinc/49/51/35/1013495135.db2.gz UFYGOXIGFDQWAR-MRXNPFEDSA-N -1 0 305.761 3.546 20 0 DHADRM CC(C)CCC1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000519777281 1013604025 /nfs/dbraw/zinc/60/40/25/1013604025.db2.gz RRAQYQJKLLESJK-UHFFFAOYSA-N -1 0 323.477 3.942 20 0 DHADRM COCc1cc(-c2cccc(OCCCC(=O)[O-])c2)cs1 ZINC000630577301 1013695187 /nfs/dbraw/zinc/69/51/87/1013695187.db2.gz LTGZRBGKTBGHFB-UHFFFAOYSA-N -1 0 306.383 3.805 20 0 DHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000188330002 1013696913 /nfs/dbraw/zinc/69/69/13/1013696913.db2.gz GIJSRGTWBLQAFB-UHFFFAOYSA-N -1 0 318.423 3.691 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238224958 1013725638 /nfs/dbraw/zinc/72/56/38/1013725638.db2.gz AYSBZJVRRZLULI-KGLIPLIRSA-N -1 0 315.756 3.780 20 0 DHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000188413174 1013738090 /nfs/dbraw/zinc/73/80/90/1013738090.db2.gz UMXXLHTVMBZLST-UHFFFAOYSA-N -1 0 318.423 3.691 20 0 DHADRM CCN1CCc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc21 ZINC000076480495 1013743149 /nfs/dbraw/zinc/74/31/49/1013743149.db2.gz SOYNMMMJBFCVKE-UHFFFAOYSA-N -1 0 316.788 3.680 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263525101 967898381 /nfs/dbraw/zinc/89/83/81/967898381.db2.gz JLDSQTXXPCVUCQ-UHFFFAOYSA-N -1 0 301.342 3.591 20 0 DHADRM Cc1scc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000263549372 967899832 /nfs/dbraw/zinc/89/98/32/967899832.db2.gz VSASNUAVZAOJLF-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000240790609 1013767891 /nfs/dbraw/zinc/76/78/91/1013767891.db2.gz AYLBHOPZQVLUPK-UHFFFAOYSA-N -1 0 324.471 3.785 20 0 DHADRM O=C(Nc1ncc(Cl)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000683623465 1013769734 /nfs/dbraw/zinc/76/97/34/1013769734.db2.gz LGZDHOHQVTYLJO-UHFFFAOYSA-N -1 0 307.133 3.547 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000683623536 1013771365 /nfs/dbraw/zinc/77/13/65/1013771365.db2.gz MUNXBGBUGVAGGY-AWEZNQCLSA-N -1 0 323.726 3.911 20 0 DHADRM O=C([O-])C1CCC(Nc2cccc(C3CCOCC3)c2)CC1 ZINC000530252792 968396116 /nfs/dbraw/zinc/39/61/16/968396116.db2.gz QUKPHWCVKNPIEE-UHFFFAOYSA-N -1 0 303.402 3.636 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000574008923 968455382 /nfs/dbraw/zinc/45/53/82/968455382.db2.gz PDURKHGOLRUMFV-INMULRNOSA-N -1 0 321.376 3.703 20 0 DHADRM CCOc1ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc1Cl ZINC000653297622 968644005 /nfs/dbraw/zinc/64/40/05/968644005.db2.gz XJGHXTGWCOHEJD-UHFFFAOYSA-N -1 0 313.781 3.568 20 0 DHADRM Cc1cc(-c2ccsc2CC(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000579973311 1013819818 /nfs/dbraw/zinc/81/98/18/1013819818.db2.gz ZEKQMQFIIVGIGA-ZDUSSCGKSA-N -1 0 318.394 3.518 20 0 DHADRM Cc1ccc2oc(N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)nc2c1 ZINC000656092843 968715597 /nfs/dbraw/zinc/71/55/97/968715597.db2.gz RLJOMGRGWJBAIM-GRYCIOLGSA-N -1 0 302.374 3.684 20 0 DHADRM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000659767115 968746995 /nfs/dbraw/zinc/74/69/95/968746995.db2.gz NNIAZXXAFAHAOF-VBNZEHGJSA-N -1 0 317.429 3.675 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000315954657 1013828826 /nfs/dbraw/zinc/82/88/26/1013828826.db2.gz VHIKTUTZKIYUIF-OAHLLOKOSA-N -1 0 304.390 3.671 20 0 DHADRM CCSc1ccc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663092891 968799190 /nfs/dbraw/zinc/79/91/90/968799190.db2.gz SSVRIWUTFJAJOZ-RISCZKNCSA-N -1 0 323.458 3.723 20 0 DHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000330915096 1013850880 /nfs/dbraw/zinc/85/08/80/1013850880.db2.gz YQWHPPODPNHGSL-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM C[C@H](c1ccccc1Cl)N(C(=O)CCCC(=O)[O-])C1CC1 ZINC000844248956 969244250 /nfs/dbraw/zinc/24/42/50/969244250.db2.gz GMXBMCFTJZSMEX-LLVKDONJSA-N -1 0 309.793 3.647 20 0 DHADRM CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000078838824 1013869257 /nfs/dbraw/zinc/86/92/57/1013869257.db2.gz KQOSYJBWTOLVLL-UHFFFAOYSA-N -1 0 323.698 3.798 20 0 DHADRM CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1ccco1 ZINC000655587360 1013893704 /nfs/dbraw/zinc/89/37/04/1013893704.db2.gz QWNMTGXUOIZOOR-UHFFFAOYSA-N -1 0 309.387 3.505 20 0 DHADRM C/C(=C\C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573386194 969809366 /nfs/dbraw/zinc/80/93/66/969809366.db2.gz PJMHWWIXBCIDJI-BCNIOPEESA-N -1 0 323.820 3.606 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000317192468 970337202 /nfs/dbraw/zinc/33/72/02/970337202.db2.gz YAAAWCSDDHAHNS-GFCCVEGCSA-N -1 0 323.820 3.611 20 0 DHADRM CCCC[C@H](CCC)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000319134385 970505489 /nfs/dbraw/zinc/50/54/89/970505489.db2.gz PHSYIWSRRRWATD-CABCVRRESA-N -1 0 312.454 3.632 20 0 DHADRM CSc1cccc(C)c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001604971840 972567317 /nfs/dbraw/zinc/56/73/17/972567317.db2.gz VJUUKTYJFJKJGN-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001604998573 972591103 /nfs/dbraw/zinc/59/11/03/972591103.db2.gz JBDWPFTXZNVQNV-MWSHKUMGSA-N -1 0 319.401 3.712 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1cc(-c2ccccc2)ccn1 ZINC001605863491 972619155 /nfs/dbraw/zinc/61/91/55/972619155.db2.gz SGOAXABVAZVPNE-UHFFFAOYSA-N -1 0 318.332 3.699 20 0 DHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1F ZINC001605053899 972671151 /nfs/dbraw/zinc/67/11/51/972671151.db2.gz JHOVMBTWVDQDOP-AYVTZFPOSA-N -1 0 314.740 3.584 20 0 DHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001603336126 972709538 /nfs/dbraw/zinc/70/95/38/972709538.db2.gz CQJFSTVABLTVHL-HOTGVXAUSA-N -1 0 324.380 3.699 20 0 DHADRM O=C([O-])[C@H](C(=O)OCc1ccc(Cl)c2ccccc12)C1CC1 ZINC001605900278 972718584 /nfs/dbraw/zinc/71/85/84/972718584.db2.gz FTUOMLRPNNRRIV-OAHLLOKOSA-N -1 0 318.756 3.647 20 0 DHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001603339717 972725963 /nfs/dbraw/zinc/72/59/63/972725963.db2.gz MIGGYXUAVCPFHG-SFHVURJKSA-N -1 0 301.386 3.570 20 0 DHADRM Cc1cc(C)c(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC001605153077 972843058 /nfs/dbraw/zinc/84/30/58/972843058.db2.gz UTKWBUGFABRNIL-NEPJUHHUSA-N -1 0 324.808 3.674 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CCC1 ZINC001605938108 972883539 /nfs/dbraw/zinc/88/35/39/972883539.db2.gz TYIZMICNPONMNM-UHFFFAOYSA-N -1 0 310.353 3.624 20 0 DHADRM O=C([O-])C1(c2noc(-c3cc4ccccc4cc3F)n2)CCC1 ZINC001605961834 972933987 /nfs/dbraw/zinc/93/39/87/972933987.db2.gz QMMUZQVLJPJCLD-UHFFFAOYSA-N -1 0 312.300 3.535 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@H]1C ZINC001603380731 972951509 /nfs/dbraw/zinc/95/15/09/972951509.db2.gz JDLIKUKEPSGIJH-NFAWXSAZSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1cc(NCc2cn(C)nc2C2CCCC2)ccc1C(=O)[O-] ZINC001605213510 972957361 /nfs/dbraw/zinc/95/73/61/972957361.db2.gz PWOUSDNTAGCYFU-UHFFFAOYSA-N -1 0 313.401 3.696 20 0 DHADRM Cc1cc(OC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1Cl ZINC001605216702 972962754 /nfs/dbraw/zinc/96/27/54/972962754.db2.gz NMQSIDKJPNTLDT-HWKANZROSA-N -1 0 306.701 3.558 20 0 DHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1C ZINC000317355077 1014071570 /nfs/dbraw/zinc/07/15/70/1014071570.db2.gz HZGYGYNCJHBVBF-UHFFFAOYSA-N -1 0 321.446 3.568 20 0 DHADRM C[C@@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001603417901 973131226 /nfs/dbraw/zinc/13/12/26/973131226.db2.gz XUVMLIXCIAJUQT-HIFRSBDPSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001605310192 973135131 /nfs/dbraw/zinc/13/51/31/973135131.db2.gz QDKAXPAAGKUXKF-INIZCTEOSA-N -1 0 310.353 3.502 20 0 DHADRM Cc1cccc(-c2cccc(CNC(=O)C3(C(=O)[O-])CCC3)c2)c1 ZINC001605318702 973148263 /nfs/dbraw/zinc/14/82/63/973148263.db2.gz KFXCAHWRKSMPRO-UHFFFAOYSA-N -1 0 323.392 3.533 20 0 DHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2F)c(C)c1 ZINC000158536062 1014086628 /nfs/dbraw/zinc/08/66/28/1014086628.db2.gz OXNMRSJLZJICQV-UHFFFAOYSA-N -1 0 311.353 3.691 20 0 DHADRM Cc1cccc([C@@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-])c1 ZINC001605328134 973178119 /nfs/dbraw/zinc/17/81/19/973178119.db2.gz KVLROOITVNHZGH-OAHLLOKOSA-N -1 0 323.458 3.549 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC001605345023 973235339 /nfs/dbraw/zinc/23/53/39/973235339.db2.gz NSUAAZUBPFQQMP-NVXWUHKLSA-N -1 0 324.380 3.738 20 0 DHADRM Cc1cccc2c1CCC[C@H]2NC(=O)c1cccc(C(=O)[O-])c1 ZINC001605347736 973245569 /nfs/dbraw/zinc/24/55/69/973245569.db2.gz QZWQIKRCCTZGRW-QGZVFWFLSA-N -1 0 309.365 3.501 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000401297331 973352048 /nfs/dbraw/zinc/35/20/48/973352048.db2.gz QLAZQLJAALYCTM-SNVBAGLBSA-N -1 0 318.200 3.613 20 0 DHADRM O=C([O-])CCCCCNC(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC001606151801 973407968 /nfs/dbraw/zinc/40/79/68/973407968.db2.gz FPUOTQCIIOEZFR-KRWDZBQOSA-N -1 0 324.465 3.680 20 0 DHADRM CN(C(=O)Nc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000683921349 1014109744 /nfs/dbraw/zinc/10/97/44/1014109744.db2.gz NOCCNLFWQRLAAV-CQSZACIVSA-N -1 0 318.760 3.630 20 0 DHADRM COc1c(Nc2cc(C)nn2-c2ccccc2)cccc1C(=O)[O-] ZINC001211031854 1014111208 /nfs/dbraw/zinc/11/12/08/1014111208.db2.gz LHKOXDVUVCPRLC-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)C2(C3CCC3)CCC2)c1 ZINC001606209952 973453370 /nfs/dbraw/zinc/45/33/70/973453370.db2.gz DHYLFYSGMQEYNY-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM CC[C@@H](C)CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001603512267 973512133 /nfs/dbraw/zinc/51/21/33/973512133.db2.gz IXFIHSNZSYWKBI-MRVPVSSYSA-N -1 0 316.760 3.735 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC001603519856 973543055 /nfs/dbraw/zinc/54/30/55/973543055.db2.gz IBRDKVJPJYGGOS-LSDHHAIUSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C)cc1 ZINC001603582252 973741151 /nfs/dbraw/zinc/74/11/51/973741151.db2.gz GXZZNTZKCZIAFV-HLRDLLSLSA-N -1 0 313.353 3.567 20 0 DHADRM CC[C@H](OC(=O)CCCC(=O)[O-])c1c(F)cccc1Cl ZINC001603586921 973773890 /nfs/dbraw/zinc/77/38/90/973773890.db2.gz CIXDAKYOKSXMRK-NSHDSACASA-N -1 0 302.729 3.728 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3occc3c2)C1 ZINC001603600743 973842716 /nfs/dbraw/zinc/84/27/16/973842716.db2.gz PKAFLEKIPWRHMW-KRWDZBQOSA-N -1 0 316.357 3.542 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603619970 973920164 /nfs/dbraw/zinc/92/01/64/973920164.db2.gz PYRORYXFNKCKRG-JSGCOSHPSA-N -1 0 304.390 3.723 20 0 DHADRM CC[C@H]1CCc2ccccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001603624939 973931994 /nfs/dbraw/zinc/93/19/94/973931994.db2.gz QKZYFBOJWGFYQV-INIZCTEOSA-N -1 0 323.392 3.685 20 0 DHADRM CCCC(=CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)CCC ZINC001603628646 973949594 /nfs/dbraw/zinc/94/95/94/973949594.db2.gz SVUXYCSZIRLOGQ-MRXNPFEDSA-N -1 0 307.365 3.594 20 0 DHADRM CSCc1cnc(CNc2cccc(C(=O)[O-])c2C)s1 ZINC000417578216 973961591 /nfs/dbraw/zinc/96/15/91/973961591.db2.gz NFEAGGONKWFFCI-UHFFFAOYSA-N -1 0 308.428 3.625 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001606483864 973970036 /nfs/dbraw/zinc/97/00/36/973970036.db2.gz YNVGKLNOYUSPBP-HYVNUMGLSA-N -1 0 315.413 3.608 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001603636328 973975777 /nfs/dbraw/zinc/97/57/77/973975777.db2.gz UJUNOAZGYDFZMK-STQMWFEESA-N -1 0 319.405 3.508 20 0 DHADRM CCC[C@H]1CCc2ccccc2N1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603636565 973977036 /nfs/dbraw/zinc/97/70/36/973977036.db2.gz YKTVMNVXOXGUAA-XHSDSOJGSA-N -1 0 315.413 3.635 20 0 DHADRM CCCCCCN(Cc1ccco1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001603640287 973980212 /nfs/dbraw/zinc/98/02/12/973980212.db2.gz ATDINGIHYKJYFK-SFHVURJKSA-N -1 0 321.417 3.689 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)c2cccc3c2CCCCC3)c1 ZINC001606511788 974005464 /nfs/dbraw/zinc/00/54/64/974005464.db2.gz YDHISNCQZRRHDP-UHFFFAOYSA-N -1 0 323.392 3.584 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000425249396 974041095 /nfs/dbraw/zinc/04/10/95/974041095.db2.gz TXYPNKUNPBOUKX-ZMSDIMECSA-N -1 0 317.429 3.562 20 0 DHADRM CCCn1ccc2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc21 ZINC001603701509 974099521 /nfs/dbraw/zinc/09/95/21/974099521.db2.gz MMDLCOXMTRJVFX-HNNXBMFYSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000439794096 974109859 /nfs/dbraw/zinc/10/98/59/974109859.db2.gz QNOSUOUIYOAMDK-SECBINFHSA-N -1 0 321.735 3.668 20 0 DHADRM CC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478836975 974209177 /nfs/dbraw/zinc/20/91/77/974209177.db2.gz JDMCZWIAYKSVIS-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478850678 974211777 /nfs/dbraw/zinc/21/17/77/974211777.db2.gz HFLYIZHSUPKVAB-UHFFFAOYSA-N -1 0 309.381 3.811 20 0 DHADRM 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CC(C)Oc1ccc(NC(=O)C2CCCCC2)c(C(=O)[O-])c1 ZINC001591780470 975945378 /nfs/dbraw/zinc/94/53/78/975945378.db2.gz ILGWMCJSDZEUBQ-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(C(=O)[O-])c1 ZINC001591780473 975945396 /nfs/dbraw/zinc/94/53/96/975945396.db2.gz INLFTGJWCXOPLA-AWEZNQCLSA-N -1 0 317.385 3.691 20 0 DHADRM CCCc1cccc(C(C)C)c1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663353732 975948088 /nfs/dbraw/zinc/94/80/88/975948088.db2.gz ABWPIIALHIQERR-UHFFFAOYSA-N -1 0 318.417 3.749 20 0 DHADRM CC(C)Oc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c(F)c1 ZINC001591788736 975976225 /nfs/dbraw/zinc/97/62/25/975976225.db2.gz UUMAYITYMGZHOH-LALPHHSUSA-N -1 0 309.381 3.914 20 0 DHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C2)cc1 ZINC000668300720 975991030 /nfs/dbraw/zinc/99/10/30/975991030.db2.gz UHWQQTVNDVAUBL-HOCLYGCPSA-N -1 0 317.429 3.590 20 0 DHADRM CC(C)Oc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591795829 976003439 /nfs/dbraw/zinc/00/34/39/976003439.db2.gz OCNCUVZPSVNREV-UHFFFAOYSA-N -1 0 303.333 3.923 20 0 DHADRM CC(C)Oc1cccnc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001591803568 976024526 /nfs/dbraw/zinc/02/45/26/976024526.db2.gz KMYDUANZAOFACF-UHFFFAOYSA-N -1 0 320.776 3.833 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000678975753 976033275 /nfs/dbraw/zinc/03/32/75/976033275.db2.gz NIRAFDOXLCEZEH-OLZOCXBDSA-N -1 0 315.394 3.805 20 0 DHADRM CCn1c(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000678979486 976033953 /nfs/dbraw/zinc/03/39/53/976033953.db2.gz FDNZNOPFZSRLHM-UHFFFAOYSA-N -1 0 320.776 3.729 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC000681364301 976060266 /nfs/dbraw/zinc/06/02/66/976060266.db2.gz JPVCWVPZJAFUHD-OAHLLOKOSA-N -1 0 307.365 3.613 20 0 DHADRM CC(C)c1[nH]c(CNc2cnc3c(c2)CCCC3)cc1C(=O)[O-] ZINC001591918003 976379961 /nfs/dbraw/zinc/37/99/61/976379961.db2.gz JOTDKCHZFRQAEK-UHFFFAOYSA-N -1 0 313.401 3.722 20 0 DHADRM CC(C)c1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1ccccc1 ZINC001591922619 976396454 /nfs/dbraw/zinc/39/64/54/976396454.db2.gz AJPJNVBTRKSKED-UHFFFAOYSA-N -1 0 324.384 3.634 20 0 DHADRM CC(C)c1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cn1 ZINC001591942791 976472541 /nfs/dbraw/zinc/47/25/41/976472541.db2.gz JNRCVKXOERMCET-UHFFFAOYSA-N -1 0 318.417 3.503 20 0 DHADRM CC(C)c1ccc(CCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001591953370 976518027 /nfs/dbraw/zinc/51/80/27/976518027.db2.gz ZMAIYHLTDXGHHW-QGZVFWFLSA-N -1 0 317.429 3.598 20 0 DHADRM CC(C)c1ccc(NC(=O)[C@@H]2CCOC(C)(C)C2)c(C(=O)[O-])c1 ZINC001591963155 976553356 /nfs/dbraw/zinc/55/33/56/976553356.db2.gz WYRYTYOGSDHBJE-CYBMUJFWSA-N -1 0 319.401 3.652 20 0 DHADRM CC(C)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591966244 976562269 /nfs/dbraw/zinc/56/22/69/976562269.db2.gz YDDXBUAWRVWMCR-INIZCTEOSA-N -1 0 318.417 3.965 20 0 DHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(C(=O)[O-])c1)C2 ZINC001591974028 976583708 /nfs/dbraw/zinc/58/37/08/976583708.db2.gz OJKRUCFXQXQMGE-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1ccc2occ(C(=O)OC3CC(CC(=O)[O-])C3)c2c1 ZINC001591981725 976598825 /nfs/dbraw/zinc/59/88/25/976598825.db2.gz ZXSVWHWZTNKMQZ-UHFFFAOYSA-N -1 0 316.353 3.966 20 0 DHADRM CC(C)c1cccc(NC(=S)NCCCCCC(=O)[O-])c1 ZINC001591992256 976624065 /nfs/dbraw/zinc/62/40/65/976624065.db2.gz UDPJTYIYBCOLRN-UHFFFAOYSA-N -1 0 308.447 3.741 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591993993 976626781 /nfs/dbraw/zinc/62/67/81/976626781.db2.gz FKLLINMCOSQFGV-UHFFFAOYSA-N -1 0 315.344 3.924 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591995209 976640230 /nfs/dbraw/zinc/64/02/30/976640230.db2.gz UZBAWHFDGWRJCP-UHFFFAOYSA-N -1 0 311.381 3.714 20 0 DHADRM CC(C)c1cnc(SCc2ccoc2C(=O)[O-])n1C1CC1 ZINC001592003199 976659130 /nfs/dbraw/zinc/65/91/30/976659130.db2.gz ZIUHMNGPGCCHHQ-UHFFFAOYSA-N -1 0 306.387 3.925 20 0 DHADRM CC(C)c1nc(NC(=O)[C@H]2CCC(C)(C)C2)sc1C(=O)[O-] ZINC001592021920 976717158 /nfs/dbraw/zinc/71/71/58/976717158.db2.gz IYIACOIIBZJNGG-VIFPVBQESA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1nc(NC2CCC(C(=O)[O-])CC2)cc(C(C)(C)C)n1 ZINC001592030538 976737293 /nfs/dbraw/zinc/73/72/93/976737293.db2.gz TXHSGIVNIOEVPM-UHFFFAOYSA-N -1 0 319.449 3.953 20 0 DHADRM CC(C)c1nnc(CNc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC001592059809 976799612 /nfs/dbraw/zinc/79/96/12/976799612.db2.gz IRHVGAQFCFYEME-UHFFFAOYSA-N -1 0 311.794 3.625 20 0 DHADRM CC(C)c1sc(NC(=O)[C@]2(C)CCC[C@H]2C)nc1C(=O)[O-] ZINC001592107896 976889429 /nfs/dbraw/zinc/88/94/29/976889429.db2.gz IIQPGDFUDPZGIY-RFAUZJTJSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)n1ccnc1S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001592144151 976993708 /nfs/dbraw/zinc/99/37/08/976993708.db2.gz CCGFYHBVUAIGFP-CYBMUJFWSA-N -1 0 324.833 3.905 20 0 DHADRM CC(C)n1cncc1/C=C(/C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001592145865 977006826 /nfs/dbraw/zinc/00/68/26/977006826.db2.gz XIXKRPXCAZOOLE-WUXMJOGZSA-N -1 0 319.430 3.843 20 0 DHADRM C[C@H](C1CC1)N(C(=O)Nc1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC001592178232 977079226 /nfs/dbraw/zinc/07/92/26/977079226.db2.gz GHSYSBRBGGIFDQ-SECBINFHSA-N -1 0 322.792 3.833 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001592182366 977117617 /nfs/dbraw/zinc/11/76/17/977117617.db2.gz ZNGZCZCAXPMXJX-GFCCVEGCSA-N -1 0 304.390 3.817 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000317453229 1014386984 /nfs/dbraw/zinc/38/69/84/1014386984.db2.gz TXFNQFUEBIASCO-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1csc(C2CCCCC2)c1 ZINC001592218708 977385685 /nfs/dbraw/zinc/38/56/85/977385685.db2.gz QKSFONRKUSLOEL-AEZGRPFRSA-N -1 0 307.415 3.555 20 0 DHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC001592246548 977475675 /nfs/dbraw/zinc/47/56/75/977475675.db2.gz UWMHMVLJSPDGSW-DDUZABMNSA-N -1 0 309.450 3.743 20 0 DHADRM CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711490528 977551133 /nfs/dbraw/zinc/55/11/33/977551133.db2.gz GODGBVANZFDHAJ-JTQLQIEISA-N -1 0 307.337 3.609 20 0 DHADRM Oc1cc(F)cc(CNc2ccc(N3CCCCC3)nc2)c1 ZINC000317466780 1014421425 /nfs/dbraw/zinc/42/14/25/1014421425.db2.gz BLDWGMOEQVHRHH-UHFFFAOYSA-N -1 0 301.365 3.529 20 0 DHADRM C[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(Cl)cn1 ZINC000580886296 1014421947 /nfs/dbraw/zinc/42/19/47/1014421947.db2.gz DKKBXIWCCXHRCP-SECBINFHSA-N -1 0 308.838 3.839 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1cc(Cl)ccc1Cl ZINC001592367773 977873952 /nfs/dbraw/zinc/87/39/52/977873952.db2.gz UQVQKRNVBDNRKF-SFYZADRCSA-N -1 0 305.157 3.708 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001592375647 977911869 /nfs/dbraw/zinc/91/18/69/977911869.db2.gz OWFXSFHNTXQKDG-ZBFHGGJFSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC001592382014 977922012 /nfs/dbraw/zinc/92/20/12/977922012.db2.gz UQEQIFFDISSMQD-MEDUHNTESA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001592381990 977922080 /nfs/dbraw/zinc/92/20/80/977922080.db2.gz SVAZSFQLRXYCMT-BHYGNILZSA-N -1 0 317.429 3.720 20 0 DHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001592385153 977925335 /nfs/dbraw/zinc/92/53/35/977925335.db2.gz HBTIQKYJVYSUKX-ZBQZNYHESA-N -1 0 317.429 3.563 20 0 DHADRM CC(C)[C@H](OC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001592394265 977943249 /nfs/dbraw/zinc/94/32/49/977943249.db2.gz AWYKFNPUIGOPHR-QFYYESIMSA-N -1 0 314.328 3.706 20 0 DHADRM C[C@H](CC(=O)[O-])SCCc1ccc(OC(F)(F)F)cc1 ZINC001592422399 978036084 /nfs/dbraw/zinc/03/60/84/978036084.db2.gz NYNYHGBJZSHCDN-SECBINFHSA-N -1 0 308.321 3.724 20 0 DHADRM C[C@@H](CC(=O)[O-])c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC001592424409 978045300 /nfs/dbraw/zinc/04/53/00/978045300.db2.gz RDSGTWNLLZDKRA-VIFPVBQESA-N -1 0 308.765 3.627 20 0 DHADRM C[C@@H](OC(=O)C[C@@H](C)c1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001592429609 978056878 /nfs/dbraw/zinc/05/68/78/978056878.db2.gz OCAVYCRRLQNXCP-GHMZBOCLSA-N -1 0 320.316 3.915 20 0 DHADRM C[C@H](CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001592434146 978072394 /nfs/dbraw/zinc/07/23/94/978072394.db2.gz UKBYSBTYMDNGIK-CQSZACIVSA-N -1 0 312.365 3.551 20 0 DHADRM C[C@@H](CC(C)(C)C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001592439726 978093226 /nfs/dbraw/zinc/09/32/26/978093226.db2.gz NPMXLNUDVLDYBU-LBPRGKRZSA-N -1 0 303.402 3.736 20 0 DHADRM C[C@H](CC(C)(C)C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592440465 978096760 /nfs/dbraw/zinc/09/67/60/978096760.db2.gz ZJUMYLRVJFXWMS-SNVBAGLBSA-N -1 0 302.374 3.877 20 0 DHADRM C[C@H](CC1CCC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592459493 978179030 /nfs/dbraw/zinc/17/90/30/978179030.db2.gz MHERGIOUCCPEGY-XFBWCDHKSA-N -1 0 316.401 3.575 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001592465951 978210240 /nfs/dbraw/zinc/21/02/40/978210240.db2.gz PYRBREZCYFDFPA-GFCCVEGCSA-N -1 0 319.401 3.573 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592476789 978238188 /nfs/dbraw/zinc/23/81/88/978238188.db2.gz AVFIXMJBJPKJHA-LBPRGKRZSA-N -1 0 318.417 3.521 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001592477049 978240047 /nfs/dbraw/zinc/24/00/47/978240047.db2.gz DDZHIEMORUXSGY-WQVCFCJDSA-N -1 0 317.429 3.878 20 0 DHADRM C[C@H](CCCC(F)(F)F)OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001592485107 978262006 /nfs/dbraw/zinc/26/20/06/978262006.db2.gz LMZCYTGDTKKXLM-SNVBAGLBSA-N -1 0 318.291 3.592 20 0 DHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736636628 978346534 /nfs/dbraw/zinc/34/65/34/978346534.db2.gz MMZBVXOKQZZEPI-CYBMUJFWSA-N -1 0 320.433 3.551 20 0 DHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736919309 978366558 /nfs/dbraw/zinc/36/65/58/978366558.db2.gz HWESZKGPZZGVEX-LBPRGKRZSA-N -1 0 320.439 3.884 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736986427 978371252 /nfs/dbraw/zinc/37/12/52/978371252.db2.gz WQVQNYUQKGOTMJ-ZBFHGGJFSA-N -1 0 318.417 3.794 20 0 DHADRM CCc1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000737270509 978393554 /nfs/dbraw/zinc/39/35/54/978393554.db2.gz WJVUPCBFLVCWJV-UHFFFAOYSA-N -1 0 300.383 3.756 20 0 DHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001592539674 978419892 /nfs/dbraw/zinc/41/98/92/978419892.db2.gz LQMSIWYTUHRRLF-SNVBAGLBSA-N -1 0 321.373 3.793 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738148627 978486883 /nfs/dbraw/zinc/48/68/83/978486883.db2.gz BUULNBJVNVUXKL-LBPRGKRZSA-N -1 0 313.357 3.684 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000738539971 978553243 /nfs/dbraw/zinc/55/32/43/978553243.db2.gz JJNDVWIDCVORKK-LLVKDONJSA-N -1 0 302.301 3.541 20 0 DHADRM O=C(/C=C\c1nc2ccccc2s1)Nc1ccc(C(=O)[O-])cc1 ZINC000746337620 978682194 /nfs/dbraw/zinc/68/21/94/978682194.db2.gz GISHZESBYORERI-KTKRTIGZSA-N -1 0 324.361 3.646 20 0 DHADRM CC(C)C[C@H](NC(=O)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000753966467 978695460 /nfs/dbraw/zinc/69/54/60/978695460.db2.gz ABYMEROXYSRBQE-AWEZNQCLSA-N -1 0 311.809 3.798 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC000761640323 978712578 /nfs/dbraw/zinc/71/25/78/978712578.db2.gz CGRBCTZRKBWWEU-ZALBZXLWSA-N -1 0 309.450 3.599 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccc(Cl)cc1 ZINC000761909240 978715902 /nfs/dbraw/zinc/71/59/02/978715902.db2.gz DJJXJPXGINFMTO-BENRWUELSA-N -1 0 323.820 3.893 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1(C)C ZINC000766846112 978727156 /nfs/dbraw/zinc/72/71/56/978727156.db2.gz JQOOZTFSTOCNQR-GDBMZVCRSA-N -1 0 313.397 3.512 20 0 DHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000767075306 978733039 /nfs/dbraw/zinc/73/30/39/978733039.db2.gz XEOQRDINTDOCJU-FMIVXFBMSA-N -1 0 313.328 3.874 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C ZINC000767202570 978736503 /nfs/dbraw/zinc/73/65/03/978736503.db2.gz VGUYDWJZWHZSNV-TZMCWYRMSA-N -1 0 305.349 3.701 20 0 DHADRM Cc1cc(CNc2cc(C(=O)[O-])c(C)cc2C)cnc1Cl ZINC000789902162 978797960 /nfs/dbraw/zinc/79/79/60/978797960.db2.gz LPRNPCXPZWDOBT-UHFFFAOYSA-N -1 0 304.777 3.971 20 0 DHADRM CCc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811811356 978855875 /nfs/dbraw/zinc/85/58/75/978855875.db2.gz AKZUQLDARCFDSX-UHFFFAOYSA-N -1 0 303.745 3.853 20 0 DHADRM CCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811812441 978856011 /nfs/dbraw/zinc/85/60/11/978856011.db2.gz RRPBVUBBPQAGQA-UHFFFAOYSA-N -1 0 317.772 3.701 20 0 DHADRM CCOc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811814697 978857669 /nfs/dbraw/zinc/85/76/69/978857669.db2.gz QRSRBLUCDJGQJM-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM CC(C)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811816715 978860852 /nfs/dbraw/zinc/86/08/52/978860852.db2.gz FVZVTOUGDILHOW-NSHDSACASA-N -1 0 309.793 3.546 20 0 DHADRM Cc1cccc2c1CCN2C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820263 978864932 /nfs/dbraw/zinc/86/49/32/978864932.db2.gz UBAWMPQSUXALPZ-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM Cc1cccc2c1N(C(=O)c1cc(C(=O)[O-])ccc1Cl)CC2 ZINC000811821428 978865457 /nfs/dbraw/zinc/86/54/57/978865457.db2.gz FEJVDVGZXJJXEW-UHFFFAOYSA-N -1 0 315.756 3.550 20 0 DHADRM CC(C)N(CC1CCC1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828258752 978977430 /nfs/dbraw/zinc/97/74/30/978977430.db2.gz IDWNFELKUVMOPT-UHFFFAOYSA-N -1 0 309.793 3.689 20 0 DHADRM C[C@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001592674298 979084623 /nfs/dbraw/zinc/08/46/23/979084623.db2.gz GLRPIRWEMYGYFH-LLVKDONJSA-N -1 0 312.369 3.706 20 0 DHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)C(C)(C)C ZINC001595033482 979176220 /nfs/dbraw/zinc/17/62/20/979176220.db2.gz LCWMOZIVZSTTNJ-CJNGLKHVSA-N -1 0 323.408 3.838 20 0 DHADRM C[C@H](CNc1cccc(CC(=O)[O-])n1)c1cccc(Cl)c1 ZINC001592728841 979238775 /nfs/dbraw/zinc/23/87/75/979238775.db2.gz GKIFKDUTMNPELK-LLVKDONJSA-N -1 0 304.777 3.578 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000840943559 979281013 /nfs/dbraw/zinc/28/10/13/979281013.db2.gz DWKVJPBZSYCRML-JTQLQIEISA-N -1 0 303.383 3.751 20 0 DHADRM CCC(CC)(CCOC(=O)c1ccc2nc(C)oc2c1)C(=O)[O-] ZINC001595059847 979311172 /nfs/dbraw/zinc/31/11/72/979311172.db2.gz SJOAOPWNBYDRMG-UHFFFAOYSA-N -1 0 319.357 3.574 20 0 DHADRM Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1N1CCCC1 ZINC000842565293 979319220 /nfs/dbraw/zinc/31/92/20/979319220.db2.gz DJYLCRHPZUYYLR-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM C[C@@H](COC(=O)c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001592771166 979385547 /nfs/dbraw/zinc/38/55/47/979385547.db2.gz BFOMMFFTXQKXIU-VIFPVBQESA-N -1 0 308.717 3.592 20 0 DHADRM O=C([O-])CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000844245770 979390766 /nfs/dbraw/zinc/39/07/66/979390766.db2.gz ZGXWEMSWRXXXEF-QGZVFWFLSA-N -1 0 323.820 3.942 20 0 DHADRM CCC(CC)[C@@H](CCNc1ncc(C(=O)[O-])cc1Cl)OC ZINC001595106569 979434259 /nfs/dbraw/zinc/43/42/59/979434259.db2.gz RQPDAFVKGYCTCK-CYBMUJFWSA-N -1 0 314.813 3.686 20 0 DHADRM CCC(CC)N(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595114470 979465254 /nfs/dbraw/zinc/46/52/54/979465254.db2.gz OWQMVSDPDKUANL-UHFFFAOYSA-N -1 0 306.406 3.746 20 0 DHADRM CCC(CC)N(C(=O)Nc1cccc(F)c1C(=O)[O-])C1CC1 ZINC001595114650 979466342 /nfs/dbraw/zinc/46/63/42/979466342.db2.gz VVMGQFRVXCVPTL-UHFFFAOYSA-N -1 0 308.353 3.709 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001595125659 979509016 /nfs/dbraw/zinc/50/90/16/979509016.db2.gz FOSSQHUKSQDIRN-FVQBIDKESA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595126536 979519042 /nfs/dbraw/zinc/51/90/42/979519042.db2.gz WOEFUGZNOUHUSY-VKJFTORMSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001595126696 979520688 /nfs/dbraw/zinc/52/06/88/979520688.db2.gz YYDDIWXJHUMZDM-KSSFIOAISA-N -1 0 309.450 3.743 20 0 DHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC3(CCCC3)CC2)o1 ZINC000851616530 979538807 /nfs/dbraw/zinc/53/88/07/979538807.db2.gz QIUYZBOPFREQRC-FNORWQNLSA-N -1 0 317.385 3.564 20 0 DHADRM C[C@H](CSCc1ccc(Cl)nc1C(F)(F)F)C(=O)[O-] ZINC001592825360 979542312 /nfs/dbraw/zinc/54/23/12/979542312.db2.gz FQZCHIBOOFUJCE-ZCFIWIBFSA-N -1 0 313.728 3.708 20 0 DHADRM CCCCCC[C@H](CC)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000851620898 979551487 /nfs/dbraw/zinc/55/14/87/979551487.db2.gz VNLUCELLNWBLDZ-ZDUSSCGKSA-N -1 0 323.437 3.638 20 0 DHADRM CC[C@H](CNC(=O)C1(C2CCCCC2)CCCCC1)C(=O)[O-] ZINC001595138383 979581721 /nfs/dbraw/zinc/58/17/21/979581721.db2.gz ICDWXUNYLQHTJF-CQSZACIVSA-N -1 0 309.450 3.744 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)NCCCCC1CCCC1 ZINC000262152691 1014588234 /nfs/dbraw/zinc/58/82/34/1014588234.db2.gz JRUWBDQVXTVTFX-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000856993043 979620586 /nfs/dbraw/zinc/62/05/86/979620586.db2.gz IGKBEEITYLEXCY-SNVBAGLBSA-N -1 0 322.430 3.545 20 0 DHADRM CC(C)[C@@H]1C[C@@H](Nc2ccc(C(C)(C)C(=O)[O-])cc2)CS1 ZINC000859811066 979641271 /nfs/dbraw/zinc/64/12/71/979641271.db2.gz YNMQAKJLDPLHFW-CABCVRRESA-N -1 0 307.459 3.991 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1)C(=O)[O-] ZINC001592858123 979668572 /nfs/dbraw/zinc/66/85/72/979668572.db2.gz OMIPURHUROBMRT-SWLSCSKDSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000864102924 979688070 /nfs/dbraw/zinc/68/80/70/979688070.db2.gz QPDWZYDXTZKMPQ-UHFFFAOYSA-N -1 0 323.392 3.713 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000864126255 979726073 /nfs/dbraw/zinc/72/60/73/979726073.db2.gz GCBMKBQMKCPGHQ-MGPQQGTHSA-N -1 0 323.820 3.654 20 0 DHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCC12CC2)c1cccc(Cl)c1 ZINC000864126357 979726549 /nfs/dbraw/zinc/72/65/49/979726549.db2.gz GWKFXPPOFXEJJF-KGLIPLIRSA-N -1 0 321.804 3.552 20 0 DHADRM CC[C@@H](CNc1cc(COC)cc(C(=O)[O-])c1)CC(F)F ZINC001595172507 979742558 /nfs/dbraw/zinc/74/25/58/979742558.db2.gz GKKLHEVOWQSQJU-SNVBAGLBSA-N -1 0 301.333 3.625 20 0 DHADRM Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000864143322 979748034 /nfs/dbraw/zinc/74/80/34/979748034.db2.gz HYINDMLZJPPBAG-AWEZNQCLSA-N -1 0 315.394 3.562 20 0 DHADRM O=C(C=C(C1CC1)C1CC1)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000864161680 979777977 /nfs/dbraw/zinc/77/79/77/979777977.db2.gz ZZQLYSHAAVNVIB-UHFFFAOYSA-N -1 0 310.353 3.551 20 0 DHADRM CC(C)c1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000864174518 979811530 /nfs/dbraw/zinc/81/15/30/979811530.db2.gz SQOAYDBCJCJOOH-KRWDZBQOSA-N -1 0 317.429 3.821 20 0 DHADRM C[C@H]1CC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@H](C)C1 ZINC000864177568 979822643 /nfs/dbraw/zinc/82/26/43/979822643.db2.gz OQVGRPZUVIDDKD-NXEZZACHSA-N -1 0 309.793 3.593 20 0 DHADRM CC(C)n1ccc(C[C@H](C)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC001592901939 979824074 /nfs/dbraw/zinc/82/40/74/979824074.db2.gz BDSXDAZDVRNXGP-UONOGXRCSA-N -1 0 315.417 3.695 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1 ZINC000864178748 979824546 /nfs/dbraw/zinc/82/45/46/979824546.db2.gz BNRYAPVRNVCDOJ-NQHOJNORSA-N -1 0 301.386 3.512 20 0 DHADRM CC(C)n1ccc(C[C@@H](C)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001592901937 979824906 /nfs/dbraw/zinc/82/49/06/979824906.db2.gz BDSXDAZDVRNXGP-KGLIPLIRSA-N -1 0 315.417 3.695 20 0 DHADRM CC(C)c1ccc(CCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864198463 979869686 /nfs/dbraw/zinc/86/96/86/979869686.db2.gz WYKZSEFSXNEWNS-LJQANCHMSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000864586527 979945826 /nfs/dbraw/zinc/94/58/26/979945826.db2.gz SNLSGMFPTXBGSM-BETUJISGSA-N -1 0 318.417 3.918 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595211147 979988960 /nfs/dbraw/zinc/98/89/60/979988960.db2.gz QGSYGEDZCWPOOK-CYBMUJFWSA-N -1 0 317.410 3.962 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C ZINC000096659572 1014618850 /nfs/dbraw/zinc/61/88/50/1014618850.db2.gz KUKVOTMASHWPKV-UHFFFAOYSA-N -1 0 319.426 3.891 20 0 DHADRM CC(F)(F)c1cccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001592943734 980016620 /nfs/dbraw/zinc/01/66/20/980016620.db2.gz BMZLAADFCVJIEJ-WDEREUQCSA-N -1 0 322.311 3.817 20 0 DHADRM CC[C@@](NC(=O)C1CC(C(C)(C)C)C1)(C(=O)[O-])c1ccccc1 ZINC001595236820 980139915 /nfs/dbraw/zinc/13/99/15/980139915.db2.gz OGNYQBBCGGFQGI-XBMPDCEQSA-N -1 0 317.429 3.565 20 0 DHADRM CCc1[nH]nc(Cl)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000900039593 980238803 /nfs/dbraw/zinc/23/88/03/980238803.db2.gz YXLPKUAPNPGCJH-UHFFFAOYSA-N -1 0 321.808 3.600 20 0 DHADRM CC(=O)c1c(Cl)cccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000900963487 980254796 /nfs/dbraw/zinc/25/47/96/980254796.db2.gz YUXGBWKCAOHYJM-LBPRGKRZSA-N -1 0 309.793 3.624 20 0 DHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595258522 980256410 /nfs/dbraw/zinc/25/64/10/980256410.db2.gz RPNCHNZPBNUYHF-INIZCTEOSA-N -1 0 312.369 3.966 20 0 DHADRM O=C([O-])c1cnc(N[C@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000900989663 980258235 /nfs/dbraw/zinc/25/82/35/980258235.db2.gz BTZVXPPNTYDKRJ-AWEZNQCLSA-N -1 0 317.776 3.782 20 0 DHADRM CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1OC ZINC001595278425 980310807 /nfs/dbraw/zinc/31/08/07/980310807.db2.gz DWUYHICXGCPYGD-BXUZGUMPSA-N -1 0 303.358 3.788 20 0 DHADRM CC[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001595281103 980329786 /nfs/dbraw/zinc/32/97/86/980329786.db2.gz IKVJNDQTWBZZBF-GWCFXTLKSA-N -1 0 320.414 3.652 20 0 DHADRM CC[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001595281105 980330142 /nfs/dbraw/zinc/33/01/42/980330142.db2.gz IKVJNDQTWBZZBF-MFKMUULPSA-N -1 0 320.414 3.652 20 0 DHADRM Cc1ccc(CCCNc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000901513517 980330356 /nfs/dbraw/zinc/33/03/56/980330356.db2.gz NJGKCCZOFXNINI-UHFFFAOYSA-N -1 0 312.413 3.797 20 0 DHADRM CC(C)(C)[C@H]1C[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000901539011 980366052 /nfs/dbraw/zinc/36/60/52/980366052.db2.gz GCGGWOGQRPAUCV-MLGOLLRUSA-N -1 0 316.401 3.872 20 0 DHADRM CC[C@](NCc1ccc(SC)s1)(C(=O)[O-])c1ccccc1 ZINC000901652413 980429941 /nfs/dbraw/zinc/42/99/41/980429941.db2.gz RNWTZQFKMJUYOM-MRXNPFEDSA-N -1 0 321.467 3.950 20 0 DHADRM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1F ZINC001595300731 980435502 /nfs/dbraw/zinc/43/55/02/980435502.db2.gz SGUPHIVTJAKRRQ-AWEZNQCLSA-N -1 0 322.767 3.813 20 0 DHADRM CC[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595301071 980437034 /nfs/dbraw/zinc/43/70/34/980437034.db2.gz WBTGOMZQTNBQQA-QKIRZYONSA-N -1 0 321.323 3.897 20 0 DHADRM CC[C@@H](Nc1cc2c(cc1C)OCO2)c1ccc(C(=O)[O-])cc1 ZINC001595316291 980482785 /nfs/dbraw/zinc/48/27/85/980482785.db2.gz CRYRMBGBOFJARP-CQSZACIVSA-N -1 0 313.353 3.985 20 0 DHADRM CC[C@H](Nc1cccc2cc(C(=O)[O-])sc21)[C@H]1CCOC1 ZINC001595317805 980496588 /nfs/dbraw/zinc/49/65/88/980496588.db2.gz AWKBCNAJXIVFKZ-RYUDHWBXSA-N -1 0 305.399 3.827 20 0 DHADRM O=C([O-])[C@H](CC1CCCCC1)NCc1nc2c(s1)CCCC2 ZINC000901772595 980502909 /nfs/dbraw/zinc/50/29/09/980502909.db2.gz UMIYWWABYKCZIH-AWEZNQCLSA-N -1 0 322.474 3.535 20 0 DHADRM COc1ccc(OC)c(CNc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000901818538 980538243 /nfs/dbraw/zinc/53/82/43/980538243.db2.gz 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CC(C)(C)[C@@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000901944372 980643733 /nfs/dbraw/zinc/64/37/33/980643733.db2.gz JGNZUFKGGORLMM-NXOAAHMSSA-N -1 0 317.429 3.880 20 0 DHADRM CCO[C@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C12CCC2 ZINC000901946818 980644484 /nfs/dbraw/zinc/64/44/84/980644484.db2.gz VRGSMJNYEYVHDP-HZMVEIRTSA-N -1 0 315.413 3.634 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ccncc2Cl)cc1 ZINC000901946642 980644580 /nfs/dbraw/zinc/64/45/80/980644580.db2.gz HBEVVFZJGNJDBU-UONOGXRCSA-N -1 0 302.761 3.535 20 0 DHADRM CC[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595348746 980648886 /nfs/dbraw/zinc/64/88/86/980648886.db2.gz ZAXJUUHUTHMREA-QGZVFWFLSA-N -1 0 312.365 3.930 20 0 DHADRM CC[C@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595348775 980649400 /nfs/dbraw/zinc/64/94/00/980649400.db2.gz ZZQVATCQNSWCAI-KRWDZBQOSA-N -1 0 312.365 3.930 20 0 DHADRM CC[C@@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595348776 980649422 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CC[C@H](c1ccccc1)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001595363984 980789271 /nfs/dbraw/zinc/78/92/71/980789271.db2.gz LPJRWPZLSWFECP-PUJMQQBBSA-N -1 0 313.401 3.636 20 0 DHADRM CC(C)[C@@H](NCc1cc(C(=O)[O-])no1)c1ccccc1Cl ZINC000902267170 980808529 /nfs/dbraw/zinc/80/85/29/980808529.db2.gz CMHZYOQQYPIJMR-CQSZACIVSA-N -1 0 308.765 3.513 20 0 DHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1O[C@H]1CCOC1 ZINC000902334758 980837305 /nfs/dbraw/zinc/83/73/05/980837305.db2.gz AGHVHQGJKGDHCE-KGLIPLIRSA-N -1 0 321.417 3.546 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OCC(F)F ZINC000902370365 980858337 /nfs/dbraw/zinc/85/83/37/980858337.db2.gz POWYHMNNIGWAMJ-UTUOFQBUSA-N -1 0 313.344 3.632 20 0 DHADRM Cc1cc(CNC2(c3ccccc3F)CCC2)oc1C(=O)[O-] ZINC000902373334 980860014 /nfs/dbraw/zinc/86/00/14/980860014.db2.gz QAQRYGQVGXZTFW-UHFFFAOYSA-N -1 0 303.333 3.594 20 0 DHADRM CCC1(CC)[C@H](Nc2cccc([C@@H](C)C(=O)[O-])c2)C[C@@H]1OC ZINC001595374037 980879440 /nfs/dbraw/zinc/87/94/40/980879440.db2.gz SXNSOWZAEPWHMS-WQVCFCJDSA-N -1 0 305.418 3.880 20 0 DHADRM CCC1(CC)CCC(NC(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001595374853 980888648 /nfs/dbraw/zinc/88/86/48/980888648.db2.gz YSQSERZDNFTKCJ-UHFFFAOYSA-N -1 0 317.429 3.793 20 0 DHADRM CCC1(CC)CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001595375035 980891118 /nfs/dbraw/zinc/89/11/18/980891118.db2.gz MNBMNSHOPLYLDR-UHFFFAOYSA-N -1 0 309.793 3.691 20 0 DHADRM CCC1(CC)CN(C(=O)Nc2cccc(C(=O)[O-])c2)CCS1 ZINC001595375409 980895277 /nfs/dbraw/zinc/89/52/77/980895277.db2.gz JQASOTZGAVYEQS-UHFFFAOYSA-N -1 0 322.430 3.524 20 0 DHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC001595376998 980910133 /nfs/dbraw/zinc/91/01/33/980910133.db2.gz WJNWZJUOIDEVFE-BEFAXECRSA-N -1 0 317.429 3.501 20 0 DHADRM CCC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCC1 ZINC001595378497 980914479 /nfs/dbraw/zinc/91/44/79/980914479.db2.gz CPGIHHWUHNCHJA-LSDHHAIUSA-N -1 0 316.401 3.577 20 0 DHADRM CCC1(NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCC1 ZINC001595390527 980946716 /nfs/dbraw/zinc/94/67/16/980946716.db2.gz HKWAIAYQNWIRSG-UHFFFAOYSA-N -1 0 314.744 3.632 20 0 DHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595404540 980982249 /nfs/dbraw/zinc/98/22/49/980982249.db2.gz IQVSONIYXIKLKN-LDYMZIIASA-N -1 0 310.419 3.715 20 0 DHADRM CCC1CCC(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)(C(=O)[O-])CC1 ZINC001595420633 981037275 /nfs/dbraw/zinc/03/72/75/981037275.db2.gz DOOMGRDMGMBDRP-ILLSTFQVSA-N -1 0 309.450 3.599 20 0 DHADRM CCC1CCC(NC(=O)c2ccc(C3CC3)cc2)(C(=O)[O-])CC1 ZINC001595424857 981044157 /nfs/dbraw/zinc/04/41/57/981044157.db2.gz SJPLFHNWXCAYAY-UHFFFAOYSA-N -1 0 315.413 3.717 20 0 DHADRM CCC1CCC(c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC001595431182 981051743 /nfs/dbraw/zinc/05/17/43/981051743.db2.gz JKVHSEXZAUARQO-UHFFFAOYSA-N -1 0 300.358 3.717 20 0 DHADRM O=C([O-])c1c(Cl)ccc(Nc2nc(F)ccc2F)c1F ZINC001215696504 1014702876 /nfs/dbraw/zinc/70/28/76/1014702876.db2.gz RMUYWXOJXIJOSW-UHFFFAOYSA-N -1 0 302.639 3.594 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001595435003 981061688 /nfs/dbraw/zinc/06/16/88/981061688.db2.gz DQRQSUUTRFAMLB-XJKSGUPXSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435199 981063452 /nfs/dbraw/zinc/06/34/52/981063452.db2.gz HUSRANRIPUTFHM-VNQPRFMTSA-N -1 0 317.429 3.781 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595435453 981065005 /nfs/dbraw/zinc/06/50/05/981065005.db2.gz JVCMWGMYQKRYQP-TZMCWYRMSA-N -1 0 319.401 3.937 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595442329 981082266 /nfs/dbraw/zinc/08/22/66/981082266.db2.gz ZBOJOQMUTMHBQB-ALKREAHSSA-N -1 0 317.429 3.709 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595443950 981085047 /nfs/dbraw/zinc/08/50/47/981085047.db2.gz FYADMTZVJBWECZ-MNOVXSKESA-N -1 0 310.419 3.845 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCC=CCCC2)cc1 ZINC000905006246 981085656 /nfs/dbraw/zinc/08/56/56/981085656.db2.gz NDMQBONNNJEEHY-HIFRSBDPSA-N -1 0 301.386 3.950 20 0 DHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001595444292 981087391 /nfs/dbraw/zinc/08/73/91/981087391.db2.gz MJSPWLWLIFLUCR-NHYWBVRUSA-N -1 0 322.380 3.956 20 0 DHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001595444291 981087733 /nfs/dbraw/zinc/08/77/33/981087733.db2.gz MJSPWLWLIFLUCR-IAQYHMDHSA-N -1 0 322.380 3.956 20 0 DHADRM CCc1oc(CN[C@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000905726377 981124631 /nfs/dbraw/zinc/12/46/31/981124631.db2.gz BNJNVXHROCNNED-SECBINFHSA-N -1 0 309.312 3.669 20 0 DHADRM CC(C)(NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1F ZINC000905727561 981126350 /nfs/dbraw/zinc/12/63/50/981126350.db2.gz JLGBNGIPBLSVMW-UHFFFAOYSA-N -1 0 322.767 3.597 20 0 DHADRM CC(C)(C)OCc1cccc(NCc2cc(C(=O)[O-])co2)c1 ZINC000905749793 981137811 /nfs/dbraw/zinc/13/78/11/981137811.db2.gz BPEUFDDIUOMNJU-UHFFFAOYSA-N -1 0 303.358 3.905 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(-c2ccon2)c1 ZINC000905769353 981146883 /nfs/dbraw/zinc/14/68/83/981146883.db2.gz GLIFVYOALDKVAU-JMSVASOKSA-N -1 0 300.358 3.643 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)CC(C)(C)CC(=O)[O-] ZINC001595468069 981158754 /nfs/dbraw/zinc/15/87/54/981158754.db2.gz MMAQKLCMCUYTJU-CQSZACIVSA-N -1 0 303.402 3.635 20 0 DHADRM CC[C@H]1CCc2ccccc2N1C(=O)c1oc(C(=O)[O-])cc1C ZINC001595468430 981162840 /nfs/dbraw/zinc/16/28/40/981162840.db2.gz VVDNISNVSOXXJE-ZDUSSCGKSA-N -1 0 313.353 3.658 20 0 DHADRM Cc1ccc(C)c(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907554486 981187776 /nfs/dbraw/zinc/18/77/76/981187776.db2.gz MHHUBOYVOGEWLU-BEFAXECRSA-N -1 0 309.365 3.500 20 0 DHADRM CC[C@H]1CN(CCC(C)(C)C(=O)[O-])c2cccc(Cl)c2O1 ZINC001595488780 981237125 /nfs/dbraw/zinc/23/71/25/981237125.db2.gz RIPMKXPWTMXIPG-NSHDSACASA-N -1 0 311.809 3.818 20 0 DHADRM CC[C@H]1CN(c2c(Cl)cc(Cl)cc2C(=O)[O-])CCCO1 ZINC001595491995 981252454 /nfs/dbraw/zinc/25/24/54/981252454.db2.gz HDRIGCABTHQKDV-JTQLQIEISA-N -1 0 318.200 3.697 20 0 DHADRM CC(C)[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1F ZINC000656487744 1014719116 /nfs/dbraw/zinc/71/91/16/1014719116.db2.gz YTVOJNVWHDJXQZ-QGZVFWFLSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595504225 981277546 /nfs/dbraw/zinc/27/75/46/981277546.db2.gz HQEAIIHQHGXFDQ-QGZVFWFLSA-N -1 0 324.380 3.813 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595504875 981279943 /nfs/dbraw/zinc/27/99/43/981279943.db2.gz RFEXPAGSJLJPDO-MRXNPFEDSA-N -1 0 313.328 3.631 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)NCCCCCCC(=O)[O-] ZINC001595504973 981280433 /nfs/dbraw/zinc/28/04/33/981280433.db2.gz SLIHNOKCSMTJLZ-MRXNPFEDSA-N -1 0 318.417 3.698 20 0 DHADRM CC/C=C(/F)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595507948 981294838 /nfs/dbraw/zinc/29/48/38/981294838.db2.gz PPSRAFTYQXPGBO-SXSSENBOSA-N -1 0 321.392 3.880 20 0 DHADRM COc1c(NC(=O)c2cc(C(C)C)oc2C)cccc1C(=O)[O-] ZINC000908499380 981318645 /nfs/dbraw/zinc/31/86/45/981318645.db2.gz AAZYSXGYMUYMQC-UHFFFAOYSA-N -1 0 317.341 3.671 20 0 DHADRM CCCc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)ccc1Cl ZINC000908674500 981337539 /nfs/dbraw/zinc/33/75/39/981337539.db2.gz HEUXSGXWMJOJKD-UHFFFAOYSA-N -1 0 323.820 3.619 20 0 DHADRM CCCC(=CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])CCC ZINC001595521943 981343371 /nfs/dbraw/zinc/34/33/71/981343371.db2.gz FVSGJOCAEUVFJU-MRXNPFEDSA-N -1 0 309.450 3.910 20 0 DHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000908718579 981346365 /nfs/dbraw/zinc/34/63/65/981346365.db2.gz NOQCJUDTRCHBFU-JTQLQIEISA-N -1 0 321.760 3.773 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000908773528 981359852 /nfs/dbraw/zinc/35/98/52/981359852.db2.gz LLYQJKABLQHZNT-LBPRGKRZSA-N -1 0 309.431 3.935 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000908844189 981375843 /nfs/dbraw/zinc/37/58/43/981375843.db2.gz PRUQBYUTBGEPOF-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM CCCC(C)(C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595538113 981389536 /nfs/dbraw/zinc/38/95/36/981389536.db2.gz FMVBQXFPAUADMO-UHFFFAOYSA-N -1 0 300.358 3.698 20 0 DHADRM CCC[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccn1 ZINC001595538006 981389554 /nfs/dbraw/zinc/38/95/54/981389554.db2.gz PNYABRYAUSCZFB-RYUDHWBXSA-N -1 0 317.341 3.561 20 0 DHADRM CCC[C@@H](C(=O)OCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595538598 981393471 /nfs/dbraw/zinc/39/34/71/981393471.db2.gz VSYLZGUYWDYHJN-OAHLLOKOSA-N -1 0 316.353 3.913 20 0 DHADRM CCC[C@@](C)(CC)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595541206 981399966 /nfs/dbraw/zinc/39/99/66/981399966.db2.gz JPSJQCKGYMHZCK-QGZVFWFLSA-N -1 0 318.373 3.815 20 0 DHADRM CC(C)c1ccc2occ(C(=O)N[C@@H](CC(=O)[O-])C3CC3)c2c1 ZINC000909074455 981413810 /nfs/dbraw/zinc/41/38/10/981413810.db2.gz GFABQSMCUYFZQS-HNNXBMFYSA-N -1 0 315.369 3.539 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595567048 981465566 /nfs/dbraw/zinc/46/55/66/981465566.db2.gz VWVKSVXUVKXJRI-IYPOZPNPSA-N -1 0 311.381 3.828 20 0 DHADRM CC/C(C)=C(\C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000909331356 981470087 /nfs/dbraw/zinc/47/00/87/981470087.db2.gz HLRZICQGUXESRX-OUKQBFOZSA-N -1 0 305.374 3.615 20 0 DHADRM CCC[C@@H](C)CCCN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001595570335 981472794 /nfs/dbraw/zinc/47/27/94/981472794.db2.gz BAKGTRHSVUBOFT-WBMJQRKESA-N -1 0 309.381 3.694 20 0 DHADRM CCC[C@@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001595571431 981478769 /nfs/dbraw/zinc/47/87/69/981478769.db2.gz JEYNNRKXELHYGG-SECBINFHSA-N -1 0 310.419 3.874 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595571591 981480622 /nfs/dbraw/zinc/48/06/22/981480622.db2.gz KVKJYUJXARJBCA-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 ZINC000909438054 981493600 /nfs/dbraw/zinc/49/36/00/981493600.db2.gz QQSHWSZBKNOCNO-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM Cc1csc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000909475639 981504343 /nfs/dbraw/zinc/50/43/43/981504343.db2.gz PAVVIPTUHNLQHR-UHFFFAOYSA-N -1 0 317.410 3.564 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001595579155 981505602 /nfs/dbraw/zinc/50/56/02/981505602.db2.gz SRBJLYXWCWXILD-VXGBXAGGSA-N -1 0 309.431 3.512 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000909506225 981514724 /nfs/dbraw/zinc/51/47/24/981514724.db2.gz WRGRIXQNRRPQJC-QZTJIDSGSA-N -1 0 323.392 3.836 20 0 DHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512988 981520007 /nfs/dbraw/zinc/52/00/07/981520007.db2.gz LAUKQFGCNINRDG-KBPBESRZSA-N -1 0 319.401 3.535 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Oc1ccc(C(=O)[O-])c(OC)c1 ZINC001595586183 981529754 /nfs/dbraw/zinc/52/97/54/981529754.db2.gz RFHVAZYGKOSYPM-GFCCVEGCSA-N -1 0 308.374 3.761 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595586414 981531943 /nfs/dbraw/zinc/53/19/43/981531943.db2.gz YWLDCJQCGOAYBR-LBPRGKRZSA-N -1 0 308.374 3.761 20 0 DHADRM CCCC(CCC)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595586582 981533894 /nfs/dbraw/zinc/53/38/94/981533894.db2.gz GJZOXWJNYULQBL-BBRMVZONSA-N -1 0 305.418 3.781 20 0 DHADRM Cc1oc2ccccc2c1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909534455 981534710 /nfs/dbraw/zinc/53/47/10/981534710.db2.gz RFGMJWPGWHOCFX-UGSOOPFHSA-N -1 0 315.369 3.505 20 0 DHADRM CCCC(CCC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001595586956 981537323 /nfs/dbraw/zinc/53/73/23/981537323.db2.gz WNXKXRQFAMKNEJ-PMPSAXMXSA-N -1 0 309.450 3.695 20 0 DHADRM CCCC(CCC)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595586989 981537835 /nfs/dbraw/zinc/53/78/35/981537835.db2.gz XKAVWTCVHFAIHO-UHFFFAOYSA-N -1 0 306.406 3.606 20 0 DHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC001595599876 981574993 /nfs/dbraw/zinc/57/49/93/981574993.db2.gz HIPZFLGIFVEKPB-NSHDSACASA-N -1 0 310.419 3.927 20 0 DHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595604485 981589091 /nfs/dbraw/zinc/58/90/91/981589091.db2.gz JEFUVYPINRQDML-UHFFFAOYSA-N -1 0 321.417 3.662 20 0 DHADRM CCC[C@H](O)CCCSc1nc(Cl)c(C(=O)[O-])s1 ZINC001595609034 981616423 /nfs/dbraw/zinc/61/64/23/981616423.db2.gz NVRUNIVRTUXDGO-ZETCQYMHSA-N -1 0 309.840 3.528 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001594743480 981623632 /nfs/dbraw/zinc/62/36/32/981623632.db2.gz SNQXCETVRMRZFP-KBPBESRZSA-N -1 0 323.820 3.545 20 0 DHADRM CCC[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC001595615162 981634584 /nfs/dbraw/zinc/63/45/84/981634584.db2.gz JGSGDLQUSCKBTR-AWEZNQCLSA-N -1 0 318.373 3.887 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001594747872 981640881 /nfs/dbraw/zinc/64/08/81/981640881.db2.gz MABIAAGBFIUFFR-HOTGVXAUSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594759534 981688269 /nfs/dbraw/zinc/68/82/69/981688269.db2.gz MCBMGQANCIJVEK-LBPRGKRZSA-N -1 0 303.402 3.695 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC001594762647 981699209 /nfs/dbraw/zinc/69/92/09/981699209.db2.gz YMOPXSZIEOWIJV-HNNXBMFYSA-N -1 0 315.394 3.887 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595622415 981709625 /nfs/dbraw/zinc/70/96/25/981709625.db2.gz SQYOPSUFTPSJSS-QAQJPARQSA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595622632 981712909 /nfs/dbraw/zinc/71/29/09/981712909.db2.gz USFRUEOEQNVEBI-UWVGGRQHSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001594768185 981728105 /nfs/dbraw/zinc/72/81/05/981728105.db2.gz PSMKFVBBTRGQBN-ZBFHGGJFSA-N -1 0 301.386 3.629 20 0 DHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001594775831 981761731 /nfs/dbraw/zinc/76/17/31/981761731.db2.gz XKLSUKPQEUEWEQ-HOTGVXAUSA-N -1 0 316.328 3.688 20 0 DHADRM CCCC[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)C ZINC001595627444 981772065 /nfs/dbraw/zinc/77/20/65/981772065.db2.gz FYBKKQQDTRNHLU-HNNXBMFYSA-N -1 0 311.466 3.990 20 0 DHADRM CCCC[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)C ZINC001595627445 981772116 /nfs/dbraw/zinc/77/21/16/981772116.db2.gz FYBKKQQDTRNHLU-OAHLLOKOSA-N -1 0 311.466 3.990 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCC=CCCC1 ZINC001594783379 981794532 /nfs/dbraw/zinc/79/45/32/981794532.db2.gz WSJVKNCMCMBWCX-YJBOKZPZSA-N -1 0 307.434 3.615 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595630807 981826902 /nfs/dbraw/zinc/82/69/02/981826902.db2.gz QTMHXEBCDXYGCJ-AWEZNQCLSA-N -1 0 303.280 3.520 20 0 DHADRM CCCC[C@](C)(F)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595631046 981832221 /nfs/dbraw/zinc/83/22/21/981832221.db2.gz ZLUQBZXGAOOZQN-KRWDZBQOSA-N -1 0 318.348 3.790 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001595631410 981838169 /nfs/dbraw/zinc/83/81/69/981838169.db2.gz PHBAPCATXZZQIA-QMMMGPOBSA-N -1 0 301.745 3.942 20 0 DHADRM CCCC[C@H](C)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595631640 981841263 /nfs/dbraw/zinc/84/12/63/981841263.db2.gz XGDWPRKZWWOHJF-CUZBXDDWSA-N -1 0 306.358 3.525 20 0 DHADRM CCCC[C@H](CC)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595631935 981847464 /nfs/dbraw/zinc/84/74/64/981847464.db2.gz KXYJBPDMZYPLFR-ZDUSSCGKSA-N -1 0 303.402 3.880 20 0 DHADRM CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595632036 981847895 /nfs/dbraw/zinc/84/78/95/981847895.db2.gz PHQCADQEYUUFTQ-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595632030 981848195 /nfs/dbraw/zinc/84/81/95/981848195.db2.gz PFVOWUFTECYBST-JTQLQIEISA-N -1 0 312.435 3.660 20 0 DHADRM CCCC[C@H](CC)C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595632089 981849109 /nfs/dbraw/zinc/84/91/09/981849109.db2.gz RICJALLNHVKQHI-FPAJZGIOSA-N -1 0 320.385 3.915 20 0 DHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000910297284 981850961 /nfs/dbraw/zinc/85/09/61/981850961.db2.gz BIRZOZGRPUVNHO-VHDGCEQUSA-N -1 0 301.386 3.640 20 0 DHADRM CCCC[C@H](CC)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595632318 981853436 /nfs/dbraw/zinc/85/34/36/981853436.db2.gz WBWZYLDOAVHLNP-JTQLQIEISA-N -1 0 310.419 3.553 20 0 DHADRM CCCC[C@@H](CC)COC(=O)CS[C@H](C(=O)[O-])C(C)(C)C ZINC001595632403 981854342 /nfs/dbraw/zinc/85/43/42/981854342.db2.gz GMGQGBLGAHLKGB-TZMCWYRMSA-N -1 0 318.479 3.979 20 0 DHADRM CCC(C)(C)C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001594791938 981855185 /nfs/dbraw/zinc/85/51/85/981855185.db2.gz SKWBQGWKNJKAAJ-UHFFFAOYSA-N -1 0 307.371 3.623 20 0 DHADRM CCCC[C@H](CC)CCCN(C)c1nc(C)cc(C(=O)[O-])n1 ZINC001595632638 981857870 /nfs/dbraw/zinc/85/78/70/981857870.db2.gz LWBRDTUSOBXYQZ-AWEZNQCLSA-N -1 0 307.438 3.916 20 0 DHADRM CCCC[C@H](CC)CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595632716 981859826 /nfs/dbraw/zinc/85/98/26/981859826.db2.gz OETAHIAQOKZGII-ZDUSSCGKSA-N -1 0 324.421 3.644 20 0 DHADRM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001595632740 981859892 /nfs/dbraw/zinc/85/98/92/981859892.db2.gz PKHFKDHQDGBMCN-CQSZACIVSA-N -1 0 320.433 3.848 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)cc(Cl)c1 ZINC001594792339 981860869 /nfs/dbraw/zinc/86/08/69/981860869.db2.gz NWYPJQBNCMFFKE-QGZVFWFLSA-N -1 0 323.820 3.754 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595632917 981862083 /nfs/dbraw/zinc/86/20/83/981862083.db2.gz VSFBBPGZXYQRBI-ZDUSSCGKSA-N -1 0 324.421 3.692 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)NC2(CC(=O)[O-])CC2)CC1 ZINC001594796739 981880592 /nfs/dbraw/zinc/88/05/92/981880592.db2.gz JTWATNLNWIDXNG-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@](C)(CC)CC(=O)[O-])cc1 ZINC001594822397 981974768 /nfs/dbraw/zinc/97/47/68/981974768.db2.gz VYZXUDCTMAVIEO-GOSISDBHSA-N -1 0 305.418 3.747 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC001595651282 982019526 /nfs/dbraw/zinc/01/95/26/982019526.db2.gz DSMGHLGFWFFLQR-OCCSQVGLSA-N -1 0 309.431 3.699 20 0 DHADRM CCCC[C@@H](OC(=O)/C=C/c1ccc(Cl)s1)C(=O)[O-] ZINC001595651439 982021658 /nfs/dbraw/zinc/02/16/58/982021658.db2.gz UJWYBWIJTCITNL-QEHWCHDUSA-N -1 0 302.779 3.601 20 0 DHADRM CC[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)C(C)(C)C ZINC000910648516 982040636 /nfs/dbraw/zinc/04/06/36/982040636.db2.gz LBWOCAZKPAEGEK-SNVBAGLBSA-N -1 0 312.435 3.561 20 0 DHADRM CCCC[C@H](SCC(=O)c1c[nH]c2ccc(F)cc21)C(=O)[O-] ZINC001595654564 982041005 /nfs/dbraw/zinc/04/10/05/982041005.db2.gz DUSBMQYFCBZURT-HNNXBMFYSA-N -1 0 323.389 3.866 20 0 DHADRM O=C([O-])CCc1ccccc1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000910662956 982046115 /nfs/dbraw/zinc/04/61/15/982046115.db2.gz NFXHZXQGKIUOJQ-UHFFFAOYSA-N -1 0 324.380 3.619 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2nccc3ccccc32)CCCC1 ZINC000910668306 982048091 /nfs/dbraw/zinc/04/80/91/982048091.db2.gz MGHXMWREICGWHX-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM CCCC[C@H](SCCCc1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595656173 982051257 /nfs/dbraw/zinc/05/12/57/982051257.db2.gz VLMDIOZDEQYWRM-AWEZNQCLSA-N -1 0 306.431 3.872 20 0 DHADRM CCCC[C@@H](SCc1cccnc1C(F)(F)F)C(=O)[O-] ZINC001595656765 982055744 /nfs/dbraw/zinc/05/57/44/982055744.db2.gz AAQFEGNICRPAGN-SNVBAGLBSA-N -1 0 307.337 3.977 20 0 DHADRM CCCCC1CCC(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)CC1 ZINC001595657230 982060460 /nfs/dbraw/zinc/06/04/60/982060460.db2.gz ORCITBMJDFHTRW-WLYUNCDWSA-N -1 0 309.450 3.837 20 0 DHADRM CCCCC1CCC(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)CC1 ZINC001595657229 982060718 /nfs/dbraw/zinc/06/07/18/982060718.db2.gz ORCITBMJDFHTRW-NFOMZHRRSA-N -1 0 309.450 3.837 20 0 DHADRM CCCC[C@H](Sc1cc(C(F)F)nc(SC)n1)C(=O)[O-] ZINC001595657662 982064456 /nfs/dbraw/zinc/06/44/56/982064456.db2.gz PUJTYUBMFMITOT-QMMMGPOBSA-N -1 0 322.402 3.872 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)s1 ZINC000910696167 982066850 /nfs/dbraw/zinc/06/68/50/982066850.db2.gz CZQDAEJUQAKBHD-UHFFFAOYSA-N -1 0 324.427 3.895 20 0 DHADRM CCCC[C@@H](SCc1noc(-c2ccsc2)n1)C(=O)[O-] ZINC001595657936 982067468 /nfs/dbraw/zinc/06/74/68/982067468.db2.gz VKAHOBCJNMSOHF-SNVBAGLBSA-N -1 0 312.416 3.675 20 0 DHADRM CCCCC1CCC(C(=O)OCc2cccc(C(=O)[O-])n2)CC1 ZINC001595660528 982071333 /nfs/dbraw/zinc/07/13/33/982071333.db2.gz HXAULBYJOSMZKN-UHFFFAOYSA-N -1 0 319.401 3.820 20 0 DHADRM CC(C)c1occc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910707028 982075617 /nfs/dbraw/zinc/07/56/17/982075617.db2.gz WQDASHWPINYYQB-UHFFFAOYSA-N -1 0 322.386 3.933 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H](C)c2ccccc2)nc1C(=O)[O-] ZINC000910707419 982076984 /nfs/dbraw/zinc/07/69/84/982076984.db2.gz ZTKQJSGGFIGKAC-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM CCCCC1CCC(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001595661732 982076951 /nfs/dbraw/zinc/07/69/51/982076951.db2.gz XDIKVSBJVONZFY-UHFFFAOYSA-N -1 0 306.406 3.658 20 0 DHADRM CCCCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)C(C)C ZINC001595662746 982081192 /nfs/dbraw/zinc/08/11/92/982081192.db2.gz KBWIZNIHUNELDS-OAHLLOKOSA-N -1 0 323.408 3.993 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595663354 982083694 /nfs/dbraw/zinc/08/36/94/982083694.db2.gz VFSQYZYYQGIPSP-UHFFFAOYSA-N -1 0 305.418 3.650 20 0 DHADRM CC[C@@](C)(NCc1cc(C(=O)[O-])ccc1F)c1nc(C)cs1 ZINC001594852129 982091428 /nfs/dbraw/zinc/09/14/28/982091428.db2.gz CSEQBDFSLKKREU-MRXNPFEDSA-N -1 0 322.405 3.704 20 0 DHADRM CC[C@@](C)(NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1nccs1 ZINC001594852369 982093860 /nfs/dbraw/zinc/09/38/60/982093860.db2.gz JIUUALNUZDHULE-MRXNPFEDSA-N -1 0 321.446 3.708 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001595666637 982105760 /nfs/dbraw/zinc/10/57/60/982105760.db2.gz PUSCSRVNUPXLQD-WMLDXEAASA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)c1ccoc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743420 982106176 /nfs/dbraw/zinc/10/61/76/982106176.db2.gz YUNWHWNXGUTVIY-UHFFFAOYSA-N -1 0 320.370 3.687 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595669409 982113215 /nfs/dbraw/zinc/11/32/15/982113215.db2.gz HQAQSZUOYQKIEN-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595670333 982117986 /nfs/dbraw/zinc/11/79/86/982117986.db2.gz OVIHPKBRHSRMEF-HUUCEWRRSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCC[C@H](NC(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001595671930 982127400 /nfs/dbraw/zinc/12/74/00/982127400.db2.gz JFNYPKHPENIDKT-WBVHZDCISA-N -1 0 317.429 3.646 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001595672232 982131433 /nfs/dbraw/zinc/13/14/33/982131433.db2.gz NPEMMUMMWBESDQ-RHSMWYFYSA-N -1 0 319.445 3.892 20 0 DHADRM CCCCC[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001595673188 982139439 /nfs/dbraw/zinc/13/94/39/982139439.db2.gz VTQYTGVKJSWHNZ-ZBFHGGJFSA-N -1 0 305.418 3.720 20 0 DHADRM C[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccc2ccccc2c1 ZINC000910828674 982141050 /nfs/dbraw/zinc/14/10/50/982141050.db2.gz DONMMVQHJKMRKK-CYBMUJFWSA-N -1 0 313.397 3.560 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001595676017 982145180 /nfs/dbraw/zinc/14/51/80/982145180.db2.gz FUIWTWVLQKOASU-OAGGEKHMSA-N -1 0 317.429 3.576 20 0 DHADRM CCCCC[C@@H](NC(=O)c1coc2ccc(Cl)cc21)C(=O)[O-] ZINC001595681737 982164618 /nfs/dbraw/zinc/16/46/18/982164618.db2.gz UJAQLJNLPGUREX-CYBMUJFWSA-N -1 0 323.776 3.850 20 0 DHADRM CC[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594865330 982166015 /nfs/dbraw/zinc/16/60/15/982166015.db2.gz TYPPABQRNLJZDW-UFBFGSQYSA-N -1 0 318.200 3.624 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)nc1 ZINC000910958237 982177097 /nfs/dbraw/zinc/17/70/97/982177097.db2.gz GRQKHNFEABCFPM-UHFFFAOYSA-N -1 0 312.369 3.718 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccsc1 ZINC000910959161 982177963 /nfs/dbraw/zinc/17/79/63/982177963.db2.gz BJWBYRUBMDTNGC-JTQLQIEISA-N -1 0 303.383 3.751 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001595689379 982185712 /nfs/dbraw/zinc/18/57/12/982185712.db2.gz AUPDVKCBZAXMBP-MRXNPFEDSA-N -1 0 317.429 3.889 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595694675 982213336 /nfs/dbraw/zinc/21/33/36/982213336.db2.gz GSZCBUKTJLPPPG-GHMZBOCLSA-N -1 0 312.435 3.625 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001595694962 982215479 /nfs/dbraw/zinc/21/54/79/982215479.db2.gz LXWPTUFAKOFDFK-RHSMWYFYSA-N -1 0 317.429 3.944 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595695184 982217026 /nfs/dbraw/zinc/21/70/26/982217026.db2.gz QFLHPKAVPABYLV-CYBMUJFWSA-N -1 0 320.433 3.996 20 0 DHADRM Cc1cc(NC(=O)c2ncsc2C(C)C)cc(C(=O)[O-])c1 ZINC000911073209 982226379 /nfs/dbraw/zinc/22/63/79/982226379.db2.gz PNGALPNPMRFBJE-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM CCCCCC[C@H](CC)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001595697303 982240970 /nfs/dbraw/zinc/24/09/70/982240970.db2.gz KBXKAPAEOUSQAL-MPGHIAIKSA-N -1 0 309.450 3.696 20 0 DHADRM CCCCCCN(Cc1ccco1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595708692 982285492 /nfs/dbraw/zinc/28/54/92/982285492.db2.gz AZRMUCVPRRQECU-UHFFFAOYSA-N -1 0 318.373 3.529 20 0 DHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCC[C@H](C)C1 ZINC001595735859 982380963 /nfs/dbraw/zinc/38/09/63/982380963.db2.gz OPPDQDZYVJASOH-XJKSGUPXSA-N -1 0 318.417 3.601 20 0 DHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911398063 982417219 /nfs/dbraw/zinc/41/72/19/982417219.db2.gz GNYMYMJKSKHYOQ-OAHLLOKOSA-N -1 0 321.392 3.689 20 0 DHADRM CCCCN(Cc1ccccc1Cl)c1cncc(C(=O)[O-])n1 ZINC001595748370 982419280 /nfs/dbraw/zinc/41/92/80/982419280.db2.gz YIEJTRLRLHMJGH-UHFFFAOYSA-N -1 0 319.792 3.635 20 0 DHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](CC)C(=O)[O-] ZINC001595749141 982420850 /nfs/dbraw/zinc/42/08/50/982420850.db2.gz JNHXCRYQPZSMDU-CYBMUJFWSA-N -1 0 311.809 3.580 20 0 DHADRM O=C([O-])CCCC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911452470 982437233 /nfs/dbraw/zinc/43/72/33/982437233.db2.gz NLLNBSNXNJKNQA-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM CN(Cc1cccs1)C(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000035716797 1014846313 /nfs/dbraw/zinc/84/63/13/1014846313.db2.gz PVFWVFGLGPDNDS-UHFFFAOYSA-N -1 0 309.431 3.522 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-] ZINC001594928516 982538698 /nfs/dbraw/zinc/53/86/98/982538698.db2.gz JKRCUVNFTQJSKM-JOYOIKCWSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@H](C)[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001594928902 982544263 /nfs/dbraw/zinc/54/42/63/982544263.db2.gz PBOFFTJENIKHTQ-GWCFXTLKSA-N -1 0 308.378 3.603 20 0 DHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)[O-] ZINC001594929271 982547330 /nfs/dbraw/zinc/54/73/30/982547330.db2.gz RKMGRVDIXONUHQ-DGCLKSJQSA-N -1 0 319.430 3.556 20 0 DHADRM CCCCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cn1 ZINC001595781008 982557957 /nfs/dbraw/zinc/55/79/57/982557957.db2.gz VHTQTJNQPIINNB-UHFFFAOYSA-N -1 0 318.373 3.726 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595789364 982588355 /nfs/dbraw/zinc/58/83/55/982588355.db2.gz XSZAJNKQGGSNTE-VIFPVBQESA-N -1 0 301.433 3.615 20 0 DHADRM C[C@@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000911693699 982603037 /nfs/dbraw/zinc/60/30/37/982603037.db2.gz XLJDUSMPAMWOHO-KWCYVHTRSA-N -1 0 315.369 3.501 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@H]2CC23CCCC3)cccc1C(=O)[O-] ZINC000911738583 982620855 /nfs/dbraw/zinc/62/08/55/982620855.db2.gz FDYSPNCVTHNBLP-CYBMUJFWSA-N -1 0 317.385 3.691 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(C)c(Cl)cc1C)C(=O)[O-] ZINC001594944750 982628231 /nfs/dbraw/zinc/62/82/31/982628231.db2.gz IWBNFWYBQOBOEP-XPTSAGLGSA-N -1 0 311.809 3.576 20 0 DHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001594946370 982641359 /nfs/dbraw/zinc/64/13/59/982641359.db2.gz OGVOBHUPJCSVIZ-MNOVXSKESA-N -1 0 311.447 3.665 20 0 DHADRM CCCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)[C@H](C)C(=O)[O-] ZINC001595813494 982655857 /nfs/dbraw/zinc/65/58/57/982655857.db2.gz JSMTWNKBGWSHMP-LSDHHAIUSA-N -1 0 319.445 3.700 20 0 DHADRM CCCN(C(=O)CCc1ccc(CC(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595817381 982680540 /nfs/dbraw/zinc/68/05/40/982680540.db2.gz VETOHFKGDLJGIG-HNNXBMFYSA-N -1 0 319.445 3.529 20 0 DHADRM CCCN(C(=O)c1cc(Cl)cc2ccccc21)[C@H](C)C(=O)[O-] ZINC001595824473 982704455 /nfs/dbraw/zinc/70/44/55/982704455.db2.gz JDKWEBDGKPKQJE-LLVKDONJSA-N -1 0 319.788 3.819 20 0 DHADRM CC[C@@H](C)CCCCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594959546 982707994 /nfs/dbraw/zinc/70/79/94/982707994.db2.gz XSLFNEVKSPESPJ-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923089838 982716470 /nfs/dbraw/zinc/71/64/70/982716470.db2.gz JBHAWVJLZAQPOQ-SECBINFHSA-N -1 0 301.433 3.615 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000923090240 982716576 /nfs/dbraw/zinc/71/65/76/982716576.db2.gz FSSKEWXNLSRLIH-VIFPVBQESA-N -1 0 321.373 3.711 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000923093012 982718027 /nfs/dbraw/zinc/71/80/27/982718027.db2.gz WOJTUDRWHZHLSV-SNVBAGLBSA-N -1 0 303.383 3.887 20 0 DHADRM COc1c(C)cc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1C ZINC000923095096 982719663 /nfs/dbraw/zinc/71/96/63/982719663.db2.gz QXHIJMUEMQEIDT-UHFFFAOYSA-N -1 0 319.382 3.632 20 0 DHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC001595832097 982725610 /nfs/dbraw/zinc/72/56/10/982725610.db2.gz ZSWJDCKNUAPATG-UHFFFAOYSA-N -1 0 321.760 3.996 20 0 DHADRM CC[C@@H](C)N(CC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594983613 982785980 /nfs/dbraw/zinc/78/59/80/982785980.db2.gz HEWXMAVWOVPLHF-UKRRQHHQSA-N -1 0 320.433 3.669 20 0 DHADRM CC[C@H](C)N(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594983615 982787898 /nfs/dbraw/zinc/78/78/98/982787898.db2.gz HEWXMAVWOVPLHF-ZFWWWQNUSA-N -1 0 320.433 3.669 20 0 DHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cc(C)ccc2C)C(C(=O)[O-])=C1C ZINC001594985381 982800342 /nfs/dbraw/zinc/80/03/42/982800342.db2.gz OLQNRCPZRDOYEE-LRDDRELGSA-N -1 0 316.401 3.527 20 0 DHADRM CCCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(CC)cc1 ZINC001595870756 982856687 /nfs/dbraw/zinc/85/66/87/982856687.db2.gz XDSMDKSKFNENPF-INIZCTEOSA-N -1 0 303.402 3.613 20 0 DHADRM CC[C@H](C)NC(=O)CSc1cc2ccccc2cc1C(=O)[O-] ZINC001594992379 982861756 /nfs/dbraw/zinc/86/17/56/982861756.db2.gz UXFUTDXEPYJFRM-NSHDSACASA-N -1 0 317.410 3.545 20 0 DHADRM CCCN(Cc1cc(C(=O)[O-])oc1C)Cc1ccc(F)cc1F ZINC001595888967 982919450 /nfs/dbraw/zinc/91/94/50/982919450.db2.gz UZRSRRSBACKVIB-UHFFFAOYSA-N -1 0 323.339 3.977 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001595009060 982931913 /nfs/dbraw/zinc/93/19/13/982931913.db2.gz BXGRASAVSJUBAK-XJKCOSOUSA-N -1 0 303.402 3.525 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001595010463 982940329 /nfs/dbraw/zinc/94/03/29/982940329.db2.gz RBFQBSOUYXUKKD-LLVKDONJSA-N -1 0 315.369 3.730 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)NCCCCCC(=O)[O-])c1 ZINC001595013614 982948181 /nfs/dbraw/zinc/94/81/81/982948181.db2.gz KYEFDKROJWAYGF-CYBMUJFWSA-N -1 0 306.406 3.967 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC001595014480 982952657 /nfs/dbraw/zinc/95/26/57/982952657.db2.gz UDBKHHYNPJTCOE-NSHDSACASA-N -1 0 315.373 3.881 20 0 DHADRM O=C(CCCc1ccccc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689458 1014896689 /nfs/dbraw/zinc/89/66/89/1014896689.db2.gz ZNIVBFDKYSPRKF-UHFFFAOYSA-N -1 0 323.421 3.588 20 0 DHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000443414387 1014904937 /nfs/dbraw/zinc/90/49/37/1014904937.db2.gz FLCWUIQGOHBFEM-UHFFFAOYSA-N -1 0 304.415 3.568 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC001119640611 983010680 /nfs/dbraw/zinc/01/06/80/983010680.db2.gz LTTYPPFRDWFYPG-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM CCc1cccnc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000443415298 1014906204 /nfs/dbraw/zinc/90/62/04/1014906204.db2.gz FSFKGKZNFKKTRT-UHFFFAOYSA-N -1 0 304.415 3.568 20 0 DHADRM CCCOc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1C ZINC001595960137 983148743 /nfs/dbraw/zinc/14/87/43/983148743.db2.gz AVCBNCJTYFOXOM-UHFFFAOYSA-N -1 0 317.341 3.636 20 0 DHADRM CCCOc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1F ZINC001595966302 983171369 /nfs/dbraw/zinc/17/13/69/983171369.db2.gz GOXOFDDFVROXCS-YODMDTAWSA-N -1 0 307.365 3.526 20 0 DHADRM CCCOc1ccc(N[C@H](C)c2nc(C(=O)[O-])co2)cc1Cl ZINC001595966668 983173535 /nfs/dbraw/zinc/17/35/35/983173535.db2.gz NTJWYZWJVULJJY-SECBINFHSA-N -1 0 324.764 3.988 20 0 DHADRM CCC[C@@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001596008176 983264378 /nfs/dbraw/zinc/26/43/78/983264378.db2.gz PXYKJQPQIYUFLD-ZYHUDNBSSA-N -1 0 317.410 3.652 20 0 DHADRM CCCc1c(C(=O)N(C)C[C@@H](C)C(C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596029407 983294241 /nfs/dbraw/zinc/29/42/41/983294241.db2.gz KHDNLPRPCJGEAB-LLVKDONJSA-N -1 0 322.449 3.728 20 0 DHADRM CCCc1ccccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001596070688 983387504 /nfs/dbraw/zinc/38/75/04/983387504.db2.gz URCPGLJQMJIBHS-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2cc(C)sc2C(=O)[O-])s1 ZINC001596082309 983399901 /nfs/dbraw/zinc/39/99/01/983399901.db2.gz SGHQPBONYXBPDF-UHFFFAOYSA-N -1 0 324.427 3.724 20 0 DHADRM CCCc1nc(C)c(CNCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001596083327 983405036 /nfs/dbraw/zinc/40/50/36/983405036.db2.gz MHBCQVNVGRTBKU-UHFFFAOYSA-N -1 0 322.792 3.577 20 0 DHADRM CCN(C(=O)C[C@@H](C)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC001596134178 983483117 /nfs/dbraw/zinc/48/31/17/983483117.db2.gz VOTFHRTWLRJQOW-SECBINFHSA-N -1 0 318.200 3.847 20 0 DHADRM CCN(C(=O)/C=C(\C)c1cccs1)c1ccccc1C(=O)[O-] ZINC001596138648 983489589 /nfs/dbraw/zinc/48/95/89/983489589.db2.gz VLSWNHDBBFQVHU-VAWYXSNFSA-N -1 0 315.394 3.903 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(C)c1C ZINC001596164734 983527685 /nfs/dbraw/zinc/52/76/85/983527685.db2.gz AYXRZWHNYFBHCQ-UHFFFAOYSA-N -1 0 315.344 3.807 20 0 DHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001596167108 983531207 /nfs/dbraw/zinc/53/12/07/983531207.db2.gz HMVVRMOZVWIMPC-CLFYSBASSA-N -1 0 319.744 3.698 20 0 DHADRM CCc1oc2ccccc2c1CN(C)c1ncccc1C(=O)[O-] ZINC000608372070 1014965789 /nfs/dbraw/zinc/96/57/89/1014965789.db2.gz RIXARENPCZGJRJ-UHFFFAOYSA-N -1 0 310.353 3.725 20 0 DHADRM CCN(Cc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC001596371425 983870366 /nfs/dbraw/zinc/87/03/66/983870366.db2.gz DHSDTBNOKAWFQK-UHFFFAOYSA-N -1 0 303.789 3.994 20 0 DHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CC2(CC2)C1 ZINC000452279324 1015007331 /nfs/dbraw/zinc/00/73/31/1015007331.db2.gz ZFRLWPPFHXDTAO-UHFFFAOYSA-N -1 0 313.784 3.949 20 0 DHADRM CC[C@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512420 1015020478 /nfs/dbraw/zinc/02/04/78/1015020478.db2.gz DNAWTZZLBKGIGS-KBPBESRZSA-N -1 0 319.401 3.535 20 0 DHADRM CCOC(=O)[C@@H](CC)SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596527562 984344577 /nfs/dbraw/zinc/34/45/77/984344577.db2.gz JKYNETVCHKFTPQ-GFCCVEGCSA-N -1 0 316.806 3.613 20 0 DHADRM CCOC(=O)C1CCC(S[C@@H](CC(C)(C)C)C(=O)[O-])CC1 ZINC001596571086 984466363 /nfs/dbraw/zinc/46/63/63/984466363.db2.gz ZFUHRGPMKWJXAJ-BPCQOVAHSA-N -1 0 316.463 3.731 20 0 DHADRM CCOC(=O)C[C@H](C)S[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596592047 984526808 /nfs/dbraw/zinc/52/68/08/984526808.db2.gz AHFZCMCHTRKDFW-TVQRCGJNSA-N -1 0 316.806 3.541 20 0 DHADRM CCOC(=O)C[C@H](C)SCc1c(Cl)cccc1C(=O)[O-] ZINC001596593069 984533602 /nfs/dbraw/zinc/53/36/02/984533602.db2.gz WKUODQNRUGSXIL-VIFPVBQESA-N -1 0 316.806 3.613 20 0 DHADRM C=COc1ccc(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588913685 984556182 /nfs/dbraw/zinc/55/61/82/984556182.db2.gz JBIWRRJDRWEWBE-UHFFFAOYSA-N -1 0 312.325 3.860 20 0 DHADRM C/C(=C(\F)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001588932974 984611155 /nfs/dbraw/zinc/61/11/55/984611155.db2.gz OBLWOPIPBFJAEK-GOFCXVBSSA-N -1 0 319.376 3.608 20 0 DHADRM C/C(=C(\F)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC1 ZINC001588933647 984612793 /nfs/dbraw/zinc/61/27/93/984612793.db2.gz VQGVPSZTNQOXMB-XNTDXEJSSA-N -1 0 323.389 3.845 20 0 DHADRM C/C(=C\C(=O)N1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001588937465 984616399 /nfs/dbraw/zinc/61/63/99/984616399.db2.gz IISQJPAXBMTKGP-PABFRNLHSA-N -1 0 321.804 3.599 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC001588944055 984644382 /nfs/dbraw/zinc/64/43/82/984644382.db2.gz NHMNWDRVIDWRRW-NTMALXAHSA-N -1 0 301.367 3.797 20 0 DHADRM C/C(=C\C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1cccs1 ZINC001588946509 984657047 /nfs/dbraw/zinc/65/70/47/984657047.db2.gz RINZQXDVLRFFOV-ZKQHCESOSA-N -1 0 315.394 3.978 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001588951556 984680777 /nfs/dbraw/zinc/68/07/77/984680777.db2.gz CGDPXNCGYDCOGQ-FLIBITNWSA-N -1 0 318.398 3.983 20 0 DHADRM C/C(=C\C(=O)[O-])COc1c(C=O)cc(Cl)c2ccccc21 ZINC001588952473 984686077 /nfs/dbraw/zinc/68/60/77/984686077.db2.gz QFIJINCHOUSOBX-UXBLZVDNSA-N -1 0 304.729 3.715 20 0 DHADRM Cc1cc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C2CC2)ccc1F ZINC000760065782 1015056689 /nfs/dbraw/zinc/05/66/89/1015056689.db2.gz DTERRQOUDRKANF-NSHDSACASA-N -1 0 307.262 3.602 20 0 DHADRM C/C(=C\C(=O)Oc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588953253 984693656 /nfs/dbraw/zinc/69/36/56/984693656.db2.gz MFEWNUMUFXVCAP-ZHACJKMWSA-N -1 0 300.285 3.533 20 0 DHADRM C/C(=C\C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccco1 ZINC001588953302 984694448 /nfs/dbraw/zinc/69/44/48/984694448.db2.gz NRQUZLVPASWUBH-ANYFNZRUSA-N -1 0 304.298 3.587 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001588956216 984702547 /nfs/dbraw/zinc/70/25/47/984702547.db2.gz IZHMPMYGFDKWEK-RCTLQQIKSA-N -1 0 307.434 3.615 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001588956546 984705727 /nfs/dbraw/zinc/70/57/27/984705727.db2.gz SHNMOYJFZXIOKL-DHZHZOJOSA-N -1 0 304.390 3.732 20 0 DHADRM C/C(=C/CN(Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958606 984713800 /nfs/dbraw/zinc/71/38/00/984713800.db2.gz NMDYFXASYBPBPW-YFHOEESVSA-N -1 0 314.212 3.989 20 0 DHADRM C/C(=C\COC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588989406 984908820 /nfs/dbraw/zinc/90/88/20/984908820.db2.gz QXLWQPMMGDKBBU-TTZKWOQHSA-N -1 0 316.275 3.540 20 0 DHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccccc1 ZINC001599904868 984909313 /nfs/dbraw/zinc/90/93/13/984909313.db2.gz IMBKDDYUIKYAPK-URKNILKWSA-N -1 0 310.349 3.549 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001588999443 984937943 /nfs/dbraw/zinc/93/79/43/984937943.db2.gz VFZDARRSUKKAPO-RPHSKFLZSA-N -1 0 314.337 3.994 20 0 DHADRM C[C@H]1CC[C@@](NC(=O)CCCC2CCCCC2)(C(=O)[O-])CC1 ZINC001599907658 984943990 /nfs/dbraw/zinc/94/39/90/984943990.db2.gz AURQDPAQOQMPSH-PPUGGXLSSA-N -1 0 309.450 3.887 20 0 DHADRM CC(=C/c1ccccc1)/C=C1\C(=O)Nc2cc(F)c(C(=O)[O-])cc21 ZINC001589001485 984945200 /nfs/dbraw/zinc/94/52/00/984945200.db2.gz KRYURPHUGVCZOO-DJNBAJBSSA-N -1 0 323.323 3.963 20 0 DHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCc3c2cccc3C(=O)[O-])C1(C)C ZINC001599907773 984945612 /nfs/dbraw/zinc/94/56/12/984945612.db2.gz FSWZBMXKQUNHJT-BUXKBTBVSA-N -1 0 315.413 3.736 20 0 DHADRM C/C(=C\c1ccco1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589010661 984981545 /nfs/dbraw/zinc/98/15/45/984981545.db2.gz OTZCELKTDPPQHL-VAWYXSNFSA-N -1 0 313.353 3.684 20 0 DHADRM CCOC(=O)c1ccc(S[C@H](C(=O)[O-])[C@@H](C)CC)c(F)c1 ZINC001596728092 984985903 /nfs/dbraw/zinc/98/59/03/984985903.db2.gz BRWVZWKOQKGOEM-ZANVPECISA-N -1 0 314.378 3.594 20 0 DHADRM CCOC(=O)c1ccc(S[C@H](C(=O)[O-])[C@H](C)CC)c(F)c1 ZINC001596728088 984985983 /nfs/dbraw/zinc/98/59/83/984985983.db2.gz BRWVZWKOQKGOEM-RNCFNFMXSA-N -1 0 314.378 3.594 20 0 DHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000656737646 1015107490 /nfs/dbraw/zinc/10/74/90/1015107490.db2.gz LEZDIEWZKOPDPV-UHFFFAOYSA-N -1 0 324.833 3.715 20 0 DHADRM C[C@]12CCCC[C@H]1CN2C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001599938183 985421801 /nfs/dbraw/zinc/42/18/01/985421801.db2.gz HUGXGVVNEAYBKI-KSSFIOAISA-N -1 0 316.401 3.500 20 0 DHADRM Cc1nc(=O)[nH]c(S[C@@H](C)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC001599941753 985463204 /nfs/dbraw/zinc/46/32/04/985463204.db2.gz SNUXPPJVNDESPY-QMMMGPOBSA-N -1 0 324.789 3.696 20 0 DHADRM CCO[C@H]1C[C@H](Nc2ccc(SC)c(C(=O)[O-])c2)C12CCC2 ZINC001596842322 985530477 /nfs/dbraw/zinc/53/04/77/985530477.db2.gz JYQJPTUPFCEDKI-GJZGRUSLSA-N -1 0 321.442 3.866 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594481645 985530894 /nfs/dbraw/zinc/53/08/94/985530894.db2.gz XQKNKJKBHGBIOW-YGRLFVJLSA-N -1 0 316.382 3.671 20 0 DHADRM CCO[C@H]1CCC[C@@H](Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001596852508 985585669 /nfs/dbraw/zinc/58/56/69/985585669.db2.gz DUGQWJKJMVXMPD-YPMHNXCESA-N -1 0 309.431 3.866 20 0 DHADRM Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599953159 985643845 /nfs/dbraw/zinc/64/38/45/985643845.db2.gz QJNRWQZVROUCIF-ZIAGYGMSSA-N -1 0 320.433 3.664 20 0 DHADRM Cc1[nH]c(C(=O)Nc2ccc3sccc3c2)c(C)c1C(=O)[O-] ZINC001599955005 985673471 /nfs/dbraw/zinc/67/34/71/985673471.db2.gz YLBPKVORBFQFTK-UHFFFAOYSA-N -1 0 314.366 3.797 20 0 DHADRM Cc1[nH]c(CNc2cccc(Oc3ccccc3)n2)cc1C(=O)[O-] ZINC001599964200 985865199 /nfs/dbraw/zinc/86/51/99/985865199.db2.gz ZLRIROORJFFQJC-UHFFFAOYSA-N -1 0 323.352 3.821 20 0 DHADRM CC(=O)c1c(C)cc(OCc2cc(C(=O)[O-])cs2)cc1C ZINC001589254380 985883363 /nfs/dbraw/zinc/88/33/63/985883363.db2.gz IPQJVZSIJWXPLO-UHFFFAOYSA-N -1 0 304.367 3.845 20 0 DHADRM Cc1[nH]c(CNc2ccccc2COC(C)(C)C)cc1C(=O)[O-] ZINC001599965581 985897369 /nfs/dbraw/zinc/89/73/69/985897369.db2.gz FROCBCVTSGVVDN-UHFFFAOYSA-N -1 0 316.401 3.949 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CCCCC1(C)C ZINC001589264360 985934204 /nfs/dbraw/zinc/93/42/04/985934204.db2.gz HZWPBKPBWQBRDR-CQSZACIVSA-N -1 0 318.369 3.709 20 0 DHADRM CCOCCCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596919553 985968160 /nfs/dbraw/zinc/96/81/60/985968160.db2.gz OFDZDXGUJKZLKK-UHFFFAOYSA-N -1 0 321.398 3.700 20 0 DHADRM CC(=O)c1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001589277255 985993907 /nfs/dbraw/zinc/99/39/07/985993907.db2.gz JVWOXYDPRQKPEU-UHFFFAOYSA-N -1 0 317.366 3.518 20 0 DHADRM CC(=O)c1ccc(NC2CC(CC(=O)[O-])C2)cc1C(F)(F)F ZINC001589290343 986025589 /nfs/dbraw/zinc/02/55/89/986025589.db2.gz PKCNDQRYULSKMR-UHFFFAOYSA-N -1 0 315.291 3.573 20 0 DHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])s2)cc1Cl ZINC001589297331 986040882 /nfs/dbraw/zinc/04/08/82/986040882.db2.gz LRDIGGKBKPUKOW-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)c2cc(Cl)ccc2O1 ZINC001594534184 986141209 /nfs/dbraw/zinc/14/12/09/986141209.db2.gz HLLHCPXWTLTSNA-VIFPVBQESA-N -1 0 323.801 3.887 20 0 DHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCCC3CC3)ccc2n1C ZINC001599985631 986223251 /nfs/dbraw/zinc/22/32/51/986223251.db2.gz HRUDBAROUIHLGF-UHFFFAOYSA-N -1 0 315.369 3.671 20 0 DHADRM C[C@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC001589342626 986270251 /nfs/dbraw/zinc/27/02/51/986270251.db2.gz OTQFIXMTYHRVDB-AWEZNQCLSA-N -1 0 317.429 3.705 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC[C@@H]1CC ZINC001597010121 986348832 /nfs/dbraw/zinc/34/88/32/986348832.db2.gz VOTAKBRYHAMCGA-AAEUAGOBSA-N -1 0 305.374 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC001597022753 986424528 /nfs/dbraw/zinc/42/45/28/986424528.db2.gz ZXFNIUMOBOZOJT-LLVKDONJSA-N -1 0 322.405 3.587 20 0 DHADRM CCOc1cc(F)cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001597037124 986481011 /nfs/dbraw/zinc/48/10/11/986481011.db2.gz VYYWVPALJMIQMX-UHFFFAOYSA-N -1 0 317.360 3.555 20 0 DHADRM CCOc1ccc(-c2nc(C(C)(C)C(=O)[O-])cs2)cc1F ZINC001597049178 986518321 /nfs/dbraw/zinc/51/83/21/986518321.db2.gz DWOOVPYZSXURHV-UHFFFAOYSA-N -1 0 309.362 3.710 20 0 DHADRM C[C@@H]1CSc2ccccc2N1Cc1ccc(C(=O)[O-])s1 ZINC001594612344 986607893 /nfs/dbraw/zinc/60/78/93/986607893.db2.gz KLKSLNGYOHXPTC-SNVBAGLBSA-N -1 0 305.424 3.947 20 0 DHADRM CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001597079155 986617863 /nfs/dbraw/zinc/61/78/63/986617863.db2.gz NJTRBTMUKHIHJD-UHFFFAOYSA-N -1 0 320.728 3.656 20 0 DHADRM C[C@H]1CSC[C@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594613399 986619631 /nfs/dbraw/zinc/61/96/31/986619631.db2.gz LUVCFVYPMSZVJM-SWLSCSKDSA-N -1 0 320.458 3.539 20 0 DHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@@H](C)Cc2ccccc21 ZINC001594623341 986674549 /nfs/dbraw/zinc/67/45/49/986674549.db2.gz ZSVVEZWWHPTXGG-QWRGUYRKSA-N -1 0 302.399 3.601 20 0 DHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC001589429330 986709173 /nfs/dbraw/zinc/70/91/73/986709173.db2.gz NPOPVMXHZDWIOB-MRVPVSSYSA-N -1 0 323.270 3.544 20 0 DHADRM CCOc1ccc(CNc2ccc(F)c(C(=O)[O-])c2Cl)nc1 ZINC001597105257 986735403 /nfs/dbraw/zinc/73/54/03/986735403.db2.gz KGFGIVGHQZSPQB-UHFFFAOYSA-N -1 0 324.739 3.583 20 0 DHADRM CCOc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C(=O)[O-])c1F ZINC001597113449 986787410 /nfs/dbraw/zinc/78/74/10/986787410.db2.gz UGJMLHQGUMKDAH-BMLIUANNSA-N -1 0 323.364 3.543 20 0 DHADRM C[C@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CCC1 ZINC001589444072 986794509 /nfs/dbraw/zinc/79/45/09/986794509.db2.gz IKSWJENYZLYKOE-QMMMGPOBSA-N -1 0 310.419 3.514 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589444552 986799795 /nfs/dbraw/zinc/79/97/95/986799795.db2.gz ILQKHHLUAZPIAY-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CCOc1ccc(NC(=O)c2cscc2C)c(C(=O)[O-])c1F ZINC001597123047 986822196 /nfs/dbraw/zinc/82/21/96/986822196.db2.gz KHBRWQBHFWMPKN-UHFFFAOYSA-N -1 0 323.345 3.545 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C1CCC(C)(C)CC1)c1ccccc1 ZINC001589454622 986882444 /nfs/dbraw/zinc/88/24/44/986882444.db2.gz PNIPDXRAUKRAMN-BBRMVZONSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CCC(C)(C)CC1)c1ccccc1 ZINC001589454626 986882458 /nfs/dbraw/zinc/88/24/58/986882458.db2.gz PNIPDXRAUKRAMN-CZUORRHYSA-N -1 0 317.429 3.781 20 0 DHADRM CCOc1ccc2[nH]c(S[C@@H](C(=O)[O-])[C@@H](C)CC)nc2c1 ZINC001597145593 986907321 /nfs/dbraw/zinc/90/73/21/986907321.db2.gz IRPZPAQOBKNTLH-TVQRCGJNSA-N -1 0 308.403 3.553 20 0 DHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1Cc1cccc(C(=O)[O-])n1 ZINC001594665416 986959087 /nfs/dbraw/zinc/95/90/87/986959087.db2.gz FQZGEQHJTSCSBC-NEPJUHHUSA-N -1 0 314.410 3.669 20 0 DHADRM CCOc1cccc(F)c1CNc1ccc(CCC(=O)[O-])cc1 ZINC001597159875 986963872 /nfs/dbraw/zinc/96/38/72/986963872.db2.gz OEOCGMMFQIFGCE-UHFFFAOYSA-N -1 0 317.360 3.854 20 0 DHADRM C[C@H]1c2sccc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594673668 986993649 /nfs/dbraw/zinc/99/36/49/986993649.db2.gz IYEUEOYPBLBDPX-JTQLQIEISA-N -1 0 305.374 3.705 20 0 DHADRM CCOc1ccccc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597168177 986996060 /nfs/dbraw/zinc/99/60/60/986996060.db2.gz LCWYGAGCGGYPPX-UHFFFAOYSA-N -1 0 324.336 3.517 20 0 DHADRM CCOc1ccccc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001597168147 986996685 /nfs/dbraw/zinc/99/66/85/986996685.db2.gz JTUNPLGSNYRHBA-UHFFFAOYSA-N -1 0 324.336 3.517 20 0 DHADRM C/C=C(/C=C\C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)CC ZINC001594676976 987010845 /nfs/dbraw/zinc/01/08/45/987010845.db2.gz GOOZLMZKEQQNSC-AJVMRABKSA-N -1 0 313.397 3.716 20 0 DHADRM C/C=C(\CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594677309 987013306 /nfs/dbraw/zinc/01/33/06/987013306.db2.gz ZNNBYEQISZAKER-XVNBXDOJSA-N -1 0 302.157 3.986 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)CC ZINC001594677439 987015394 /nfs/dbraw/zinc/01/53/94/987015394.db2.gz 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ZINC001589532394 987214013 /nfs/dbraw/zinc/21/40/13/987214013.db2.gz CZULPRAGSHVVTP-PWSUYJOCSA-N -1 0 311.328 3.639 20 0 DHADRM CCS[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)C(C)C ZINC001597251475 987242031 /nfs/dbraw/zinc/24/20/31/987242031.db2.gz NNIKMIZJBWBDRB-CYBMUJFWSA-N -1 0 313.394 3.549 20 0 DHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1cc2ccccc2o1 ZINC000581743367 1015289691 /nfs/dbraw/zinc/28/96/91/1015289691.db2.gz RMPCFAHFYPMEQT-ZETCQYMHSA-N -1 0 313.304 3.898 20 0 DHADRM CC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)C1CCC(C)CC1 ZINC001594730149 987249093 /nfs/dbraw/zinc/24/90/93/987249093.db2.gz PCGAYNUTMLXQKP-JREQNMATSA-N -1 0 309.450 3.551 20 0 DHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001589541048 987250966 /nfs/dbraw/zinc/25/09/66/987250966.db2.gz XIAZNFFYQLFZGR-MADCSZMMSA-N -1 0 317.168 3.503 20 0 DHADRM CC[C@@H](C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-])c1ccccc1 ZINC001594730577 987252011 /nfs/dbraw/zinc/25/20/11/987252011.db2.gz WIYJIMYOFGXZTP-VQIMIIECSA-N -1 0 317.429 3.672 20 0 DHADRM CC[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001594733501 987254780 /nfs/dbraw/zinc/25/47/80/987254780.db2.gz BSNIRJYFFNDYSY-IAGOWNOFSA-N -1 0 317.429 3.578 20 0 DHADRM CCSCc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001597265111 987293865 /nfs/dbraw/zinc/29/38/65/987293865.db2.gz IISDBGQZICGXCJ-UHFFFAOYSA-N -1 0 319.382 3.792 20 0 DHADRM CCSCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001597265406 987296328 /nfs/dbraw/zinc/29/63/28/987296328.db2.gz UDUHFFJGUMQKPH-AWEZNQCLSA-N -1 0 323.458 3.559 20 0 DHADRM CCSCc1ccc(NCc2ncc(C(=O)[O-])s2)cc1 ZINC001597265430 987297401 /nfs/dbraw/zinc/29/74/01/987297401.db2.gz VMPNNJDVHSYSOX-UHFFFAOYSA-N -1 0 308.428 3.707 20 0 DHADRM CCSc1ccc(CC(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597272330 987319499 /nfs/dbraw/zinc/31/94/99/987319499.db2.gz DVOCOFPZGSWGES-ZIAGYGMSSA-N -1 0 322.426 3.528 20 0 DHADRM CCSc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001597277005 987332269 /nfs/dbraw/zinc/33/22/69/987332269.db2.gz 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ZINC000008108776 1015306930 /nfs/dbraw/zinc/30/69/30/1015306930.db2.gz WCRDHORUOSQLPG-UHFFFAOYSA-N -1 0 311.353 3.889 20 0 DHADRM CCc1[nH]c(C(=O)NC2(C)CCC(C)(C)CC2)c(C)c1C(=O)[O-] ZINC001597364243 987532946 /nfs/dbraw/zinc/53/29/46/987532946.db2.gz QBSQTAPGHYTDQV-UHFFFAOYSA-N -1 0 320.433 3.672 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCC[C@@H](O)c2ccccc2)cc1 ZINC001589640763 987562930 /nfs/dbraw/zinc/56/29/30/987562930.db2.gz FGIACHAQQBMQPS-QGZVFWFLSA-N -1 0 313.397 3.584 20 0 DHADRM CCc1[nH]c(CN[C@@H](c2ccco2)c2ccccc2)cc1C(=O)[O-] ZINC001597391676 987621350 /nfs/dbraw/zinc/62/13/50/987621350.db2.gz LTXKQTVBXNSCOU-GOSISDBHSA-N -1 0 324.380 3.748 20 0 DHADRM CCc1[nH]ccc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001597398669 987653005 /nfs/dbraw/zinc/65/30/05/987653005.db2.gz PPJLSCMEEURMKV-UHFFFAOYSA-N -1 0 308.337 3.681 20 0 DHADRM CCc1c2ccccc2oc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001597412410 987706003 /nfs/dbraw/zinc/70/60/03/987706003.db2.gz FSLHJCUJWDXIDN-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CC(C)(C(=O)OCc1ccsc1C(=O)[O-])c1ccccc1F ZINC001589680966 987708822 /nfs/dbraw/zinc/70/88/22/987708822.db2.gz KIXOULNFYYCKJS-UHFFFAOYSA-N -1 0 322.357 3.606 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1coc2ccc(Cl)cc21 ZINC001589705361 987819927 /nfs/dbraw/zinc/81/99/27/987819927.db2.gz JEYSGFGODFSDAN-ZDUSSCGKSA-N -1 0 323.776 3.705 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(OC)CCCCCC1 ZINC001597450101 987837282 /nfs/dbraw/zinc/83/72/82/987837282.db2.gz QZSDZNWJHNFVSE-UHFFFAOYSA-N -1 0 319.401 3.625 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001597450637 987841685 /nfs/dbraw/zinc/84/16/85/987841685.db2.gz ZSYKVLFLDGTBAU-NXOUGTEYSA-N -1 0 323.392 3.935 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1sccc1C ZINC001597458084 987879737 /nfs/dbraw/zinc/87/97/37/987879737.db2.gz BSLSNEZOFILTSI-UHFFFAOYSA-N -1 0 318.398 3.639 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597463701 987894018 /nfs/dbraw/zinc/89/40/18/987894018.db2.gz BYSAZMQBTLAHLZ-UHFFFAOYSA-N -1 0 315.344 3.901 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(O)ccc1Cl ZINC001597464705 987898509 /nfs/dbraw/zinc/89/85/09/987898509.db2.gz PDKLMIQZWLQOLP-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001589727771 987925093 /nfs/dbraw/zinc/92/50/93/987925093.db2.gz BDOYHFDRGPDQJV-KGLIPLIRSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)C1CCC(CNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001589728238 987929063 /nfs/dbraw/zinc/92/90/63/987929063.db2.gz GPWJZGBCIWSKCZ-UHFFFAOYSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)C1CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001589734237 987978029 /nfs/dbraw/zinc/97/80/29/987978029.db2.gz FOWRBNFFXLGNRU-UHFFFAOYSA-N -1 0 310.781 3.548 20 0 DHADRM CC(C)(C)[C@H]1CN(Cc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001589735126 987983306 /nfs/dbraw/zinc/98/33/06/987983306.db2.gz MFNOTMUKQPIRAC-HNNXBMFYSA-N -1 0 310.397 3.930 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001589742460 988019194 /nfs/dbraw/zinc/01/91/94/988019194.db2.gz SYKZQYMTSSRBKB-AWEZNQCLSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-] ZINC001589743489 988028465 /nfs/dbraw/zinc/02/84/65/988028465.db2.gz PEWICTOIPNSLAS-CQSZACIVSA-N -1 0 311.466 3.989 20 0 DHADRM O=C(CCOc1ccccc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474434133 1015357244 /nfs/dbraw/zinc/35/72/44/1015357244.db2.gz XJYLOQVPOYLOKJ-UHFFFAOYSA-N -1 0 309.724 3.592 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(O)c1 ZINC001597503774 988073116 /nfs/dbraw/zinc/07/31/16/988073116.db2.gz XWICWLPOWNHTSS-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC001589761612 988088747 /nfs/dbraw/zinc/08/87/47/988088747.db2.gz DPGXIMSTEGQPES-SNVBAGLBSA-N -1 0 302.729 3.525 20 0 DHADRM CC(C)(C)C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)[O-] ZINC001589761723 988089691 /nfs/dbraw/zinc/08/96/91/988089691.db2.gz HYHJFNIREPEZDN-CYBMUJFWSA-N -1 0 322.405 3.993 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(F)c(Cl)c1F)C(=O)[O-] ZINC001589761752 988090072 /nfs/dbraw/zinc/09/00/72/988090072.db2.gz JPCDVXKCIVPEJU-VIFPVBQESA-N -1 0 320.719 3.664 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001597512421 988098317 /nfs/dbraw/zinc/09/83/17/988098317.db2.gz YXQZBMQPBWNSAH-AWEZNQCLSA-N -1 0 317.429 3.646 20 0 DHADRM CC(C)(C)C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C1(C)C ZINC001589764597 988104901 /nfs/dbraw/zinc/10/49/01/988104901.db2.gz PEZVCXAPKOYCKU-ZDUSSCGKSA-N -1 0 311.466 3.941 20 0 DHADRM CCc1ccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)s1 ZINC001597519860 988142299 /nfs/dbraw/zinc/14/22/99/988142299.db2.gz FCTPRPNFHKIWRS-VZUCSPMQSA-N -1 0 317.341 3.641 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001589784493 988166579 /nfs/dbraw/zinc/16/65/79/988166579.db2.gz SXFNVBATUKGSQX-SWLSCSKDSA-N -1 0 321.392 3.706 20 0 DHADRM CCc1ccc(CNc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC001597530026 988179309 /nfs/dbraw/zinc/17/93/09/988179309.db2.gz 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ZINC001597550968 988270183 /nfs/dbraw/zinc/27/01/83/988270183.db2.gz RIVRUDLAROJMHO-UHFFFAOYSA-N -1 0 323.392 3.997 20 0 DHADRM CSc1cc(C(=O)Nc2scc(C)c2C(=O)[O-])c(C)o1 ZINC001599807509 988279585 /nfs/dbraw/zinc/27/95/85/988279585.db2.gz RBVFAVRZKBKSDC-UHFFFAOYSA-N -1 0 311.384 3.630 20 0 DHADRM CSc1cc(C)ccc1CNc1ccc(C(=O)[O-])c(C)n1 ZINC001599807710 988282678 /nfs/dbraw/zinc/28/26/78/988282678.db2.gz SPQWNOPINOSGQP-UHFFFAOYSA-N -1 0 302.399 3.731 20 0 DHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC2CC2)cc1 ZINC001599810966 988333614 /nfs/dbraw/zinc/33/36/14/988333614.db2.gz KJHJXQHTTLMICK-OAHLLOKOSA-N -1 0 321.442 3.621 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001599811645 988346064 /nfs/dbraw/zinc/34/60/64/988346064.db2.gz IXTIBXAUCSBXPY-SNVBAGLBSA-N -1 0 320.366 3.926 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001597571382 988351233 /nfs/dbraw/zinc/35/12/33/988351233.db2.gz CYBQMDUMYVOXNL-KCQAQPDRSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccccc1 ZINC001597576276 988364762 /nfs/dbraw/zinc/36/47/62/988364762.db2.gz JLHWZAWQCKKPOI-UHFFFAOYSA-N -1 0 319.307 3.678 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C1CC(C(C)(C)C)C1 ZINC001597576592 988367173 /nfs/dbraw/zinc/36/71/73/988367173.db2.gz QGNZNPRRFCZLGA-UHFFFAOYSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597581291 988387100 /nfs/dbraw/zinc/38/71/00/988387100.db2.gz VDVAQCPUOQRSEF-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CCc1cccc(CC)c1-n1ccnc1S[C@@H](C)C(=O)[O-] ZINC001597584929 988393490 /nfs/dbraw/zinc/39/34/90/988393490.db2.gz IZVOJVLCZNGRGX-NSHDSACASA-N -1 0 304.415 3.562 20 0 DHADRM Cc1cc2occ(CC(=O)Nc3cccc(C(=O)[O-])c3)c2cc1C ZINC000013094840 1015381404 /nfs/dbraw/zinc/38/14/04/1015381404.db2.gz LDHCEMLMYRJFNY-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc2cccnc2c1 ZINC001597593048 988425430 /nfs/dbraw/zinc/42/54/30/988425430.db2.gz LLELWCUHVYPPMX-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001597595417 988440006 /nfs/dbraw/zinc/44/00/06/988440006.db2.gz OMNGXEDUSZANMA-UHFFFAOYSA-N -1 0 314.341 3.600 20 0 DHADRM CSc1ccc(NC(=O)N(CC(C)C)C2CC2)cc1C(=O)[O-] ZINC001599817977 988461311 /nfs/dbraw/zinc/46/13/11/988461311.db2.gz ZIIJVBKWHXKMRR-UHFFFAOYSA-N -1 0 322.430 3.759 20 0 DHADRM CCc1cccc2c1N(Cc1cc(C(=O)[O-])cs1)CCC2 ZINC001597603312 988463727 /nfs/dbraw/zinc/46/37/27/988463727.db2.gz UPBITUUOXALQEL-UHFFFAOYSA-N -1 0 301.411 3.962 20 0 DHADRM CCc1ccccc1CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597609184 988491398 /nfs/dbraw/zinc/49/13/98/988491398.db2.gz IXVZJRYQZOOLGY-UHFFFAOYSA-N -1 0 312.369 3.577 20 0 DHADRM CCc1ccccc1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001597614702 988521492 /nfs/dbraw/zinc/52/14/92/988521492.db2.gz KZMOMBOPOKAWMK-UHFFFAOYSA-N -1 0 324.380 3.537 20 0 DHADRM CSc1cccc(N(C)c2nc(C3(C(=O)[O-])CC3)cs2)c1 ZINC001599821937 988529118 /nfs/dbraw/zinc/52/91/18/988529118.db2.gz KXTVZYXFAOHZNC-UHFFFAOYSA-N -1 0 320.439 3.749 20 0 DHADRM CSc1cccc(C)c1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599823409 988554184 /nfs/dbraw/zinc/55/41/84/988554184.db2.gz BOZOHXXTKZCBIH-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001597622045 988557313 /nfs/dbraw/zinc/55/73/13/988557313.db2.gz XJPTXQBTWORJON-YQEWQEHLSA-N -1 0 316.397 3.539 20 0 DHADRM CSc1cccc(C)c1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599823703 988560144 /nfs/dbraw/zinc/56/01/44/988560144.db2.gz IKRKQDOFOOWVIP-UHFFFAOYSA-N -1 0 322.430 3.626 20 0 DHADRM CSc1ccccc1[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599826151 988601854 /nfs/dbraw/zinc/60/18/54/988601854.db2.gz YZAFKWYMQNHWIZ-XQQFMLRXSA-N -1 0 322.426 3.904 20 0 DHADRM CSc1ccsc1C(=O)OCc1ccccc1C(=O)[O-] ZINC001599826485 988605645 /nfs/dbraw/zinc/60/56/45/988605645.db2.gz NDBGYOSYXFMOMW-UHFFFAOYSA-N -1 0 308.380 3.525 20 0 DHADRM CSc1ccsc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001599826563 988606455 /nfs/dbraw/zinc/60/64/55/988606455.db2.gz QTCKZHNFAYDYTQ-UHFFFAOYSA-N -1 0 322.407 3.834 20 0 DHADRM CCc1nc([C@H](C)NCc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001597656530 988710402 /nfs/dbraw/zinc/71/04/02/988710402.db2.gz QIPYABLLSJEDAT-VIFPVBQESA-N -1 0 324.833 3.908 20 0 DHADRM C[C@](CC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000013250215 1015415029 /nfs/dbraw/zinc/41/50/29/1015415029.db2.gz JODADIWPFBQMCB-QGZVFWFLSA-N -1 0 317.772 3.711 20 0 DHADRM CCc1nc(C)cn1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001597663856 988746066 /nfs/dbraw/zinc/74/60/66/988746066.db2.gz VXUHAKKDIVWIRC-UHFFFAOYSA-N -1 0 318.373 3.854 20 0 DHADRM CCc1nc(CN[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cs1 ZINC001597669805 988761019 /nfs/dbraw/zinc/76/10/19/988761019.db2.gz IBTACINBIBUIHL-OAHLLOKOSA-N -1 0 316.426 3.571 20 0 DHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000054010240 1015421345 /nfs/dbraw/zinc/42/13/45/1015421345.db2.gz AERCAGOJDJBQCP-VIFPVBQESA-N -1 0 323.751 3.684 20 0 DHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000013253770 1015424897 /nfs/dbraw/zinc/42/48/97/1015424897.db2.gz DOVQTLWGFUAKRS-UHFFFAOYSA-N -1 0 307.365 3.888 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001597766539 989213648 /nfs/dbraw/zinc/21/36/48/989213648.db2.gz VLMZUASYYAKXCE-RNCFNFMXSA-N -1 0 319.323 3.703 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(OC)c(C)cc1C ZINC001597767974 989227702 /nfs/dbraw/zinc/22/77/02/989227702.db2.gz YJZSQSKJGURLKW-UHFFFAOYSA-N -1 0 303.358 3.778 20 0 DHADRM CCc1oc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC001597791886 989328283 /nfs/dbraw/zinc/32/82/83/989328283.db2.gz XLGDNOUHZUFDJQ-WDZFZDKYSA-N -1 0 317.728 3.686 20 0 DHADRM CCc1oc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC001597791885 989328292 /nfs/dbraw/zinc/32/82/92/989328292.db2.gz XLGDNOUHZUFDJQ-IZZDOVSWSA-N -1 0 317.728 3.686 20 0 DHADRM CCc1oc(CN(Cc2cccc(F)c2)C2CC2)cc1C(=O)[O-] ZINC001597796363 989354457 /nfs/dbraw/zinc/35/44/57/989354457.db2.gz MZMDKEYWDBOMGY-UHFFFAOYSA-N -1 0 317.360 3.844 20 0 DHADRM CCc1oc(CN2CCc3c(Cl)cccc3C2)cc1C(=O)[O-] ZINC001597798981 989376047 /nfs/dbraw/zinc/37/60/47/989376047.db2.gz KLISMRMDIZHUKD-UHFFFAOYSA-N -1 0 319.788 3.752 20 0 DHADRM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000054211332 1015478064 /nfs/dbraw/zinc/47/80/64/1015478064.db2.gz SJBYACBSZGLREV-INIZCTEOSA-N -1 0 301.773 3.927 20 0 DHADRM C[C@@H]1c2ccccc2CN1c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599883293 989514231 /nfs/dbraw/zinc/51/42/31/989514231.db2.gz KUYBFLVPKGWOTJ-SECBINFHSA-N -1 0 322.286 3.880 20 0 DHADRM C[C@@H]1c2ccccc2CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001599883631 989519672 /nfs/dbraw/zinc/51/96/72/989519672.db2.gz ZBELLQVTLMACND-SECBINFHSA-N -1 0 322.286 3.880 20 0 DHADRM CCn1c(C(=O)Oc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001597840677 989537586 /nfs/dbraw/zinc/53/75/86/989537586.db2.gz SOWVKZRANZFNSH-UHFFFAOYSA-N -1 0 309.321 3.579 20 0 DHADRM CC(C)(C)O[C@H]1C[C@@H](Nc2cccc(CC(=O)[O-])c2)C1(C)C ZINC001590379592 989890787 /nfs/dbraw/zinc/89/07/87/989890787.db2.gz VSPVPPFCQSQXRJ-CABCVRRESA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)(C)SCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001590429403 989981086 /nfs/dbraw/zinc/98/10/86/989981086.db2.gz GOYYSAOQNWHBOY-GFCCVEGCSA-N -1 0 316.806 3.541 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001590434994 989994244 /nfs/dbraw/zinc/99/42/44/989994244.db2.gz RBVBHMVIKMNQHC-HUUCEWRRSA-N -1 0 317.429 3.561 20 0 DHADRM CC(C)(C)Sc1ccc(Nc2ncncc2C(=O)[O-])cc1F ZINC001590435037 989994412 /nfs/dbraw/zinc/99/44/12/989994412.db2.gz SFEPUKDTHGQFHB-UHFFFAOYSA-N -1 0 321.377 3.948 20 0 DHADRM CC(C)(C)Sc1ccc(Nc2nccnc2C(=O)[O-])cc1F ZINC001590435131 989995283 /nfs/dbraw/zinc/99/52/83/989995283.db2.gz WPQHQFFGIVISJC-UHFFFAOYSA-N -1 0 321.377 3.948 20 0 DHADRM CC(C)(C)c1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)s1 ZINC001590475030 990047125 /nfs/dbraw/zinc/04/71/25/990047125.db2.gz CJRXTGSXGZKLEJ-UHFFFAOYSA-N -1 0 309.431 3.563 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC001590494249 990100722 /nfs/dbraw/zinc/10/07/22/990100722.db2.gz SBUQNSAUYDCRHN-VXGBXAGGSA-N -1 0 319.401 3.519 20 0 DHADRM CC(C)(C)c1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC001590499357 990112015 /nfs/dbraw/zinc/11/20/15/990112015.db2.gz SWWONYVEGPYLIF-UHFFFAOYSA-N -1 0 303.402 3.501 20 0 DHADRM CC(C)(CC(=O)[O-])C(=O)OCc1cc(Cl)sc1Cl ZINC001590625227 990307961 /nfs/dbraw/zinc/30/79/61/990307961.db2.gz JPTTZCZQZZQTSX-UHFFFAOYSA-N -1 0 311.186 3.599 20 0 DHADRM CN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC(C)(C)C1 ZINC001598060774 990330895 /nfs/dbraw/zinc/33/08/95/990330895.db2.gz VKXXFAVVNGAYKI-LSDHHAIUSA-N -1 0 316.401 3.527 20 0 DHADRM CN(C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C1CCC1 ZINC001598063434 990341290 /nfs/dbraw/zinc/34/12/90/990341290.db2.gz IBJYKADFLAMSJS-UHFFFAOYSA-N -1 0 322.430 3.731 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001590654045 990345248 /nfs/dbraw/zinc/34/52/48/990345248.db2.gz JHFULMIBWQFBFN-LSDHHAIUSA-N -1 0 309.450 3.743 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)c1cccc2ccccc21 ZINC001598082679 990401005 /nfs/dbraw/zinc/40/10/05/990401005.db2.gz CJAOCVLNMKBSQQ-UHFFFAOYSA-N -1 0 311.362 3.876 20 0 DHADRM CN(C(=O)c1ccsc1C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC001598096158 990449319 /nfs/dbraw/zinc/44/93/19/990449319.db2.gz JBLKDYKQIRUTPK-UHFFFAOYSA-N -1 0 313.737 3.515 20 0 DHADRM CC(C)(CNc1nc(Cl)c(C(=O)[O-])s1)CC(F)(F)F ZINC001590779910 990590612 /nfs/dbraw/zinc/59/06/12/990590612.db2.gz GPTJZBVBGZIZIM-UHFFFAOYSA-N -1 0 316.732 3.885 20 0 DHADRM CC(C)(F)CCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001590833690 990688622 /nfs/dbraw/zinc/68/86/22/990688622.db2.gz LBGCAXLZGNRKNQ-UHFFFAOYSA-N -1 0 324.377 3.859 20 0 DHADRM FC(F)(F)c1nsc(=NCCCSc2ccccc2)[n-]1 ZINC000553240248 1033636644 /nfs/dbraw/zinc/63/66/44/1033636644.db2.gz ZCMHOTPJHWYBEL-UHFFFAOYSA-N -1 0 319.377 3.573 20 0 DHADRM O=C([O-])CCc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000581955140 1015585507 /nfs/dbraw/zinc/58/55/07/1015585507.db2.gz WENBFGJDTDTXNY-GOSISDBHSA-N -1 0 312.365 3.539 20 0 DHADRM CCc1cccc(N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC001141893799 1015594654 /nfs/dbraw/zinc/59/46/54/1015594654.db2.gz NMSMXMJFTMICGM-UHFFFAOYSA-N -1 0 312.394 3.956 20 0 DHADRM COc1cccc(S[C@@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001599683476 990948783 /nfs/dbraw/zinc/94/87/83/990948783.db2.gz OJCFLPUCYZBAKE-OAHLLOKOSA-N -1 0 304.367 3.622 20 0 DHADRM CC(C)C(C)(C)CSCSc1nccc(C(=O)[O-])n1 ZINC001590963630 991066605 /nfs/dbraw/zinc/06/66/05/991066605.db2.gz LMPMDWXPMLARBS-UHFFFAOYSA-N -1 0 300.449 3.640 20 0 DHADRM CC(C)C(C)(C)CSCC(=O)Nc1ccsc1C(=O)[O-] ZINC001590963925 991067577 /nfs/dbraw/zinc/06/75/77/991067577.db2.gz RDMNOCDNJCLFSO-UHFFFAOYSA-N -1 0 315.460 3.800 20 0 DHADRM COc1ccccc1[C@H](C)N(Cc1ccsc1C(=O)[O-])OC ZINC001599699387 991195571 /nfs/dbraw/zinc/19/55/71/991195571.db2.gz ZEMJXILJBNPRAL-NSHDSACASA-N -1 0 321.398 3.580 20 0 DHADRM CN(C)c1cc(NCc2ccc(/C=C/C(=O)[O-])o2)ccc1Cl ZINC001598308132 991280941 /nfs/dbraw/zinc/28/09/41/991280941.db2.gz YRJGWBIECYPISZ-SOFGYWHQSA-N -1 0 320.776 3.709 20 0 DHADRM CC(C)[C@@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001591040623 991380395 /nfs/dbraw/zinc/38/03/95/991380395.db2.gz PHKCJTRDWDVSCE-MRXNPFEDSA-N -1 0 318.394 3.584 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591052757 991462086 /nfs/dbraw/zinc/46/20/86/991462086.db2.gz VNCRTRLBMONVFX-GVDBMIGSSA-N -1 0 317.429 3.733 20 0 DHADRM CC(C)[C@H]1C[C@H]1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001591079129 991570353 /nfs/dbraw/zinc/57/03/53/991570353.db2.gz CJWAFBMZEPPJDQ-HUUCEWRRSA-N -1 0 301.386 3.562 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001591080139 991580479 /nfs/dbraw/zinc/58/04/79/991580479.db2.gz OTCPBDUGPODTSX-JKSUJKDBSA-N -1 0 312.365 3.664 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081679 991593096 /nfs/dbraw/zinc/59/30/96/991593096.db2.gz KHXOATHYTKYLLI-NVXWUHKLSA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081684 991593527 /nfs/dbraw/zinc/59/35/27/991593527.db2.gz KHXOATHYTKYLLI-WBVHZDCISA-N -1 0 317.429 3.648 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001591081753 991593776 /nfs/dbraw/zinc/59/37/76/991593776.db2.gz KVMZKTRPKKALJO-DZGCQCFKSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@@H]1CCCCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591088879 991626521 /nfs/dbraw/zinc/62/65/21/991626521.db2.gz NZSUKZUTVFCAPT-HNNXBMFYSA-N -1 0 309.450 3.839 20 0 DHADRM CC(C)[C@@H]1CCCCCN1C(=O)NCCCCCCC(=O)[O-] ZINC001591088989 991627962 /nfs/dbraw/zinc/62/79/62/991627962.db2.gz OFVOQDZSNKXRMM-HNNXBMFYSA-N -1 0 312.454 3.632 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001591093068 991653163 /nfs/dbraw/zinc/65/31/63/991653163.db2.gz ITRSVWFFPYVMPS-INIZCTEOSA-N -1 0 309.365 3.785 20 0 DHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001591093123 991654593 /nfs/dbraw/zinc/65/45/93/991654593.db2.gz LFXSPEACXARASV-UKRRQHHQSA-N -1 0 322.380 3.668 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1nccc(C(=O)[O-])n1 ZINC001591095252 991678487 /nfs/dbraw/zinc/67/84/87/991678487.db2.gz TYZKASDOHHUEMY-BBRMVZONSA-N -1 0 311.385 3.546 20 0 DHADRM CC(C)[C@@H]1CCc2ccccc2N1Cc1cccc(C(=O)[O-])n1 ZINC001591095431 991679799 /nfs/dbraw/zinc/67/97/99/991679799.db2.gz VGBWHUYIBVKBIB-KRWDZBQOSA-N -1 0 310.397 3.757 20 0 DHADRM CC(C)[C@@H]1CN(Cc2nc(C(=O)[O-])cs2)c2ccccc21 ZINC001591096803 991694066 /nfs/dbraw/zinc/69/40/66/991694066.db2.gz TWWKNIOOCLIKCN-LBPRGKRZSA-N -1 0 302.399 3.601 20 0 DHADRM COc1nc(C)cc(C)c1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC001599730137 991698422 /nfs/dbraw/zinc/69/84/22/991698422.db2.gz PNRGILKZZWIYKX-UHFFFAOYSA-N -1 0 320.776 3.671 20 0 DHADRM CC(C)C[C@H](C(=O)N(CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118619 991784490 /nfs/dbraw/zinc/78/44/90/991784490.db2.gz WHBMGQQBRIQUHB-HNNXBMFYSA-N -1 0 323.820 3.545 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])N(C)Cc1csc(-c2ccccc2)n1 ZINC001591119765 991788163 /nfs/dbraw/zinc/78/81/63/991788163.db2.gz GKFFKMKXCIEVPU-OAHLLOKOSA-N -1 0 318.442 3.741 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001591130069 991820786 /nfs/dbraw/zinc/82/07/86/991820786.db2.gz FDWHVTBAOIOVOC-RISCZKNCSA-N -1 0 311.809 3.654 20 0 DHADRM CC(C)C[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591131748 991830028 /nfs/dbraw/zinc/83/00/28/991830028.db2.gz YMTVONJDVFZILE-CYBMUJFWSA-N -1 0 318.417 3.606 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001591134035 991837247 /nfs/dbraw/zinc/83/72/47/991837247.db2.gz NYGZRHBBVDTGNH-ZOBUZTSGSA-N -1 0 319.445 3.507 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001591137908 991850093 /nfs/dbraw/zinc/85/00/93/991850093.db2.gz GPVILSOVMTUQPW-UKRRQHHQSA-N -1 0 313.438 3.818 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001591138134 991853525 /nfs/dbraw/zinc/85/35/25/991853525.db2.gz QTPSFWWBHFHAKI-UKRRQHHQSA-N -1 0 307.390 3.753 20 0 DHADRM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591191540 992002876 /nfs/dbraw/zinc/00/28/76/992002876.db2.gz AKBVZDUTHCRCCL-KRWDZBQOSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)CC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCC1 ZINC001591193014 992008823 /nfs/dbraw/zinc/00/88/23/992008823.db2.gz UVJSEWSCHVBGLI-HNNXBMFYSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)CC1(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001591197222 992016839 /nfs/dbraw/zinc/01/68/39/992016839.db2.gz DYVKAKBIKUPUBI-LBPRGKRZSA-N -1 0 304.390 3.575 20 0 DHADRM CC(C)CCC[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001591229827 992114358 /nfs/dbraw/zinc/11/43/58/992114358.db2.gz WJDHBZCCWCNVQN-GMBSWORKSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)CCCCC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591236538 992117869 /nfs/dbraw/zinc/11/78/69/992117869.db2.gz JQXJEGHURIOFFM-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CC(C)CCCCCC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001591236700 992118826 /nfs/dbraw/zinc/11/88/26/992118826.db2.gz MECYUCFZQNXXNR-UHFFFAOYSA-N -1 0 318.417 3.666 20 0 DHADRM CC(C)CCCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001591236998 992120776 /nfs/dbraw/zinc/12/07/76/992120776.db2.gz RMVWMSHVOVHQLI-MRXNPFEDSA-N -1 0 323.408 3.717 20 0 DHADRM CC(C)CCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001591246599 992144107 /nfs/dbraw/zinc/14/41/07/992144107.db2.gz SSVSBGZVAXTPCY-UHFFFAOYSA-N -1 0 306.387 3.767 20 0 DHADRM CC(C)CCOc1ccc(NCc2cc(C(=O)[O-])no2)cc1F ZINC001591261224 992172989 /nfs/dbraw/zinc/17/29/89/992172989.db2.gz WYDQMNFYNFYSRZ-UHFFFAOYSA-N -1 0 322.336 3.549 20 0 DHADRM CN(CCCc1ccccc1)c1ncc(C(=O)[O-])cc1Cl ZINC001598485856 992204869 /nfs/dbraw/zinc/20/48/69/992204869.db2.gz WNAUSEULTOWNMT-UHFFFAOYSA-N -1 0 304.777 3.502 20 0 DHADRM CC(C)CN(C(=O)c1cc(F)cc2ccoc21)C(C)(C)C(=O)[O-] ZINC001591285533 992226051 /nfs/dbraw/zinc/22/60/51/992226051.db2.gz WDAZUXPUOVJFEX-UHFFFAOYSA-N -1 0 321.348 3.533 20 0 DHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC001591290733 992238872 /nfs/dbraw/zinc/23/88/72/992238872.db2.gz DXHGJZXGTSLVKY-CQSZACIVSA-N -1 0 313.397 3.513 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001591323437 992294924 /nfs/dbraw/zinc/29/49/24/992294924.db2.gz DURNYPNNWXTCIL-UHFFFAOYSA-N -1 0 321.461 3.552 20 0 DHADRM CS[C@@H](C(=O)Nc1sc(C)cc1C(=O)[O-])c1ccccc1 ZINC001599780766 992361344 /nfs/dbraw/zinc/36/13/44/992361344.db2.gz KROMVGXRJNTSQD-GFCCVEGCSA-N -1 0 321.423 3.798 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591441901 992539279 /nfs/dbraw/zinc/53/92/79/992539279.db2.gz XOZNVJKUGHFMHM-BRWVUGGUSA-N -1 0 323.477 3.989 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cscc1Cl ZINC001598512489 992578118 /nfs/dbraw/zinc/57/81/18/992578118.db2.gz KBCIXASOMXBJQU-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM CC(C)Cc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)s1 ZINC001591477035 992596373 /nfs/dbraw/zinc/59/63/73/992596373.db2.gz GQASKMCBJULRKV-UHFFFAOYSA-N -1 0 323.458 3.806 20 0 DHADRM CC(C)Cc1cccc([C@H](C)C(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC001591488617 992616742 /nfs/dbraw/zinc/61/67/42/992616742.db2.gz HJNJCYURNKUPDR-HNNXBMFYSA-N -1 0 319.445 3.558 20 0 DHADRM CC(C)Cc1noc(CNc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC001591498016 992635949 /nfs/dbraw/zinc/63/59/49/992635949.db2.gz PKCWYIVRNCNECU-UHFFFAOYSA-N -1 0 317.389 3.702 20 0 DHADRM CC(C)N(C(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(F)c1 ZINC001591538791 992718513 /nfs/dbraw/zinc/71/85/13/992718513.db2.gz OVUOIUUNCQFBFN-UHFFFAOYSA-N -1 0 321.392 3.992 20 0 DHADRM CC(C)N(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001591543098 992725097 /nfs/dbraw/zinc/72/50/97/992725097.db2.gz YSNJUAJQYCMNCV-UHFFFAOYSA-N -1 0 301.317 3.579 20 0 DHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001591565519 992771231 /nfs/dbraw/zinc/77/12/31/992771231.db2.gz OAAYDQXBWNQJNQ-UHFFFAOYSA-N -1 0 311.809 3.573 20 0 DHADRM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)Cc1cccnc1 ZINC001598530986 992780575 /nfs/dbraw/zinc/78/05/75/992780575.db2.gz LWDJCKATDOTMCB-UHFFFAOYSA-N -1 0 322.364 3.672 20 0 DHADRM CN(Cc1csc(-c2ccoc2)n1)c1ccccc1C(=O)[O-] ZINC001598532873 992807624 /nfs/dbraw/zinc/80/76/24/992807624.db2.gz FGVTXKJFQDPSHU-UHFFFAOYSA-N -1 0 314.366 3.738 20 0 DHADRM CN(Cc1ccsc1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598534122 992829294 /nfs/dbraw/zinc/82/92/94/992829294.db2.gz PGGYSZBVJDXAPU-ZDUSSCGKSA-N -1 0 313.781 3.798 20 0 DHADRM O=C(NC1(C2CCC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000622741406 1015745425 /nfs/dbraw/zinc/74/54/25/1015745425.db2.gz CEZQTDFQYDHWQU-UHFFFAOYSA-N -1 0 300.185 3.762 20 0 DHADRM CN(c1nc(-c2c[nH]c3ccc(C(=O)[O-])cc32)cs1)C1CC1 ZINC001598547098 992957960 /nfs/dbraw/zinc/95/79/60/992957960.db2.gz UPGUHGIJEOEJSU-UHFFFAOYSA-N -1 0 313.382 3.588 20 0 DHADRM CC(C)c1occc1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000684562739 1015749609 /nfs/dbraw/zinc/74/96/09/1015749609.db2.gz AMDLCZZJJXWANG-UHFFFAOYSA-N -1 0 311.341 3.751 20 0 DHADRM O=C([O-])C1(CNC(=O)c2cc3cccc(Cl)c3s2)CCC1 ZINC000582005881 1015782883 /nfs/dbraw/zinc/78/28/83/1015782883.db2.gz OXEWXQVQQNFZNY-UHFFFAOYSA-N -1 0 323.801 3.539 20 0 DHADRM Cc1ccccc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000522620253 1015784552 /nfs/dbraw/zinc/78/45/52/1015784552.db2.gz WSDOHJKSIQAFIP-IBGZPJMESA-N -1 0 317.429 3.673 20 0 DHADRM COc1ccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001599593481 993718919 /nfs/dbraw/zinc/71/89/19/993718919.db2.gz WBNYLVGPJLLRFR-NSHDSACASA-N -1 0 314.341 3.527 20 0 DHADRM COc1ccc(NCc2cc(C(=O)[O-])ccc2Cl)c(OC)c1 ZINC001599596865 993760156 /nfs/dbraw/zinc/76/01/56/993760156.db2.gz CDNCYBUWNVCEOU-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM COc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)c2ncccc12 ZINC001599597543 993768191 /nfs/dbraw/zinc/76/81/91/993768191.db2.gz XWWWDTLSZKZYKX-TWGQIWQCSA-N -1 0 324.336 3.546 20 0 DHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC001599599472 993794153 /nfs/dbraw/zinc/79/41/53/993794153.db2.gz SZEJBMSXDVEBAC-HNNXBMFYSA-N -1 0 321.760 3.595 20 0 DHADRM CCOc1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)cc(Cl)c1O ZINC000458162877 1015809414 /nfs/dbraw/zinc/80/94/14/1015809414.db2.gz YHVGBPVALJJMAJ-CZUORRHYSA-N -1 0 311.809 3.609 20 0 DHADRM CCOc1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)cc(Cl)c1O ZINC000458162880 1015809495 /nfs/dbraw/zinc/80/94/95/1015809495.db2.gz YHVGBPVALJJMAJ-XJKSGUPXSA-N -1 0 311.809 3.609 20 0 DHADRM C[C@@H](NC(=S)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001593189614 994113224 /nfs/dbraw/zinc/11/32/24/994113224.db2.gz HPTNMBQEYOCICI-SNVBAGLBSA-N -1 0 318.373 3.572 20 0 DHADRM C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1nc(C(=O)[O-])co1 ZINC001593207333 994217080 /nfs/dbraw/zinc/21/70/80/994217080.db2.gz CIGRSQNZIPRZQK-IAQYHMDHSA-N -1 0 300.358 3.565 20 0 DHADRM C[C@H](NC1(c2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC001593210949 994258842 /nfs/dbraw/zinc/25/88/42/994258842.db2.gz UXSIBYJFTRVXBK-VIFPVBQESA-N -1 0 322.817 3.835 20 0 DHADRM C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593218738 994290606 /nfs/dbraw/zinc/29/06/06/994290606.db2.gz KAVTXPSTRWOBRM-YGRLFVJLSA-N -1 0 319.332 3.681 20 0 DHADRM COc1ccc2nc(/C=C/c3cc(C(=O)[O-])co3)sc2c1 ZINC001599636558 994296325 /nfs/dbraw/zinc/29/63/25/994296325.db2.gz FLZFVRGLPMNWFE-HWKANZROSA-N -1 0 301.323 3.767 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CCC(C)(C)C ZINC001599643893 994397057 /nfs/dbraw/zinc/39/70/57/994397057.db2.gz HEVMXJLERAWOBX-LLVKDONJSA-N -1 0 308.374 3.761 20 0 DHADRM COc1cccc([C@@H](Oc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001599661711 994665641 /nfs/dbraw/zinc/66/56/41/994665641.db2.gz QATLCSVYNPPVEI-CQSZACIVSA-N -1 0 310.708 3.692 20 0 DHADRM COc1cccc([C@H](Sc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001599662384 994676251 /nfs/dbraw/zinc/67/62/51/994676251.db2.gz ZATIXJUGOIUKRU-ZDUSSCGKSA-N -1 0 309.774 3.662 20 0 DHADRM C[C@H](NCc1ccc2sccc2c1)c1ncc(C(=O)[O-])s1 ZINC001593303759 994738071 /nfs/dbraw/zinc/73/80/71/994738071.db2.gz 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C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000676347759 1018707511 /nfs/dbraw/zinc/70/75/11/1018707511.db2.gz NJJIRQLSFBUACJ-SECBINFHSA-N -1 0 321.298 3.569 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000003102061 1018757595 /nfs/dbraw/zinc/75/75/95/1018757595.db2.gz ZHSQNYTUKSYUAX-UHFFFAOYSA-N -1 0 310.444 3.550 20 0 DHADRM C[C@H](Nc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091896 1018772318 /nfs/dbraw/zinc/77/23/18/1018772318.db2.gz JTNDTJSQSJJEPI-LPEHRKFASA-N -1 0 316.323 3.648 20 0 DHADRM COC(=O)c1c(F)ccc(F)c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211606006 1018819864 /nfs/dbraw/zinc/81/98/64/1018819864.db2.gz GBUSQTPROMDNEX-UHFFFAOYSA-N -1 0 321.279 3.502 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(-c2ccc(C3(CO)CC3)cc2)c1 ZINC000584005414 1018823153 /nfs/dbraw/zinc/82/31/53/1018823153.db2.gz SSLMUIZRVBWFBJ-UHFFFAOYSA-N -1 0 310.393 3.740 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000650794129 1018941432 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[NH3+]CC[C@H]1CN(c2cc([S-])cc([S-])c2)c2ccccc21 ZINC001168548431 1019000990 /nfs/dbraw/zinc/00/09/90/1019000990.db2.gz NMYLBFNUWIKPKB-NSHDSACASA-N -1 0 302.468 3.848 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000923092098 1019021996 /nfs/dbraw/zinc/02/19/96/1019021996.db2.gz ITJMWKNNXOORNW-LBPRGKRZSA-N -1 0 319.357 3.562 20 0 DHADRM Cc1cc(C)c(CC(=O)Nc2cc(C(=O)[O-])sc2C)s1 ZINC000923091688 1019022128 /nfs/dbraw/zinc/02/21/28/1019022128.db2.gz GRTDIJVOTLGUHY-UHFFFAOYSA-N -1 0 309.412 3.614 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923095543 1019023547 /nfs/dbraw/zinc/02/35/47/1019023547.db2.gz VNAUVMHLHZJFQM-ZJUUUORDSA-N -1 0 321.423 3.867 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000159242569 1019028712 /nfs/dbraw/zinc/02/87/12/1019028712.db2.gz PSZAZCIZZGNEJY-GHMZBOCLSA-N -1 0 323.179 3.836 20 0 DHADRM COc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1F ZINC001239346638 1019028915 /nfs/dbraw/zinc/02/89/15/1019028915.db2.gz 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ZINC000672256046 1019058307 /nfs/dbraw/zinc/05/83/07/1019058307.db2.gz ZXHQFEPUGAZQIR-UHFFFAOYSA-N -1 0 324.218 3.561 20 0 DHADRM CC(C)C[C@](C)(CNC(=O)c1sccc1C(F)F)C(=O)[O-] ZINC000923187888 1019059499 /nfs/dbraw/zinc/05/94/99/1019059499.db2.gz NNWFMHBTACKMIT-CQSZACIVSA-N -1 0 319.373 3.553 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000671643075 1019102766 /nfs/dbraw/zinc/10/27/66/1019102766.db2.gz AJMWOYLYDXZZFI-QWHCGFSZSA-N -1 0 307.777 3.508 20 0 DHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000013250221 1019115796 /nfs/dbraw/zinc/11/57/96/1019115796.db2.gz WLCXLWWGUXEWTA-CQSZACIVSA-N -1 0 303.745 3.537 20 0 DHADRM Cc1ccc(Cl)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013249306 1019115806 /nfs/dbraw/zinc/11/58/06/1019115806.db2.gz GTRDWMDOPALZMS-CQSZACIVSA-N -1 0 317.772 3.845 20 0 DHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211616313 1019170833 /nfs/dbraw/zinc/17/08/33/1019170833.db2.gz HIMLPYUYGNRCSK-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM Cn1ccc2c1cccc2C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012766 1019215979 /nfs/dbraw/zinc/21/59/79/1019215979.db2.gz KWYLWVYPNZPWBM-UHFFFAOYSA-N -1 0 300.745 3.790 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1coc(Br)c1 ZINC000077012609 1019216999 /nfs/dbraw/zinc/21/69/99/1019216999.db2.gz FXFWLZMGJOWOLC-UHFFFAOYSA-N -1 0 316.538 3.653 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)c1ccncc1 ZINC000672485515 1019246456 /nfs/dbraw/zinc/24/64/56/1019246456.db2.gz JKUKGLBIETUTOH-VIFPVBQESA-N -1 0 308.740 3.712 20 0 DHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000033931472 1019259392 /nfs/dbraw/zinc/25/93/92/1019259392.db2.gz OEYJBIUHFNGWJO-UHFFFAOYSA-N -1 0 304.415 3.570 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000084410666 1019267427 /nfs/dbraw/zinc/26/74/27/1019267427.db2.gz YNHWCCNDGWLYQR-UHFFFAOYSA-N -1 0 323.726 3.522 20 0 DHADRM CC1(C)Cc2ccccc2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000626064185 1019276943 /nfs/dbraw/zinc/27/69/43/1019276943.db2.gz FFPYKOOPYLQXAM-UHFFFAOYSA-N -1 0 311.410 3.738 20 0 DHADRM CC(C)C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000113402370 1019277665 /nfs/dbraw/zinc/27/76/65/1019277665.db2.gz DLKSSLLRSLLIDI-OAHLLOKOSA-N -1 0 305.349 3.675 20 0 DHADRM COc1ccc2ncc(Nc3ccc(C(=O)[O-])cc3C)cc2c1 ZINC001211618820 1019300100 /nfs/dbraw/zinc/30/01/00/1019300100.db2.gz SVBXQHVXJJWMDE-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM CCc1cccc(C)c1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000322217049 1019337059 /nfs/dbraw/zinc/33/70/59/1019337059.db2.gz VZZVYEPANVHNRY-AWEZNQCLSA-N -1 0 320.433 3.816 20 0 DHADRM C[C@H](NC(=O)[O-])C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000739022846 1019364269 /nfs/dbraw/zinc/36/42/69/1019364269.db2.gz FVEYMCJTJMUZTO-RYUDHWBXSA-N -1 0 310.825 3.769 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000740114645 1019384885 /nfs/dbraw/zinc/38/48/85/1019384885.db2.gz SXMIMOKCIIYTGE-JTQLQIEISA-N -1 0 303.318 3.561 20 0 DHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000013429009 1019391759 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CC[C@H](C)[C@H](NC(=O)c1cccc(Cl)c1[O-])C(F)(F)F ZINC001128426971 1019651582 /nfs/dbraw/zinc/65/15/82/1019651582.db2.gz PTZGFRXUPHSLEV-CPCISQLKSA-N -1 0 309.715 3.752 20 0 DHADRM CCCC[C@H](CC)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262529725 1019761608 /nfs/dbraw/zinc/76/16/08/1019761608.db2.gz HTUPGXSIJCYFMO-MNOVXSKESA-N -1 0 312.435 3.543 20 0 DHADRM O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000281512360 1019770123 /nfs/dbraw/zinc/77/01/23/1019770123.db2.gz ISRBWOYAUDSDEO-SJORKVTESA-N -1 0 323.392 3.519 20 0 DHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])cc2C)c1C ZINC001211624464 1019840294 /nfs/dbraw/zinc/84/02/94/1019840294.db2.gz IXEZVNKUASNDTG-UHFFFAOYSA-N -1 0 313.353 3.956 20 0 DHADRM CC(C)(C)c1nc(CN[C@H](CC(=O)[O-])c2cccs2)cs1 ZINC000169288328 1019898352 /nfs/dbraw/zinc/89/83/52/1019898352.db2.gz IXLYDHKHIFMJCZ-LLVKDONJSA-N -1 0 324.471 3.808 20 0 DHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000729971419 1019932052 /nfs/dbraw/zinc/93/20/52/1019932052.db2.gz 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1023979089 /nfs/dbraw/zinc/97/90/89/1023979089.db2.gz ODTPLDFUCXEOML-KRWDZBQOSA-N -1 0 301.361 3.865 20 0 DHADRM COc1cc(F)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000663299119 1024043757 /nfs/dbraw/zinc/04/37/57/1024043757.db2.gz FGBOOKASUJUWCY-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM CCCCc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000321334915 1024053474 /nfs/dbraw/zinc/05/34/74/1024053474.db2.gz ATOYKMNZOBXHJW-INIZCTEOSA-N -1 0 318.417 3.890 20 0 DHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(C2CC2)cc1 ZINC000882772932 1024129047 /nfs/dbraw/zinc/12/90/47/1024129047.db2.gz RSXHUTZFELHMEA-UHFFFAOYSA-N -1 0 320.439 3.699 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)NCCCCCCC(=O)[O-] ZINC000269128246 1024245852 /nfs/dbraw/zinc/24/58/52/1024245852.db2.gz AASWUMLNJKPQBW-OAHLLOKOSA-N -1 0 323.458 3.709 20 0 DHADRM O=C([O-])/C=C/c1cnc(/C=C/c2ccnn2-c2ccccc2)s1 ZINC000790600283 1024334551 /nfs/dbraw/zinc/33/45/51/1024334551.db2.gz JLOFFNNHLGAHDW-CDJQDVQCSA-N -1 0 323.377 3.597 20 0 DHADRM C[C@@H](CCc1ccccc1)OC(=O)c1c(F)cc([O-])cc1F ZINC000746987093 1024458658 /nfs/dbraw/zinc/45/86/58/1024458658.db2.gz MGGHLTYXCJTHFD-NSHDSACASA-N -1 0 306.308 3.849 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Cl ZINC000317594808 1024556688 /nfs/dbraw/zinc/55/66/88/1024556688.db2.gz RUDCKMBOBWFOKD-RUDMXATFSA-N -1 0 315.756 3.999 20 0 DHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(OC(C)C)cc2)s[n-]1 ZINC000337912809 1033226835 /nfs/dbraw/zinc/22/68/35/1033226835.db2.gz KUXWGRVTGBRWCE-VXGBXAGGSA-N -1 0 321.446 3.628 20 0 DHADRM O=C(c1c(F)ccc(O)c1F)N1CCc2ccc(Cl)cc2C1 ZINC000348971408 1024655702 /nfs/dbraw/zinc/65/57/02/1024655702.db2.gz YWLMQYBXOBZEGI-UHFFFAOYSA-N -1 0 323.726 3.522 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(OC(C)C)cc2)s[n-]1 ZINC000337912806 1033228134 /nfs/dbraw/zinc/22/81/34/1033228134.db2.gz KUXWGRVTGBRWCE-NWDGAFQWSA-N -1 0 321.446 3.628 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000262920332 1024676971 /nfs/dbraw/zinc/67/69/71/1024676971.db2.gz 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1024790379 /nfs/dbraw/zinc/79/03/79/1024790379.db2.gz SBQKMCMSOQQPDA-UHFFFAOYSA-N -1 0 311.381 3.878 20 0 DHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccccc2SC)s[n-]1 ZINC000337935623 1033235148 /nfs/dbraw/zinc/23/51/48/1033235148.db2.gz KIFCIUJISHIJCJ-NXEZZACHSA-N -1 0 309.460 3.562 20 0 DHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(F)c1[O-] ZINC001126666809 1024820405 /nfs/dbraw/zinc/82/04/05/1024820405.db2.gz DAXNAONEXBTYNC-QFYYESIMSA-N -1 0 317.335 3.724 20 0 DHADRM CCCCCC[C@@H](CCCC)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001172518443 1033240194 /nfs/dbraw/zinc/24/01/94/1033240194.db2.gz YFLPSYWBKXQKOC-CABCVRRESA-N -1 0 315.454 3.512 20 0 DHADRM Cc1nc(C)c([N-]S(=O)(=O)c2csc3ccccc23)s1 ZINC000350866037 1024859836 /nfs/dbraw/zinc/85/98/36/1024859836.db2.gz CSPVRRODQMCSLK-UHFFFAOYSA-N -1 0 324.452 3.775 20 0 DHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000350865158 1024861411 /nfs/dbraw/zinc/86/14/11/1024861411.db2.gz ASEXNFARWIILML-UHFFFAOYSA-N -1 0 303.355 3.661 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000634860389 1024924573 /nfs/dbraw/zinc/92/45/73/1024924573.db2.gz SHCNYOLYBNMRCU-ZBEGNZNMSA-N -1 0 311.809 3.750 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC000236844260 1024944798 /nfs/dbraw/zinc/94/47/98/1024944798.db2.gz YFYQTYUIPSQZSD-GFCCVEGCSA-N -1 0 305.399 3.665 20 0 DHADRM CC(C)Sc1cccc(Cl)c1CN(C)[C@H](C)C(=O)[O-] ZINC000263377553 1024949072 /nfs/dbraw/zinc/94/90/72/1024949072.db2.gz AXXBXDUSCLWBLX-SNVBAGLBSA-N -1 0 301.839 3.745 20 0 DHADRM C[C@H](CN(C)C(=O)c1c(F)ccc(O)c1F)c1ccccc1 ZINC000348313306 1024949349 /nfs/dbraw/zinc/94/93/49/1024949349.db2.gz XENKLGPLBGTRED-LLVKDONJSA-N -1 0 305.324 3.546 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000320078372 1024951971 /nfs/dbraw/zinc/95/19/71/1024951971.db2.gz NZMDQUZGXSBKEW-QZTBCQRESA-N -1 0 311.312 3.575 20 0 DHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263519185 1025067652 /nfs/dbraw/zinc/06/76/52/1025067652.db2.gz 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/nfs/dbraw/zinc/28/45/06/1025284506.db2.gz KILGECUNMOGKRN-NVXWUHKLSA-N -1 0 322.408 3.591 20 0 DHADRM CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2ccc(O)c(Cl)c2)C1(C)C ZINC000353991922 1025312507 /nfs/dbraw/zinc/31/25/07/1025312507.db2.gz FLHGOYKCXKTGOC-JQWIXIFHSA-N -1 0 309.793 3.626 20 0 DHADRM CC(Cl)(Cl)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000804680878 1025429915 /nfs/dbraw/zinc/42/99/15/1025429915.db2.gz WYMHUEHKMOQADW-UHFFFAOYSA-N -1 0 316.562 3.742 20 0 DHADRM C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000426696823 1025469326 /nfs/dbraw/zinc/46/93/26/1025469326.db2.gz QPOOOMDTLVTKGQ-FRRDWIJNSA-N -1 0 324.490 3.637 20 0 DHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)s2)c(C)c1 ZINC000048655850 1025487136 /nfs/dbraw/zinc/48/71/36/1025487136.db2.gz CKLMBNYQQWZHNA-UHFFFAOYSA-N -1 0 311.428 3.564 20 0 DHADRM CSc1ccc(C)c(NC(=O)CC2(CC(=O)[O-])CCC2)c1 ZINC000643342514 1025524265 /nfs/dbraw/zinc/52/42/65/1025524265.db2.gz KAKDOYFHZFVJCS-UHFFFAOYSA-N -1 0 307.415 3.691 20 0 DHADRM CC(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1C ZINC000805254863 1025565529 /nfs/dbraw/zinc/56/55/29/1025565529.db2.gz IDLBQZOUFHYUDG-UHFFFAOYSA-N -1 0 321.735 3.948 20 0 DHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cnc2ccccc2c1O ZINC000355159651 1025618816 /nfs/dbraw/zinc/61/88/16/1025618816.db2.gz HNOSEGYXNFMFBF-CQSZACIVSA-N -1 0 320.392 3.636 20 0 DHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000048655814 1025666259 /nfs/dbraw/zinc/66/62/59/1025666259.db2.gz ZXXDSHXEVOGJNN-UHFFFAOYSA-N -1 0 311.428 3.564 20 0 DHADRM Cc1nc(=N[C@H](COc2ccccc2)c2ccccc2)s[n-]1 ZINC000536615482 1025721425 /nfs/dbraw/zinc/72/14/25/1025721425.db2.gz YJCXMVICCUXLLT-MRXNPFEDSA-N -1 0 311.410 3.501 20 0 DHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000171270328 1025741775 /nfs/dbraw/zinc/74/17/75/1025741775.db2.gz XTLOMTYOJOXPFE-SECBINFHSA-N -1 0 314.332 3.858 20 0 DHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1Cc1cccc(F)c1 ZINC000614187351 1025828884 /nfs/dbraw/zinc/82/88/84/1025828884.db2.gz VEJNUDQCLHPXSH-UHFFFAOYSA-N 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CC[C@@H](C)c1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)on1 ZINC000356630728 1026106881 /nfs/dbraw/zinc/10/68/81/1026106881.db2.gz QZZVZVXVSDPICJ-MRVPVSSYSA-N -1 0 318.358 3.552 20 0 DHADRM COc1ccc(-c2csc(-c3ccco3)n2)c2occ([O-])c21 ZINC000356966661 1026249060 /nfs/dbraw/zinc/24/90/60/1026249060.db2.gz RVQRYMHSENYMJK-UHFFFAOYSA-N -1 0 313.334 3.654 20 0 DHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237068804 1026291380 /nfs/dbraw/zinc/29/13/80/1026291380.db2.gz ZPOHSJMMKJOQJU-SNVBAGLBSA-N -1 0 321.423 3.657 20 0 DHADRM O=C(Nc1ccc(Cl)cc1F)c1cc(=O)c2ccccc2[n-]1 ZINC000052634114 1026345136 /nfs/dbraw/zinc/34/51/36/1026345136.db2.gz LGHJGABCUMAVDG-UHFFFAOYSA-N -1 0 316.719 3.573 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000571520117 1026427615 /nfs/dbraw/zinc/42/76/15/1026427615.db2.gz BUALENOJTDEPCU-FTNGCUSPSA-N -1 0 302.823 3.649 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)o1 ZINC000262229177 1026485893 /nfs/dbraw/zinc/48/58/93/1026485893.db2.gz SDAPDLDZOYLHEM-LBPRGKRZSA-N -1 0 319.744 3.609 20 0 DHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000408489587 1026499725 /nfs/dbraw/zinc/49/97/25/1026499725.db2.gz UMHGQNUPWKYVPF-CQSZACIVSA-N -1 0 323.458 3.554 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CCCC1)c1cccc2ccccc21 ZINC000262988265 1026533526 /nfs/dbraw/zinc/53/35/26/1026533526.db2.gz JYPNXJNHGGMNOB-QGZVFWFLSA-N -1 0 311.381 3.662 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000263258181 1026543278 /nfs/dbraw/zinc/54/32/78/1026543278.db2.gz FYLXHCATOBKFCL-INIZCTEOSA-N -1 0 303.402 3.775 20 0 DHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCCC(=O)[O-] ZINC000263270208 1026543547 /nfs/dbraw/zinc/54/35/47/1026543547.db2.gz IANJQMMBTZGYSL-IRXDYDNUSA-N -1 0 317.429 3.816 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000263392566 1026549629 /nfs/dbraw/zinc/54/96/29/1026549629.db2.gz DXYYVAHWOKJSFK-AWEZNQCLSA-N -1 0 323.392 3.924 20 0 DHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)nn1C(C)C ZINC000421180226 1026940930 /nfs/dbraw/zinc/94/09/30/1026940930.db2.gz FFHCBFJXFYSXJE-UHFFFAOYSA-N -1 0 321.446 3.697 20 0 DHADRM O=C([O-])c1cnc(F)c(-c2cc(F)ccc2C(F)(F)F)c1 ZINC001244759332 1027060927 /nfs/dbraw/zinc/06/09/27/1027060927.db2.gz FSRMIPFNIAEZGX-UHFFFAOYSA-N -1 0 303.186 3.744 20 0 DHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811812220 1027090243 /nfs/dbraw/zinc/09/02/43/1027090243.db2.gz OWCIBNPLUQYJEC-JTQLQIEISA-N -1 0 303.745 3.529 20 0 DHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816499 1027101387 /nfs/dbraw/zinc/10/13/87/1027101387.db2.gz BCXURFOPQDNXSL-SWLSCSKDSA-N -1 0 323.820 3.983 20 0 DHADRM CC(=O)c1ccc(N(C)C(=O)c2cccc(Cl)c2[O-])cc1 ZINC001133055207 1027108082 /nfs/dbraw/zinc/10/80/82/1027108082.db2.gz WRWGQEQXDARYJK-UHFFFAOYSA-N -1 0 303.745 3.525 20 0 DHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000271899080 1027173907 /nfs/dbraw/zinc/17/39/07/1027173907.db2.gz PXHVAXTWCUHVIF-UHFFFAOYSA-N -1 0 311.428 3.728 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCCC=C(C)C ZINC000572838413 1027234340 /nfs/dbraw/zinc/23/43/40/1027234340.db2.gz OBFBYHNIXYQADF-INIZCTEOSA-N -1 0 318.417 3.590 20 0 DHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[N-]OC/C=C\Cl ZINC000812399489 1027261396 /nfs/dbraw/zinc/26/13/96/1027261396.db2.gz PIHCLUCLBQDMSS-OJIASSBASA-N -1 0 311.809 3.552 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@]23C[C@@H]2CCC3)c1 ZINC000422556737 1027282619 /nfs/dbraw/zinc/28/26/19/1027282619.db2.gz GSLJWFQHSJIAFH-GUYCJALGSA-N -1 0 319.426 3.523 20 0 DHADRM Cc1cc(NC(=O)[C@H](C)c2cccs2)cc(C(=O)[O-])c1C ZINC000362623607 1027317941 /nfs/dbraw/zinc/31/79/41/1027317941.db2.gz PKZCFRRCUFRKIS-LLVKDONJSA-N -1 0 303.383 3.805 20 0 DHADRM CC(C)OCc1cccc(N=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000574386583 1027388601 /nfs/dbraw/zinc/38/86/01/1027388601.db2.gz AEJPLWZVANTYDP-UHFFFAOYSA-N -1 0 317.336 3.647 20 0 DHADRM CC(C)(C)C(=O)CCCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000295690220 1027391873 /nfs/dbraw/zinc/39/18/73/1027391873.db2.gz JAWOPQANHJAOAR-UHFFFAOYSA-N -1 0 315.772 3.909 20 0 DHADRM CC[C@@H](C)[C@H](C)N(C(=O)CC1CCC(C(=O)[O-])CC1)C1CC1 ZINC000574455403 1027394169 /nfs/dbraw/zinc/39/41/69/1027394169.db2.gz BKSGQZJXEOGQAP-DNDYEEKYSA-N -1 0 309.450 3.693 20 0 DHADRM CC(C)c1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000562432465 1027432372 /nfs/dbraw/zinc/43/23/72/1027432372.db2.gz FXAWAZBXQMXLQO-LBPRGKRZSA-N -1 0 304.390 3.670 20 0 DHADRM CC1(C)[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C[C@@H]21 ZINC000575412557 1027483489 /nfs/dbraw/zinc/48/34/89/1027483489.db2.gz FAIGIOGXFIFTCZ-GBIKHYSHSA-N -1 0 314.212 3.707 20 0 DHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC2(CC2)CC1 ZINC000932468722 1027508303 /nfs/dbraw/zinc/50/83/03/1027508303.db2.gz KWIOYICMYHYHRU-UHFFFAOYSA-N -1 0 300.185 3.715 20 0 DHADRM O=C([O-])c1cc(-c2ncnc3ccoc32)c(Cl)cc1Cl ZINC001244999451 1027597470 /nfs/dbraw/zinc/59/74/70/1027597470.db2.gz DIDPGSGGTQQIND-UHFFFAOYSA-N -1 0 309.108 3.895 20 0 DHADRM O=C(c1cccc(F)c1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000932807309 1027613811 /nfs/dbraw/zinc/61/38/11/1027613811.db2.gz QLQPSNJLRCMCIA-UHFFFAOYSA-N -1 0 317.335 3.518 20 0 DHADRM O=C(c1cccc(F)c1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000933030263 1027664941 /nfs/dbraw/zinc/66/49/41/1027664941.db2.gz KDQJCPFVMOMXHW-UHFFFAOYSA-N -1 0 317.335 3.518 20 0 DHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000576928433 1027680119 /nfs/dbraw/zinc/68/01/19/1027680119.db2.gz PIDZMXXLUDBZQR-VBROQKIQSA-N -1 0 304.390 3.525 20 0 DHADRM CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000576933020 1027681792 /nfs/dbraw/zinc/68/17/92/1027681792.db2.gz SEGJCNANWHJANP-HNNXBMFYSA-N -1 0 320.433 3.526 20 0 DHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(F)c1[O-] ZINC000933196045 1027693389 /nfs/dbraw/zinc/69/33/89/1027693389.db2.gz FQOWHZFBCNRIKN-WCQYABFASA-N -1 0 317.335 3.689 20 0 DHADRM CN(C)c1cc(NC(=O)c2cccc(F)c2[O-])ccc1Cl ZINC001133928441 1027728503 /nfs/dbraw/zinc/72/85/03/1027728503.db2.gz XFTNKUHVUSARBQ-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000365220315 1027904406 /nfs/dbraw/zinc/90/44/06/1027904406.db2.gz GIEBVFOZQWPNRO-UWVGGRQHSA-N -1 0 307.396 3.558 20 0 DHADRM C[C@@H](ONC(=O)C[C@@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633518 1027985176 /nfs/dbraw/zinc/98/51/76/1027985176.db2.gz IDFUQGGEXBMWSZ-DOMZBBRYSA-N -1 0 317.410 3.561 20 0 DHADRM Cc1oc([C@H](C)N2Cc3ccccc3O[C@@H](C)C2)cc1C(=O)[O-] ZINC000578084126 1028042384 /nfs/dbraw/zinc/04/23/84/1028042384.db2.gz QEGGKTDUFFQGJN-RYUDHWBXSA-N -1 0 315.369 3.630 20 0 DHADRM Cc1nn(C)cc1-c1ccc(C2(C(=O)[O-])CCCCC2)cc1C ZINC000563438770 1028044781 /nfs/dbraw/zinc/04/47/81/1028044781.db2.gz RZVQHQHHKNVNPO-UHFFFAOYSA-N -1 0 312.413 3.990 20 0 DHADRM Cc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000578206505 1028090125 /nfs/dbraw/zinc/09/01/25/1028090125.db2.gz VYEMQKGJPYLTNE-UHFFFAOYSA-N -1 0 323.392 3.599 20 0 DHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000048576053 1028150430 /nfs/dbraw/zinc/15/04/30/1028150430.db2.gz MDRVKMDEXLGTLS-UHFFFAOYSA-N -1 0 323.801 3.650 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(CC(C)C)s2)c1 ZINC000935258913 1028234666 /nfs/dbraw/zinc/23/46/66/1028234666.db2.gz AYACUTPPJVWYNB-UHFFFAOYSA-N -1 0 318.398 3.502 20 0 DHADRM CCCC[C@H](CC)C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448987644 1028240133 /nfs/dbraw/zinc/24/01/33/1028240133.db2.gz BWSPGFCLIJGCPM-SCLBCKFNSA-N -1 0 323.408 3.501 20 0 DHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000935436030 1028277103 /nfs/dbraw/zinc/27/71/03/1028277103.db2.gz CGHAMUZQCAVKEG-ZANVPECISA-N -1 0 315.772 3.574 20 0 DHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCCC2(CC2)C1 ZINC000935444887 1028279558 /nfs/dbraw/zinc/27/95/58/1028279558.db2.gz FNBDPUKLGLUJIJ-UHFFFAOYSA-N -1 0 300.185 3.715 20 0 DHADRM O=C(CC1CCC(C(=O)[O-])CC1)N[C@@H](c1cccs1)C1CC1 ZINC000579010401 1028300808 /nfs/dbraw/zinc/30/08/08/1028300808.db2.gz NZABQTJBWYCTJY-IJGSQOGDSA-N -1 0 321.442 3.597 20 0 DHADRM CCC(C)(C)[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000579354532 1028389634 /nfs/dbraw/zinc/38/96/34/1028389634.db2.gz CLQPTWJAVQGCGQ-HNNXBMFYSA-N -1 0 318.442 3.789 20 0 DHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(F)c1[O-] ZINC000936004522 1028442938 /nfs/dbraw/zinc/44/29/38/1028442938.db2.gz KWATXPKELZZKSE-MRXNPFEDSA-N -1 0 317.360 3.763 20 0 DHADRM COc1cc(OC)cc(-c2ccc(CCC(=O)[O-])cc2C)c1 ZINC000579615999 1028449505 /nfs/dbraw/zinc/44/95/05/1028449505.db2.gz ZMVJSAPKDUPXGD-UHFFFAOYSA-N -1 0 300.354 3.696 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000565224401 1028560207 /nfs/dbraw/zinc/56/02/07/1028560207.db2.gz GQOSWOCITLTBNO-FZKQIMNGSA-N -1 0 303.402 3.535 20 0 DHADRM CCOc1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1OCC ZINC000565236567 1028562795 /nfs/dbraw/zinc/56/27/95/1028562795.db2.gz FBBNCXVNTRZSGM-UHFFFAOYSA-N -1 0 316.353 3.614 20 0 DHADRM COc1ccc(F)cc1-c1ccccc1CC1(C(=O)[O-])CC1 ZINC000565238558 1028564018 /nfs/dbraw/zinc/56/40/18/1028564018.db2.gz XCLXUHXMZMUJCH-UHFFFAOYSA-N -1 0 300.329 3.909 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccnc(F)c1F ZINC000189371388 1028571252 /nfs/dbraw/zinc/57/12/52/1028571252.db2.gz VRBIGHKWWYIVJX-UHFFFAOYSA-N -1 0 319.094 3.625 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000815815197 1028629551 /nfs/dbraw/zinc/62/95/51/1028629551.db2.gz OVIVZADTIXAWJG-UHFFFAOYSA-N -1 0 317.370 3.618 20 0 DHADRM Cc1oc(-c2ccsc2)nc1CN(C)[C@H](CC(C)C)C(=O)[O-] ZINC000566359906 1028706475 /nfs/dbraw/zinc/70/64/75/1028706475.db2.gz DFKZXBYMRPKKQP-CQSZACIVSA-N -1 0 322.430 3.643 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC=C(c2ccc(F)cc2)C1 ZINC000371666627 1028744568 /nfs/dbraw/zinc/74/45/68/1028744568.db2.gz VXNZGCALLFGNFI-UHFFFAOYSA-N -1 0 317.747 3.724 20 0 DHADRM CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCC(F)(F)CC1 ZINC000627711197 1028801139 /nfs/dbraw/zinc/80/11/39/1028801139.db2.gz ZWQAKJGNFYREDD-UHFFFAOYSA-N -1 0 305.271 3.825 20 0 DHADRM CCCc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001135505548 1028804150 /nfs/dbraw/zinc/80/41/50/1028804150.db2.gz MPAHYZVOHSPWNR-UHFFFAOYSA-N -1 0 321.380 3.783 20 0 DHADRM O=C([O-])c1ccccc1-c1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000567180362 1028851450 /nfs/dbraw/zinc/85/14/50/1028851450.db2.gz HEVPEEGRRMVPRM-INIZCTEOSA-N -1 0 312.365 4.000 20 0 DHADRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CCCc2ccccc21 ZINC000042245020 1028942058 /nfs/dbraw/zinc/94/20/58/1028942058.db2.gz JJFSCHAMGLVUKD-CYBMUJFWSA-N -1 0 321.423 3.513 20 0 DHADRM O=C(NOCCC(F)(F)F)C1(Cc2cccc(F)c2)CCC1 ZINC000779326299 1028980158 /nfs/dbraw/zinc/98/01/58/1028980158.db2.gz LLEFXUQYPDPYLS-UHFFFAOYSA-N -1 0 319.298 3.539 20 0 DHADRM O=C([O-])[C@@H]1C[C@]12CCc1cc(-c3ccc([N+](=O)[O-])cc3)ccc12 ZINC000568265128 1029034004 /nfs/dbraw/zinc/03/40/04/1029034004.db2.gz NQKKKNYTMQZTSU-WMZOPIPTSA-N -1 0 309.321 3.550 20 0 DHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](C)C1(F)F ZINC000628397550 1029036728 /nfs/dbraw/zinc/03/67/28/1029036728.db2.gz CAGKHRALHZUTOV-OCAPTIKFSA-N -1 0 321.726 3.548 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000568411014 1029063284 /nfs/dbraw/zinc/06/32/84/1029063284.db2.gz FDDXAFPFOUGWMX-MRXNPFEDSA-N -1 0 317.429 3.844 20 0 DHADRM O=C([O-])[C@H](c1ccsc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000568641954 1029104290 /nfs/dbraw/zinc/10/42/90/1029104290.db2.gz VEDFCEHBZISADH-BONVTDFDSA-N -1 0 323.364 3.642 20 0 DHADRM Cc1nc([C@H](C)NC(=O)C[C@@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000568795934 1029127415 /nfs/dbraw/zinc/12/74/15/1029127415.db2.gz FDWMMCMTUPOZIT-DLOVCJGASA-N -1 0 324.446 3.543 20 0 DHADRM CC[C@H](c1ccc(F)cc1F)[S@@](=O)[C@@H](CC(C)C)C(=O)[O-] ZINC000568956957 1029152861 /nfs/dbraw/zinc/15/28/61/1029152861.db2.gz MVBSXFDLWHTVTI-HKZYLEAXSA-N -1 0 318.385 3.664 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N(C1CC1)C1CC1 ZINC000628815146 1029155267 /nfs/dbraw/zinc/15/52/67/1029155267.db2.gz KQZHMCUWKHQCCG-UHFFFAOYSA-N -1 0 301.773 3.966 20 0 DHADRM O=C(COC(=O)c1cc2ccsc2[nH]1)c1cccc(Cl)c1 ZINC000817704578 1029230238 /nfs/dbraw/zinc/23/02/38/1029230238.db2.gz OBJFIQAZHVBWAN-UHFFFAOYSA-N -1 0 319.769 3.923 20 0 DHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCCCC(C)(C)C ZINC000569658807 1029242417 /nfs/dbraw/zinc/24/24/17/1029242417.db2.gz QFDHEPGCCUFOQN-AWEZNQCLSA-N -1 0 320.433 3.670 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(Cl)n1 ZINC000155530554 1029243666 /nfs/dbraw/zinc/24/36/66/1029243666.db2.gz LDVUAMBLHWUURL-UHFFFAOYSA-N -1 0 317.559 4.000 20 0 DHADRM C[C@@H]1C[C@@H]1N(Cc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000411929972 1029251219 /nfs/dbraw/zinc/25/12/19/1029251219.db2.gz YKDOZQIYSRJSBN-RISCZKNCSA-N -1 0 311.410 3.812 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000817872381 1029267254 /nfs/dbraw/zinc/26/72/54/1029267254.db2.gz AHXZVVVCNBWGAH-WOSRLPQWSA-N -1 0 303.402 3.525 20 0 DHADRM O=C([O-])[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(F)cc1F ZINC000569985682 1029294039 /nfs/dbraw/zinc/29/40/39/1029294039.db2.gz QHEYAQRTEHWVOG-QGZVFWFLSA-N -1 0 317.335 3.758 20 0 DHADRM COc1ccc(F)cc1[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000044012218 1029306006 /nfs/dbraw/zinc/30/60/06/1029306006.db2.gz PHZSWPAVSURWQZ-SVXRXWARSA-N -1 0 318.304 3.628 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1(C)C ZINC000760137749 1029308391 /nfs/dbraw/zinc/30/83/91/1029308391.db2.gz PTAYZEYAFOGRCR-SNVBAGLBSA-N -1 0 304.415 3.625 20 0 DHADRM Cc1ccc(NC(=S)Nc2ncc(F)cc2[O-])cc1Cl ZINC001245827056 1029323892 /nfs/dbraw/zinc/32/38/92/1029323892.db2.gz PJGJTBHFUFLBGR-UHFFFAOYSA-N -1 0 311.769 3.697 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(Cl)nc(Cl)c1 ZINC000818329290 1029366508 /nfs/dbraw/zinc/36/65/08/1029366508.db2.gz UCIPLGKXQGZTOT-NSHDSACASA-N -1 0 317.216 3.608 20 0 DHADRM C[C@]1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CCCOC1 ZINC000529538886 1029378735 /nfs/dbraw/zinc/37/87/35/1029378735.db2.gz MPMZKWALUKPAJY-KRWDZBQOSA-N -1 0 319.788 3.954 20 0 DHADRM [O-]c1ccc(Cl)c(F)c1CNCc1ccn(C2CCCC2)n1 ZINC000191367269 1029396990 /nfs/dbraw/zinc/39/69/90/1029396990.db2.gz 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O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871334361 1031200166 /nfs/dbraw/zinc/20/01/66/1031200166.db2.gz UVGXNJAPVFPLBX-AWEZNQCLSA-N -1 0 323.820 3.609 20 0 DHADRM O=C([O-])C1CCC(Nc2ncc(-c3ccccc3)s2)CC1 ZINC000263543379 1031203760 /nfs/dbraw/zinc/20/37/60/1031203760.db2.gz FGXFNFFCAXBBNT-UHFFFAOYSA-N -1 0 302.399 3.865 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCC3(CC3)CC2)c1 ZINC000615108737 1031223628 /nfs/dbraw/zinc/22/36/28/1031223628.db2.gz PFHALAZZPQCSHT-UHFFFAOYSA-N -1 0 301.386 3.894 20 0 DHADRM O=C(CCCC1CCCC1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000079899857 1031242772 /nfs/dbraw/zinc/24/27/72/1031242772.db2.gz JWXNIUATAMEZKO-UHFFFAOYSA-N -1 0 315.373 3.741 20 0 DHADRM O=C([N-]Cc1cc(F)cc(NCCCCCF)c1)C(F)(F)F ZINC000871849606 1031347386 /nfs/dbraw/zinc/34/73/86/1031347386.db2.gz JPDKGTYFHAWRPS-UHFFFAOYSA-N -1 0 324.293 3.556 20 0 DHADRM Cc1ccc(NCc2csc(C3CC3)n2)c(C)c1C(=O)[O-] ZINC000871884921 1031373074 /nfs/dbraw/zinc/37/30/74/1031373074.db2.gz MZZBOJCWEUOLLS-UHFFFAOYSA-N 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COC(=O)c1c(Nc2csc(C(=O)[O-])c2)sc2c1CCC2 ZINC001176435382 1035263288 /nfs/dbraw/zinc/26/32/88/1035263288.db2.gz CNXYWNIQMMISSW-UHFFFAOYSA-N -1 0 323.395 3.527 20 0 DHADRM O=C([O-])c1cc(Nc2cc(Cc3ccccc3)no2)cs1 ZINC001176435494 1035263310 /nfs/dbraw/zinc/26/33/10/1035263310.db2.gz GBNHRHKFKGCOEF-UHFFFAOYSA-N -1 0 300.339 3.769 20 0 DHADRM Cc1nc(Br)ccc1Nc1csc(C(=O)[O-])c1 ZINC001176437444 1035264037 /nfs/dbraw/zinc/26/40/37/1035264037.db2.gz VFTCNNWYWNFRQU-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM CCOC(=O)c1cccc(Nc2csc(C(=O)[O-])c2)c1C ZINC001176438917 1035264168 /nfs/dbraw/zinc/26/41/68/1035264168.db2.gz GAQGAKKUJGJSQB-UHFFFAOYSA-N -1 0 305.355 3.675 20 0 DHADRM CCOC(=O)CCc1cccc(Nc2csc(C(=O)[O-])c2)c1 ZINC001176439952 1035264624 /nfs/dbraw/zinc/26/46/24/1035264624.db2.gz BFXXOGRKWJKJGM-UHFFFAOYSA-N -1 0 319.382 3.686 20 0 DHADRM Cc1cc(=O)c2ccc(Nc3csc(C(=O)[O-])c3)cc2o1 ZINC001176441104 1035265012 /nfs/dbraw/zinc/26/50/12/1035265012.db2.gz QHVGYEMAMOLMSS-UHFFFAOYSA-N -1 0 301.323 3.605 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O=C([O-])/C=C/c1ccc(Nc2ccc3c(c2)[C@@H](O)CCC3)cc1 ZINC001176597898 1035307291 /nfs/dbraw/zinc/30/72/91/1035307291.db2.gz XXYKIBKEPBHDOC-QKIXSCASSA-N -1 0 309.365 3.898 20 0 DHADRM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000668323514 1035323353 /nfs/dbraw/zinc/32/33/53/1035323353.db2.gz ZZTHXHBAYCGNNF-HNNXBMFYSA-N -1 0 317.429 3.602 20 0 DHADRM O=C([O-])c1ccc(Nc2nc(Cl)c(Cl)nc2Cl)cc1 ZINC001176711398 1035325614 /nfs/dbraw/zinc/32/56/14/1035325614.db2.gz YKSLFUSMTZJCLL-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(-c2cccc(C)c2)n1 ZINC001176709701 1035325758 /nfs/dbraw/zinc/32/57/58/1035325758.db2.gz LTDAQBKJNOVYFD-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM Cc1cnn(-c2cccc(F)c2)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176711422 1035325847 /nfs/dbraw/zinc/32/58/47/1035325847.db2.gz ZMGZWVGXEUDJCF-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM CC(=O)Nc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001176712576 1035326650 /nfs/dbraw/zinc/32/66/50/1035326650.db2.gz 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CCSCc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904245930 1035387468 /nfs/dbraw/zinc/38/74/68/1035387468.db2.gz GZWIFFJPNYXIJZ-LSDHHAIUSA-N -1 0 320.458 3.930 20 0 DHADRM Cc1ccnc(CC(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001178269184 1035419994 /nfs/dbraw/zinc/41/99/94/1035419994.db2.gz SKLZBJHTQJBRIE-UHFFFAOYSA-N -1 0 311.168 3.584 20 0 DHADRM CCc1ccc(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])s1 ZINC001178428973 1035428748 /nfs/dbraw/zinc/42/87/48/1035428748.db2.gz YUAFDODDSSJLAR-UHFFFAOYSA-N -1 0 307.346 3.610 20 0 DHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1C1CCCCC1 ZINC000905003014 1035474676 /nfs/dbraw/zinc/47/46/76/1035474676.db2.gz NZJDBCXOUBUOEA-UHFFFAOYSA-N -1 0 309.431 3.632 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2CCCC23CC3)cc1C(=O)[O-] ZINC000905043995 1035476930 /nfs/dbraw/zinc/47/69/30/1035476930.db2.gz NHZFTPRKDXKLNU-GFCCVEGCSA-N -1 0 305.399 3.626 20 0 DHADRM C[C@@H]1C[C@H]1c1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905030888 1035477796 /nfs/dbraw/zinc/47/77/96/1035477796.db2.gz 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313.781 3.897 20 0 DHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000049527749 334345354 /nfs/dbraw/zinc/34/53/54/334345354.db2.gz CYPCWSJSMUKUJZ-SNVBAGLBSA-N -1 0 303.745 3.529 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)sc1C ZINC000262344683 334354624 /nfs/dbraw/zinc/35/46/24/334354624.db2.gz UQZSIAOJSRLVGU-UHFFFAOYSA-N -1 0 317.410 3.979 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ncccc2CC)cc1CC ZINC000535232136 334381280 /nfs/dbraw/zinc/38/12/80/334381280.db2.gz BHRNMFFJSSLDCY-UHFFFAOYSA-N -1 0 318.442 3.570 20 0 DHADRM CC(C)c1noc(=N[C@@H](C)c2ccc(Oc3cccnc3)cc2)[n-]1 ZINC000340779926 334385249 /nfs/dbraw/zinc/38/52/49/334385249.db2.gz PGITTWCUJOGNOG-ZDUSSCGKSA-N -1 0 324.384 3.975 20 0 DHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2cc(C)sc2C)cc1 ZINC000340805229 334386818 /nfs/dbraw/zinc/38/68/18/334386818.db2.gz WRSPCEWRROTMIA-UHFFFAOYSA-N -1 0 322.451 3.584 20 0 DHADRM Cc1c(Cl)cc(F)c(NC(=O)CC(C)(C)CC(=O)[O-])c1F ZINC000341257087 334425580 /nfs/dbraw/zinc/42/55/80/334425580.db2.gz 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Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000124978346 337408596 /nfs/dbraw/zinc/40/85/96/337408596.db2.gz HKRDBZFCONNCIX-UHFFFAOYSA-N -1 0 322.320 3.601 20 0 DHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236821193 337465735 /nfs/dbraw/zinc/46/57/35/337465735.db2.gz TXVNCUCVSOPFOA-MDZRGWNJSA-N -1 0 317.429 3.673 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000237606082 337468952 /nfs/dbraw/zinc/46/89/52/337468952.db2.gz GSATZOVTVYEMKZ-WWGRRREGSA-N -1 0 321.392 3.674 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccccc1Cl ZINC000237608943 337469076 /nfs/dbraw/zinc/46/90/76/337469076.db2.gz JNPAVTLEHIEAFM-OAHLLOKOSA-N -1 0 317.772 3.594 20 0 DHADRM O=C([O-])C1(NC(=O)c2ccc3ccccc3c2)CCCCCC1 ZINC000237982368 337469834 /nfs/dbraw/zinc/46/98/34/337469834.db2.gz DPVGNAZMMWZEPO-UHFFFAOYSA-N -1 0 311.381 3.747 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC(=Cc3ccccc3)CC2)cc1 ZINC000237983995 337469877 /nfs/dbraw/zinc/46/98/77/337469877.db2.gz 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CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC000262807120 337621473 /nfs/dbraw/zinc/62/14/73/337621473.db2.gz SYXFOLPMGRLGMT-CQSZACIVSA-N -1 0 324.380 3.570 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1csc2ccccc12 ZINC000262913950 337622386 /nfs/dbraw/zinc/62/23/86/337622386.db2.gz IYAAZDBBZHLMHN-MRXNPFEDSA-N -1 0 305.399 3.521 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000262950986 337622600 /nfs/dbraw/zinc/62/26/00/337622600.db2.gz ITLQQUVREWDCDZ-IRXDYDNUSA-N -1 0 315.413 3.560 20 0 DHADRM C[C@H](CCC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263037872 337623413 /nfs/dbraw/zinc/62/34/13/337623413.db2.gz DKERYYYXAFBSPW-KDOFPFPSSA-N -1 0 311.381 3.512 20 0 DHADRM CCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263056100 337623728 /nfs/dbraw/zinc/62/37/28/337623728.db2.gz OFAHCAWZQSRRRJ-SUMWQHHRSA-N -1 0 313.397 3.908 20 0 DHADRM CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc(C)cc1 ZINC000263086054 337624245 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CCCc1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000263320618 337626460 /nfs/dbraw/zinc/62/64/60/337626460.db2.gz NLLIXLKNVKKUIX-JTQLQIEISA-N -1 0 318.398 3.536 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2CCC3)c1 ZINC000263362747 337626950 /nfs/dbraw/zinc/62/69/50/337626950.db2.gz YVXFOLQVCDWFTJ-LBPRGKRZSA-N -1 0 309.365 3.616 20 0 DHADRM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccccc1 ZINC000263372031 337626970 /nfs/dbraw/zinc/62/69/70/337626970.db2.gz YQETTYWUBHFFEQ-YVNUBYTISA-N -1 0 323.392 3.512 20 0 DHADRM CCc1c(C)sc(NC(=O)CCc2cccs2)c1C(=O)[O-] ZINC000263431304 337628964 /nfs/dbraw/zinc/62/89/64/337628964.db2.gz KTTBMTQPQXWNBS-UHFFFAOYSA-N -1 0 323.439 3.950 20 0 DHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@H]1CC=CCC1 ZINC000263443271 337629319 /nfs/dbraw/zinc/62/93/19/337629319.db2.gz XSRVHWWSJNZYRZ-JKSUJKDBSA-N -1 0 307.434 3.663 20 0 DHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCC12CCC2 ZINC000263445819 337629361 /nfs/dbraw/zinc/62/93/61/337629361.db2.gz QWJUPYVQMQZFAU-UHFFFAOYSA-N -1 0 321.376 3.820 20 0 DHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C(C)C ZINC000263535388 337631337 /nfs/dbraw/zinc/63/13/37/337631337.db2.gz OJEHHHHGPMEFCZ-HOCLYGCPSA-N -1 0 305.418 3.699 20 0 DHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000263543638 337631517 /nfs/dbraw/zinc/63/15/17/337631517.db2.gz FKOAKNQYQHQYLI-CZUORRHYSA-N -1 0 303.402 3.584 20 0 DHADRM CCc1ccc2occ(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c2c1 ZINC000263544019 337631525 /nfs/dbraw/zinc/63/15/25/337631525.db2.gz SFNKKWFMOVIHSO-GOSISDBHSA-N -1 0 317.385 3.614 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000191135182 337671939 /nfs/dbraw/zinc/67/19/39/337671939.db2.gz SXMMLXVCLGPZHA-UHFFFAOYSA-N -1 0 316.382 3.533 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000191350359 337677808 /nfs/dbraw/zinc/67/78/08/337677808.db2.gz PCGDAAJJHHQJIM-UHFFFAOYSA-N -1 0 318.379 3.551 20 0 DHADRM O=C([O-])c1cccc(NCc2cc(Br)cs2)c1 ZINC000036890956 337792481 /nfs/dbraw/zinc/79/24/81/337792481.db2.gz GLIGPZZYUVZGAO-UHFFFAOYSA-N -1 0 312.188 3.821 20 0 DHADRM Cc1ccc(C2CC2)c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000424227824 337811414 /nfs/dbraw/zinc/81/14/14/337811414.db2.gz RLHQGNBXSVFPLE-UHFFFAOYSA-N -1 0 309.365 3.752 20 0 DHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000045397865 337823643 /nfs/dbraw/zinc/82/36/43/337823643.db2.gz WLYMBXPPTCFHHJ-UHFFFAOYSA-N -1 0 319.788 3.717 20 0 DHADRM CC(C)[C@@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533188789 337833854 /nfs/dbraw/zinc/83/38/54/337833854.db2.gz RSFHUMGAPWNZTP-NVXWUHKLSA-N -1 0 317.429 3.530 20 0 DHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c([O-])cccc1F ZINC000119162947 337854693 /nfs/dbraw/zinc/85/46/93/337854693.db2.gz ODTQETXNYRMZQZ-UHFFFAOYSA-N -1 0 322.339 3.769 20 0 DHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000120636312 337876880 /nfs/dbraw/zinc/87/68/80/337876880.db2.gz INUWOBURBAXIRO-UHFFFAOYSA-N -1 0 311.428 3.681 20 0 DHADRM CC[C@@H](C)n1ncc(N=c2nc(C3CC3)[n-]s2)c1C1CC1 ZINC000537826660 337962806 /nfs/dbraw/zinc/96/28/06/337962806.db2.gz MWELQXSQAZFZHY-SECBINFHSA-N -1 0 303.435 3.626 20 0 DHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)C1CCCCC1 ZINC000314838266 337969929 /nfs/dbraw/zinc/96/99/29/337969929.db2.gz HKEDBNZUNQECJC-AWEZNQCLSA-N -1 0 309.450 3.887 20 0 DHADRM CCC(CC)(CC(=O)NCC[C@H](C)c1ccccc1)C(=O)[O-] ZINC000315090798 337981199 /nfs/dbraw/zinc/98/11/99/337981199.db2.gz VHPQBWIEWTWIPE-AWEZNQCLSA-N -1 0 305.418 3.578 20 0 DHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000426120164 338020793 /nfs/dbraw/zinc/02/07/93/338020793.db2.gz OAUOOHRAFPKHTL-RYUDHWBXSA-N -1 0 324.494 3.690 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000426120165 338020796 /nfs/dbraw/zinc/02/07/96/338020796.db2.gz OAUOOHRAFPKHTL-VXGBXAGGSA-N -1 0 324.494 3.690 20 0 DHADRM Cc1[nH]c2c(cc(C)cc2CN=c2nc(C3CC3)[n-]s2)c1C ZINC000426515415 338033942 /nfs/dbraw/zinc/03/39/42/338033942.db2.gz IKTQJRORVUZBBL-UHFFFAOYSA-N -1 0 312.442 3.856 20 0 DHADRM COCc1nc(=N[C@@H](c2ccc(Cl)cc2)C(C)C)s[n-]1 ZINC000426600110 338035583 /nfs/dbraw/zinc/03/55/83/338035583.db2.gz DFAYUMUSTYWHFC-CYBMUJFWSA-N -1 0 311.838 3.569 20 0 DHADRM O=C([O-])c1coc(CNCc2ccccc2OC2CCCC2)c1 ZINC000426690107 338038175 /nfs/dbraw/zinc/03/81/75/338038175.db2.gz ZFFZRAFFDUBSGC-UHFFFAOYSA-N -1 0 315.369 3.589 20 0 DHADRM O=C([O-])c1cccc(CNCc2csc(-c3ccccc3)n2)c1 ZINC000426698102 338038472 /nfs/dbraw/zinc/03/84/72/338038472.db2.gz XMANCJMKBRMLNM-UHFFFAOYSA-N -1 0 324.405 3.798 20 0 DHADRM CCCc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426733810 338039797 /nfs/dbraw/zinc/03/97/97/338039797.db2.gz NZVUJCDTELIKKI-QGZVFWFLSA-N -1 0 319.351 3.833 20 0 DHADRM Cc1cccc([C@@H](NCc2ccsc2Cl)C(=O)[O-])c1C ZINC000426735137 338039876 /nfs/dbraw/zinc/03/98/76/338039876.db2.gz RYGDHKPIVSMUOW-CYBMUJFWSA-N -1 0 309.818 3.934 20 0 DHADRM Cc1cccc([C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C(=O)[O-])c1C ZINC000426740020 338040108 /nfs/dbraw/zinc/04/01/08/338040108.db2.gz FVWWOQGFOGLXGX-INIZCTEOSA-N -1 0 323.314 3.636 20 0 DHADRM C[C@@H]1CCc2nc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])sc2C1 ZINC000426747192 338040457 /nfs/dbraw/zinc/04/04/57/338040457.db2.gz NMRGTIXCPOOTQL-YPMHNXCESA-N -1 0 324.490 3.637 20 0 DHADRM O=C([O-])[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000426763539 338041301 /nfs/dbraw/zinc/04/13/01/338041301.db2.gz CFPWIHGHVPOQOZ-AWEZNQCLSA-N -1 0 311.715 3.534 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)s1 ZINC000431149516 338124194 /nfs/dbraw/zinc/12/41/94/338124194.db2.gz LCHKCHRNRGUURS-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CCSc1nnc(NC(=O)c2cc(F)ccc2Cl)s1 ZINC000431388238 338129721 /nfs/dbraw/zinc/12/97/21/338129721.db2.gz UMIFQXVKGCINMI-UHFFFAOYSA-N -1 0 317.798 3.695 20 0 DHADRM CC[C@@](C)(NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000431438849 338130855 /nfs/dbraw/zinc/13/08/55/338130855.db2.gz OWEIZGAVJJOBOI-HPFMTEOYSA-N -1 0 303.402 3.583 20 0 DHADRM CC(C)(C)C1CCC(CC(=O)NC2(CC(=O)[O-])CCC2)CC1 ZINC000431452562 338130999 /nfs/dbraw/zinc/13/09/99/338130999.db2.gz OKEPZOZHZBOVTF-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000431656329 338135726 /nfs/dbraw/zinc/13/57/26/338135726.db2.gz XNFUQUJAYKAXNA-CHWSQXEVSA-N -1 0 319.401 3.551 20 0 DHADRM CCOCCC1(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)CCC1 ZINC000431667786 338135977 /nfs/dbraw/zinc/13/59/77/338135977.db2.gz QSNWBDCPPJTKSC-UHFFFAOYSA-N -1 0 319.401 3.537 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000431791694 338139034 /nfs/dbraw/zinc/13/90/34/338139034.db2.gz QLJNWCDGFBCGSZ-UHFFFAOYSA-N -1 0 321.332 3.826 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1 ZINC000431990797 338143320 /nfs/dbraw/zinc/14/33/20/338143320.db2.gz HKDOJVJCXHQFBC-UHFFFAOYSA-N -1 0 321.332 3.826 20 0 DHADRM CCCC[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000432000519 338143428 /nfs/dbraw/zinc/14/34/28/338143428.db2.gz NFVVXIXJRUOYTO-INIZCTEOSA-N -1 0 324.380 3.694 20 0 DHADRM O=C([O-])C1(NC(=O)CC/C=C/c2ccccc2)CCCCCC1 ZINC000432004458 338143463 /nfs/dbraw/zinc/14/34/63/338143463.db2.gz AEQKWGARTAWDST-WUXMJOGZSA-N -1 0 315.413 3.774 20 0 DHADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000432107336 338145787 /nfs/dbraw/zinc/14/57/87/338145787.db2.gz BFENGUPXXYUADS-RBSFLKMASA-N -1 0 315.413 3.808 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432121409 338146099 /nfs/dbraw/zinc/14/60/99/338146099.db2.gz WDATZHSMGXURSH-DDUZABMNSA-N -1 0 309.450 3.743 20 0 DHADRM CCc1nc(=NCC[C@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432179214 338148115 /nfs/dbraw/zinc/14/81/15/338148115.db2.gz WPUJPDIDXZRGBX-LLVKDONJSA-N -1 0 315.364 3.671 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)s1 ZINC000432642232 338161646 /nfs/dbraw/zinc/16/16/46/338161646.db2.gz LFFZOOSWGBXNBY-UHFFFAOYSA-N -1 0 306.412 3.593 20 0 DHADRM CC(C)n1nccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159275348 338522495 /nfs/dbraw/zinc/52/24/95/338522495.db2.gz UCJJMPHQEXYAQP-UHFFFAOYSA-N -1 0 314.172 3.729 20 0 DHADRM Clc1ccc([C@H](SCc2nnn[n-]2)c2ccccc2)cc1 ZINC000435175967 338233775 /nfs/dbraw/zinc/23/37/75/338233775.db2.gz FVWBWPFGHCQSDS-OAHLLOKOSA-N -1 0 316.817 3.876 20 0 DHADRM CCC(CC)(CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000435714821 338246051 /nfs/dbraw/zinc/24/60/51/338246051.db2.gz MCSMGAKVDJPJMA-UONOGXRCSA-N -1 0 323.820 3.593 20 0 DHADRM CCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1 ZINC000435717584 338246194 /nfs/dbraw/zinc/24/61/94/338246194.db2.gz OYSRTVDGJVHGSK-JYJNAYRXSA-N -1 0 309.450 3.743 20 0 DHADRM C=Cc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1 ZINC000436479704 338273746 /nfs/dbraw/zinc/27/37/46/338273746.db2.gz SHLBGPKVCLPOGF-UHFFFAOYSA-N -1 0 305.424 3.852 20 0 DHADRM CSc1ccc([C@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436486604 338273819 /nfs/dbraw/zinc/27/38/19/338273819.db2.gz IZMZQJMXIJHNLB-VIFPVBQESA-N -1 0 323.364 3.883 20 0 DHADRM CCSCCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436504352 338274471 /nfs/dbraw/zinc/27/44/71/338274471.db2.gz PBCOXSFYFHSORB-UHFFFAOYSA-N -1 0 308.230 3.572 20 0 DHADRM CN(Cc1ccc(Cl)s1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436536267 338276008 /nfs/dbraw/zinc/27/60/08/338276008.db2.gz POPSLHGUJYAVPF-UHFFFAOYSA-N -1 0 317.744 3.658 20 0 DHADRM O=C(Nc1nc(-c2ccccc2F)co1)c1c([O-])cccc1F ZINC000436564998 338277350 /nfs/dbraw/zinc/27/73/50/338277350.db2.gz QLJXNWJDMBGIFI-UHFFFAOYSA-N -1 0 316.263 3.578 20 0 DHADRM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(Cl)cc1O ZINC000436568583 338277380 /nfs/dbraw/zinc/27/73/80/338277380.db2.gz YLPIMHPALHWJJF-VIFPVBQESA-N -1 0 323.751 3.684 20 0 DHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(Cl)cc1O ZINC000436568581 338277453 /nfs/dbraw/zinc/27/74/53/338277453.db2.gz YLPIMHPALHWJJF-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000436583895 338278350 /nfs/dbraw/zinc/27/83/50/338278350.db2.gz KZUNTJRHCGWENU-UHFFFAOYSA-N -1 0 313.250 3.888 20 0 DHADRM Cc1ccccc1C(C)(C)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436595327 338279074 /nfs/dbraw/zinc/27/90/74/338279074.db2.gz IGSXZZASWMKOIK-UHFFFAOYSA-N -1 0 305.324 3.644 20 0 DHADRM O=C(Nc1ccc2scnc2c1)c1cc(Cl)ccc1[O-] ZINC000436635841 338280763 /nfs/dbraw/zinc/28/07/63/338280763.db2.gz OTFVNNIKVYZHJM-UHFFFAOYSA-N -1 0 304.758 3.908 20 0 DHADRM COc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000436635207 338280845 /nfs/dbraw/zinc/28/08/45/338280845.db2.gz KSWXDBJNLIHYSB-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM Cc1cc(N(C)C)ccc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436639754 338280918 /nfs/dbraw/zinc/28/09/18/338280918.db2.gz RBNOMXCSYNXWLO-UHFFFAOYSA-N -1 0 322.767 3.811 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cc(C)ccc2C)c1 ZINC000436649943 338281410 /nfs/dbraw/zinc/28/14/10/338281410.db2.gz YCYGTTFNDXGPOC-UHFFFAOYSA-N -1 0 311.381 3.783 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC(c2ccccc2F)C1 ZINC000436655101 338281636 /nfs/dbraw/zinc/28/16/36/338281636.db2.gz HXWROIMUVDPQKE-UHFFFAOYSA-N -1 0 323.726 3.563 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2)c1 ZINC000436654031 338281699 /nfs/dbraw/zinc/28/16/99/338281699.db2.gz WHVUWGGSZGEAPC-UHFFFAOYSA-N -1 0 303.745 3.891 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)=O)s2)c1 ZINC000436651955 338281731 /nfs/dbraw/zinc/28/17/31/338281731.db2.gz JDURJDSKELLGSS-UHFFFAOYSA-N -1 0 317.366 3.501 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc(C(C)C)s2)c1 ZINC000436651831 338281735 /nfs/dbraw/zinc/28/17/35/338281735.db2.gz YDUXNFVKDXVRRO-UHFFFAOYSA-N -1 0 318.398 3.817 20 0 DHADRM Cc1ccc2c(c1)CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C2 ZINC000436668788 338282229 /nfs/dbraw/zinc/28/22/29/338282229.db2.gz XTMDMLMCNASNEN-UHFFFAOYSA-N -1 0 319.763 3.692 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000436677166 338282470 /nfs/dbraw/zinc/28/24/70/338282470.db2.gz BGSSCPGGHDWMQQ-UHFFFAOYSA-N -1 0 322.320 3.502 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C)cc2Cl)c1 ZINC000436677475 338282509 /nfs/dbraw/zinc/28/25/09/338282509.db2.gz CREQRFSTEHLZDO-UHFFFAOYSA-N -1 0 317.772 3.738 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000436680277 338282534 /nfs/dbraw/zinc/28/25/34/338282534.db2.gz NBQMXFSBBWDBAV-UHFFFAOYSA-N -1 0 321.332 3.706 20 0 DHADRM O=C(NCC1(C(F)(F)F)CCC1)c1ccc([O-])c(Cl)c1 ZINC000436684873 338282730 /nfs/dbraw/zinc/28/27/30/338282730.db2.gz IESFCFLQSGNKTR-UHFFFAOYSA-N -1 0 307.699 3.508 20 0 DHADRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000436696123 338283103 /nfs/dbraw/zinc/28/31/03/338283103.db2.gz GLHOCSYAITXUCV-CYBMUJFWSA-N -1 0 317.772 3.802 20 0 DHADRM Cc1ccc(Cl)cc1N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436703178 338283304 /nfs/dbraw/zinc/28/33/04/338283304.db2.gz GFVWMEJTMXCPDX-UHFFFAOYSA-N -1 0 311.715 3.909 20 0 DHADRM CCOCc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436711091 338283754 /nfs/dbraw/zinc/28/37/54/338283754.db2.gz CVHUTLURYWOKON-UHFFFAOYSA-N -1 0 305.761 3.834 20 0 DHADRM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1c([O-])cccc1F ZINC000436742078 338285067 /nfs/dbraw/zinc/28/50/67/338285067.db2.gz DTNPCHYVRRUDQC-UHFFFAOYSA-N -1 0 313.328 3.766 20 0 DHADRM O=C(NCCc1cccs1)c1c([O-])cc(Cl)cc1Cl ZINC000436754839 338285664 /nfs/dbraw/zinc/28/56/64/338285664.db2.gz JZSJCTSHIKQPQD-UHFFFAOYSA-N -1 0 316.209 3.733 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c(C)oc3ccccc32)c1 ZINC000436798218 338287776 /nfs/dbraw/zinc/28/77/76/338287776.db2.gz RJSAUOXMNPTAGM-UHFFFAOYSA-N -1 0 309.321 3.902 20 0 DHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3[O-])C2)cc1 ZINC000436828596 338288817 /nfs/dbraw/zinc/28/88/17/338288817.db2.gz QQXLWIUMMNXNFL-HIFRSBDPSA-N -1 0 313.372 3.858 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccnc2C2CC2)c1 ZINC000436833888 338289218 /nfs/dbraw/zinc/28/92/18/338289218.db2.gz NJUPRKJKLARQJK-UHFFFAOYSA-N -1 0 310.353 3.510 20 0 DHADRM CC(=O)c1ccc(NC(=O)c2ccc(F)cc2[O-])cc1Cl ZINC000436841404 338289511 /nfs/dbraw/zinc/28/95/11/338289511.db2.gz AMCNBMHQUDZTQU-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000436861224 338290358 /nfs/dbraw/zinc/29/03/58/338290358.db2.gz JPZFZOKLPKJVGD-UHFFFAOYSA-N -1 0 322.364 3.945 20 0 DHADRM Oc1ccc(-c2noc(-c3cc(O)ccc3C(F)(F)F)n2)cc1 ZINC000436867133 338290601 /nfs/dbraw/zinc/29/06/01/338290601.db2.gz ACCUYPDGTOCMDM-UHFFFAOYSA-N -1 0 322.242 3.834 20 0 DHADRM CCCOc1cccnc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436871685 338290874 /nfs/dbraw/zinc/29/08/74/338290874.db2.gz RRJOHLPNHKKZGT-UHFFFAOYSA-N -1 0 324.739 3.621 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000436876657 338291356 /nfs/dbraw/zinc/29/13/56/338291356.db2.gz JRZQHIRTVTUFJJ-UHFFFAOYSA-N -1 0 315.344 3.650 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C/C=C/c2ccc(C)cc2)c1 ZINC000436878811 338291482 /nfs/dbraw/zinc/29/14/82/338291482.db2.gz UWMKHRAFAYGYMW-ONEGZZNKSA-N -1 0 309.365 3.945 20 0 DHADRM CC(=O)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1C ZINC000436881044 338291648 /nfs/dbraw/zinc/29/16/48/338291648.db2.gz VCNIGKXTKPMCEG-UHFFFAOYSA-N -1 0 312.300 3.759 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nc1 ZINC000436885699 338291743 /nfs/dbraw/zinc/29/17/43/338291743.db2.gz ITDRMYYCXDDNMP-UHFFFAOYSA-N -1 0 308.740 3.955 20 0 DHADRM COc1cccc([C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436890417 338292173 /nfs/dbraw/zinc/29/21/73/338292173.db2.gz CINHUTCXENDSGN-VIFPVBQESA-N -1 0 323.751 3.684 20 0 DHADRM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436917586 338293306 /nfs/dbraw/zinc/29/33/06/338293306.db2.gz BRJKOESTFOGGBQ-JBLDHEPKSA-N -1 0 311.784 3.883 20 0 DHADRM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436917587 338293309 /nfs/dbraw/zinc/29/33/09/338293309.db2.gz BRJKOESTFOGGBQ-JFGNBEQYSA-N -1 0 311.784 3.883 20 0 DHADRM CCN(CC1CCC1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436921833 338293512 /nfs/dbraw/zinc/29/35/12/338293512.db2.gz VKLAWAKPQWNHMR-UHFFFAOYSA-N -1 0 302.201 3.961 20 0 DHADRM COc1ccc2nc(/C=C\c3ccc(O)cc3)cc(C(=O)[O-])c2c1 ZINC000436924534 338293691 /nfs/dbraw/zinc/29/36/91/338293691.db2.gz GKEUVMDHVJUOGB-DJWKRKHSSA-N -1 0 321.332 3.818 20 0 DHADRM O=C(NCc1coc2ccccc12)c1ccc([O-])c(Cl)c1 ZINC000436941370 338294898 /nfs/dbraw/zinc/29/48/98/338294898.db2.gz PNJIGLJOANMUOE-UHFFFAOYSA-N -1 0 301.729 3.722 20 0 DHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1c([O-])cccc1F ZINC000436944070 338295222 /nfs/dbraw/zinc/29/52/22/338295222.db2.gz LMQPBQJQBPCCFJ-UHFFFAOYSA-N -1 0 305.324 3.721 20 0 DHADRM C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(F)(F)F ZINC000436956093 338295883 /nfs/dbraw/zinc/29/58/83/338295883.db2.gz LFLLWIMDPMBLJD-YFKPBYRVSA-N -1 0 316.106 3.627 20 0 DHADRM CC(C)CSCCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436978935 338296469 /nfs/dbraw/zinc/29/64/69/338296469.db2.gz JJAJYSPFVWNTHA-UHFFFAOYSA-N -1 0 319.829 3.694 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC12CCC2 ZINC000436990172 338296911 /nfs/dbraw/zinc/29/69/11/338296911.db2.gz PFILKKWUFTUPBR-SNVBAGLBSA-N -1 0 311.784 3.837 20 0 DHADRM CN(C(=O)c1cc(Cl)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000437003186 338297397 /nfs/dbraw/zinc/29/73/97/338297397.db2.gz ZIBUNNUEDXLTNR-UHFFFAOYSA-N -1 0 300.745 3.804 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C)c1 ZINC000437298447 338306547 /nfs/dbraw/zinc/30/65/47/338306547.db2.gz JCSRKSCPMNXHQY-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000437311399 338306853 /nfs/dbraw/zinc/30/68/53/338306853.db2.gz ZMBKZMIBUFCPMZ-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC000437664118 338317634 /nfs/dbraw/zinc/31/76/34/338317634.db2.gz CHFDAVYEQIZBLV-UHFFFAOYSA-N -1 0 315.778 3.521 20 0 DHADRM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccco1 ZINC000437675357 338318064 /nfs/dbraw/zinc/31/80/64/338318064.db2.gz OTHHBJXOUVBFOK-UHFFFAOYSA-N -1 0 323.414 3.786 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)C(C)(C)C(C)C)s[n-]1 ZINC000438968512 338357302 /nfs/dbraw/zinc/35/73/02/338357302.db2.gz YFJXZYDDUVEZKX-UHFFFAOYSA-N -1 0 309.460 3.618 20 0 DHADRM FC(F)(F)CCCN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000439692577 338376023 /nfs/dbraw/zinc/37/60/23/338376023.db2.gz DMPMCZLITHZPNX-UHFFFAOYSA-N -1 0 305.687 3.566 20 0 DHADRM CCSc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000439919073 338380844 /nfs/dbraw/zinc/38/08/44/338380844.db2.gz CZIKPYKRMWUZBZ-PBHICJAKSA-N -1 0 321.442 3.562 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000439929143 338381072 /nfs/dbraw/zinc/38/10/72/338381072.db2.gz HUDFYZUTSUQQCB-UHFFFAOYSA-N -1 0 303.383 3.751 20 0 DHADRM CCc1c(C)sc(NC(=O)C2CC3(CCC3)C2)c1C(=O)[O-] ZINC000572486304 338383219 /nfs/dbraw/zinc/38/32/19/338383219.db2.gz UGIUWWKBTAGFSF-UHFFFAOYSA-N -1 0 307.415 3.836 20 0 DHADRM CCc1nc(=N[C@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000441812040 338419206 /nfs/dbraw/zinc/41/92/06/338419206.db2.gz DKNIGJIZLIQXEK-MRVPVSSYSA-N -1 0 317.336 3.594 20 0 DHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cccs1 ZINC000447262717 338547935 /nfs/dbraw/zinc/54/79/35/338547935.db2.gz GEDBURHYROGVIO-UHFFFAOYSA-N -1 0 323.370 3.948 20 0 DHADRM CCCC[C@@H](CC)C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448987642 338581879 /nfs/dbraw/zinc/58/18/79/338581879.db2.gz BWSPGFCLIJGCPM-ACJLOTCBSA-N -1 0 323.408 3.501 20 0 DHADRM CO[C@H](C)c1nc(=N[C@H](C)c2cccc(C3CC3)c2)s[n-]1 ZINC000450553432 338690569 /nfs/dbraw/zinc/69/05/69/338690569.db2.gz IWKRYWPTXLFIDY-GHMZBOCLSA-N -1 0 303.431 3.718 20 0 DHADRM CO[C@H](C)c1nc(=NC2(Cc3cccc(Cl)c3)CC2)s[n-]1 ZINC000450873112 338709858 /nfs/dbraw/zinc/70/98/58/338709858.db2.gz JNAUNHRTCOIWEF-SNVBAGLBSA-N -1 0 323.849 3.508 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)s1 ZINC000451093023 338720967 /nfs/dbraw/zinc/72/09/67/338720967.db2.gz VIIQJNVLVJAXMX-UHFFFAOYSA-N -1 0 311.428 3.645 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000451883903 338747380 /nfs/dbraw/zinc/74/73/80/338747380.db2.gz FTFRMMVFEXFCLF-UHFFFAOYSA-N -1 0 315.291 3.656 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000194761463 338747466 /nfs/dbraw/zinc/74/74/66/338747466.db2.gz YKWGLCZSPSALBT-MRXNPFEDSA-N -1 0 303.402 3.679 20 0 DHADRM C[C@]12CN(C(=O)c3ccc([O-])c(Cl)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456978462 338947441 /nfs/dbraw/zinc/94/74/41/338947441.db2.gz JFFWGPTUNPLEPN-HWAANXBSSA-N -1 0 305.805 3.554 20 0 DHADRM CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458031599 338986519 /nfs/dbraw/zinc/98/65/19/338986519.db2.gz RZKHRZUOTTVNMQ-GDBMZVCRSA-N -1 0 313.372 3.940 20 0 DHADRM CCc1ccc(C(C)(C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459379990 339025927 /nfs/dbraw/zinc/02/59/27/339025927.db2.gz AKGJDHDHGSOVHE-UHFFFAOYSA-N -1 0 311.429 3.647 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC000165027077 339052737 /nfs/dbraw/zinc/05/27/37/339052737.db2.gz PQWSDEQUFOJVPH-UHFFFAOYSA-N -1 0 305.399 3.522 20 0 DHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000461210299 339060345 /nfs/dbraw/zinc/06/03/45/339060345.db2.gz ZUAKNLPMTAKIAD-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCCc1nc(=NCc2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000461936190 339069169 /nfs/dbraw/zinc/06/91/69/339069169.db2.gz MJNZPAWFXWBTHM-UHFFFAOYSA-N -1 0 310.426 3.587 20 0 DHADRM CCCc1nc(=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)s[n-]1 ZINC000461941203 339069311 /nfs/dbraw/zinc/06/93/11/339069311.db2.gz JXZXNTATXHRCOE-ZJUUUORDSA-N -1 0 307.385 3.693 20 0 DHADRM CCCc1nc(=NCc2ccccc2N2CCCCC2)s[n-]1 ZINC000461959362 339069822 /nfs/dbraw/zinc/06/98/22/339069822.db2.gz OWJFGNNQTBPOAA-UHFFFAOYSA-N -1 0 316.474 3.515 20 0 DHADRM COC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000462595504 339082037 /nfs/dbraw/zinc/08/20/37/339082037.db2.gz VAZZDAFXIKNDCR-YUMQZZPRSA-N -1 0 306.189 3.556 20 0 DHADRM c1ccc(C[C@@H]2C[C@H]2N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462883210 339096206 /nfs/dbraw/zinc/09/62/06/339096206.db2.gz KJXVYHFMWWINDM-HZPDHXFCSA-N -1 0 307.422 3.670 20 0 DHADRM C[C@@H](CC(F)(F)F)N=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000463746724 339125441 /nfs/dbraw/zinc/12/54/41/339125441.db2.gz OQOIJXDYIGNSEU-ZETCQYMHSA-N -1 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324.361 3.782 20 0 DHADRM O=S(=O)([N-]c1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000084919995 341363694 /nfs/dbraw/zinc/36/36/94/341363694.db2.gz IFJFIQCSSFDUIR-UHFFFAOYSA-N -1 0 309.293 3.512 20 0 DHADRM CSCCc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553041713 341413916 /nfs/dbraw/zinc/41/39/16/341413916.db2.gz GESSDRVDAIZCSH-UHFFFAOYSA-N -1 0 319.377 3.628 20 0 DHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)c([O-])cc2F)C1 ZINC000553693013 341434244 /nfs/dbraw/zinc/43/42/44/341434244.db2.gz NXNSIEXHMUEJNP-UWVGGRQHSA-N -1 0 315.772 3.719 20 0 DHADRM O=C(Cc1cc(F)ccc1F)Nc1cc(Cl)c([O-])cc1F ZINC000554024668 341440904 /nfs/dbraw/zinc/44/09/04/341440904.db2.gz FHVMKAJIAAVEMA-UHFFFAOYSA-N -1 0 315.678 3.644 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)cn1 ZINC000556305394 341501117 /nfs/dbraw/zinc/50/11/17/341501117.db2.gz QJNFQNGSSRTMPX-UHFFFAOYSA-N -1 0 324.833 3.968 20 0 DHADRM CCC(CC)[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000261854758 341507928 /nfs/dbraw/zinc/50/79/28/341507928.db2.gz FCNUZJHDNJILST-SFHVURJKSA-N -1 0 305.418 3.925 20 0 DHADRM Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)ccc1C(=O)[O-] ZINC000565235621 341520886 /nfs/dbraw/zinc/52/08/86/341520886.db2.gz HFQVOECAXRWXSO-QGZVFWFLSA-N -1 0 312.365 3.666 20 0 DHADRM CSc1cc(C)c(-c2nc(C(=O)[O-])c(C3CC3)s2)cn1 ZINC000565238453 341520984 /nfs/dbraw/zinc/52/09/84/341520984.db2.gz OIDGMVMDVZXFKL-UHFFFAOYSA-N -1 0 306.412 3.811 20 0 DHADRM CCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000565667345 341534419 /nfs/dbraw/zinc/53/44/19/341534419.db2.gz SOUQTRORUDBHRH-CHWSQXEVSA-N -1 0 317.385 3.843 20 0 DHADRM O=C([O-])[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1cccs1 ZINC000566718922 341566261 /nfs/dbraw/zinc/56/62/61/341566261.db2.gz JTVSOJAQAWAYOQ-OAHLLOKOSA-N -1 0 315.394 3.571 20 0 DHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000567063688 341577540 /nfs/dbraw/zinc/57/75/40/341577540.db2.gz MGRAURDXDAKNDP-UHFFFAOYSA-N -1 0 311.381 3.780 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)s1 ZINC000567255696 341591565 /nfs/dbraw/zinc/59/15/65/341591565.db2.gz KQQGINXLKFAYFP-UHFFFAOYSA-N -1 0 324.452 3.721 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000567461076 341607984 /nfs/dbraw/zinc/60/79/84/341607984.db2.gz HZPGUIGDPBATSI-DJIMGWMZSA-N -1 0 315.413 3.859 20 0 DHADRM Cc1csc([C@@H](C)N=c2nc(C3CCCCC3)[n-]s2)n1 ZINC000567602874 341619516 /nfs/dbraw/zinc/61/95/16/341619516.db2.gz VVFWJYKNPCVUMB-SNVBAGLBSA-N -1 0 308.476 3.946 20 0 DHADRM O=C([O-])c1c(-c2cccc(OC3CCCC3)c2)nc2n1CCC2 ZINC000567628100 341621219 /nfs/dbraw/zinc/62/12/19/341621219.db2.gz JSUNCOKORIPADH-UHFFFAOYSA-N -1 0 312.369 3.516 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2sc(C)cc2C(=O)[O-])c1 ZINC000568266555 341662249 /nfs/dbraw/zinc/66/22/49/341662249.db2.gz ZAIDQPFXGNZJNZ-JTQLQIEISA-N -1 0 306.383 3.835 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000568411013 341670483 /nfs/dbraw/zinc/67/04/83/341670483.db2.gz FDDXAFPFOUGWMX-INIZCTEOSA-N -1 0 317.429 3.844 20 0 DHADRM Cc1ccc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)o1 ZINC000569132138 341691809 /nfs/dbraw/zinc/69/18/09/341691809.db2.gz URPCWIZONASZMJ-UHFFFAOYSA-N -1 0 314.168 3.573 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)NCCCCCC(=O)[O-] ZINC000572705562 341701283 /nfs/dbraw/zinc/70/12/83/341701283.db2.gz WDSIPUCKHBQCAO-UHFFFAOYSA-N -1 0 322.405 3.549 20 0 DHADRM CC[C@@H](C)[C@@H](C)N(C(=O)CC1CCC(C(=O)[O-])CC1)C1CC1 ZINC000574455405 341759056 /nfs/dbraw/zinc/75/90/56/341759056.db2.gz BKSGQZJXEOGQAP-LMRVLLHPSA-N -1 0 309.450 3.693 20 0 DHADRM CCCc1nc(=NC(=O)Nc2cc(SC)ccc2C)s[n-]1 ZINC000575165426 341782508 /nfs/dbraw/zinc/78/25/08/341782508.db2.gz KPRVWSUNTYURBN-UHFFFAOYSA-N -1 0 322.459 3.587 20 0 DHADRM O=C([O-])c1cnccc1SC1CCC(C(F)(F)F)CC1 ZINC000575319401 341792248 /nfs/dbraw/zinc/79/22/48/341792248.db2.gz TUKFVHUTXSOSKP-UHFFFAOYSA-N -1 0 305.321 3.993 20 0 DHADRM CC[C@](C)(NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000576561456 341852317 /nfs/dbraw/zinc/85/23/17/341852317.db2.gz JHNNPHOYOZYKPY-HWPZZCPQSA-N -1 0 320.414 3.515 20 0 DHADRM C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C(C)(C)C1 ZINC000577862951 341944447 /nfs/dbraw/zinc/94/44/47/341944447.db2.gz NNACOXIYDJWJHI-SECBINFHSA-N -1 0 301.308 3.672 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262097026 518913720 /nfs/dbraw/zinc/91/37/20/518913720.db2.gz LTEXORMWWWSIQE-OLZOCXBDSA-N -1 0 307.415 3.627 20 0 DHADRM CC(C)(NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000194419005 519302201 /nfs/dbraw/zinc/30/22/01/519302201.db2.gz NHLLJJNUOXGWSB-UHFFFAOYSA-N -1 0 323.820 3.582 20 0 DHADRM CC(C)Cn1ccc2cc(NC(=O)CCCCC(=O)[O-])ccc21 ZINC000263314632 519515698 /nfs/dbraw/zinc/51/56/98/519515698.db2.gz PZDBXEIEFZHKPF-UHFFFAOYSA-N -1 0 316.401 3.881 20 0 DHADRM CC(C)CC[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236603822 519682508 /nfs/dbraw/zinc/68/25/08/519682508.db2.gz IFPZZRZAOKTRGX-OLZOCXBDSA-N -1 0 323.458 3.806 20 0 DHADRM CC(C)Oc1ccc(NC(=O)CC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000186908797 519780531 /nfs/dbraw/zinc/78/05/31/519780531.db2.gz HGRIETKPIQWEPQ-UHFFFAOYSA-N -1 0 313.781 3.567 20 0 DHADRM CC(C)[C@@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000236654803 519790128 /nfs/dbraw/zinc/79/01/28/519790128.db2.gz TXIXOWXKKAXPNI-GFCCVEGCSA-N -1 0 309.431 3.625 20 0 DHADRM CCCCC[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236805226 520286714 /nfs/dbraw/zinc/28/67/14/520286714.db2.gz CXCRVJUTCZBXEN-OLZOCXBDSA-N -1 0 323.458 3.950 20 0 DHADRM CC1CCC(N(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)CC1 ZINC000236784338 520929248 /nfs/dbraw/zinc/92/92/48/520929248.db2.gz FXDXVJZACJGNJI-UHFFFAOYSA-N -1 0 307.415 3.630 20 0 DHADRM CCC[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)cc1F ZINC000263268768 521123551 /nfs/dbraw/zinc/12/35/51/521123551.db2.gz HWNKUFBTNBWIOG-AWEZNQCLSA-N -1 0 313.344 3.567 20 0 DHADRM CCc1ccsc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000193936645 521996444 /nfs/dbraw/zinc/99/64/44/521996444.db2.gz HBUIVXRHPSVOSY-AWEZNQCLSA-N -1 0 317.410 3.646 20 0 DHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000180052127 522976202 /nfs/dbraw/zinc/97/62/02/522976202.db2.gz QKXLHJKGPDVMRL-OAHLLOKOSA-N -1 0 320.339 3.679 20 0 DHADRM CCc1oc2ccccc2c1CN(C)C(=O)CCCCC(=O)[O-] ZINC000263232144 523005912 /nfs/dbraw/zinc/00/59/12/523005912.db2.gz AZOLOGQFKQNZMU-UHFFFAOYSA-N -1 0 317.385 3.599 20 0 DHADRM CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCO1 ZINC000163703905 523563328 /nfs/dbraw/zinc/56/33/28/523563328.db2.gz WOXOQNKLWHSLGE-PSASIEDQSA-N -1 0 318.200 3.843 20 0 DHADRM CCc1ccc(Cl)c(CC)c1NC(=O)CC(C)(C)C(=O)[O-] ZINC000236981421 523952935 /nfs/dbraw/zinc/95/29/35/523952935.db2.gz IXIIGAZNRVARJR-UHFFFAOYSA-N -1 0 311.809 3.904 20 0 DHADRM Cc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000236639548 524240627 /nfs/dbraw/zinc/24/06/27/524240627.db2.gz DPMALKLIPOXDGQ-UHFFFAOYSA-N -1 0 317.341 3.634 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000249377806 524698437 /nfs/dbraw/zinc/69/84/37/524698437.db2.gz UJIXSNSIGNSMQP-FHIRATQRSA-N -1 0 315.413 3.632 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CCc2ccsc2)cc1)C(=O)[O-] ZINC000191393438 524891938 /nfs/dbraw/zinc/89/19/38/524891938.db2.gz QBOHRDSTVWALHF-LBPRGKRZSA-N -1 0 317.410 3.583 20 0 DHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000338199636 525081015 /nfs/dbraw/zinc/08/10/15/525081015.db2.gz ONIMTBGDJLJWMP-CYBMUJFWSA-N -1 0 313.353 3.521 20 0 DHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237344907 525347692 /nfs/dbraw/zinc/34/76/92/525347692.db2.gz LAQYSTMEDLWCHO-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCCC(=O)[O-] ZINC000263240502 525365713 /nfs/dbraw/zinc/36/57/13/525365713.db2.gz CDUAXWQWHVXHAK-MRXNPFEDSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1ccc(-c2ccsc2C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000237019973 525763904 /nfs/dbraw/zinc/76/39/04/525763904.db2.gz ONWUDGAAGHXCDG-UHFFFAOYSA-N -1 0 317.410 3.660 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCCCCCC(=O)[O-] ZINC000237797739 525897075 /nfs/dbraw/zinc/89/70/75/525897075.db2.gz NYVUYHZDWYQMGI-UONOGXRCSA-N -1 0 323.458 3.701 20 0 DHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237396070 525899587 /nfs/dbraw/zinc/89/95/87/525899587.db2.gz IYDCUXKIQQWMGL-LLVKDONJSA-N -1 0 323.364 3.590 20 0 DHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237756374 525967671 /nfs/dbraw/zinc/96/76/71/525967671.db2.gz VYGWMVSDAHFZMD-HNNXBMFYSA-N -1 0 323.348 3.584 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@H](C)CC1)C(=O)[O-] ZINC000237716908 525992932 /nfs/dbraw/zinc/99/29/32/525992932.db2.gz BDAVRRJSAPKCCC-STQMWFEESA-N -1 0 321.442 3.514 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237353867 525994258 /nfs/dbraw/zinc/99/42/58/525994258.db2.gz QYWQWLPZYNAZKR-UPJWGTAASA-N -1 0 321.442 3.560 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)NCCC1CCCC1)C(=O)[O-] ZINC000237373003 525994920 /nfs/dbraw/zinc/99/49/20/525994920.db2.gz AKYKERMGLMKAJK-GFCCVEGCSA-N -1 0 321.442 3.562 20 0 DHADRM C[C@H](C(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)s1 ZINC000237424733 526043347 /nfs/dbraw/zinc/04/33/47/526043347.db2.gz ZNJUQRKCKZJDAX-JTQLQIEISA-N -1 0 317.838 3.656 20 0 DHADRM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(Cl)s1 ZINC000162839430 526094831 /nfs/dbraw/zinc/09/48/31/526094831.db2.gz MBOZIOQFJYNVLM-LURJTMIESA-N -1 0 301.717 3.505 20 0 DHADRM O=C([O-])c1cccc(OC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000045949385 526393409 /nfs/dbraw/zinc/39/34/09/526393409.db2.gz XESYXCKOQCJHRA-UHFFFAOYSA-N -1 0 323.348 3.794 20 0 DHADRM O=C([O-])c1nc(/C=C/c2ccsc2)sc1Br ZINC000336750404 526406928 /nfs/dbraw/zinc/40/69/28/526406928.db2.gz UWCZRHYPIHIVSY-OWOJBTEDSA-N -1 0 316.201 3.836 20 0 DHADRM Cc1cscc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237808388 526463423 /nfs/dbraw/zinc/46/34/23/526463423.db2.gz IXBKTQCGUWSVSC-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM Cc1nc([C@@H](C)NC(=O)CCCC(C)(C)C)sc1C(=O)[O-] ZINC000237549064 527025487 /nfs/dbraw/zinc/02/54/87/527025487.db2.gz SQWNGNWPLDJHMS-SNVBAGLBSA-N -1 0 312.435 3.543 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000238212245 527593459 /nfs/dbraw/zinc/59/34/59/527593459.db2.gz ZQQANQPOARWMOH-CYBMUJFWSA-N -1 0 319.426 3.689 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)CC2CCC2)c1 ZINC000181860119 527594034 /nfs/dbraw/zinc/59/40/34/527594034.db2.gz XHVZNQDJQASVBK-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000238035479 527600377 /nfs/dbraw/zinc/60/03/77/527600377.db2.gz YSDNHXUNEFBVIL-UHFFFAOYSA-N -1 0 323.392 3.665 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000157807029 527602513 /nfs/dbraw/zinc/60/25/13/527602513.db2.gz IMPIQFVTYZYEBO-UHFFFAOYSA-N -1 0 309.774 3.671 20 0 DHADRM O=C([O-])[C@@H]1CCCCN1Cc1csc(C2CCCCC2)n1 ZINC000158384301 527659441 /nfs/dbraw/zinc/65/94/41/527659441.db2.gz YFFXEUKOMGUQLS-AWEZNQCLSA-N -1 0 308.447 3.630 20 0 DHADRM CC(C)c1nc(C(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000736524905 599810915 /nfs/dbraw/zinc/81/09/15/599810915.db2.gz KSUANVHBYLDUQF-UHFFFAOYSA-N -1 0 305.359 3.609 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)N(C)CCC(=O)[O-])c(C)c1 ZINC000263497043 596985965 /nfs/dbraw/zinc/98/59/65/596985965.db2.gz RHNLIXLMHCVWFE-LBPRGKRZSA-N -1 0 324.446 3.824 20 0 DHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)CCC(=O)[O-] ZINC000263503735 596986157 /nfs/dbraw/zinc/98/61/57/596986157.db2.gz UUPCFSGTEGJKEP-UHFFFAOYSA-N -1 0 324.446 3.824 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000320193120 597115665 /nfs/dbraw/zinc/11/56/65/597115665.db2.gz VDVSOAYAIWBIBS-ZDUSSCGKSA-N -1 0 312.369 3.558 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737777558 597184517 /nfs/dbraw/zinc/18/45/17/597184517.db2.gz USYSSASGGFRXOP-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000325766447 597188240 /nfs/dbraw/zinc/18/82/40/597188240.db2.gz JPALFSZMXVFAJO-KRWDZBQOSA-N -1 0 324.380 3.513 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818161934 597203566 /nfs/dbraw/zinc/20/35/66/597203566.db2.gz HFDAUDYXFQLQCK-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])c1ccc(C[S@@](=O)CCc2ccccc2Cl)cc1 ZINC000819687552 597288651 /nfs/dbraw/zinc/28/86/51/597288651.db2.gz SCIRCPYIJPSCGU-NRFANRHFSA-N -1 0 322.813 3.530 20 0 DHADRM CCC[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818157157 597318572 /nfs/dbraw/zinc/31/85/72/597318572.db2.gz POJJFDWBXYAOOF-INIZCTEOSA-N -1 0 311.381 3.836 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817797130 597336350 /nfs/dbraw/zinc/33/63/50/597336350.db2.gz KFGPTUNFXUOZMV-AWEZNQCLSA-N -1 0 318.417 3.746 20 0 DHADRM Cc1ccc([C@H](NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000821070117 597735494 /nfs/dbraw/zinc/73/54/94/597735494.db2.gz PWKTUKHBNGOLMN-ZDUSSCGKSA-N -1 0 313.275 3.679 20 0 DHADRM CCSc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000820405785 598040439 /nfs/dbraw/zinc/04/04/39/598040439.db2.gz XFCMSCLKWHKWIP-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM O=C([O-])CCCCNC(=S)Nc1ccc(Cl)cc1Cl 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DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000833186361 600873254 /nfs/dbraw/zinc/87/32/54/600873254.db2.gz CXMWFJFCGFMJAR-RKDXNWHRSA-N -1 0 317.168 3.790 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2cccc(C(F)(F)F)c2)C1 ZINC000833186939 600873276 /nfs/dbraw/zinc/87/32/76/600873276.db2.gz KNELXBOXPTUZCE-UWVGGRQHSA-N -1 0 316.275 3.502 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2cc(Cl)ccc2Cl)C1 ZINC000833187325 600873414 /nfs/dbraw/zinc/87/34/14/600873414.db2.gz OVHJIURYPVGNCJ-DTWKUNHWSA-N -1 0 317.168 3.790 20 0 DHADRM CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000323379969 600875672 /nfs/dbraw/zinc/87/56/72/600875672.db2.gz GYBBGBQKMOPWNV-FMKPAKJESA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000163614700 600883656 /nfs/dbraw/zinc/88/36/56/600883656.db2.gz XGVBOYGDCCCNGX-MDZDMXLPSA-N -1 0 315.394 3.762 20 0 DHADRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000829590964 600886120 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C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 ZINC000776630375 601162682 /nfs/dbraw/zinc/16/26/82/601162682.db2.gz UKFSJXJMIFHEAQ-CFVUCJATSA-N -1 0 315.413 3.701 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829134165 601173216 /nfs/dbraw/zinc/17/32/16/601173216.db2.gz PEZAXBASRQYHSB-ARFHVFGLSA-N -1 0 315.413 3.635 20 0 DHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000833172043 601183257 /nfs/dbraw/zinc/18/32/57/601183257.db2.gz QQKYEJUGOCTGMT-JKSUJKDBSA-N -1 0 303.308 3.538 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc3sccc3s2)CCCCC1 ZINC000123289681 601186595 /nfs/dbraw/zinc/18/65/95/601186595.db2.gz OYPDQHKTJIJZJM-UHFFFAOYSA-N -1 0 323.439 3.870 20 0 DHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828161869 601191453 /nfs/dbraw/zinc/19/14/53/601191453.db2.gz PWQGKUHMLMYKLS-SWLSCSKDSA-N -1 0 318.417 3.650 20 0 DHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000827826468 601191875 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CC[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000829004268 601239903 /nfs/dbraw/zinc/23/99/03/601239903.db2.gz DHNLVLWZUITZHM-FMKPAKJESA-N -1 0 320.385 3.581 20 0 DHADRM CC(C)CCC[C@H](C)NC(=O)CNc1cccc(NC(=O)[O-])c1 ZINC000826849063 601247326 /nfs/dbraw/zinc/24/73/26/601247326.db2.gz QWAVDTQAIJJGDI-ZDUSSCGKSA-N -1 0 321.421 3.519 20 0 DHADRM CCc1cccc(OCCNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000830265688 601249331 /nfs/dbraw/zinc/24/93/31/601249331.db2.gz KGEYHVBXKBWISF-UHFFFAOYSA-N -1 0 318.348 3.969 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000832917798 601266431 /nfs/dbraw/zinc/26/64/31/601266431.db2.gz ZFDUPDUFTPEVRH-DVOMOZLQSA-N -1 0 316.401 3.878 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828201692 601266962 /nfs/dbraw/zinc/26/69/62/601266962.db2.gz UYSXUAKADCKTIT-LALPHHSUSA-N -1 0 302.374 3.570 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000539603823 601273244 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C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C1CCCC1 ZINC000825994352 601287489 /nfs/dbraw/zinc/28/74/89/601287489.db2.gz FNNDGFKKQAPQFS-NHYWBVRUSA-N -1 0 323.820 3.798 20 0 DHADRM O=C([O-])CC1(NC(=O)C/C=C/c2ccc(F)cc2)CCCCC1 ZINC000532255648 601291289 /nfs/dbraw/zinc/29/12/89/601291289.db2.gz IWCVCFAILCXNIS-SNAWJCMRSA-N -1 0 319.376 3.523 20 0 DHADRM CCSCc1ccc(C(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC000262060367 601305361 /nfs/dbraw/zinc/30/53/61/601305361.db2.gz BAURXINKIUKMBO-UHFFFAOYSA-N -1 0 323.458 3.703 20 0 DHADRM CC(=O)[C@H](C)SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000825809233 601309074 /nfs/dbraw/zinc/30/90/74/601309074.db2.gz OXYHFJJPZRXWJG-QMMMGPOBSA-N -1 0 312.387 3.949 20 0 DHADRM Cc1cc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1C(=O)[O-] ZINC000832894721 601336890 /nfs/dbraw/zinc/33/68/90/601336890.db2.gz NGPVLPGKBUGZDY-DVOMOZLQSA-N -1 0 316.401 3.878 20 0 DHADRM Cc1cc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1C(=O)[O-] ZINC000832894724 601337035 /nfs/dbraw/zinc/33/70/35/601337035.db2.gz NGPVLPGKBUGZDY-IOASZLSFSA-N -1 0 316.401 3.878 20 0 DHADRM Cc1oc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1C(=O)[O-] ZINC000833025905 601346383 /nfs/dbraw/zinc/34/63/83/601346383.db2.gz AFOFULJDZIVEPL-QMMMGPOBSA-N -1 0 318.300 3.694 20 0 DHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827767653 601348185 /nfs/dbraw/zinc/34/81/85/601348185.db2.gz GWHKRHQESYNDOE-LLVKDONJSA-N -1 0 317.389 3.913 20 0 DHADRM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828233820 601381140 /nfs/dbraw/zinc/38/11/40/601381140.db2.gz SSUSACYMMBAMGO-QWRGUYRKSA-N -1 0 305.378 3.723 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(Br)cc1 ZINC000830379041 601389438 /nfs/dbraw/zinc/38/94/38/601389438.db2.gz HLDIKLPCXRNPDM-UHFFFAOYSA-N -1 0 324.174 3.915 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(OC(F)F)cc1 ZINC000830379396 601390338 /nfs/dbraw/zinc/39/03/38/601390338.db2.gz UVJZHEKECJFQMU-UHFFFAOYSA-N -1 0 311.284 3.754 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(-c2ccnc(C)n2)c1 ZINC000833009633 601390637 /nfs/dbraw/zinc/39/06/37/601390637.db2.gz LLNMAOXOZNHBBL-UHFFFAOYSA-N -1 0 323.352 3.664 20 0 DHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000237619506 601393005 /nfs/dbraw/zinc/39/30/05/601393005.db2.gz MCCNESDWKHQLND-XUWKDAGASA-N -1 0 323.392 3.668 20 0 DHADRM CC(C)(c1cccs1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000826641874 601402136 /nfs/dbraw/zinc/40/21/36/601402136.db2.gz ISCFGXZXFYDEJX-UHFFFAOYSA-N -1 0 314.366 3.822 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1 ZINC000094291086 601403568 /nfs/dbraw/zinc/40/35/68/601403568.db2.gz CWHBQBJQVKFAGT-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM O=C([O-])c1cccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)c1 ZINC000833327993 601403627 /nfs/dbraw/zinc/40/36/27/601403627.db2.gz POJFHBBXQSSZPT-UHFFFAOYSA-N -1 0 324.311 3.654 20 0 DHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CC1 ZINC000826061238 601403949 /nfs/dbraw/zinc/40/39/49/601403949.db2.gz HBNICIPXGIRUED-JMCQJSRRSA-N -1 0 317.168 3.708 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSc1nncc2ccccc21 ZINC000830398259 601405981 /nfs/dbraw/zinc/40/59/81/601405981.db2.gz JKSXJTWKWGRCLZ-UHFFFAOYSA-N -1 0 314.366 3.776 20 0 DHADRM Cc1cc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)ccc1F ZINC000832872038 601428562 /nfs/dbraw/zinc/42/85/62/601428562.db2.gz XVNAOXCBFRKQHM-LLVKDONJSA-N -1 0 316.332 3.715 20 0 DHADRM O=C([O-])[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000833171654 601433888 /nfs/dbraw/zinc/43/38/88/601433888.db2.gz ZRZNWEKIEUMBEP-HNNXBMFYSA-N -1 0 307.296 3.568 20 0 DHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000828764827 601441853 /nfs/dbraw/zinc/44/18/53/601441853.db2.gz OCYPGFUSZAKETR-JTQLQIEISA-N -1 0 319.382 3.876 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827934705 601442295 /nfs/dbraw/zinc/44/22/95/601442295.db2.gz IKZJUUMBOPJRME-ISVAXAHUSA-N -1 0 306.164 3.553 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C\c2cccc(F)c2)s1 ZINC000833096999 601442647 /nfs/dbraw/zinc/44/26/47/601442647.db2.gz 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/nfs/dbraw/zinc/46/84/09/601468409.db2.gz NRYJXOHLBNADSH-GFCCVEGCSA-N -1 0 310.758 3.693 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(F)cc2c1C ZINC000237056804 601471716 /nfs/dbraw/zinc/47/17/16/601471716.db2.gz QURIHOUEMMYXHW-INIZCTEOSA-N -1 0 323.389 3.722 20 0 DHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000826065187 601474938 /nfs/dbraw/zinc/47/49/38/601474938.db2.gz WBKOSQZNWSFCIQ-SECBINFHSA-N -1 0 324.785 3.947 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 ZINC000094292155 601476500 /nfs/dbraw/zinc/47/65/00/601476500.db2.gz BNYVYXJOLXTSIU-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM CCc1ccc(CC)c(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000830244974 601497909 /nfs/dbraw/zinc/49/79/09/601497909.db2.gz NNYPNGYXLFFOEN-UHFFFAOYSA-N -1 0 314.385 3.707 20 0 DHADRM C[C@H]1CC/C(=C\C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000828208056 601500827 /nfs/dbraw/zinc/50/08/27/601500827.db2.gz XCKCKGVMXBDANE-OQZOHAQUSA-N -1 0 319.426 3.689 20 0 DHADRM O=C([O-])c1ccc(CNc2ccccc2Br)cc1 ZINC000032204522 601501303 /nfs/dbraw/zinc/50/13/03/601501303.db2.gz QAHLSOVTCKZKFI-UHFFFAOYSA-N -1 0 306.159 3.759 20 0 DHADRM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000828207710 601502170 /nfs/dbraw/zinc/50/21/70/601502170.db2.gz PLJYEDFOMSQKJZ-NXXVSJRMSA-N -1 0 317.385 3.615 20 0 DHADRM Cc1ccc(/C=C\CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832929189 601504930 /nfs/dbraw/zinc/50/49/30/601504930.db2.gz NGGVQTWXJHQJNE-IHWYPQMZSA-N -1 0 301.367 3.797 20 0 DHADRM Cc1c(NC(=O)C2(Cc3ccccc3)CC2)cccc1C(=O)[O-] ZINC000832856881 601532555 /nfs/dbraw/zinc/53/25/55/601532555.db2.gz AHTMHZOQXYRXAW-UHFFFAOYSA-N -1 0 309.365 3.655 20 0 DHADRM O=C([O-])c1ccc(NC(=O)/C=C\SCc2ccco2)c(F)c1 ZINC000821369629 601571396 /nfs/dbraw/zinc/57/13/96/601571396.db2.gz WJSYMFZRCNUYIP-ALCCZGGFSA-N -1 0 321.329 3.503 20 0 DHADRM CC(C)(O)CCOc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000826636717 601577807 /nfs/dbraw/zinc/57/78/07/601577807.db2.gz GBDIAWAUCOYXJA-UHFFFAOYSA-N -1 0 306.383 3.653 20 0 DHADRM O=C([O-])[C@@H](NC(=O)CC1CCCCC1)c1ccc(Cl)cc1 ZINC000540668019 601580610 /nfs/dbraw/zinc/58/06/10/601580610.db2.gz PKVATLCGFZLOEK-HNNXBMFYSA-N -1 0 309.793 3.552 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000391252741 601597760 /nfs/dbraw/zinc/59/77/60/601597760.db2.gz CGBVHEFYVFIXNY-ZBFHGGJFSA-N -1 0 317.429 3.578 20 0 DHADRM Cc1cccc2[nH]c(COC(=O)c3ccc(C(=O)[O-])s3)cc21 ZINC000832976014 601599649 /nfs/dbraw/zinc/59/96/49/601599649.db2.gz HNZNCYSVXNNJST-UHFFFAOYSA-N -1 0 315.350 3.593 20 0 DHADRM CC(C)c1nc(CNc2ccc(C(C)C)cc2C(=O)[O-])no1 ZINC000827124645 601605898 /nfs/dbraw/zinc/60/58/98/601605898.db2.gz RMCIEUUBHFXJKK-UHFFFAOYSA-N -1 0 303.362 3.627 20 0 DHADRM Cc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832978901 601614831 /nfs/dbraw/zinc/61/48/31/601614831.db2.gz RQFJFQPRKADGJM-CJNGLKHVSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CSc1ncc2ccccn21 ZINC000833031309 601621324 /nfs/dbraw/zinc/62/13/24/601621324.db2.gz LMJHIFJCVREJNQ-UHFFFAOYSA-N -1 0 304.396 3.695 20 0 DHADRM CC(C)CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)C1CCCC1 ZINC000321126001 601621525 /nfs/dbraw/zinc/62/15/25/601621525.db2.gz IJSKMPSQDJTCQR-UHFFFAOYSA-N -1 0 318.417 3.746 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC000315915782 601625459 /nfs/dbraw/zinc/62/54/59/601625459.db2.gz PCYDVHCFAVLRDX-IINYFYTJSA-N -1 0 322.792 3.835 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COc1ccc2c(c1)CCCC2=O ZINC000387954544 601633907 /nfs/dbraw/zinc/63/39/07/601633907.db2.gz XDSYNVCEGHWWEZ-UHFFFAOYSA-N -1 0 316.378 3.853 20 0 DHADRM COC(=O)Nc1ccccc1OCc1cc(C(=O)[O-])sc1C ZINC000831215375 601639443 /nfs/dbraw/zinc/63/94/43/601639443.db2.gz RVPOMJHJDUYFPB-UHFFFAOYSA-N -1 0 321.354 3.512 20 0 DHADRM O=C([O-])c1coc(COc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000320517630 601643536 /nfs/dbraw/zinc/64/35/36/601643536.db2.gz ZTPXGPIBRWMXCS-UHFFFAOYSA-N -1 0 313.265 3.618 20 0 DHADRM CCCCC[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236673510 601646992 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/nfs/dbraw/zinc/34/46/86/602344686.db2.gz VBCBLBNHUUPEMQ-UHFFFAOYSA-N -1 0 319.382 3.630 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000767200658 602353488 /nfs/dbraw/zinc/35/34/88/602353488.db2.gz QUWMLKRLHJXEJI-NSHDSACASA-N -1 0 301.317 3.656 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000224832076 602358241 /nfs/dbraw/zinc/35/82/41/602358241.db2.gz XGIMIBXWECCWER-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828527856 602372995 /nfs/dbraw/zinc/37/29/95/602372995.db2.gz PSSMNLHARZTPQR-SNVBAGLBSA-N -1 0 314.316 3.633 20 0 DHADRM CCc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000317888978 602382256 /nfs/dbraw/zinc/38/22/56/602382256.db2.gz BDPASBOTSCJUOE-UHFFFAOYSA-N -1 0 302.305 3.730 20 0 DHADRM CC(C)CN(CC(C)(C)C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000826871230 602393066 /nfs/dbraw/zinc/39/30/66/602393066.db2.gz QATFWIFNTIVEJB-UHFFFAOYSA-N -1 0 306.406 3.921 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1 ZINC000827128881 602396366 /nfs/dbraw/zinc/39/63/66/602396366.db2.gz AQFVVWVTIADUKA-UHFFFAOYSA-N -1 0 318.760 3.809 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(/C=C\c2cccs2)n1 ZINC000738816467 602408466 /nfs/dbraw/zinc/40/84/66/602408466.db2.gz KEASUFPRDUZDBZ-ISALQUGTSA-N -1 0 307.375 3.656 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(/C=C/c2cccc(F)c2)n1 ZINC000738816007 602409028 /nfs/dbraw/zinc/40/90/28/602409028.db2.gz ILIMENMDENUVTQ-KTRBRXNASA-N -1 0 319.336 3.734 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Oc2ccccc2)n1 ZINC000738817426 602409626 /nfs/dbraw/zinc/40/96/26/602409626.db2.gz RKUZXBWHVCSYBN-DGCLKSJQSA-N -1 0 319.361 3.564 20 0 DHADRM Cc1ccc(C)c(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740116947 602410080 /nfs/dbraw/zinc/41/00/80/602410080.db2.gz PREXEGHDOHXUTP-ZDUSSCGKSA-N -1 0 303.362 3.708 20 0 DHADRM O=C([O-])Nc1ccc(Cc2nc(-c3cccc(F)c3)no2)cc1 ZINC000740703489 602415668 /nfs/dbraw/zinc/41/56/68/602415668.db2.gz 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ZINC000739222344 602488327 /nfs/dbraw/zinc/48/83/27/602488327.db2.gz FJECIDLTYMLXFK-QWRGUYRKSA-N -1 0 322.380 3.955 20 0 DHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738674088 602488423 /nfs/dbraw/zinc/48/84/23/602488423.db2.gz CMZUOSRLWRGFKB-ZDUSSCGKSA-N -1 0 308.353 3.566 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000740712073 602501107 /nfs/dbraw/zinc/50/11/07/602501107.db2.gz LAVHQYBYTJODJL-UHFFFAOYSA-N -1 0 302.355 3.579 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000740707308 602501836 /nfs/dbraw/zinc/50/18/36/602501836.db2.gz GVIWHRIYNDKHPB-CABCVRRESA-N -1 0 314.316 3.658 20 0 DHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736473943 602598971 /nfs/dbraw/zinc/59/89/71/602598971.db2.gz FFLAGNAELAVFMG-UHFFFAOYSA-N -1 0 317.345 3.812 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000740710731 602601461 /nfs/dbraw/zinc/60/14/61/602601461.db2.gz YGZFAVWEDXOVKG-CYBMUJFWSA-N -1 0 315.329 3.569 20 0 DHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740185399 602601697 /nfs/dbraw/zinc/60/16/97/602601697.db2.gz VHXFEQORDUVEAC-UHFFFAOYSA-N -1 0 313.357 3.749 20 0 DHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738917142 602602724 /nfs/dbraw/zinc/60/27/24/602602724.db2.gz CCMSLHKZTMSRLG-GFCCVEGCSA-N -1 0 313.357 3.702 20 0 DHADRM CCCCN(CC)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739332249 602605793 /nfs/dbraw/zinc/60/57/93/602605793.db2.gz GKZTVZLTHUWEHK-UHFFFAOYSA-N -1 0 319.405 3.771 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739304287 602605953 /nfs/dbraw/zinc/60/59/53/602605953.db2.gz YHLIEOAHQNLDBB-LBPRGKRZSA-N -1 0 319.405 3.770 20 0 DHADRM CC[C@H](C)CN(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739241649 602606101 /nfs/dbraw/zinc/60/61/01/602606101.db2.gz ZIRJZLWZKMIBDK-LBPRGKRZSA-N -1 0 319.405 3.627 20 0 DHADRM CC(C)[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738764828 602606635 /nfs/dbraw/zinc/60/66/35/602606635.db2.gz GSQMYXUGJFUXOM-LBPRGKRZSA-N -1 0 319.405 3.625 20 0 DHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739223596 602607609 /nfs/dbraw/zinc/60/76/09/602607609.db2.gz IUIWFWAINBPBNG-NWDGAFQWSA-N -1 0 319.405 3.673 20 0 DHADRM CC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739263164 602607743 /nfs/dbraw/zinc/60/77/43/602607743.db2.gz AXUKKXLPOJYWEG-CQSZACIVSA-N -1 0 317.389 3.524 20 0 DHADRM COc1ccc(Cl)cc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739909082 602625825 /nfs/dbraw/zinc/62/58/25/602625825.db2.gz ZFJCSCZROXQOLT-UHFFFAOYSA-N -1 0 320.732 3.691 20 0 DHADRM CCC[C@H](C)CC(=O)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739303273 602646316 /nfs/dbraw/zinc/64/63/16/602646316.db2.gz VGHLSDABBKHBEO-ZDUSSCGKSA-N -1 0 318.417 3.560 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000738666211 602656724 /nfs/dbraw/zinc/65/67/24/602656724.db2.gz UJDVQTJCYSMHDV-ZDUSSCGKSA-N -1 0 324.380 3.910 20 0 DHADRM CCS[C@@H]1CCCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000737229443 602657409 /nfs/dbraw/zinc/65/74/09/602657409.db2.gz KSNUFKSAGCHCGD-CQSZACIVSA-N -1 0 322.430 3.524 20 0 DHADRM CCS[C@H]1CCCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000737229441 602657443 /nfs/dbraw/zinc/65/74/43/602657443.db2.gz KSNUFKSAGCHCGD-AWEZNQCLSA-N -1 0 322.430 3.524 20 0 DHADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000739310304 602676071 /nfs/dbraw/zinc/67/60/71/602676071.db2.gz HATPOJKWKRCDOW-GWCFXTLKSA-N -1 0 320.414 3.515 20 0 DHADRM COc1cc(NC(=O)CC2=CCCCC2)ccc1NC(=O)[O-] ZINC000739869656 602726553 /nfs/dbraw/zinc/72/65/53/602726553.db2.gz ZQGQWDQOQLNCND-UHFFFAOYSA-N -1 0 304.346 3.614 20 0 DHADRM O=C([O-])NC1(c2nc(-c3ccc(O)cc3)cs2)CCCC1 ZINC000740549137 602744369 /nfs/dbraw/zinc/74/43/69/602744369.db2.gz YYBXAUDRDSKJCI-UHFFFAOYSA-N -1 0 304.371 3.553 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739280514 602750010 /nfs/dbraw/zinc/75/00/10/602750010.db2.gz WFDFAEIQYCDBRA-AWEZNQCLSA-N -1 0 324.352 3.592 20 0 DHADRM CCN(C(=O)CCC(C)(C)NC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000739378316 602793902 /nfs/dbraw/zinc/79/39/02/602793902.db2.gz QQEKGDUPZPMNHY-GFCCVEGCSA-N -1 0 324.396 3.562 20 0 DHADRM Cc1c2ccccc2oc1-c1csc(CN(C)C(=O)[O-])n1 ZINC000740031868 602810719 /nfs/dbraw/zinc/81/07/19/602810719.db2.gz PXQWFJUXRSRETP-UHFFFAOYSA-N -1 0 302.355 3.975 20 0 DHADRM CCC(CC)N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)C1CC1 ZINC000826571234 602811689 /nfs/dbraw/zinc/81/16/89/602811689.db2.gz DHYLFZJGSZBFFX-UHFFFAOYSA-N -1 0 304.390 3.878 20 0 DHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC000740695219 602813107 /nfs/dbraw/zinc/81/31/07/602813107.db2.gz FKDQWPQTTXRUHI-DMDPSCGWSA-N -1 0 320.364 3.614 20 0 DHADRM Cc1ccc([C@@H](C)CNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738552369 602814093 /nfs/dbraw/zinc/81/40/93/602814093.db2.gz QMDJJPZQACVHAU-ZDUSSCGKSA-N -1 0 312.369 3.618 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)Cc2cc3ccccc3o2)cc1 ZINC000738669746 602962699 /nfs/dbraw/zinc/96/26/99/602962699.db2.gz OXVMJJMXLCPXPG-UHFFFAOYSA-N -1 0 311.293 3.671 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000738669374 602967317 /nfs/dbraw/zinc/96/73/17/602967317.db2.gz KXGXRHGUMISHLS-UHFFFAOYSA-N -1 0 315.112 3.631 20 0 DHADRM Cc1ccc2cccc(C(=O)Oc3ccc(NC(=O)[O-])cc3)c2n1 ZINC000738297832 602968083 /nfs/dbraw/zinc/96/80/83/602968083.db2.gz PDCIFQTUDLHHQA-UHFFFAOYSA-N -1 0 322.320 3.852 20 0 DHADRM Cc1ccc2c(CC(=O)Oc3ccc(NC(=O)[O-])cc3)c[nH]c2c1 ZINC000738293525 602969329 /nfs/dbraw/zinc/96/93/29/602969329.db2.gz SBDIMQKELUXZMV-UHFFFAOYSA-N -1 0 324.336 3.714 20 0 DHADRM CCN(C(=O)CC(C)(C)NC(=O)[O-])c1ccc2ccccc2c1 ZINC000739378701 602976075 /nfs/dbraw/zinc/97/60/75/602976075.db2.gz WDMQCYRXHIQVLG-UHFFFAOYSA-N -1 0 314.385 3.629 20 0 DHADRM CCn1c(C)cc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1C ZINC000739561862 603000703 /nfs/dbraw/zinc/00/07/03/603000703.db2.gz MCYUMORCTJKDRD-ZDUSSCGKSA-N -1 0 320.393 3.530 20 0 DHADRM CCn1c(C)cc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1C ZINC000739561860 603000804 /nfs/dbraw/zinc/00/08/04/603000804.db2.gz MCYUMORCTJKDRD-CYBMUJFWSA-N -1 0 320.393 3.530 20 0 DHADRM COc1cc(NC(=O)/C=C/C2CCCCC2)ccc1NC(=O)[O-] ZINC000739866544 603006555 /nfs/dbraw/zinc/00/65/55/603006555.db2.gz ONJBFBDIRKHZHF-JXMROGBWSA-N -1 0 318.373 3.860 20 0 DHADRM Cc1cccc([C@H](C)CNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738691158 603012004 /nfs/dbraw/zinc/01/20/04/603012004.db2.gz MDKILUXQSWVAFS-CYBMUJFWSA-N -1 0 312.369 3.618 20 0 DHADRM O=C([O-])Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 ZINC000738661029 603024010 /nfs/dbraw/zinc/02/40/10/603024010.db2.gz ISZRLNIMTJTXCZ-UHFFFAOYSA-N -1 0 313.288 3.556 20 0 DHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739086357 603032546 /nfs/dbraw/zinc/03/25/46/603032546.db2.gz AHSFAYGHDXNBCR-CMPLNLGQSA-N -1 0 323.368 3.958 20 0 DHADRM C[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CCCC1 ZINC000738988119 603037557 /nfs/dbraw/zinc/03/75/57/603037557.db2.gz MSXKBDPTMZJJNW-SECBINFHSA-N -1 0 309.341 3.616 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCc2ccccc2)cc1 ZINC000827907801 603044487 /nfs/dbraw/zinc/04/44/87/603044487.db2.gz FGLFQPDPTVJHGK-UHFFFAOYSA-N -1 0 313.353 3.729 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2cccc(Cl)c2)cc1 ZINC000827908015 603049529 /nfs/dbraw/zinc/04/95/29/603049529.db2.gz GEGIPUZKWPWBJO-UHFFFAOYSA-N -1 0 319.744 3.602 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1 ZINC000827914029 603052062 /nfs/dbraw/zinc/05/20/62/603052062.db2.gz DFTKYOYKMNBVAO-UHFFFAOYSA-N -1 0 317.366 3.570 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739301865 603066209 /nfs/dbraw/zinc/06/62/09/603066209.db2.gz CDWZKKHUHQGLTD-FHERZECASA-N -1 0 324.465 3.678 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826768614 603069322 /nfs/dbraw/zinc/06/93/22/603069322.db2.gz IMEZKKCFYQOPBI-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM COc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1NC(=O)[O-] ZINC000739916625 603092843 /nfs/dbraw/zinc/09/28/43/603092843.db2.gz 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CC[C@@](NC(=O)C[C@@H](C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000485380453 939228776 /nfs/dbraw/zinc/22/87/76/939228776.db2.gz VEGRLPPBENFIFI-ACJLOTCBSA-N -1 0 305.418 3.565 20 0 DHADRM O=C(/C=C/C1CCCCCC1)N[C@H](C(=O)[O-])c1cccs1 ZINC000846118432 939232706 /nfs/dbraw/zinc/23/27/06/939232706.db2.gz XVNXYDXNEVSJNP-FEAKQIBJSA-N -1 0 307.415 3.517 20 0 DHADRM CC(C)(C)Sc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000852950715 939240213 /nfs/dbraw/zinc/24/02/13/939240213.db2.gz MBSXTKXZLOQJJZ-ZDUSSCGKSA-N -1 0 307.415 3.627 20 0 DHADRM CC(C)(C)c1ccc(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000914731863 939783399 /nfs/dbraw/zinc/78/33/99/939783399.db2.gz XIXPUFUVRUJKDV-DHZHZOJOSA-N -1 0 315.413 3.511 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccc2ccccc2c1 ZINC000630162249 939812950 /nfs/dbraw/zinc/81/29/50/939812950.db2.gz FTSFEBHOSOKAQL-SJORKVTESA-N -1 0 323.392 3.662 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000630192098 939816192 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Cc1oc2ccccc2c1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC001600860061 970872136 /nfs/dbraw/zinc/87/21/36/970872136.db2.gz GFZPNVGKUBEUMT-UHFFFAOYSA-N -1 0 323.348 3.550 20 0 DHADRM Cc1cnc([C@@H](C)SCCOc2ccccc2C(=O)[O-])o1 ZINC001611215600 970938900 /nfs/dbraw/zinc/93/89/00/970938900.db2.gz LBVJEUZIROXWCP-LLVKDONJSA-N -1 0 307.371 3.554 20 0 DHADRM Cc1nc(C2CCCCC2)sc1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001611232684 970948024 /nfs/dbraw/zinc/94/80/24/970948024.db2.gz ZGOKKXCMYJYWCD-QMMMGPOBSA-N -1 0 321.402 3.737 20 0 DHADRM O=C([O-])CCc1cccc(NCc2cc(F)c(F)c(F)c2)c1 ZINC001602044028 971129468 /nfs/dbraw/zinc/12/94/68/971129468.db2.gz FXMDCCIJGZHWFY-UHFFFAOYSA-N -1 0 309.287 3.733 20 0 DHADRM O=C([O-])c1ccccc1OCCN(CC1CC1)c1ccccc1 ZINC001602472985 971205580 /nfs/dbraw/zinc/20/55/80/971205580.db2.gz NOACPWUFSGICIQ-UHFFFAOYSA-N -1 0 311.381 3.680 20 0 DHADRM CC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])s2)cc1Cl ZINC001602765385 971491294 /nfs/dbraw/zinc/49/12/94/971491294.db2.gz ZPDMRODRMAUXSJ-UHFFFAOYSA-N -1 0 324.789 3.670 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000019231927 948785378 /nfs/dbraw/zinc/78/53/78/948785378.db2.gz ILASNVPIZIERCT-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM CC(C)c1cccc(Nc2nc(-c3nnn[n-]3)c(Cl)s2)c1 ZINC001574419655 948785740 /nfs/dbraw/zinc/78/57/40/948785740.db2.gz IJMDBJSGXHAXBL-UHFFFAOYSA-N -1 0 320.809 3.844 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCCc2ccccc2)C1 ZINC001589591732 949092292 /nfs/dbraw/zinc/09/22/92/949092292.db2.gz IVFUHPNTRUWGKH-LJQANCHMSA-N -1 0 317.429 3.503 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1Cl)CC(=O)[O-] ZINC000088273688 949101600 /nfs/dbraw/zinc/10/16/00/949101600.db2.gz LQDFMLPVPHEONG-NSHDSACASA-N -1 0 312.797 3.599 20 0 DHADRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000079150144 1013092007 /nfs/dbraw/zinc/09/20/07/1013092007.db2.gz QYMIOUBZQCELEL-UHFFFAOYSA-N -1 0 323.458 3.876 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001589603176 949204175 /nfs/dbraw/zinc/20/41/75/949204175.db2.gz HZZSCCCTHYSVKL-LJQANCHMSA-N -1 0 315.413 3.671 20 0 DHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCCC(=O)[O-] ZINC001589614944 949354194 /nfs/dbraw/zinc/35/41/94/949354194.db2.gz CKKVNDYHAITTQJ-IBGZPJMESA-N -1 0 317.429 3.645 20 0 DHADRM O=C([O-])c1ccc(F)c(Oc2cnc3cc(F)c(F)cc3n2)c1 ZINC001595235773 949396941 /nfs/dbraw/zinc/39/69/41/949396941.db2.gz FKZHXPNPVHCBJA-UHFFFAOYSA-N -1 0 320.226 3.538 20 0 DHADRM CCc1oc2ccccc2c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000190894835 949501768 /nfs/dbraw/zinc/50/17/68/949501768.db2.gz TULUNDYRZCFLFS-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc(C(F)F)c(F)c2)c1 ZINC001595249444 949541205 /nfs/dbraw/zinc/54/12/05/949541205.db2.gz GJYOPULSDXMBNE-UHFFFAOYSA-N -1 0 309.243 3.714 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001589631752 949553123 /nfs/dbraw/zinc/55/31/23/949553123.db2.gz WJFZVWBQNXUURE-NUEKZKHPSA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001595254887 949580102 /nfs/dbraw/zinc/58/01/02/949580102.db2.gz HRMHLQGNEDENQZ-RRFJBIMHSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1ccccc1CNc1ncnc2cc(Cl)ccc21 ZINC001595255311 949594764 /nfs/dbraw/zinc/59/47/64/949594764.db2.gz NKKLEODRHMGZSU-UHFFFAOYSA-N -1 0 313.744 3.594 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589637489 949629004 /nfs/dbraw/zinc/62/90/04/949629004.db2.gz IXUNDMSIVWAXQN-VNQPRFMTSA-N -1 0 309.450 3.600 20 0 DHADRM CCCCC1CCC(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589639763 949670805 /nfs/dbraw/zinc/67/08/05/949670805.db2.gz KONUNSPUMNKFOD-JMLCCBQJSA-N -1 0 307.434 3.663 20 0 DHADRM CCCCC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(C)(C)C ZINC001589641805 949697701 /nfs/dbraw/zinc/69/77/01/949697701.db2.gz BGJZMORUVQMFAX-ZIAGYGMSSA-N -1 0 314.470 3.637 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC001602815071 971613095 /nfs/dbraw/zinc/61/30/95/971613095.db2.gz VMXLZFXQNBEMFB-HSBZDZAISA-N -1 0 309.450 3.693 20 0 DHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237542137 949966335 /nfs/dbraw/zinc/96/63/35/949966335.db2.gz SMMYHQHYBWWASC-LLVKDONJSA-N -1 0 309.321 3.622 20 0 DHADRM CCCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1C(C)C ZINC001589681560 950052693 /nfs/dbraw/zinc/05/26/93/950052693.db2.gz SUOWHNRMGIAAOT-XIKOKIGWSA-N -1 0 319.401 3.648 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001589691265 950111891 /nfs/dbraw/zinc/11/18/91/950111891.db2.gz HHYDUDLYJSPSLC-HNNXBMFYSA-N -1 0 305.418 3.648 20 0 DHADRM O=Cc1cc(Cl)c(F)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001595295528 950125404 /nfs/dbraw/zinc/12/54/04/950125404.db2.gz RBDUYJRRCYYPRG-UHFFFAOYSA-N -1 0 308.692 3.569 20 0 DHADRM Cc1cc(C)cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000315049496 950834865 /nfs/dbraw/zinc/83/48/65/950834865.db2.gz MACLJGUUAWVPNX-OAHLLOKOSA-N -1 0 304.390 3.555 20 0 DHADRM O=C([O-])CC1(C(=O)Nc2nc3c(cccc3Cl)s2)CCC1 ZINC001594977408 950938945 /nfs/dbraw/zinc/93/89/45/950938945.db2.gz YNEOXDOJBSQCAV-UHFFFAOYSA-N -1 0 324.789 3.533 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001602854624 971705505 /nfs/dbraw/zinc/70/55/05/971705505.db2.gz QETHGIMYFJWBDT-FHSNZYRGSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C(C1CCC1)C1CCC1)C(=O)[O-] ZINC001602859229 971708300 /nfs/dbraw/zinc/70/83/00/971708300.db2.gz BQYNNRXRQURJTN-AWEZNQCLSA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001602859362 971709809 /nfs/dbraw/zinc/70/98/09/971709809.db2.gz ICYWGRZHFIQCQA-GDBMZVCRSA-N -1 0 317.429 3.502 20 0 DHADRM Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000322412577 951030083 /nfs/dbraw/zinc/03/00/83/951030083.db2.gz ZPIZUBLMHIPTQD-MRXNPFEDSA-N -1 0 309.365 3.522 20 0 DHADRM O=C([O-])CCCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC001595029015 951363598 /nfs/dbraw/zinc/36/35/98/951363598.db2.gz PXIFFIMBDPJRBA-UHFFFAOYSA-N -1 0 324.789 3.657 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1nc2c(cccc2Cl)s1 ZINC001595034943 951395947 /nfs/dbraw/zinc/39/59/47/951395947.db2.gz RTFCBEMXCKJBGP-UHFFFAOYSA-N -1 0 312.778 3.533 20 0 DHADRM O=C([O-])CCc1cccc(NCc2cc(O)cc(Cl)c2)c1 ZINC001595066300 951549426 /nfs/dbraw/zinc/54/94/26/951549426.db2.gz HOFCBUSPXBCLFP-UHFFFAOYSA-N -1 0 305.761 3.675 20 0 DHADRM O=C([O-])Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 ZINC001595130833 952033333 /nfs/dbraw/zinc/03/33/33/952033333.db2.gz SPHMJKAQMWKCCP-UHFFFAOYSA-N -1 0 314.728 3.703 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCCC2(CCCC2)C1 ZINC001595136432 952056620 /nfs/dbraw/zinc/05/66/20/952056620.db2.gz RRSMRBBEPMZJPH-UHFFFAOYSA-N -1 0 316.401 3.502 20 0 DHADRM COc1cc(C)c(NS(=O)(=O)c2cccc(F)c2)c(C)c1C ZINC000517996008 1013112655 /nfs/dbraw/zinc/11/26/55/1013112655.db2.gz GORROOMYDYAWBE-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM CCSCc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001593597958 953384680 /nfs/dbraw/zinc/38/46/80/953384680.db2.gz YQPPAMMOLARMJM-AWEZNQCLSA-N -1 0 324.446 3.561 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001593613023 953471617 /nfs/dbraw/zinc/47/16/17/953471617.db2.gz JPTBZUNWQNLYEE-LRDDRELGSA-N -1 0 303.402 3.573 20 0 DHADRM CC[C@H](C)[C@H](Nc1ncnc2ccc(C(C)C)cc21)C(=O)[O-] ZINC001593614731 953492868 /nfs/dbraw/zinc/49/28/68/953492868.db2.gz GWHSPLMQEKZDLX-NHYWBVRUSA-N -1 0 301.390 3.664 20 0 DHADRM C[C@@H]1C[C@H](CCNC(=O)C2(CC(=O)[O-])CCC2)CC(C)(C)C1 ZINC001589286386 953576795 /nfs/dbraw/zinc/57/67/95/953576795.db2.gz UYUHAFFPDYSMCQ-KGLIPLIRSA-N -1 0 309.450 3.600 20 0 DHADRM CCc1ccc(CN(C)C(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001593637974 953624386 /nfs/dbraw/zinc/62/43/86/953624386.db2.gz ZZVZUSUIBLLVCX-UHFFFAOYSA-N -1 0 317.429 3.633 20 0 DHADRM Cc1ccc(-c2csc(CN3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000568055113 953641506 /nfs/dbraw/zinc/64/15/06/953641506.db2.gz KIXMKDPACSHSBG-HNNXBMFYSA-N -1 0 316.426 3.558 20 0 DHADRM CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cc(C)ccc1C ZINC000626766973 953816301 /nfs/dbraw/zinc/81/63/01/953816301.db2.gz 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CC(C)CCC1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001603021628 972081361 /nfs/dbraw/zinc/08/13/61/972081361.db2.gz SEOQQMHQYGXEKA-INIZCTEOSA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000746334776 955262105 /nfs/dbraw/zinc/26/21/05/955262105.db2.gz GLZKJYOZHRKKPX-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000386825737 972083097 /nfs/dbraw/zinc/08/30/97/972083097.db2.gz SQHOUEYSXPGFHZ-VURMDHGXSA-N -1 0 319.719 3.829 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000769527519 955321766 /nfs/dbraw/zinc/32/17/66/955321766.db2.gz NFTBDIVMUXIVOP-KGLIPLIRSA-N -1 0 303.402 3.527 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013113 955398963 /nfs/dbraw/zinc/39/89/63/955398963.db2.gz PSDBNQWQNMULNR-BLLLJJGKSA-N -1 0 321.392 3.674 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589014264 955418138 /nfs/dbraw/zinc/41/81/38/955418138.db2.gz 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O=C([O-])c1cc(NC(=O)CC(C2CCC2)C2CCC2)ccc1O ZINC001594675721 956660629 /nfs/dbraw/zinc/66/06/29/956660629.db2.gz DAQQMWNKOSMBRE-UHFFFAOYSA-N -1 0 317.385 3.635 20 0 DHADRM C[C@H](CN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1)C1CCCCC1 ZINC000902193251 956682578 /nfs/dbraw/zinc/68/25/78/956682578.db2.gz SCYUTVUXRNDEFN-LJTDUEICSA-N -1 0 319.401 3.666 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCCCc2cc(Cl)ccc21 ZINC001589212635 956705861 /nfs/dbraw/zinc/70/58/61/956705861.db2.gz KAYXMRCVPULUKP-KRWDZBQOSA-N -1 0 321.804 3.510 20 0 DHADRM CC1(C)CC(CNC(=O)C2(CC(=O)[O-])CCC2)CC(C)(C)C1 ZINC001589213774 956720115 /nfs/dbraw/zinc/72/01/15/956720115.db2.gz LHJHESZYVOOWFT-UHFFFAOYSA-N -1 0 309.450 3.600 20 0 DHADRM O=C([O-])c1cccnc1NC(=O)CCc1cccc2ccccc21 ZINC001594689519 956738180 /nfs/dbraw/zinc/73/81/80/956738180.db2.gz UVVYGTQHODKYJG-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1cc(Cl)ccc1Cl ZINC001589220294 956766645 /nfs/dbraw/zinc/76/66/45/956766645.db2.gz 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/nfs/dbraw/zinc/07/93/45/957079345.db2.gz BHSBUEGLSMLHTI-UHFFFAOYSA-N -1 0 318.394 3.702 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccccc2)s1 ZINC000020333336 957137648 /nfs/dbraw/zinc/13/76/48/957137648.db2.gz BGQVZMDWGDIAIZ-CMDGGOBGSA-N -1 0 301.367 3.661 20 0 DHADRM Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(C(=O)[O-])c1 ZINC000020547350 957143888 /nfs/dbraw/zinc/14/38/88/957143888.db2.gz NZQYCWDXSIBCPW-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1sc(NC(=O)Cc2ccccc2Cl)c(C(=O)[O-])c1C ZINC000021502760 957149964 /nfs/dbraw/zinc/14/99/64/957149964.db2.gz IPHCXXBLYPRLAT-UHFFFAOYSA-N -1 0 323.801 3.898 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000033454926 957183972 /nfs/dbraw/zinc/18/39/72/957183972.db2.gz LMSHHWMWZANXCU-SUMWQHHRSA-N -1 0 311.381 3.583 20 0 DHADRM CCCc1sc(C(=O)N[C@](C)(CCC)C(=O)[O-])cc1CC ZINC000036337875 957231015 /nfs/dbraw/zinc/23/10/15/957231015.db2.gz LRHAMJOAHVNATH-MRXNPFEDSA-N -1 0 311.447 3.636 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCCc2cccs2)ccc1F ZINC000037402384 957274693 /nfs/dbraw/zinc/27/46/93/957274693.db2.gz RERPQCYMZDPMAS-UHFFFAOYSA-N -1 0 307.346 3.547 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2c(F)cccc2Cl)ccc1F ZINC000037402678 957275354 /nfs/dbraw/zinc/27/53/54/957275354.db2.gz JIOGQONZMSJJOW-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2cc(F)cc(F)c2)ccc1Cl ZINC000037403862 957276245 /nfs/dbraw/zinc/27/62/45/957276245.db2.gz ZCXKUMSLVPAREZ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM Cc1ccc(CCC(=O)Nc2sccc2C(=O)[O-])cc1Cl ZINC000037450607 957293524 /nfs/dbraw/zinc/29/35/24/957293524.db2.gz NIFDTLSIKRIWPW-UHFFFAOYSA-N -1 0 323.801 3.979 20 0 DHADRM O=C([O-])c1sccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000037451980 957298281 /nfs/dbraw/zinc/29/82/81/957298281.db2.gz PDPMITFHEMZGJO-UHFFFAOYSA-N -1 0 317.700 3.630 20 0 DHADRM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1Cl ZINC000037526968 957307453 /nfs/dbraw/zinc/30/74/53/957307453.db2.gz FBRAVUMLXMHKPS-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1cccs1 ZINC000040576889 957377058 /nfs/dbraw/zinc/37/70/58/957377058.db2.gz KXJFWJCEEFGXIQ-QMMMGPOBSA-N -1 0 324.789 3.982 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000049147615 957474771 /nfs/dbraw/zinc/47/47/71/957474771.db2.gz KGAKTBHEJRAHNQ-MRVPVSSYSA-N -1 0 324.789 3.982 20 0 DHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049724755 957479511 /nfs/dbraw/zinc/47/95/11/957479511.db2.gz XJVLDDYMOJPWNS-JTQLQIEISA-N -1 0 304.371 3.671 20 0 DHADRM CC(C)c1ccc([C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603174853 972273451 /nfs/dbraw/zinc/27/34/51/972273451.db2.gz ASCUFQFPPNCMSH-BBRMVZONSA-N -1 0 320.433 3.527 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccsc1 ZINC000061370727 957580598 /nfs/dbraw/zinc/58/05/98/957580598.db2.gz AUKXUSOWIWKDKM-MRVPVSSYSA-N -1 0 324.789 3.982 20 0 DHADRM C[C@@H]1c2ccsc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC000062753660 957608389 /nfs/dbraw/zinc/60/83/89/957608389.db2.gz LTLQCXGKOOADGF-SNVBAGLBSA-N -1 0 305.374 3.705 20 0 DHADRM O=C([O-])c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000066144145 957641913 /nfs/dbraw/zinc/64/19/13/957641913.db2.gz PQVVEZPDFYPCII-UHFFFAOYSA-N -1 0 311.120 3.911 20 0 DHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000069235527 957651257 /nfs/dbraw/zinc/65/12/57/957651257.db2.gz HIFCRKATPLEJNU-JTQLQIEISA-N -1 0 312.797 3.984 20 0 DHADRM Cc1ccc(C[C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)s1 ZINC000080247628 957763767 /nfs/dbraw/zinc/76/37/67/957763767.db2.gz QYCWAWHGZPLTDA-MRVPVSSYSA-N -1 0 310.806 3.846 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2cc(F)c(C)cc2F)c1 ZINC001594289560 957817201 /nfs/dbraw/zinc/81/72/01/957817201.db2.gz WEKCIXBSSYITGR-UHFFFAOYSA-N -1 0 320.291 3.637 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001594294896 957868999 /nfs/dbraw/zinc/86/89/99/957868999.db2.gz MLIICVABXQRFGS-AWEZNQCLSA-N -1 0 303.402 3.516 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC001574809477 957869919 /nfs/dbraw/zinc/86/99/19/957869919.db2.gz PERGWDZVCFBKNK-KRWDZBQOSA-N -1 0 324.380 3.624 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001574819767 957902130 /nfs/dbraw/zinc/90/21/30/957902130.db2.gz DIHIQZVBVFFOCL-NEPJUHHUSA-N -1 0 319.357 3.718 20 0 DHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(C3CCCC3)cc2)c1 ZINC001574820544 957908255 /nfs/dbraw/zinc/90/82/55/957908255.db2.gz RXNPEFSNNDEPQG-UHFFFAOYSA-N -1 0 310.353 3.690 20 0 DHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cncc(O)c2)cc1 ZINC000339955036 1013164024 /nfs/dbraw/zinc/16/40/24/1013164024.db2.gz IUTOTDUWNXZHDE-KDOFPFPSSA-N -1 0 310.397 3.709 20 0 DHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603207604 972318485 /nfs/dbraw/zinc/31/84/85/972318485.db2.gz ZTJORWNVRRMZEJ-NSHDSACASA-N -1 0 318.398 3.541 20 0 DHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C2CC2)c1 ZINC001603215688 972328994 /nfs/dbraw/zinc/32/89/94/972328994.db2.gz KEAMXBMGDNMQDO-BFUOFWGJSA-N -1 0 313.397 3.552 20 0 DHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C2CC2)c1 ZINC001603215690 972329159 /nfs/dbraw/zinc/32/91/59/972329159.db2.gz KEAMXBMGDNMQDO-DJJJIMSYSA-N -1 0 313.397 3.552 20 0 DHADRM Cc1cc2ccccc2nc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594332326 958238509 /nfs/dbraw/zinc/23/85/09/958238509.db2.gz RKHFHLKSUQRLJW-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1ccc(Cl)cc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001594362946 958468986 /nfs/dbraw/zinc/46/89/86/958468986.db2.gz BZQJKYJGFNLVIO-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1cc(F)ccc1F ZINC000120187000 958469179 /nfs/dbraw/zinc/46/91/79/958469179.db2.gz HZWQTCYKOLUGAO-UHFFFAOYSA-N -1 0 319.307 3.543 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1OC(C)C ZINC001594369399 958532407 /nfs/dbraw/zinc/53/24/07/958532407.db2.gz OADDSGTUFJTXPS-MRXNPFEDSA-N -1 0 319.401 3.612 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC001594372799 958552137 /nfs/dbraw/zinc/55/21/37/958552137.db2.gz HEONFZKUBXDAFS-DTWKUNHWSA-N -1 0 316.184 3.741 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c2)c1 ZINC001594386097 958670195 /nfs/dbraw/zinc/67/01/95/958670195.db2.gz RQUOAYGEMFGDRU-MSOLQXFVSA-N -1 0 323.392 3.645 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CC(C)(C)C(F)(F)F ZINC001594387868 958691766 /nfs/dbraw/zinc/69/17/66/958691766.db2.gz LRVVHMWXTZHFPE-UHFFFAOYSA-N -1 0 303.280 3.610 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)CSC(F)(F)F ZINC001594388208 958693420 /nfs/dbraw/zinc/69/34/20/958693420.db2.gz QPTRVCCWIJYMPM-QMMMGPOBSA-N -1 0 321.320 3.521 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001573407649 958744848 /nfs/dbraw/zinc/74/48/48/958744848.db2.gz XQQNZNAEPMLHOD-AWEZNQCLSA-N -1 0 317.429 3.602 20 0 DHADRM Cc1cccc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC001594398394 958801629 /nfs/dbraw/zinc/80/16/29/958801629.db2.gz WIHWLJHFAWLECV-KRWDZBQOSA-N -1 0 322.364 3.566 20 0 DHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H](C(=O)[O-])C(C)C ZINC001594400716 958854417 /nfs/dbraw/zinc/85/44/17/958854417.db2.gz OVUSDFWHOSQDBN-QGZVFWFLSA-N -1 0 319.445 3.645 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594403381 958868925 /nfs/dbraw/zinc/86/89/25/958868925.db2.gz CBVDIYPKOGRRMC-SOFGYWHQSA-N -1 0 320.728 3.696 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)c1cccc(C(=O)[O-])c1 ZINC001594403536 958871860 /nfs/dbraw/zinc/87/18/60/958871860.db2.gz HKPKAVYJYABNFD-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM Cc1cccc(F)c1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594405141 958897825 /nfs/dbraw/zinc/89/78/25/958897825.db2.gz VWLANTNHADWVEL-GFCCVEGCSA-N -1 0 310.369 3.535 20 0 DHADRM Cc1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1Cl ZINC001594407792 958912808 /nfs/dbraw/zinc/91/28/08/958912808.db2.gz QDCIBCFEZWDCDG-AATRIKPKSA-N -1 0 305.717 3.592 20 0 DHADRM Cc1cccc(Nc2nnc(S[C@@H](C(=O)[O-])C3CC3)s2)c1 ZINC001594408922 958929980 /nfs/dbraw/zinc/92/99/80/958929980.db2.gz UJNDZVALHSLMAO-LLVKDONJSA-N -1 0 321.427 3.545 20 0 DHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594411167 958949198 /nfs/dbraw/zinc/94/91/98/958949198.db2.gz KPOQWNGLYIOMAY-OFQRWUPVSA-N -1 0 317.429 3.591 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594415470 958994112 /nfs/dbraw/zinc/99/41/12/958994112.db2.gz GHXJKQAVQRUKTO-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM Cc1ccccc1C1(CNC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001594416470 959007786 /nfs/dbraw/zinc/00/77/86/959007786.db2.gz DGHOFEZUPKQNBJ-UHFFFAOYSA-N -1 0 324.380 3.547 20 0 DHADRM CS[C@@H](C)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594180700 959081699 /nfs/dbraw/zinc/08/16/99/959081699.db2.gz DTPZTTIIKXJQOZ-ZETCQYMHSA-N -1 0 319.785 3.648 20 0 DHADRM CC(C)CC(CC(C)C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573509876 959088914 /nfs/dbraw/zinc/08/89/14/959088914.db2.gz UGLWDABOAFBGNY-VURMDHGXSA-N -1 0 307.390 3.568 20 0 DHADRM CSc1cc(C)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001594189289 959153792 /nfs/dbraw/zinc/15/37/92/959153792.db2.gz BQLBCDCUEAADDC-UHFFFAOYSA-N -1 0 315.394 3.596 20 0 DHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-] ZINC001573529703 959159700 /nfs/dbraw/zinc/15/97/00/959159700.db2.gz XWASWZSKUWZZNV-CQSZACIVSA-N -1 0 311.809 3.693 20 0 DHADRM Cc1coc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc12 ZINC001594435544 959224687 /nfs/dbraw/zinc/22/46/87/959224687.db2.gz GSOJVORIPCCZHY-DAXSKMNVSA-N -1 0 311.293 3.684 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573554085 959244134 /nfs/dbraw/zinc/24/41/34/959244134.db2.gz WFEQTWOLNFAOKE-NWDGAFQWSA-N -1 0 307.415 3.627 20 0 DHADRM C[C@@H](OC(=O)CCCCC(=O)[O-])c1cccc(Cl)c1F ZINC001594210282 959282717 /nfs/dbraw/zinc/28/27/17/959282717.db2.gz FKQBETAPYYTZIC-SECBINFHSA-N -1 0 302.729 3.728 20 0 DHADRM CC(C)c1cccc2c1CCN(C(=O)c1ccc(C(=O)[O-])cc1)C2 ZINC001573565044 959283990 /nfs/dbraw/zinc/28/39/90/959283990.db2.gz QUQJRFTWDZPJDT-UHFFFAOYSA-N -1 0 323.392 3.707 20 0 DHADRM CC(C)c1cccc(N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001573565095 959284414 /nfs/dbraw/zinc/28/44/14/959284414.db2.gz SVVKXOMXTPOWSN-UHFFFAOYSA-N -1 0 313.357 3.572 20 0 DHADRM CC(C)c1ccccc1N(C)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573565327 959285015 /nfs/dbraw/zinc/28/50/15/959285015.db2.gz VGYHGUGRWFKLPA-MRXNPFEDSA-N -1 0 303.402 3.664 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)NCCCCCC(=O)[O-])C1 ZINC001594212729 959304431 /nfs/dbraw/zinc/30/44/31/959304431.db2.gz VTAOLKBICGTXQL-CXAGYDPISA-N -1 0 312.454 3.536 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1SCc1ccccc1 ZINC001588585816 959309255 /nfs/dbraw/zinc/30/92/55/959309255.db2.gz PTWIIIPPWPYXCG-LBPRGKRZSA-N -1 0 315.394 3.638 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(Cl)c2occc21 ZINC001594215334 959322785 /nfs/dbraw/zinc/32/27/85/959322785.db2.gz KSTRAJDOUDDOJO-NOZJJQNGSA-N -1 0 321.760 3.554 20 0 DHADRM C[C@@H]1C[C@@H](OC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594220862 959372249 /nfs/dbraw/zinc/37/22/49/959372249.db2.gz BLVADGBUAWKVOW-IUODEOHRSA-N -1 0 320.385 3.522 20 0 DHADRM CN(Cc1csc2ccccc12)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190619077 959514941 /nfs/dbraw/zinc/51/49/41/959514941.db2.gz LBOVTISUEQAFPE-UHFFFAOYSA-N -1 0 319.426 3.751 20 0 DHADRM CCC[C@H](CCc1ccccc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190656316 959516724 /nfs/dbraw/zinc/51/67/24/959516724.db2.gz UCSDNOLGXSZPQS-MRXNPFEDSA-N -1 0 319.445 3.795 20 0 DHADRM CCC(CC)(CNC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000191120125 959541812 /nfs/dbraw/zinc/54/18/12/959541812.db2.gz HXHSPVNZACSSAC-UHFFFAOYSA-N -1 0 311.809 3.578 20 0 DHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191136531 959541849 /nfs/dbraw/zinc/54/18/49/959541849.db2.gz GEDFVUXTLKZLBV-INIZCTEOSA-N -1 0 319.445 3.747 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1F ZINC000191385375 959554630 /nfs/dbraw/zinc/55/46/30/959554630.db2.gz SYKRWBRYTMTDQO-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000191365601 959555330 /nfs/dbraw/zinc/55/53/30/959555330.db2.gz BCECAFWTIMDASI-UHFFFAOYSA-N -1 0 319.382 3.876 20 0 DHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)c1nc(CC(=O)[O-])no1 ZINC001594244474 959556327 /nfs/dbraw/zinc/55/63/27/959556327.db2.gz VYRBMBRQIARZGA-LBPRGKRZSA-N -1 0 324.336 3.504 20 0 DHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000192968384 959600618 /nfs/dbraw/zinc/60/06/18/959600618.db2.gz VRQWTVJIKIZUOE-SWLSCSKDSA-N -1 0 321.392 3.626 20 0 DHADRM CC(C)(NC(=O)c1cc2sc3ccccc3c2s1)C(=O)[O-] ZINC000195210360 959622704 /nfs/dbraw/zinc/62/27/04/959622704.db2.gz SPKNDLJBLCKAIZ-UHFFFAOYSA-N -1 0 319.407 3.709 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCCC2(CCCCC2)C1 ZINC001573655566 959668101 /nfs/dbraw/zinc/66/81/01/959668101.db2.gz GLKRBHILFUXULP-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC001588642545 959704289 /nfs/dbraw/zinc/70/42/89/959704289.db2.gz GGMIZMIQWJYEIB-RRFJBIMHSA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)(C)/C=C\C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588642899 959708504 /nfs/dbraw/zinc/70/85/04/959708504.db2.gz QSWUUYKEGKNNQM-BMSUMIBZSA-N -1 0 315.413 3.659 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-] ZINC001588647039 959744111 /nfs/dbraw/zinc/74/41/11/959744111.db2.gz BDNMVWSPLDYMPY-GFCCVEGCSA-N -1 0 323.458 3.636 20 0 DHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000223859203 959843945 /nfs/dbraw/zinc/84/39/45/959843945.db2.gz HJLNETDZEBLIBU-ZETCQYMHSA-N -1 0 322.213 3.524 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000659235842 1013195029 /nfs/dbraw/zinc/19/50/29/1013195029.db2.gz DMSFJOGGSVWTOJ-AZOIQLNYSA-N -1 0 317.429 3.502 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001574257577 960545517 /nfs/dbraw/zinc/54/55/17/960545517.db2.gz QIRWHGKTPAECIR-GQCTYLIASA-N -1 0 317.366 3.660 20 0 DHADRM CC/C(=C\C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001573758214 960581969 /nfs/dbraw/zinc/58/19/69/960581969.db2.gz HBQCKDAWNHXTGG-UNNWNWIUSA-N -1 0 321.804 3.503 20 0 DHADRM C[C@@H](Sc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001603284226 972518133 /nfs/dbraw/zinc/51/81/33/972518133.db2.gz CPQXSBNNEKQEMB-RXMQYKEDSA-N -1 0 318.217 3.624 20 0 DHADRM CC[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001573760233 960610722 /nfs/dbraw/zinc/61/07/22/960610722.db2.gz WSWNVWQFBNROHM-YIZWMMSDSA-N -1 0 304.390 3.571 20 0 DHADRM CC(C)n1c2ccccc2nc1-c1ccc(OCC(=O)[O-])cc1 ZINC001250736371 960639441 /nfs/dbraw/zinc/63/94/41/960639441.db2.gz RCEFPRQRAGBTIW-UHFFFAOYSA-N -1 0 310.353 3.748 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001573775777 960671854 /nfs/dbraw/zinc/67/18/54/960671854.db2.gz BJXSXARCMQEQIL-HOCLYGCPSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(C(C)(C)C)s1 ZINC001573778335 960713785 /nfs/dbraw/zinc/71/37/85/960713785.db2.gz YAOUAQPXCXHSDE-UHFFFAOYSA-N -1 0 311.447 3.553 20 0 DHADRM CC(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236623427 960716779 /nfs/dbraw/zinc/71/67/79/960716779.db2.gz ARBZUMINQKJJJV-UHFFFAOYSA-N -1 0 311.381 3.780 20 0 DHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236669609 960727495 /nfs/dbraw/zinc/72/74/95/960727495.db2.gz VQYSLPBKYKSIRU-KRWDZBQOSA-N -1 0 311.381 3.554 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC000236744633 960749008 /nfs/dbraw/zinc/74/90/08/960749008.db2.gz IHHMUBUBNSCCDP-BXUZGUMPSA-N -1 0 305.349 3.701 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236763507 960753419 /nfs/dbraw/zinc/75/34/19/960753419.db2.gz JBNXWKHLWGNPSH-UHFFFAOYSA-N -1 0 317.385 3.623 20 0 DHADRM Cc1c(C(=O)N(C)C(C)(C)CC(=O)[O-])oc2c1c(C)ccc2C ZINC001261762903 960757556 /nfs/dbraw/zinc/75/75/56/960757556.db2.gz KDGZXUBBGHZRRF-UHFFFAOYSA-N -1 0 317.385 3.683 20 0 DHADRM Cc1cccc2cc(C(=O)N(C)C(C)(C)CC(=O)[O-])sc21 ZINC001261762984 960759037 /nfs/dbraw/zinc/75/90/37/960759037.db2.gz NEZVWZRZAFJQHO-UHFFFAOYSA-N -1 0 305.399 3.535 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000236909067 960795861 /nfs/dbraw/zinc/79/58/61/960795861.db2.gz NPOJELUUKZJEJQ-KBPBESRZSA-N -1 0 313.397 3.655 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(Cl)c2F)c1 ZINC001574318257 960807109 /nfs/dbraw/zinc/80/71/09/960807109.db2.gz UPUYHLVHOURFMM-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(C(C)C)cs2)c1 ZINC001574319722 960819548 /nfs/dbraw/zinc/81/95/48/960819548.db2.gz VGZHYSYBPIBCKS-UHFFFAOYSA-N -1 0 304.371 3.525 20 0 DHADRM Cc1cc(C)cc([C@H](OC(=O)CCCC(=O)[O-])C(F)(F)F)c1 ZINC001574321686 960824281 /nfs/dbraw/zinc/82/42/81/960824281.db2.gz BWLNJKRCSLNMAO-AWEZNQCLSA-N -1 0 318.291 3.705 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC000236995972 960829958 /nfs/dbraw/zinc/82/99/58/960829958.db2.gz IEXQCNYEIFBYQR-ACJLOTCBSA-N -1 0 305.418 3.502 20 0 DHADRM Cc1cc(C)c(CC(=O)OCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001574322084 960831091 /nfs/dbraw/zinc/83/10/91/960831091.db2.gz MWFMJSIYJVFQIK-UHFFFAOYSA-N -1 0 312.365 3.596 20 0 DHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000237383418 960921714 /nfs/dbraw/zinc/92/17/14/960921714.db2.gz GJIOCQMTTPLQQI-GFCCVEGCSA-N -1 0 315.394 3.813 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000237375686 960922240 /nfs/dbraw/zinc/92/22/40/960922240.db2.gz JMUOQOLCRLEPBG-SNVBAGLBSA-N -1 0 301.367 3.600 20 0 DHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237416853 960930998 /nfs/dbraw/zinc/93/09/98/960930998.db2.gz HEEKYKIRBLFBIZ-GFCCVEGCSA-N -1 0 323.348 3.964 20 0 DHADRM CCn1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc2ccccc21 ZINC001319328612 960942416 /nfs/dbraw/zinc/94/24/16/960942416.db2.gz OIRDKVLGMVEPHJ-UHFFFAOYSA-N -1 0 322.364 3.920 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3C)c[nH]c2c1 ZINC001319418188 960949502 /nfs/dbraw/zinc/94/95/02/960949502.db2.gz ZIDNVIITDFQNMY-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM Cc1cc(NCc2cc3ccccc3[nH]c2=O)ccc1C(=O)[O-] ZINC001574343422 960952439 /nfs/dbraw/zinc/95/24/39/960952439.db2.gz VMRRDKKZBWRSOY-UHFFFAOYSA-N -1 0 308.337 3.559 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc2ccccc21 ZINC000237520838 960953155 /nfs/dbraw/zinc/95/31/55/960953155.db2.gz LLTPALXQEJDKOF-LLVKDONJSA-N -1 0 309.321 3.622 20 0 DHADRM CCC[C@H]1CCc2nc(NC(=O)CCCCC(=O)[O-])sc2C1 ZINC000655551481 1013216809 /nfs/dbraw/zinc/21/68/09/1013216809.db2.gz XEALTZYVGOZZJI-NSHDSACASA-N -1 0 324.446 3.632 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC001324184707 961030525 /nfs/dbraw/zinc/03/05/25/961030525.db2.gz YCRFDAADIDYXJE-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1)C(=O)[O-] ZINC001324625018 961038766 /nfs/dbraw/zinc/03/87/66/961038766.db2.gz PLWWGRDGZJEZNO-GFCCVEGCSA-N -1 0 315.413 3.715 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1 ZINC000237979484 961063732 /nfs/dbraw/zinc/06/37/32/961063732.db2.gz HBICWEQMNCPXHU-SFHVURJKSA-N -1 0 323.392 3.622 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCC2CCCCC2)C1 ZINC000237999958 961072275 /nfs/dbraw/zinc/07/22/75/961072275.db2.gz MEGNPCFKDITGGT-MRXNPFEDSA-N -1 0 309.450 3.840 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000238016845 961077201 /nfs/dbraw/zinc/07/72/01/961077201.db2.gz ZSJQSJOCPBDPJF-CQSZACIVSA-N -1 0 311.381 3.557 20 0 DHADRM CC(C)(CCNC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001326535802 961105605 /nfs/dbraw/zinc/10/56/05/961105605.db2.gz BTOMWSVZELOTLZ-UHFFFAOYSA-N -1 0 317.410 3.646 20 0 DHADRM CCCCOc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001573849177 961121180 /nfs/dbraw/zinc/12/11/80/961121180.db2.gz PPSNJOCQHUXKPK-INIZCTEOSA-N -1 0 319.401 3.695 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001588734743 961128575 /nfs/dbraw/zinc/12/85/75/961128575.db2.gz XKFOUGHUMQHSFI-GOSISDBHSA-N -1 0 317.385 3.614 20 0 DHADRM Cc1ccc2sc(C(=O)Nc3ccnc(C(=O)[O-])c3)cc2c1 ZINC001574384956 961129662 /nfs/dbraw/zinc/12/96/62/961129662.db2.gz VVPNOHGFHJVTTM-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC(C)(C)c1cccc(OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001588741962 961174669 /nfs/dbraw/zinc/17/46/69/961174669.db2.gz OUEPTGXHDWVBMS-SFHVURJKSA-N -1 0 302.370 3.701 20 0 DHADRM CCCOc1ccc(NC(=O)N[C@@H](CC)C(=O)[O-])cc1C(C)C ZINC001573862129 961176536 /nfs/dbraw/zinc/17/65/36/961176536.db2.gz LKHKDJGPLJFMGO-AWEZNQCLSA-N -1 0 322.405 3.584 20 0 DHADRM CCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573864275 961181637 /nfs/dbraw/zinc/18/16/37/961181637.db2.gz AFZKSRAAPLAYPW-QGZVFWFLSA-N -1 0 311.381 3.503 20 0 DHADRM CCCc1ccccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573866595 961192818 /nfs/dbraw/zinc/19/28/18/961192818.db2.gz BLRMIHMGWKLBIL-ROUUACIJSA-N -1 0 323.392 3.682 20 0 DHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1C ZINC001573874494 961232168 /nfs/dbraw/zinc/23/21/68/961232168.db2.gz QZCWGQWPPLOYDF-CZUORRHYSA-N -1 0 303.402 3.734 20 0 DHADRM Cc1ccsc1CCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001574411017 961283894 /nfs/dbraw/zinc/28/38/94/961283894.db2.gz IZDJGWWNKAWMEF-AWEZNQCLSA-N -1 0 323.458 3.625 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588812441 961528982 /nfs/dbraw/zinc/52/89/82/961528982.db2.gz FSBKWPJHUCELMV-CABZTGNLSA-N -1 0 318.291 3.666 20 0 DHADRM CCC[C@]1(C)CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000262217876 961563871 /nfs/dbraw/zinc/56/38/71/961563871.db2.gz UXEFLDFBZDQNKB-LJQANCHMSA-N -1 0 317.429 3.746 20 0 DHADRM C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262221770 961567224 /nfs/dbraw/zinc/56/72/24/961567224.db2.gz ZEQBYVVDNBJQOF-CHWSQXEVSA-N -1 0 323.820 3.547 20 0 DHADRM CC(C)[C@@H](CNC(=O)NC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC001588823262 961644204 /nfs/dbraw/zinc/64/42/04/961644204.db2.gz KRRNOOXZBHTIFK-OAHLLOKOSA-N -1 0 324.465 3.536 20 0 DHADRM CCc1ccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)nc1 ZINC001573956951 961676125 /nfs/dbraw/zinc/67/61/25/961676125.db2.gz RYBNIFOASDDVQU-INIZCTEOSA-N -1 0 324.424 3.688 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(c2ccccc2C)CC1 ZINC001334331805 961799777 /nfs/dbraw/zinc/79/97/77/961799777.db2.gz WSNOUJZVKILJTD-UHFFFAOYSA-N -1 0 315.394 3.733 20 0 DHADRM CN(C)c1cccc(Cl)c1CNc1cccc(CC(=O)[O-])c1 ZINC001573997561 961853243 /nfs/dbraw/zinc/85/32/43/961853243.db2.gz XCOFZEBEFAEERI-UHFFFAOYSA-N -1 0 318.804 3.645 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CCCc2c(F)cccc2F)c1 ZINC001574524570 961871827 /nfs/dbraw/zinc/87/18/27/961871827.db2.gz QVBWNXADIRCLEF-UHFFFAOYSA-N -1 0 319.307 3.624 20 0 DHADRM C[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccsc1 ZINC000262834394 961899035 /nfs/dbraw/zinc/89/90/35/961899035.db2.gz BWNNVSJKEGNFHN-MNOVXSKESA-N -1 0 303.383 3.678 20 0 DHADRM O=C([O-])[C@@H](NC(=O)/C(F)=C/C1CCCCC1)c1ccc(F)cc1 ZINC001574547536 961956384 /nfs/dbraw/zinc/95/63/84/961956384.db2.gz KUYHKZYKOTXECV-LTBFUDJGSA-N -1 0 323.339 3.501 20 0 DHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000262900187 961978223 /nfs/dbraw/zinc/97/82/23/961978223.db2.gz IBBAVJLGDFCSPO-AVGNSLFASA-N -1 0 315.369 3.501 20 0 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ZINC001588957562 962600529 /nfs/dbraw/zinc/60/05/29/962600529.db2.gz IYCQFGFCMMWBER-INIZCTEOSA-N -1 0 312.369 3.584 20 0 DHADRM CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263438451 962616470 /nfs/dbraw/zinc/61/64/70/962616470.db2.gz VIPYFSIEFFEFAP-LLVKDONJSA-N -1 0 313.850 3.747 20 0 DHADRM O=C([O-])CCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC001574697283 962665245 /nfs/dbraw/zinc/66/52/45/962665245.db2.gz BTTXCHUWXDOGBB-UHFFFAOYSA-N -1 0 310.655 3.519 20 0 DHADRM O=C([O-])CCCC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC001574697662 962670760 /nfs/dbraw/zinc/67/07/60/962670760.db2.gz XVMSNNJMSSVYML-UHFFFAOYSA-N -1 0 324.789 3.657 20 0 DHADRM O=C([O-])CCCCNC(=O)Nc1cccc(-c2ccccc2)c1 ZINC001574702000 962683446 /nfs/dbraw/zinc/68/34/46/962683446.db2.gz GMVNQOUGHSFROW-UHFFFAOYSA-N -1 0 312.369 3.730 20 0 DHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CC1 ZINC001588994327 962828529 /nfs/dbraw/zinc/82/85/29/962828529.db2.gz PBPPZIKCIHSKPG-VIFPVBQESA-N -1 0 307.415 3.700 20 0 DHADRM COc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1F ZINC000655553334 1013393034 /nfs/dbraw/zinc/39/30/34/1013393034.db2.gz IZZGWWPCQNQIFP-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001573381112 963111097 /nfs/dbraw/zinc/11/10/97/963111097.db2.gz DFSSGASGGCDYCB-JTQLQIEISA-N -1 0 320.291 3.510 20 0 DHADRM CC(C)CCOc1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000519554799 1013404945 /nfs/dbraw/zinc/40/49/45/1013404945.db2.gz NRSWSEYAKAKRMJ-ZDUSSCGKSA-N -1 0 307.390 3.551 20 0 DHADRM C=Cc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001209923374 1013426567 /nfs/dbraw/zinc/42/65/67/1013426567.db2.gz WUBYHHSTFDDOLM-UHFFFAOYSA-N -1 0 309.774 3.973 20 0 DHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc2ccccc2o1 ZINC000314926034 963830651 /nfs/dbraw/zinc/83/06/51/963830651.db2.gz IJAXTXJMRFSDKO-ZJUUUORDSA-N -1 0 316.382 3.999 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)s1 ZINC000120691074 1013488886 /nfs/dbraw/zinc/48/88/86/1013488886.db2.gz 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/nfs/dbraw/zinc/89/90/59/967899059.db2.gz NAQFSSGVANBHHL-MRXNPFEDSA-N -1 0 309.793 3.543 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000315850515 967976172 /nfs/dbraw/zinc/97/61/72/967976172.db2.gz HUHKYIJQLYPDMF-MLBQELRYSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683622522 1013765981 /nfs/dbraw/zinc/76/59/81/1013765981.db2.gz GBOZWDHVNHSZMV-YOEHRIQHSA-N -1 0 319.763 3.645 20 0 DHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683622516 1013766516 /nfs/dbraw/zinc/76/65/16/1013766516.db2.gz GBOZWDHVNHSZMV-PBHICJAKSA-N -1 0 319.763 3.645 20 0 DHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000387841747 968150570 /nfs/dbraw/zinc/15/05/70/968150570.db2.gz DKLVTKWEOACNFP-NSHDSACASA-N -1 0 317.307 3.699 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000619966917 968510376 /nfs/dbraw/zinc/51/03/76/968510376.db2.gz AECGHQQHWGSOPI-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000625970650 968513705 /nfs/dbraw/zinc/51/37/05/968513705.db2.gz WSSJJHCFZWTCKI-SCZZXKLOSA-N -1 0 320.191 3.675 20 0 DHADRM Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000647690323 968576045 /nfs/dbraw/zinc/57/60/45/968576045.db2.gz DCKQQESFXNODPQ-JQWIXIFHSA-N -1 0 324.808 3.531 20 0 DHADRM CC[C@H](CNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000649262165 968588084 /nfs/dbraw/zinc/58/80/84/968588084.db2.gz AENOHWCBTAVTLN-ZIAGYGMSSA-N -1 0 305.418 3.531 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000650290935 968597259 /nfs/dbraw/zinc/59/72/59/968597259.db2.gz ALJUBCUEDFKMBQ-UHFFFAOYSA-N -1 0 316.357 3.535 20 0 DHADRM CC1(C)CCC(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC000653326451 968660047 /nfs/dbraw/zinc/66/00/47/968660047.db2.gz BOCSLSCHQZXLGG-HZPDHXFCSA-N -1 0 315.413 3.632 20 0 DHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000668300444 968851918 /nfs/dbraw/zinc/85/19/18/968851918.db2.gz MZOJJUUOSDWQOP-RDTXWAMCSA-N -1 0 323.392 3.711 20 0 DHADRM C[C@H](NC(=O)CCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000683341809 968873961 /nfs/dbraw/zinc/87/39/61/968873961.db2.gz QDNVZTMQPNYEOQ-LBPRGKRZSA-N -1 0 315.344 3.535 20 0 DHADRM CC(C)c1cnc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000669472773 1013838901 /nfs/dbraw/zinc/83/89/01/1013838901.db2.gz UFKLGZMTZGSKBN-SNVBAGLBSA-N -1 0 310.444 3.634 20 0 DHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccccc2C(C)C)s1 ZINC000330977138 1013852370 /nfs/dbraw/zinc/85/23/70/1013852370.db2.gz PKAIHTCKKZNLPM-UHFFFAOYSA-N -1 0 310.444 3.684 20 0 DHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC000331134023 1013859392 /nfs/dbraw/zinc/85/93/92/1013859392.db2.gz UIEZWCCFJPCNBW-UHFFFAOYSA-N -1 0 324.471 3.938 20 0 DHADRM Cc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC000852945663 969294728 /nfs/dbraw/zinc/29/47/28/969294728.db2.gz HJUCYYRBFMYKJH-GFCCVEGCSA-N -1 0 309.431 3.659 20 0 DHADRM O=C([O-])c1ccc(CN[C@H]2c3ccccc3CC[C@H]2F)s1 ZINC000903694450 969589035 /nfs/dbraw/zinc/58/90/35/969589035.db2.gz WJHKPASCVLPZBR-HIFRSBDPSA-N -1 0 305.374 3.562 20 0 DHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000185908294 1013889139 /nfs/dbraw/zinc/88/91/39/1013889139.db2.gz WXTXXNPXUYVHKI-UWVGGRQHSA-N -1 0 315.335 3.754 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N(C)CCCC(=O)[O-] ZINC000908639565 969616657 /nfs/dbraw/zinc/61/66/57/969616657.db2.gz QUMABGCPSYMIHF-UHFFFAOYSA-N -1 0 311.381 3.599 20 0 DHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000188927743 1013903767 /nfs/dbraw/zinc/90/37/67/1013903767.db2.gz KNLVBPIBNLTCHA-UHFFFAOYSA-N -1 0 318.760 3.565 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)c1ccoc1CC(=O)[O-] ZINC000317100241 970327898 /nfs/dbraw/zinc/32/78/98/970327898.db2.gz CCXONNUINSUXSR-UHFFFAOYSA-N -1 0 301.342 3.591 20 0 DHADRM Cc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1Cl ZINC000317326098 970347987 /nfs/dbraw/zinc/34/79/87/970347987.db2.gz VJHPQIMOAYBQIA-GFCCVEGCSA-N -1 0 323.820 3.611 20 0 DHADRM CCCC(CCC)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000317467206 970361471 /nfs/dbraw/zinc/36/14/71/970361471.db2.gz YZNBMHZFMCLFQX-CQSZACIVSA-N -1 0 303.402 3.808 20 0 DHADRM Cc1oc(C)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000319832060 970577125 /nfs/dbraw/zinc/57/71/25/970577125.db2.gz RFCAAZODWLZXIH-OAHLLOKOSA-N -1 0 315.369 3.541 20 0 DHADRM COc1ccc(-c2cc(CCC(=O)[O-])ccc2OC)c(C)c1 ZINC000568108523 1014032536 /nfs/dbraw/zinc/03/25/36/1014032536.db2.gz CMRXRZOWZDYPBK-UHFFFAOYSA-N -1 0 300.354 3.696 20 0 DHADRM CSc1cc(C)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001604963109 972551071 /nfs/dbraw/zinc/55/10/71/972551071.db2.gz YWWWRGUOEBWSBR-GFCCVEGCSA-N -1 0 324.446 3.585 20 0 DHADRM CSc1ccc(Cl)c(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001604964907 972553939 /nfs/dbraw/zinc/55/39/39/972553939.db2.gz MYVRKWCNNFWAEI-CQSZACIVSA-N -1 0 313.806 3.501 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001605074646 972701289 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Cc1cc2c(ncnc2SCCC2(C(=O)[O-])CCC2)s1 ZINC001605223461 972971205 /nfs/dbraw/zinc/97/12/05/972971205.db2.gz BVRTVAFFVBPSSU-UHFFFAOYSA-N -1 0 308.428 3.737 20 0 DHADRM Cc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001605284562 973081646 /nfs/dbraw/zinc/08/16/46/973081646.db2.gz IQXJDKCXRCJBLJ-QZTJIDSGSA-N -1 0 323.392 3.639 20 0 DHADRM Cc1ccc(F)cc1[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001605284831 973085119 /nfs/dbraw/zinc/08/51/19/973085119.db2.gz RYPLHTPOKICEPR-YVEFUNNKSA-N -1 0 306.333 3.549 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)[C@@H]1C(=O)[O-] ZINC001603410006 973085801 /nfs/dbraw/zinc/08/58/01/973085801.db2.gz NIBSDVDZZGRCLD-GUYCJALGSA-N -1 0 313.397 3.579 20 0 DHADRM C[C@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)[C@H]1C(=O)[O-] ZINC001603410007 973087191 /nfs/dbraw/zinc/08/71/91/973087191.db2.gz NIBSDVDZZGRCLD-SUMWQHHRSA-N -1 0 313.397 3.579 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1C ZINC001605289195 973101139 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CC[C@H](CNC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC000656244092 975654950 /nfs/dbraw/zinc/65/49/50/975654950.db2.gz CMDNWGYUMRWJGG-GFCCVEGCSA-N -1 0 317.410 3.564 20 0 DHADRM CC(C)OCCCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001591722630 975663439 /nfs/dbraw/zinc/66/34/39/975663439.db2.gz DSRPBTCFPHQQIK-UHFFFAOYSA-N -1 0 323.336 3.706 20 0 DHADRM CC1(C)CC(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC(C)(C)C1 ZINC000659118915 975716211 /nfs/dbraw/zinc/71/62/11/975716211.db2.gz CNPHQCDVDIGVAY-CQSZACIVSA-N -1 0 321.461 3.552 20 0 DHADRM CC(C)OCc1nc(-c2c[nH]c3ccc(C(=O)[O-])cc32)cs1 ZINC001591734545 975717979 /nfs/dbraw/zinc/71/79/79/975717979.db2.gz MZIIZXQSIVBTDU-UHFFFAOYSA-N -1 0 316.382 3.915 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000659121003 975718890 /nfs/dbraw/zinc/71/88/90/975718890.db2.gz OSWXDPONPJIHOE-JHJVBQTASA-N -1 0 309.431 3.597 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000659129362 975728211 /nfs/dbraw/zinc/72/82/11/975728211.db2.gz 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976452133 /nfs/dbraw/zinc/45/21/33/976452133.db2.gz BDAQVIFXVHTIHL-UHFFFAOYSA-N -1 0 317.316 3.605 20 0 DHADRM CC(C)c1ccc(C(=O)CSc2nc(C(=O)[O-])cs2)cc1 ZINC001591943746 976483998 /nfs/dbraw/zinc/48/39/98/976483998.db2.gz RMOFYNRVASFIHX-UHFFFAOYSA-N -1 0 321.423 3.940 20 0 DHADRM CC(C)c1ccc(/C=C\CC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591948547 976500361 /nfs/dbraw/zinc/50/03/61/976500361.db2.gz ITTCGHXQVODNIG-HYXAFXHYSA-N -1 0 324.380 3.945 20 0 DHADRM CC(C)c1ccc([C@H]2CCCN2c2cc(C(=O)[O-])ncn2)cc1 ZINC001591949254 976505573 /nfs/dbraw/zinc/50/55/73/976505573.db2.gz RRHAMYYNIBJZDK-MRXNPFEDSA-N -1 0 311.385 3.640 20 0 DHADRM COc1ccc2nc(/C=C/c3cccc(O)c3)cc(C(=O)[O-])c2c1 ZINC000580746478 1014331527 /nfs/dbraw/zinc/33/15/27/1014331527.db2.gz PFFUGMCHJQHUKK-AATRIKPKSA-N -1 0 321.332 3.818 20 0 DHADRM CC(C)c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001591952684 976512453 /nfs/dbraw/zinc/51/24/53/976512453.db2.gz MPXABPSSJNGPKU-UHFFFAOYSA-N -1 0 317.429 3.598 20 0 DHADRM COc1ccc(C(=O)[O-])cc1NCc1cnc(C2CCC2)s1 ZINC000417569059 1014332080 /nfs/dbraw/zinc/33/20/80/1014332080.db2.gz CDEQGJWFVHMPNA-UHFFFAOYSA-N -1 0 318.398 3.730 20 0 DHADRM CC(C)c1ccc(CCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001591953369 976517860 /nfs/dbraw/zinc/51/78/60/976517860.db2.gz ZMAIYHLTDXGHHW-KRWDZBQOSA-N -1 0 317.429 3.598 20 0 DHADRM CC(C)c1ccc2c(c1)[C@H](Nc1cc(C(=O)[O-])ncn1)CCC2 ZINC001591980597 976593448 /nfs/dbraw/zinc/59/34/48/976593448.db2.gz HWTZIKJOYNIYTE-OAHLLOKOSA-N -1 0 311.385 3.788 20 0 DHADRM CC(C)c1cccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1N ZINC001591987320 976610969 /nfs/dbraw/zinc/61/09/69/976610969.db2.gz NGFTYECHQHKNMS-JTQLQIEISA-N -1 0 317.341 3.601 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@H]2CC=CCC2)sc1C(=O)[O-] ZINC001592021716 976716289 /nfs/dbraw/zinc/71/62/89/976716289.db2.gz HFGWOBAPVVJIRU-JTQLQIEISA-N -1 0 308.403 3.650 20 0 DHADRM CC(C)c1nc(NC(=O)C2(C)CCCCC2)sc1C(=O)[O-] ZINC001592022054 976718475 /nfs/dbraw/zinc/71/84/75/976718475.db2.gz LJEUYZKDRBLESX-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC(C)c1nc(NC(=O)CC2=CCCCC2)sc1C(=O)[O-] ZINC001592023095 976724758 /nfs/dbraw/zinc/72/47/58/976724758.db2.gz ZRVLSAPEHKYZCS-UHFFFAOYSA-N -1 0 308.403 3.794 20 0 DHADRM CC(C)c1nc2cc(NCc3ccc(C(=O)[O-])n3C)ccc2o1 ZINC001592031295 976740426 /nfs/dbraw/zinc/74/04/26/976740426.db2.gz AEINQNVHHBHARQ-UHFFFAOYSA-N -1 0 313.357 3.600 20 0 DHADRM CC(C)c1nsc(Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001592105802 976881111 /nfs/dbraw/zinc/88/11/11/976881111.db2.gz KQBZTNVTBJAITI-UHFFFAOYSA-N -1 0 321.402 3.649 20 0 DHADRM CC(C)c1sc(NC(=O)[C@H](F)c2ccccc2)nc1C(=O)[O-] ZINC001592108668 976895096 /nfs/dbraw/zinc/89/50/96/976895096.db2.gz TVVZKKZSDWTWMH-SNVBAGLBSA-N -1 0 322.361 3.614 20 0 DHADRM CC(C)c1sc(NC(=O)C2CCCCCC2)nc1C(=O)[O-] ZINC001592111725 976902055 /nfs/dbraw/zinc/90/20/55/976902055.db2.gz MKMDWRHADORRJA-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)nc1C(=O)[O-] ZINC001592112226 976905870 /nfs/dbraw/zinc/90/58/70/976905870.db2.gz YPNZLBUDEDZASI-HBNTYKKESA-N -1 0 324.446 3.976 20 0 DHADRM CC(C)n1c2ccccc2nc1NCc1ccc(C(=O)[O-])cc1 ZINC001592120957 976925149 /nfs/dbraw/zinc/92/51/49/976925149.db2.gz DIFRWIQHDSDDRR-UHFFFAOYSA-N -1 0 309.369 3.928 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)sc1Cl ZINC000231812593 1014359452 /nfs/dbraw/zinc/35/94/52/1014359452.db2.gz NWMLEEBKBVNEKM-UHFFFAOYSA-N -1 0 323.226 3.559 20 0 DHADRM CC(C)n1ccc(CSCc2ccc(C(=O)[O-])cc2F)n1 ZINC001592138449 976986418 /nfs/dbraw/zinc/98/64/18/976986418.db2.gz XXIMBGJJVKNRIW-UHFFFAOYSA-N -1 0 308.378 3.735 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592181827 977112915 /nfs/dbraw/zinc/11/29/15/977112915.db2.gz SDGIZLHPNJUCNG-SNVBAGLBSA-N -1 0 310.419 3.879 20 0 DHADRM C[C@H](C1CC1)n1cc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC001592181974 977114590 /nfs/dbraw/zinc/11/45/90/977114590.db2.gz UOCQFDFIBFZIHD-BMIGLBTASA-N -1 0 319.792 3.745 20 0 DHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592182307 977116527 /nfs/dbraw/zinc/11/65/27/977116527.db2.gz XOBKMJDTVCEYRW-ZDUSSCGKSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592182306 977116921 /nfs/dbraw/zinc/11/69/21/977116921.db2.gz XOBKMJDTVCEYRW-CYBMUJFWSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCCC1 ZINC001592240627 977456800 /nfs/dbraw/zinc/45/68/00/977456800.db2.gz YBRQESOZKVIOAE-ZSZQSSIHSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])C1CCCCC1 ZINC001592246549 977475861 /nfs/dbraw/zinc/47/58/61/977475861.db2.gz UWMHMVLJSPDGSW-QIIPPGSGSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C ZINC001592247057 977477500 /nfs/dbraw/zinc/47/75/00/977477500.db2.gz ZCMOSECBEGOUAO-FZKQIMNGSA-N -1 0 311.466 3.989 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)C1CCCCC1 ZINC001592261640 977503947 /nfs/dbraw/zinc/50/39/47/977503947.db2.gz FUPVOGBAQSTMPN-NSHDSACASA-N -1 0 305.374 3.635 20 0 DHADRM C[C@H](CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001592267527 977514507 /nfs/dbraw/zinc/51/45/07/977514507.db2.gz DLVYUNCYVVJMRP-GFCCVEGCSA-N -1 0 322.364 3.998 20 0 DHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccco1 ZINC001592274250 977547525 /nfs/dbraw/zinc/54/75/25/977547525.db2.gz MDDUGIYOJLSFHG-SECBINFHSA-N -1 0 307.733 3.764 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001592381993 977922321 /nfs/dbraw/zinc/92/23/21/977922321.db2.gz SVAZSFQLRXYCMT-XIRDDKMYSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC001592395038 977949686 /nfs/dbraw/zinc/94/96/86/977949686.db2.gz QIABMZIONFIUAK-ZDUSSCGKSA-N -1 0 312.369 3.870 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H]1CCCc2ccc(Cl)cc21 ZINC001592403058 977972355 /nfs/dbraw/zinc/97/23/55/977972355.db2.gz SWKBYRUOXBODCR-IINYFYTJSA-N -1 0 310.777 3.762 20 0 DHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccsc1)c1cccc(F)c1 ZINC001592423209 978039460 /nfs/dbraw/zinc/03/94/60/978039460.db2.gz BLQFULGULRAKEC-BMIGLBTASA-N -1 0 322.357 3.750 20 0 DHADRM C[C@H](CC(=O)[O-])c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1 ZINC001592424826 978047571 /nfs/dbraw/zinc/04/75/71/978047571.db2.gz XUOXCARZOLVKLO-GFCCVEGCSA-N -1 0 309.365 3.817 20 0 DHADRM C[C@@H](CC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001592430342 978063594 /nfs/dbraw/zinc/06/35/94/978063594.db2.gz YRPUNKQTZKVGGV-ZBEGNZNMSA-N -1 0 302.370 3.742 20 0 DHADRM C[C@@H](CC(=O)Oc1cc(Cl)ccc1C(=O)[O-])c1ccco1 ZINC001592433076 978064615 /nfs/dbraw/zinc/06/46/15/978064615.db2.gz BNBSGLIYEOMAFR-VIFPVBQESA-N -1 0 308.717 3.730 20 0 DHADRM C[C@@H](CC1CCCC1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592465673 978207682 /nfs/dbraw/zinc/20/76/82/978207682.db2.gz IWTRDNROIBUEMS-ZDUSSCGKSA-N -1 0 315.413 3.880 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001592465983 978210349 /nfs/dbraw/zinc/21/03/49/978210349.db2.gz RAQYORWYSNIYSE-CQSZACIVSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@@H](C(=O)[O-])[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000580936898 1014467346 /nfs/dbraw/zinc/46/73/46/1014467346.db2.gz YCPRIBXELYGVML-AOMKIAJQSA-N -1 0 316.422 3.778 20 0 DHADRM C[C@H](CCC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001592471345 978231488 /nfs/dbraw/zinc/23/14/88/978231488.db2.gz XZBWYOVLSGGEBR-IUDNXUCKSA-N -1 0 304.386 3.757 20 0 DHADRM CC[C@H](CC(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000736894537 978365047 /nfs/dbraw/zinc/36/50/47/978365047.db2.gz QSOZOKDWVMZPEP-CYBMUJFWSA-N -1 0 316.353 3.913 20 0 DHADRM CC[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000736940041 978367694 /nfs/dbraw/zinc/36/76/94/978367694.db2.gz QMAMZKXWBAMWDM-CYBMUJFWSA-N -1 0 320.389 3.578 20 0 DHADRM CCC/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736973284 978370252 /nfs/dbraw/zinc/37/02/52/978370252.db2.gz IKVYSGWJLSJHRQ-WAVCKPEOSA-N -1 0 317.429 3.972 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H](C)CCc2ccco2)cc1)C(=O)[O-] ZINC001592552360 978438977 /nfs/dbraw/zinc/43/89/77/978438977.db2.gz WTYRLCUOFSAPGB-KGLIPLIRSA-N -1 0 301.386 3.976 20 0 DHADRM COc1c(C(=O)[O-])sc(C)c1-c1cnc(SC)cc1C ZINC000580963843 1014492010 /nfs/dbraw/zinc/49/20/10/1014492010.db2.gz SVWRSNZRLRRTOR-UHFFFAOYSA-N -1 0 309.412 3.856 20 0 DHADRM Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)c(C(=O)[O-])c1 ZINC000738626975 978576427 /nfs/dbraw/zinc/57/64/27/978576427.db2.gz FNRVCJJQJZDSQT-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM CCCC[C@H](NC(=O)/C=C(/C)c1cccc(Cl)c1)C(=O)[O-] ZINC000753907740 978694623 /nfs/dbraw/zinc/69/46/23/978694623.db2.gz ZHWZZKWCNWVJIY-FPAJZGIOSA-N -1 0 309.793 3.503 20 0 DHADRM CCCC[C@@H](NC(=O)/C=C(/C)c1cccc(Cl)c1)C(=O)[O-] ZINC000753907742 978694807 /nfs/dbraw/zinc/69/48/07/978694807.db2.gz ZHWZZKWCNWVJIY-RBJHHQRMSA-N -1 0 309.793 3.503 20 0 DHADRM CC(C)(C)c1nc2ccc(NC(=O)CCCC(=O)[O-])cc2s1 ZINC000753968515 978695527 /nfs/dbraw/zinc/69/55/27/978695527.db2.gz VDHVDFXQNOORIK-UHFFFAOYSA-N -1 0 320.414 3.787 20 0 DHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)CCCC(=O)[O-])cc1 ZINC000753976639 978695958 /nfs/dbraw/zinc/69/59/58/978695958.db2.gz PWGCQAWGFRCCJZ-GFCCVEGCSA-N -1 0 309.431 3.619 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccc(Cl)cc1 ZINC000761649885 978713544 /nfs/dbraw/zinc/71/35/44/978713544.db2.gz JOEPDMAZRHHUKO-HGPCXVNDSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1oc(CN(C)C(=O)CCCCCC(C)C)cc1C(=O)[O-] ZINC000767092979 978734333 /nfs/dbraw/zinc/73/43/33/978734333.db2.gz HRSUVSNLTGXFDJ-UHFFFAOYSA-N -1 0 309.406 3.851 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813540 978856721 /nfs/dbraw/zinc/85/67/21/978856721.db2.gz BKVDIBYFGCFVBX-NSHDSACASA-N -1 0 317.772 3.871 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCCC2CCCC2)c1 ZINC000811816366 978860080 /nfs/dbraw/zinc/86/00/80/978860080.db2.gz VCRKIDPHSKTRRH-UHFFFAOYSA-N -1 0 309.793 3.738 20 0 DHADRM CC(C)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811816714 978860737 /nfs/dbraw/zinc/86/07/37/978860737.db2.gz FVZVTOUGDILHOW-LLVKDONJSA-N -1 0 309.793 3.546 20 0 DHADRM CC[C@H]1CCCCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821451 978865709 /nfs/dbraw/zinc/86/57/09/978865709.db2.gz GACRTCOXFBFAHF-LBPRGKRZSA-N -1 0 309.793 3.833 20 0 DHADRM CC(C)(CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC000828117154 978969480 /nfs/dbraw/zinc/96/94/80/978969480.db2.gz BVSVZYDTRZIUMO-UHFFFAOYSA-N -1 0 323.698 3.955 20 0 DHADRM CC(C)c1occc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000828158193 978971969 /nfs/dbraw/zinc/97/19/69/978971969.db2.gz LXGCFINOCHWOEK-UHFFFAOYSA-N -1 0 301.342 3.673 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)NCCCCCCCC(=O)[O-] ZINC000909462768 1014553189 /nfs/dbraw/zinc/55/31/89/1014553189.db2.gz IMLILJRQFYCYDR-HNNXBMFYSA-N -1 0 305.418 3.640 20 0 DHADRM CC[C@H](CC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001595033226 979174282 /nfs/dbraw/zinc/17/42/82/979174282.db2.gz FONJABYMYWEYBF-ZBFHGGJFSA-N -1 0 311.466 3.846 20 0 DHADRM C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000833386369 979176344 /nfs/dbraw/zinc/17/63/44/979176344.db2.gz OVQFYJMLMYPYJV-VMPITWQZSA-N -1 0 322.773 3.537 20 0 DHADRM CC[C@@H](CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)C(C)C ZINC001595036406 979194740 /nfs/dbraw/zinc/19/47/40/979194740.db2.gz DLHDLXFSFCPHNC-VIFPVBQESA-N -1 0 310.419 3.730 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595042371 979233158 /nfs/dbraw/zinc/23/31/58/979233158.db2.gz KSTOLGJDOOCJCM-SECBINFHSA-N -1 0 322.311 3.553 20 0 DHADRM CC[C@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001595042627 979236813 /nfs/dbraw/zinc/23/68/13/979236813.db2.gz QAFMRYMDQKRZCS-SSDOTTSWSA-N -1 0 305.708 3.658 20 0 DHADRM C[C@H](CNc1ncc(C(=O)[O-])cc1Cl)Cc1cccs1 ZINC001592729771 979245476 /nfs/dbraw/zinc/24/54/76/979245476.db2.gz QWHALFLYXZLNPH-VIFPVBQESA-N -1 0 310.806 3.785 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 ZINC000836725538 979249644 /nfs/dbraw/zinc/24/96/44/979249644.db2.gz YSNMCTXQUNTCSG-XDPMZMSMSA-N -1 0 311.397 3.524 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cscc1C(F)(F)F ZINC001595053837 979290704 /nfs/dbraw/zinc/29/07/04/979290704.db2.gz DAZSNIMTZVGBIW-UHFFFAOYSA-N -1 0 323.336 3.530 20 0 DHADRM CCC(CC)(CC)CNc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595057851 979303661 /nfs/dbraw/zinc/30/36/61/979303661.db2.gz OALJTCNMXQNELZ-UHFFFAOYSA-N -1 0 303.406 3.749 20 0 DHADRM CCC(CC)(CC)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595060347 979316425 /nfs/dbraw/zinc/31/64/25/979316425.db2.gz PMOCYPHATCDPCO-UHFFFAOYSA-N -1 0 318.373 3.815 20 0 DHADRM O=C([O-])COc1cccc(NC(=O)/C=C\C2CCCCCC2)c1 ZINC000846113832 979403821 /nfs/dbraw/zinc/40/38/21/979403821.db2.gz ADVRXJXNCPGHDF-KHPPLWFESA-N -1 0 317.385 3.615 20 0 DHADRM Cc1cc([C@H]2CCCN2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236350 979416959 /nfs/dbraw/zinc/41/69/59/979416959.db2.gz RFJCBTKTCQSSJC-OAHLLOKOSA-N -1 0 320.776 3.672 20 0 DHADRM Cc1cc([C@H](C)N2CCc3c(F)cccc3C2)oc1C(=O)[O-] ZINC000846245378 979422202 /nfs/dbraw/zinc/42/22/02/979422202.db2.gz DWXWYSVGFBIQFK-NSHDSACASA-N -1 0 303.333 3.545 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595105453 979423450 /nfs/dbraw/zinc/42/34/50/979423450.db2.gz NUFZZLLXKIQATI-GFCCVEGCSA-N -1 0 309.381 3.706 20 0 DHADRM CCC(CC)CC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595109460 979441824 /nfs/dbraw/zinc/44/18/24/979441824.db2.gz BNAXHWIYCQKUNG-INIZCTEOSA-N -1 0 305.418 3.877 20 0 DHADRM CCC(CC)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595109452 979441929 /nfs/dbraw/zinc/44/19/29/979441929.db2.gz AXOIFRMHWFOFIC-DJJJIMSYSA-N -1 0 317.429 3.806 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595109864 979448166 /nfs/dbraw/zinc/44/81/66/979448166.db2.gz PDSDEWWJFBSFET-UHFFFAOYSA-N -1 0 309.381 3.812 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001595125729 979510181 /nfs/dbraw/zinc/51/01/81/979510181.db2.gz HFMFCCJVTKBMFM-UKRRQHHQSA-N -1 0 309.450 3.695 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000851599205 979516671 /nfs/dbraw/zinc/51/66/71/979516671.db2.gz LXJCPVBUBJOJGG-QGZVFWFLSA-N -1 0 309.381 3.906 20 0 DHADRM CC[C@H](CCc1ccccc1)NC(=O)c1ccsc1C(=O)[O-] ZINC001595129764 979537927 /nfs/dbraw/zinc/53/79/27/979537927.db2.gz QSRBCILJSXVOIF-CYBMUJFWSA-N -1 0 317.410 3.588 20 0 DHADRM CC[C@H](CNC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2)C(=O)[O-] ZINC001595139386 979592044 /nfs/dbraw/zinc/59/20/44/979592044.db2.gz LJBLQOGGZURSGC-XNDRKVBMSA-N -1 0 323.477 3.846 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000856993982 979621512 /nfs/dbraw/zinc/62/15/12/979621512.db2.gz ROYOZCQKKRLVNL-MNOVXSKESA-N -1 0 312.435 3.625 20 0 DHADRM COC1(C[C@H](C)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCC1 ZINC000859810262 979640374 /nfs/dbraw/zinc/64/03/74/979640374.db2.gz JOLVAVFCANFZQJ-ZDUSSCGKSA-N -1 0 305.418 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858800 979676811 /nfs/dbraw/zinc/67/68/11/979676811.db2.gz METLFTUYESPCHR-GUTXKFCHSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1)C(=O)[O-] ZINC001592858860 979677979 /nfs/dbraw/zinc/67/79/79/979677979.db2.gz WIUOMYCHWZKZEJ-LRDDRELGSA-N -1 0 315.344 3.599 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000864102837 979687708 /nfs/dbraw/zinc/68/77/08/979687708.db2.gz ASALXCROWPHTQO-ROJDOSBLSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H]2C2CCCCC2)o1 ZINC000864102910 979688020 /nfs/dbraw/zinc/68/80/20/979688020.db2.gz DOWCBCWRPSRWCV-GDXASINISA-N -1 0 317.385 3.562 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)N(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592860385 979690487 /nfs/dbraw/zinc/69/04/87/979690487.db2.gz ISJIAIZFZIKPRZ-CYBMUJFWSA-N -1 0 312.369 3.618 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000864104475 979691078 /nfs/dbraw/zinc/69/10/78/979691078.db2.gz LDUKTEITVFXAAL-YSVLISHTSA-N -1 0 315.413 3.734 20 0 DHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592867958 979717176 /nfs/dbraw/zinc/71/71/76/979717176.db2.gz SWTWKQAJHCUZJU-HNJNHCNJSA-N -1 0 318.417 3.506 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000864127989 979728368 /nfs/dbraw/zinc/72/83/68/979728368.db2.gz NPBLSJNZIUDROZ-NSHDSACASA-N -1 0 303.383 3.554 20 0 DHADRM CC[C@@H](CNc1nc(C(=O)[O-])c(C)s1)Oc1cccc(C)c1 ZINC001595172421 979741865 /nfs/dbraw/zinc/74/18/65/979741865.db2.gz CLGQIAFFXBSEQU-LBPRGKRZSA-N -1 0 320.414 3.728 20 0 DHADRM C[C@H](Cc1ccc(Nc2nc3ccc(F)cc3o2)cc1)C(=O)[O-] ZINC001592884064 979765693 /nfs/dbraw/zinc/76/56/93/979765693.db2.gz ZWXIPROQWZLNKY-SNVBAGLBSA-N -1 0 314.316 3.974 20 0 DHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC001592886095 979773238 /nfs/dbraw/zinc/77/32/38/979773238.db2.gz XMTZSYJJWLABRH-JTQLQIEISA-N -1 0 322.744 3.553 20 0 DHADRM C[C@H](Cc1ccco1)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592900348 979821116 /nfs/dbraw/zinc/82/11/16/979821116.db2.gz UBRHVOXLBLKTPO-SNVBAGLBSA-N -1 0 322.744 3.553 20 0 DHADRM C[C@H](Cc1ccno1)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592901962 979825761 /nfs/dbraw/zinc/82/57/61/979825761.db2.gz CHMJSZJSOZZDBE-SECBINFHSA-N -1 0 302.355 3.631 20 0 DHADRM C/C(=C\C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C(C)(C)C ZINC000864188693 979837076 /nfs/dbraw/zinc/83/70/76/979837076.db2.gz HSDGFYHYDMICEV-XXQUSICCSA-N -1 0 301.386 3.806 20 0 DHADRM C[C@H](Cc1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1)c1ccccc1 ZINC001592912269 979877946 /nfs/dbraw/zinc/87/79/46/979877946.db2.gz GTLGQHNULPGHPS-BPLDGKMQSA-N -1 0 314.385 3.774 20 0 DHADRM C[C@@H](Cc1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1)c1ccccc1 ZINC001592912271 979878115 /nfs/dbraw/zinc/87/81/15/979878115.db2.gz GTLGQHNULPGHPS-QEJZJMRPSA-N -1 0 314.385 3.774 20 0 DHADRM C/C(Cl)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001592918527 979906148 /nfs/dbraw/zinc/90/61/48/979906148.db2.gz MKIOJKVZOCUOGW-QIENPNARSA-N -1 0 317.772 3.614 20 0 DHADRM CCO[C@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC000864225294 979909865 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CCC(F)(F)CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595221805 980055298 /nfs/dbraw/zinc/05/52/98/980055298.db2.gz SYILZUDUCQMOQF-UHFFFAOYSA-N -1 0 322.311 3.705 20 0 DHADRM CC[C@H](F)C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001595222379 980060133 /nfs/dbraw/zinc/06/01/33/980060133.db2.gz GZMSIDDEVIULJY-JTQLQIEISA-N -1 0 307.346 3.800 20 0 DHADRM CC[C@H](F)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595224207 980068034 /nfs/dbraw/zinc/06/80/34/980068034.db2.gz ZLILDOSLOCWNNJ-AWEZNQCLSA-N -1 0 317.316 3.864 20 0 DHADRM CC[C@](NC(=O)C(C)=C1CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232841 980126904 /nfs/dbraw/zinc/12/69/04/980126904.db2.gz KCYDHMGWQOUZLE-QGZVFWFLSA-N -1 0 321.804 3.647 20 0 DHADRM CC[C@](NC(=O)[C@@H](C)CCC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595232901 980128123 /nfs/dbraw/zinc/12/81/23/980128123.db2.gz LWUIPLJXLSJMHE-IFXJQAMLSA-N -1 0 319.445 3.955 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887316409 980214948 /nfs/dbraw/zinc/21/49/48/980214948.db2.gz PPUDKHPUQGMVQP-OQPBUACISA-N -1 0 321.270 3.699 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC000887325483 980216246 /nfs/dbraw/zinc/21/62/46/980216246.db2.gz RBIPTIPYTQHXDP-INIZCTEOSA-N -1 0 323.392 3.762 20 0 DHADRM Cc1nc(CNc2cccc(C(=O)[O-])c2OC(C)C)sc1C ZINC000900036182 980238181 /nfs/dbraw/zinc/23/81/81/980238181.db2.gz UHJWCTVYFPQRTA-UHFFFAOYSA-N -1 0 320.414 3.857 20 0 DHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)C1CCCCC1 ZINC001595269110 980282881 /nfs/dbraw/zinc/28/28/81/980282881.db2.gz LJXFRERZOGADDD-INIZCTEOSA-N -1 0 303.402 3.782 20 0 DHADRM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1F ZINC001595277455 980306397 /nfs/dbraw/zinc/30/63/97/980306397.db2.gz VFEGRNIUCQFKMO-CVEARBPZSA-N -1 0 323.314 3.971 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccc(CSC)cc1)C(=O)[O-] ZINC000066965986 1014650318 /nfs/dbraw/zinc/65/03/18/1014650318.db2.gz XNRZAGODERMJHO-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 ZINC000581253491 1014651037 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C[C@@H](C(=O)[O-])c1cccc(NCc2cn(C)nc2C(C)(C)C)c1 ZINC000901813497 980535094 /nfs/dbraw/zinc/53/50/94/980535094.db2.gz GBKVEALRUQLYSP-GFCCVEGCSA-N -1 0 315.417 3.518 20 0 DHADRM CCO[C@@H]1C[C@@H](Nc2cccc([C@@H](C)C(=O)[O-])c2)C12CCC2 ZINC000901815332 980536769 /nfs/dbraw/zinc/53/67/69/980536769.db2.gz JSZSHJCOHYRATG-DAXOMENPSA-N -1 0 303.402 3.634 20 0 DHADRM CSCc1cnc(CNc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000901817074 980537760 /nfs/dbraw/zinc/53/77/60/980537760.db2.gz XLSWHIOLAHDHKR-SNVBAGLBSA-N -1 0 322.455 3.806 20 0 DHADRM CC[C@@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001595332080 980577932 /nfs/dbraw/zinc/57/79/32/980577932.db2.gz RCTGVGDXPATNJX-PRHODGIISA-N -1 0 302.729 3.584 20 0 DHADRM CC[C@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595339070 980612079 /nfs/dbraw/zinc/61/20/79/980612079.db2.gz ZTHVFOUEUPLLBV-SKDRFNHKSA-N -1 0 318.291 3.605 20 0 DHADRM CCc1cccc(Cl)c1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000901940810 980642286 /nfs/dbraw/zinc/64/22/86/980642286.db2.gz FQGWOZJKAGMCNY-UHFFFAOYSA-N -1 0 307.777 3.792 20 0 DHADRM CC[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC001595347995 980642969 /nfs/dbraw/zinc/64/29/69/980642969.db2.gz RKMYITFYSYEQBX-CQSZACIVSA-N -1 0 312.321 3.535 20 0 DHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000901943950 980643742 /nfs/dbraw/zinc/64/37/42/980643742.db2.gz HFSXEJUWPNUMPK-YESZJQIVSA-N -1 0 315.413 3.778 20 0 DHADRM CC[C@@H](OC(=O)c1occc1C(=O)[O-])c1ccc(F)cc1F ZINC001595353410 980681551 /nfs/dbraw/zinc/68/15/51/980681551.db2.gz CBTZMZIZTKFTEX-GFCCVEGCSA-N -1 0 310.252 3.564 20 0 DHADRM CC[C@H](OC1CCCC1)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595356012 980708070 /nfs/dbraw/zinc/70/80/70/980708070.db2.gz WCDQROFCRASPBD-YPMHNXCESA-N -1 0 324.373 3.628 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(CSC(F)F)o1 ZINC000902039051 980709575 /nfs/dbraw/zinc/70/95/75/980709575.db2.gz KOPMBSUTJJVWAB-LBPRGKRZSA-N -1 0 319.373 3.565 20 0 DHADRM CCc1oc(CNc2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000902099656 980733843 /nfs/dbraw/zinc/73/38/43/980733843.db2.gz ZJPNJKBYQLVIBN-UHFFFAOYSA-N -1 0 311.284 3.754 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595359112 980738231 /nfs/dbraw/zinc/73/82/31/980738231.db2.gz XOZQDZSUWMVEQT-ZIAGYGMSSA-N -1 0 323.458 3.563 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)CC(C)C ZINC001595359574 980743136 /nfs/dbraw/zinc/74/31/36/980743136.db2.gz DSZKZEXWHNKNPN-HOCLYGCPSA-N -1 0 305.418 3.733 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1oc(C)cc1C ZINC001595360091 980748230 /nfs/dbraw/zinc/74/82/30/980748230.db2.gz CIAXRTXTUWXHSN-HNNXBMFYSA-N -1 0 315.369 3.575 20 0 DHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1F ZINC000902157140 980761612 /nfs/dbraw/zinc/76/16/12/980761612.db2.gz QHXNFUOARMXQJC-UHFFFAOYSA-N -1 0 307.321 3.690 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccnn1C(C)C ZINC001595362347 980770166 /nfs/dbraw/zinc/77/01/66/980770166.db2.gz BJWYGIJUDSOYHD-QGZVFWFLSA-N -1 0 315.417 3.502 20 0 DHADRM CC(C)n1ncc2ccc(NCc3csc(C(=O)[O-])c3)cc21 ZINC000902189594 980775315 /nfs/dbraw/zinc/77/53/15/980775315.db2.gz BUCPNQSCGSOFMG-UHFFFAOYSA-N -1 0 315.398 3.989 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cccnc1Cl ZINC001595363043 980777649 /nfs/dbraw/zinc/77/76/49/980777649.db2.gz WUFMLUCFGIGQLL-OAHLLOKOSA-N -1 0 318.804 3.773 20 0 DHADRM Cc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902239841 980796013 /nfs/dbraw/zinc/79/60/13/980796013.db2.gz QNDGLEJTSGRUCG-XBFCOCLRSA-N -1 0 318.417 3.501 20 0 DHADRM CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CCCC1 ZINC001595366060 980811236 /nfs/dbraw/zinc/81/12/36/980811236.db2.gz QRULNRGWDNNDFF-HNNXBMFYSA-N -1 0 309.450 3.744 20 0 DHADRM CCc1oc(CNC2(c3nccs3)CCCC2)cc1C(=O)[O-] ZINC000902284473 980817323 /nfs/dbraw/zinc/81/73/23/980817323.db2.gz XLUMFDBGMIYYRN-UHFFFAOYSA-N -1 0 320.414 3.556 20 0 DHADRM CC[C@](C)(NCc1csc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000902293954 980821044 /nfs/dbraw/zinc/82/10/44/980821044.db2.gz 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/nfs/dbraw/zinc/88/34/72/980883472.db2.gz CJVUGHDLYAHOKR-NNNHXZLVSA-N -1 0 319.323 3.834 20 0 DHADRM CCC1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCC1 ZINC001595390814 980947509 /nfs/dbraw/zinc/94/75/09/980947509.db2.gz NBSQYINFNRANEU-LSDHHAIUSA-N -1 0 316.401 3.719 20 0 DHADRM CC(C)COC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccco1 ZINC000903676996 981011898 /nfs/dbraw/zinc/01/18/98/981011898.db2.gz JYUCJIRBEBAPEY-ZDUSSCGKSA-N -1 0 323.414 3.543 20 0 DHADRM CCC1CCC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)(C(=O)[O-])CC1 ZINC001595420635 981037398 /nfs/dbraw/zinc/03/73/98/981037398.db2.gz DOOMGRDMGMBDRP-RKSAHCFOSA-N -1 0 309.450 3.599 20 0 DHADRM CCC1CCC(NC(=O)c2sccc2C2CC2)(C(=O)[O-])CC1 ZINC001595425671 981045886 /nfs/dbraw/zinc/04/58/86/981045886.db2.gz VTLGLCKECNDRJG-UHFFFAOYSA-N -1 0 321.442 3.779 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595435229 981064002 /nfs/dbraw/zinc/06/40/02/981064002.db2.gz IEHDIFNGMARTHO-SCZZXKLOSA-N -1 0 311.765 3.509 20 0 DHADRM 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CCC1CCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC001595460026 981141772 /nfs/dbraw/zinc/14/17/72/981141772.db2.gz QIXPWUZFIQPQRA-UHFFFAOYSA-N -1 0 322.430 3.761 20 0 DHADRM CC[C@H]1CCc2ccccc2N1C(=O)c1cc(C(=O)[O-])oc1C ZINC001595467027 981153898 /nfs/dbraw/zinc/15/38/98/981153898.db2.gz CCZLCJXKNKZXDR-ZDUSSCGKSA-N -1 0 313.353 3.658 20 0 DHADRM Cc1oc(CN[C@H](c2ncccc2C)C(C)(C)C)cc1C(=O)[O-] ZINC000905795743 981154149 /nfs/dbraw/zinc/15/41/49/981154149.db2.gz AUXYBXWOJPGYDR-MRXNPFEDSA-N -1 0 316.401 3.867 20 0 DHADRM Cc1ccc(C)c(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907554489 981187500 /nfs/dbraw/zinc/18/75/00/981187500.db2.gz MHHUBOYVOGEWLU-KXBFYZLASA-N -1 0 309.365 3.500 20 0 DHADRM CC[C@@H]1CN(CC2(CC(=O)[O-])CC2)c2cccc(Cl)c2O1 ZINC001595489401 981239131 /nfs/dbraw/zinc/23/91/31/981239131.db2.gz UWQIQANUFUDMDQ-LLVKDONJSA-N -1 0 309.793 3.572 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(OC(C)(C)C)c1 ZINC000907970684 981247187 /nfs/dbraw/zinc/24/71/87/981247187.db2.gz 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CCC[C@@](C)(CC)C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595541893 981402095 /nfs/dbraw/zinc/40/20/95/981402095.db2.gz QEEGDLBEZBOHLE-XSFOEPMVSA-N -1 0 320.385 3.915 20 0 DHADRM CCC[C@](C)(NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001595553758 981431743 /nfs/dbraw/zinc/43/17/43/981431743.db2.gz MUKHILAPPCDOCE-SFHVURJKSA-N -1 0 301.386 3.627 20 0 DHADRM CCC[C@H](C)CCCN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001595570332 981472695 /nfs/dbraw/zinc/47/26/95/981472695.db2.gz BAKGTRHSVUBOFT-BLLLJJGKSA-N -1 0 309.381 3.694 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595571586 981480716 /nfs/dbraw/zinc/48/07/16/981480716.db2.gz KVKJYUJXARJBCA-IAQYHMDHSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@H](C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595572058 981482163 /nfs/dbraw/zinc/48/21/63/981482163.db2.gz BMDVJEOUAWWZJT-LBPRGKRZSA-N -1 0 322.405 3.731 20 0 DHADRM CCC[C@H](C)N(C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595578083 981498142 /nfs/dbraw/zinc/49/81/42/981498142.db2.gz GBNOXUZUICHJSJ-LBPRGKRZSA-N -1 0 322.405 3.824 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595585692 981525310 /nfs/dbraw/zinc/52/53/10/981525310.db2.gz ADYLTRIRLKPQFW-GOEBONIOSA-N -1 0 323.408 3.920 20 0 DHADRM CC(C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)=C1CCCC1 ZINC000909519460 981525506 /nfs/dbraw/zinc/52/55/06/981525506.db2.gz IUFODNDICWRUDN-LBPRGKRZSA-N -1 0 301.386 3.779 20 0 DHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595585782 981526618 /nfs/dbraw/zinc/52/66/18/981526618.db2.gz CUPLKYVZRMTOGZ-ZDUSSCGKSA-N -1 0 309.381 3.854 20 0 DHADRM CCC[C@H](CC)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595585853 981527125 /nfs/dbraw/zinc/52/71/25/981527125.db2.gz GLKJWBUGZVEUFN-HNNXBMFYSA-N -1 0 305.418 3.705 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595585902 981527165 /nfs/dbraw/zinc/52/71/65/981527165.db2.gz IGCRUFNMKCJJQM-CYBMUJFWSA-N -1 0 320.433 3.852 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595585999 981528720 /nfs/dbraw/zinc/52/87/20/981528720.db2.gz LGBNVXXHLPUWOV-GFCCVEGCSA-N -1 0 309.381 3.603 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595586353 981532093 /nfs/dbraw/zinc/53/20/93/981532093.db2.gz XBGWKFFWEREEOA-SUMWQHHRSA-N -1 0 313.397 3.908 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccoc1C(=O)[O-] ZINC001595587410 981541748 /nfs/dbraw/zinc/54/17/48/981541748.db2.gz LVJXQILALNUUAR-AWEZNQCLSA-N -1 0 321.417 3.981 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001595587671 981543596 /nfs/dbraw/zinc/54/35/96/981543596.db2.gz USVLXHAYLXFTOK-QAPCUYQASA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001595593763 981558394 /nfs/dbraw/zinc/55/83/94/981558394.db2.gz GNLWMUUXKQYGSA-OAHLLOKOSA-N -1 0 320.433 3.602 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000909693511 981572196 /nfs/dbraw/zinc/57/21/96/981572196.db2.gz IWMBETIUIKLQEG-GHMZBOCLSA-N -1 0 319.788 3.781 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC001595599875 981574770 /nfs/dbraw/zinc/57/47/70/981574770.db2.gz HIPZFLGIFVEKPB-LLVKDONJSA-N -1 0 310.419 3.927 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC001594740661 981603133 /nfs/dbraw/zinc/60/31/33/981603133.db2.gz QHWQMTKIRIPZDD-INIZCTEOSA-N -1 0 323.392 3.566 20 0 DHADRM CCC[C@@H](O)CCCSCc1cc(C(=O)[O-])ccc1OC ZINC001595608261 981610500 /nfs/dbraw/zinc/61/05/00/981610500.db2.gz JMWOWLMRRVYLPJ-CQSZACIVSA-N -1 0 312.431 3.568 20 0 DHADRM CCCC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCC1 ZINC001595615842 981639061 /nfs/dbraw/zinc/63/90/61/981639061.db2.gz HFZVXXKRLMENDX-LSDHHAIUSA-N -1 0 301.386 3.784 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595617083 981648916 /nfs/dbraw/zinc/64/89/16/981648916.db2.gz CVUVBIUPESPYCZ-UHFFFAOYSA-N -1 0 319.405 3.747 20 0 DHADRM CC(C)n1cccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909830935 981649027 /nfs/dbraw/zinc/64/90/27/981649027.db2.gz ATIFPHQVTXABEP-LBPRGKRZSA-N -1 0 300.358 3.509 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001595617108 981649651 /nfs/dbraw/zinc/64/96/51/981649651.db2.gz DPUAEGSJBSCNKX-UHFFFAOYSA-N -1 0 303.402 3.960 20 0 DHADRM CCCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001595617248 981651384 /nfs/dbraw/zinc/65/13/84/981651384.db2.gz XCUGZNSHUSQWPN-UHFFFAOYSA-N -1 0 304.390 3.649 20 0 DHADRM CC(C)c1cccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000909835656 981654969 /nfs/dbraw/zinc/65/49/69/981654969.db2.gz HWXCAGKUNXSZKB-LBPRGKRZSA-N -1 0 312.369 3.645 20 0 DHADRM CCC[C@@H](C)C(=O)OCc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000728328260 1014757138 /nfs/dbraw/zinc/75/71/38/1014757138.db2.gz PGWDTSVLJDYIRT-LLVKDONJSA-N -1 0 318.369 3.540 20 0 DHADRM O=C(NCC[C@H]1CC=CCC1)c1cc(Br)ccc1O ZINC000706928439 1014757444 /nfs/dbraw/zinc/75/74/44/1014757444.db2.gz PIRCXVCIFOUVSV-NSHDSACASA-N -1 0 324.218 3.631 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595621046 981695895 /nfs/dbraw/zinc/69/58/95/981695895.db2.gz AVSRALYUPVCERE-WFASDCNBSA-N -1 0 319.405 3.569 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595621376 981699658 /nfs/dbraw/zinc/69/96/58/981699658.db2.gz HHAAWELALOCOOM-HUUCEWRRSA-N -1 0 309.450 3.887 20 0 DHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595621701 981702543 /nfs/dbraw/zinc/70/25/43/981702543.db2.gz NCGZWUVFMWEFIX-RDJZCZTQSA-N -1 0 317.429 3.793 20 0 DHADRM O=C([O-])C12CCC(C(=O)N3CCCC4(CCCC4)CC3)(CC1)C2 ZINC000909946043 981705778 /nfs/dbraw/zinc/70/57/78/981705778.db2.gz SGKQDCVBKIEEGX-UHFFFAOYSA-N -1 0 319.445 3.594 20 0 DHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001594775832 981761914 /nfs/dbraw/zinc/76/19/14/981761914.db2.gz XKLSUKPQEUEWEQ-HZPDHXFCSA-N -1 0 316.328 3.688 20 0 DHADRM CCCC[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])C(C)C ZINC001595627647 981774799 /nfs/dbraw/zinc/77/47/99/981774799.db2.gz OBHJZHHIAKBIOE-NVXWUHKLSA-N -1 0 319.445 3.951 20 0 DHADRM CCCC[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1OC)C(C)C ZINC001595630668 981824707 /nfs/dbraw/zinc/82/47/07/981824707.db2.gz NOHLTBRZHOSJFW-CYBMUJFWSA-N -1 0 308.374 3.761 20 0 DHADRM C/C=C/C[C@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000910253404 981828748 /nfs/dbraw/zinc/82/87/48/981828748.db2.gz AOUCWKJLJRNXKX-IREAZWOJSA-N -1 0 319.445 3.616 20 0 DHADRM CCCC[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595632228 981851976 /nfs/dbraw/zinc/85/19/76/981851976.db2.gz UCOIEESFRZPFLI-BBRMVZONSA-N -1 0 323.408 3.717 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595632598 981857972 /nfs/dbraw/zinc/85/79/72/981857972.db2.gz KMZCRKQBHCYPRS-DYVFJYSZSA-N -1 0 321.417 3.544 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c(OC)c1 ZINC001595633020 981864375 /nfs/dbraw/zinc/86/43/75/981864375.db2.gz ZRHLYKIPRYRART-GFCCVEGCSA-N -1 0 308.374 3.905 20 0 DHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)NC(C)(C)CC(=O)[O-])CC1 ZINC001594797289 981886052 /nfs/dbraw/zinc/88/60/52/981886052.db2.gz XJYNCQOCYGBYFX-BIWSTMPVSA-N -1 0 323.477 3.989 20 0 DHADRM CCC(C)(C)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594801286 981896794 /nfs/dbraw/zinc/89/67/94/981896794.db2.gz JNDCEPQTORMBLR-CQSZACIVSA-N -1 0 320.433 3.574 20 0 DHADRM CCCC[C@@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001595636404 981916744 /nfs/dbraw/zinc/91/67/44/981916744.db2.gz PWSPSWNWTCCENT-SNVBAGLBSA-N -1 0 322.163 3.506 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001594815523 981942363 /nfs/dbraw/zinc/94/23/63/981942363.db2.gz CHEPCDGCJICWCF-AWEZNQCLSA-N -1 0 319.445 3.851 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001594815725 981945079 /nfs/dbraw/zinc/94/50/79/981945079.db2.gz LNYZFVPETZPWNN-AWEZNQCLSA-N -1 0 317.429 3.605 20 0 DHADRM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910543826 981988267 /nfs/dbraw/zinc/98/82/67/981988267.db2.gz DPTYJEDWMVZAFJ-IAQYHMDHSA-N -1 0 313.353 3.510 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC001595651225 982018677 /nfs/dbraw/zinc/01/86/77/982018677.db2.gz DFBUAEHLDBVKMG-GXTWGEPZSA-N -1 0 315.479 3.543 20 0 DHADRM CC(C)c1csc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC000910631281 982034261 /nfs/dbraw/zinc/03/42/61/982034261.db2.gz WTILHKWQDQBVOI-UHFFFAOYSA-N -1 0 322.430 3.630 20 0 DHADRM CCCC[C@H](SC[C@@H](O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595656411 982052961 /nfs/dbraw/zinc/05/29/61/982052961.db2.gz YDXOOGWRLYWSCV-OLZOCXBDSA-N -1 0 302.823 3.750 20 0 DHADRM CCCC[C@@H](SCCCN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001595656526 982054369 /nfs/dbraw/zinc/05/43/69/982054369.db2.gz ZLBJKQVEFGDECI-GFCCVEGCSA-N -1 0 319.467 3.620 20 0 DHADRM CCCC[C@H](SCc1cccnc1C(F)(F)F)C(=O)[O-] ZINC001595656764 982055329 /nfs/dbraw/zinc/05/53/29/982055329.db2.gz AAQFEGNICRPAGN-JTQLQIEISA-N -1 0 307.337 3.977 20 0 DHADRM CCCCC1(C(=O)Oc2cc(/C=C\C(=O)[O-])ccc2OC)CC1 ZINC001595656918 982058035 /nfs/dbraw/zinc/05/80/35/982058035.db2.gz IVJMMZIXTUDZJR-VURMDHGXSA-N -1 0 318.369 3.669 20 0 DHADRM CCCCC1(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC001595657202 982059501 /nfs/dbraw/zinc/05/95/01/982059501.db2.gz NDKZPSAKCNHDHH-UHFFFAOYSA-N -1 0 310.781 3.883 20 0 DHADRM CCCCC1(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC001595657232 982060661 /nfs/dbraw/zinc/06/06/61/982060661.db2.gz ORVGXQJMZCFHSJ-LJQANCHMSA-N -1 0 317.429 3.506 20 0 DHADRM CC[C@@](C)(NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CC1 ZINC001594842840 982065491 /nfs/dbraw/zinc/06/54/91/982065491.db2.gz YNGCATSNIOQGKC-QGZVFWFLSA-N -1 0 315.373 3.566 20 0 DHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1C ZINC000910695956 982066614 /nfs/dbraw/zinc/06/66/14/982066614.db2.gz AGUPQVLNROFAOS-UHFFFAOYSA-N -1 0 318.398 3.834 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595660280 982069695 /nfs/dbraw/zinc/06/96/95/982069695.db2.gz CIWHKTWHYDWRDE-WFASDCNBSA-N -1 0 304.390 3.865 20 0 DHADRM Cc1c(F)cccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910705152 982074684 /nfs/dbraw/zinc/07/46/84/982074684.db2.gz DEXIWIHJGDMXEH-UHFFFAOYSA-N -1 0 322.361 3.665 20 0 DHADRM CCCCC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1N)C(C)C ZINC001595663320 982082798 /nfs/dbraw/zinc/08/27/98/982082798.db2.gz UNTQCULREAUHPU-GFCCVEGCSA-N -1 0 306.406 3.758 20 0 DHADRM CCCC[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723389 982086035 /nfs/dbraw/zinc/08/60/35/982086035.db2.gz YHHLSBYKTMTNRR-JQWIXIFHSA-N -1 0 324.446 3.640 20 0 DHADRM O=C(/C=C/C1CCCCC1)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733145 982095796 /nfs/dbraw/zinc/09/57/96/982095796.db2.gz IJKYNYMYIATGOV-RMKNXTFCSA-N -1 0 320.414 3.794 20 0 DHADRM CC[C@](C)(NCc1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC001594852838 982099343 /nfs/dbraw/zinc/09/93/43/982099343.db2.gz VFXFOZDFUHEJBM-LBPRGKRZSA-N -1 0 309.715 3.859 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595666352 982101617 /nfs/dbraw/zinc/10/16/17/982101617.db2.gz JJPNHJWZYKDMKX-LLVKDONJSA-N -1 0 317.389 3.806 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC001595669965 982115306 /nfs/dbraw/zinc/11/53/06/982115306.db2.gz LFHAOGRZZBLHTC-AWEZNQCLSA-N -1 0 323.437 3.520 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595670105 982116882 /nfs/dbraw/zinc/11/68/82/982116882.db2.gz NIXSBLXTOPMVKP-CYBMUJFWSA-N -1 0 303.402 3.834 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H](CC)Sc1ccccc1)C(=O)[O-] ZINC001595670595 982120105 /nfs/dbraw/zinc/12/01/05/982120105.db2.gz SFGDZRYMHNSOOQ-HUUCEWRRSA-N -1 0 323.458 3.707 20 0 DHADRM CCCCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC001595672935 982138393 /nfs/dbraw/zinc/13/83/93/982138393.db2.gz RYLPKWKUJWBMKO-ZDUSSCGKSA-N -1 0 321.421 3.896 20 0 DHADRM CCCCC[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001595676018 982144871 /nfs/dbraw/zinc/14/48/71/982144871.db2.gz FUIWTWVLQKOASU-XHSDSOJGSA-N -1 0 317.429 3.576 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(C)(C)C ZINC001595676584 982148109 /nfs/dbraw/zinc/14/81/09/982148109.db2.gz NGUFAFBXOIGMTN-ZNMIVQPWSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001595682994 982168681 /nfs/dbraw/zinc/16/86/81/982168681.db2.gz IIYWYBDDZFYFHI-CQSZACIVSA-N -1 0 318.442 3.933 20 0 DHADRM CCCCC[C@H](Nc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC001595686518 982175535 /nfs/dbraw/zinc/17/55/35/982175535.db2.gz BUIZGWLPQLOHII-LBPRGKRZSA-N -1 0 305.403 3.651 20 0 DHADRM CC[C@@H](C)[C@H](C(=O)[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873562 982194980 /nfs/dbraw/zinc/19/49/80/982194980.db2.gz NUCAACNBVSVETE-BDJLRTHQSA-N -1 0 320.820 3.610 20 0 DHADRM CCCCCCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595690543 982197478 /nfs/dbraw/zinc/19/74/78/982197478.db2.gz RTSFKGZGSLNFLY-GFCCVEGCSA-N -1 0 324.446 3.784 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001595694825 982214023 /nfs/dbraw/zinc/21/40/23/982214023.db2.gz HWWWKBXLHJZDEH-SFHVURJKSA-N -1 0 320.433 3.783 20 0 DHADRM CCCCCC[C@H](C)CC(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001595695015 982216082 /nfs/dbraw/zinc/21/60/82/982216082.db2.gz NJYGSXOAILPHJE-AWEZNQCLSA-N -1 0 320.433 3.804 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001595695167 982217218 /nfs/dbraw/zinc/21/72/18/982217218.db2.gz PVHUUNIZUGTZOT-INIZCTEOSA-N -1 0 307.394 3.500 20 0 DHADRM CCCCCC[C@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595695338 982217804 /nfs/dbraw/zinc/21/78/04/982217804.db2.gz SRTRMMKYHKFLNN-RMWBKXBUSA-N -1 0 323.477 3.989 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595695328 982218008 /nfs/dbraw/zinc/21/80/08/982218008.db2.gz RYRMMGHNADGZMO-GFCCVEGCSA-N -1 0 307.390 3.944 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595695618 982220414 /nfs/dbraw/zinc/22/04/14/982220414.db2.gz ZGTVMNUUYQMKAF-SNVBAGLBSA-N -1 0 312.797 3.978 20 0 DHADRM CC[C@H](C)[C@H](C(=O)[O-])N(CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001594877948 982221069 /nfs/dbraw/zinc/22/10/69/982221069.db2.gz SGZVQPAGMDJYCV-BFQNTYOBSA-N -1 0 324.490 3.589 20 0 DHADRM CC(C)(C)OCc1cccc(NC(=O)CCCCC(=O)[O-])c1 ZINC000911081346 982229113 /nfs/dbraw/zinc/22/91/13/982229113.db2.gz DHUALFWJSFJEAN-UHFFFAOYSA-N -1 0 307.390 3.585 20 0 DHADRM CCCCCC[C@H](C)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595696917 982235920 /nfs/dbraw/zinc/23/59/20/982235920.db2.gz FRPYEWPKBSSJAJ-ZDUSSCGKSA-N -1 0 323.437 3.638 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595697287 982239861 /nfs/dbraw/zinc/23/98/61/982239861.db2.gz JWDSONAOFCHUNG-CYBMUJFWSA-N -1 0 309.406 3.899 20 0 DHADRM CCCCCC[C@@H](CC)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001595697304 982240903 /nfs/dbraw/zinc/24/09/03/982240903.db2.gz KBXKAPAEOUSQAL-VKJFTORMSA-N -1 0 309.450 3.696 20 0 DHADRM CCCCCCO[C@H](C)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595711125 982297707 /nfs/dbraw/zinc/29/77/07/982297707.db2.gz POAGYPXOFBGWTI-SNVBAGLBSA-N -1 0 308.334 3.686 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCC[C@H](C)C1 ZINC001595732203 982367684 /nfs/dbraw/zinc/36/76/84/982367684.db2.gz SJORVRTVGCTTJF-ZFWWWQNUSA-N -1 0 318.417 3.601 20 0 DHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCC[C@@H](C)C1 ZINC001595735830 982380023 /nfs/dbraw/zinc/38/00/23/982380023.db2.gz MRFTZYIIFTTYQW-KGLIPLIRSA-N -1 0 318.417 3.601 20 0 DHADRM CCCCN(C(=O)c1ccccc1CCC(=O)[O-])[C@@H](C)CC ZINC001595735909 982380586 /nfs/dbraw/zinc/38/05/86/982380586.db2.gz RFXDRCMBYCBLKA-AWEZNQCLSA-N -1 0 305.418 3.745 20 0 DHADRM COc1cnc(F)cc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001215802616 1014835394 /nfs/dbraw/zinc/83/53/94/1014835394.db2.gz BDKYWJMBHJXEQG-UHFFFAOYSA-N -1 0 322.098 3.519 20 0 DHADRM O=C(C=C(C1CC1)C1CC1)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911386787 982410945 /nfs/dbraw/zinc/41/09/45/982410945.db2.gz JGXCQNRBJSTIDV-UHFFFAOYSA-N -1 0 310.353 3.551 20 0 DHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911398061 982417173 /nfs/dbraw/zinc/41/71/73/982417173.db2.gz GNYMYMJKSKHYOQ-HNNXBMFYSA-N -1 0 321.392 3.689 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911424044 982425816 /nfs/dbraw/zinc/42/58/16/982425816.db2.gz OKMWFGIUMIKTHJ-CQSZACIVSA-N -1 0 318.417 3.506 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911424043 982426105 /nfs/dbraw/zinc/42/61/05/982426105.db2.gz OKMWFGIUMIKTHJ-AWEZNQCLSA-N -1 0 318.417 3.506 20 0 DHADRM CCCCOC(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595763767 982474543 /nfs/dbraw/zinc/47/45/43/982474543.db2.gz AYSDGPQTCRJOKP-UHFFFAOYSA-N -1 0 316.806 3.615 20 0 DHADRM CC[C@@H](C)[C@H](Sc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001594928164 982532988 /nfs/dbraw/zinc/53/29/88/982532988.db2.gz CYNXPZNLZYOAID-OCCSQVGLSA-N -1 0 304.415 3.523 20 0 DHADRM CCCCOc1cccc(NCc2ccc(C(=O)[O-])n2C)c1 ZINC001595780684 982551714 /nfs/dbraw/zinc/55/17/14/982551714.db2.gz CHLNXCLEKSVGSX-UHFFFAOYSA-N -1 0 302.374 3.514 20 0 DHADRM Cc1ccc(/C=C\CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000581436655 1014858999 /nfs/dbraw/zinc/85/89/99/1014858999.db2.gz ANJKKOUZVWMPKQ-MMTGSJLXSA-N -1 0 315.413 3.502 20 0 DHADRM CCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C ZINC000911655494 982584988 /nfs/dbraw/zinc/58/49/88/982584988.db2.gz UDBZJSOFFXSIDM-UHFFFAOYSA-N -1 0 301.386 3.531 20 0 DHADRM CCCCS[C@H](C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001595789303 982588677 /nfs/dbraw/zinc/58/86/77/982588677.db2.gz UUESKEZKUNOMQZ-NWDGAFQWSA-N -1 0 310.415 3.911 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595789363 982588776 /nfs/dbraw/zinc/58/87/76/982588776.db2.gz XSZAJNKQGGSNTE-SECBINFHSA-N -1 0 301.433 3.615 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595791659 982590163 /nfs/dbraw/zinc/59/01/63/982590163.db2.gz GWGXFXWBDJEBRC-UHFFFAOYSA-N -1 0 309.431 3.864 20 0 DHADRM CCCCSCCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595791841 982591158 /nfs/dbraw/zinc/59/11/58/982591158.db2.gz HABFMCOFGIMKFL-UHFFFAOYSA-N -1 0 315.822 3.900 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001594938054 982605085 /nfs/dbraw/zinc/60/50/85/982605085.db2.gz DNYSKOBYGGUHLF-HOCLYGCPSA-N -1 0 319.445 3.750 20 0 DHADRM CC(C)Oc1c(NC(=O)C2CC3(CCC3)C2)cccc1C(=O)[O-] ZINC000911734339 982619125 /nfs/dbraw/zinc/61/91/25/982619125.db2.gz RCWYWYOHJOXMPU-UHFFFAOYSA-N -1 0 317.385 3.691 20 0 DHADRM CC/C(C)=C(\C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738115 982620700 /nfs/dbraw/zinc/62/07/00/982620700.db2.gz OTGSOABZZQJHNL-VAWYXSNFSA-N -1 0 305.374 3.857 20 0 DHADRM CCCCc1noc(CNc2c(C)cc(C(=O)[O-])cc2Cl)n1 ZINC001595803708 982626478 /nfs/dbraw/zinc/62/64/78/982626478.db2.gz ZLJOTLXQMLLXOH-UHFFFAOYSA-N -1 0 323.780 3.684 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911756450 982633718 /nfs/dbraw/zinc/63/37/18/982633718.db2.gz WJYIOWMLSLGVHE-QWRGUYRKSA-N -1 0 311.328 3.628 20 0 DHADRM CCCCn1ncc(NCc2nc(C(=O)[O-])cs2)c1C(C)C ZINC001595811110 982648525 /nfs/dbraw/zinc/64/85/25/982648525.db2.gz VUGAXRDMJNHTMV-UHFFFAOYSA-N -1 0 322.434 3.573 20 0 DHADRM CCCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)[C@@H](C)C(=O)[O-] ZINC001595813490 982655529 /nfs/dbraw/zinc/65/55/29/982655529.db2.gz JSMTWNKBGWSHMP-CABCVRRESA-N -1 0 319.445 3.700 20 0 DHADRM CC[C@H](C)C[C@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC001594952244 982665705 /nfs/dbraw/zinc/66/57/05/982665705.db2.gz GSLBHRDSTYMOBF-CABZTGNLSA-N -1 0 323.343 3.869 20 0 DHADRM CC[C@@H](C)C[C@@H](Nc1cc(C2CC2)nc(C2CC2)n1)C(=O)[O-] ZINC001594953455 982679987 /nfs/dbraw/zinc/67/99/87/982679987.db2.gz SUHOKAHRKGUOTN-QMTHXVAHSA-N -1 0 303.406 3.533 20 0 DHADRM CC[C@H](C)CCC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001594956832 982690061 /nfs/dbraw/zinc/69/00/61/982690061.db2.gz GYHPUHAOOFKFNK-VIFPVBQESA-N -1 0 300.301 3.533 20 0 DHADRM CC[C@@H](C)CCC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001594956831 982690221 /nfs/dbraw/zinc/69/02/21/982690221.db2.gz GYHPUHAOOFKFNK-SECBINFHSA-N -1 0 300.301 3.533 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001594958422 982697576 /nfs/dbraw/zinc/69/75/76/982697576.db2.gz BJHXPXUEQWTHGV-GFCCVEGCSA-N -1 0 308.374 3.905 20 0 DHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000923054128 982699507 /nfs/dbraw/zinc/69/95/07/982699507.db2.gz JARAUCGNNPDBKL-YYIAUSFCSA-N -1 0 315.413 3.535 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001594959408 982706760 /nfs/dbraw/zinc/70/67/60/982706760.db2.gz SZNBAFCMWHBEMR-MLGOLLRUSA-N -1 0 309.381 3.674 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594959523 982708137 /nfs/dbraw/zinc/70/81/37/982708137.db2.gz XCQOLHNCSDNYOU-CYBMUJFWSA-N -1 0 320.433 3.996 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000923091242 982717486 /nfs/dbraw/zinc/71/74/86/982717486.db2.gz OQAPTZZRAZLGNX-SECBINFHSA-N -1 0 321.373 3.711 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2)s1 ZINC001594975344 982748664 /nfs/dbraw/zinc/74/86/64/982748664.db2.gz CONABVUJEJZJPT-LBPRGKRZSA-N -1 0 317.410 3.740 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595862697 982799024 /nfs/dbraw/zinc/79/90/24/982799024.db2.gz FUVATILGKAXRLQ-UHFFFAOYSA-N -1 0 317.389 3.766 20 0 DHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccsc1 ZINC000923211300 982841404 /nfs/dbraw/zinc/84/14/04/982841404.db2.gz MBGJZCDTTPQEDQ-GFCCVEGCSA-N -1 0 309.431 3.536 20 0 DHADRM CCCN(CC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001595870195 982850524 /nfs/dbraw/zinc/85/05/24/982850524.db2.gz CRDXNFVULZILRW-UHFFFAOYSA-N -1 0 304.390 3.601 20 0 DHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2cnc(CC)s2)cc1 ZINC000341063536 1014886724 /nfs/dbraw/zinc/88/67/24/1014886724.db2.gz LDROKYWLKNPIRO-HWKANZROSA-N -1 0 308.428 3.539 20 0 DHADRM CCCN(Cc1ccoc1C(=O)[O-])Cc1ccc(F)cc1F ZINC001595888209 982916839 /nfs/dbraw/zinc/91/68/39/982916839.db2.gz JUCPAYOJLBTOSI-UHFFFAOYSA-N -1 0 309.312 3.668 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CCCCC2)cc1 ZINC001116296301 982924983 /nfs/dbraw/zinc/92/49/83/982924983.db2.gz YKTRVGRVDUHYDW-INIZCTEOSA-N -1 0 303.402 3.597 20 0 DHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000443418479 1014907438 /nfs/dbraw/zinc/90/74/38/1014907438.db2.gz PMYLFUPUENHEAK-UHFFFAOYSA-N -1 0 310.378 3.549 20 0 DHADRM C[C@](CC(=O)[O-])(C(=O)NCC1(C2CC2)CCC1)C1CCCCC1 ZINC000443418480 1014907592 /nfs/dbraw/zinc/90/75/92/1014907592.db2.gz PNFHLGIURMSLHA-GOSISDBHSA-N -1 0 321.461 3.744 20 0 DHADRM CCCNc1nnc(S[C@@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC001595936985 983081250 /nfs/dbraw/zinc/08/12/50/983081250.db2.gz TYMHOJIUTYJKAY-ZETCQYMHSA-N -1 0 313.404 3.505 20 0 DHADRM CCCOC1(c2noc([C@@H]3CC[C@H](C(=O)[O-])C3)n2)CCCCC1 ZINC001595942564 983099325 /nfs/dbraw/zinc/09/93/25/983099325.db2.gz YMVVIWRFSWLWSN-OLZOCXBDSA-N -1 0 322.405 3.624 20 0 DHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(CC)[nH]2)cc1C ZINC001595966395 983172388 /nfs/dbraw/zinc/17/23/88/983172388.db2.gz JWFMXIRLYHNICE-UHFFFAOYSA-N -1 0 316.401 3.985 20 0 DHADRM CCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cc1OC ZINC001595966827 983174474 /nfs/dbraw/zinc/17/44/74/983174474.db2.gz SJDCUGREHXWZNB-UMVBOHGHSA-N -1 0 321.417 3.785 20 0 DHADRM CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-] ZINC000656605287 1014921142 /nfs/dbraw/zinc/92/11/42/1014921142.db2.gz RDNNDWJTGHYTOW-INIZCTEOSA-N -1 0 316.401 3.514 20 0 DHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001596007704 983264082 /nfs/dbraw/zinc/26/40/82/983264082.db2.gz JTHKKXWZHSWMBJ-MWLCHTKSSA-N -1 0 318.398 3.678 20 0 DHADRM CCC[C@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001596019764 983281359 /nfs/dbraw/zinc/28/13/59/983281359.db2.gz DBJBBSJRKZATPT-AWEZNQCLSA-N -1 0 311.337 3.569 20 0 DHADRM CCCc1c(C(=O)N2CCCCCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596032502 983310268 /nfs/dbraw/zinc/31/02/68/983310268.db2.gz XXKOTRTZWBRQEI-UHFFFAOYSA-N -1 0 320.433 3.770 20 0 DHADRM CCCc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC001596052637 983353002 /nfs/dbraw/zinc/35/30/02/983353002.db2.gz GFEJFVYHVQTMCC-CQSZACIVSA-N -1 0 323.820 3.762 20 0 DHADRM CCCc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596060587 983369227 /nfs/dbraw/zinc/36/92/27/983369227.db2.gz MDCBWOIMKGHSAI-KRWDZBQOSA-N -1 0 317.429 3.650 20 0 DHADRM CCCc1ccc(C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001596063428 983374668 /nfs/dbraw/zinc/37/46/68/983374668.db2.gz YKXUZGFQVXPIMS-UHFFFAOYSA-N -1 0 303.383 3.960 20 0 DHADRM CCCc1ccccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001596070411 983384809 /nfs/dbraw/zinc/38/48/09/983384809.db2.gz BMGMNJMHEHHKAB-INIZCTEOSA-N -1 0 317.429 3.650 20 0 DHADRM CCCc1nc(C)c(C(=O)Nc2sc(C)cc2C(=O)[O-])s1 ZINC001596082304 983399835 /nfs/dbraw/zinc/39/98/35/983399835.db2.gz RYHIGRZRKHGPQZ-UHFFFAOYSA-N -1 0 324.427 3.724 20 0 DHADRM CCCc1occc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001596102759 983428635 /nfs/dbraw/zinc/42/86/35/983428635.db2.gz UGEUIFDIUVOOMT-UHFFFAOYSA-N -1 0 312.325 3.664 20 0 DHADRM CCCn1cc(CNc2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC001596116533 983448765 /nfs/dbraw/zinc/44/87/65/983448765.db2.gz JJOFLDCOAUAMJG-UHFFFAOYSA-N -1 0 307.781 3.565 20 0 DHADRM CCCn1cc(CNc2cccc3cc(C(=O)[O-])sc32)cn1 ZINC001596117107 983449748 /nfs/dbraw/zinc/44/97/48/983449748.db2.gz ZQGZQNDJNMMGBK-UHFFFAOYSA-N -1 0 315.398 3.818 20 0 DHADRM CCN(C(=O)[C@H](C)CCC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001596128591 983473749 /nfs/dbraw/zinc/47/37/49/983473749.db2.gz YSQZRDLDTBIEKM-SNVBAGLBSA-N -1 0 312.435 3.657 20 0 DHADRM CCN(C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131740 983479366 /nfs/dbraw/zinc/47/93/66/983479366.db2.gz RMFMJUJTHDELGR-MORSLUCNSA-N -1 0 323.392 3.787 20 0 DHADRM CCN(C(=O)[C@@H]1CCC=CCCC1)c1ccccc1C(=O)[O-] ZINC001596136795 983484868 /nfs/dbraw/zinc/48/48/68/983484868.db2.gz GJNWEGAOWRRZCJ-CQSZACIVSA-N -1 0 301.386 3.874 20 0 DHADRM CCN(C(=O)c1ccc(-c2ccc(C)o2)s1)C(C)(C)C(=O)[O-] ZINC001596164803 983528028 /nfs/dbraw/zinc/52/80/28/983528028.db2.gz DUPZUJXUYGHFFO-UHFFFAOYSA-N -1 0 321.398 3.642 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc2ccccc2c1 ZINC001596164962 983528772 /nfs/dbraw/zinc/52/87/72/983528772.db2.gz GVEQWFTWDRFMEU-UHFFFAOYSA-N -1 0 308.337 3.533 20 0 DHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC001596169640 983533559 /nfs/dbraw/zinc/53/35/59/983533559.db2.gz IVPFVRKJGBEGOR-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(CC(=O)[O-])C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 ZINC001596213768 983606697 /nfs/dbraw/zinc/60/66/97/983606697.db2.gz SLZWEDYPFMVASR-TXKKKEFDSA-N -1 0 309.450 3.552 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001596321034 983753352 /nfs/dbraw/zinc/75/33/52/983753352.db2.gz AXJJLOCWRHEQAU-UHFFFAOYSA-N -1 0 324.324 3.561 20 0 DHADRM CCNc1cc(C)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000191373894 1014977434 /nfs/dbraw/zinc/97/74/34/1014977434.db2.gz CFWLZDNENVYKAB-UHFFFAOYSA-N -1 0 306.312 3.663 20 0 DHADRM CCCCCN(CCCCC)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006042217 1015016195 /nfs/dbraw/zinc/01/61/95/1015016195.db2.gz DUFLXLXOAJHVID-CVEARBPZSA-N -1 0 309.450 3.862 20 0 DHADRM CCOC(=O)C1CCC(S[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC001596569327 984458376 /nfs/dbraw/zinc/45/83/76/984458376.db2.gz BGIZCLINMKHLTN-NRXISQOPSA-N -1 0 322.426 3.667 20 0 DHADRM C=Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001588919281 984571228 /nfs/dbraw/zinc/57/12/28/984571228.db2.gz FYILDFWZFUZABY-KRWDZBQOSA-N -1 0 309.365 3.584 20 0 DHADRM C/C(=C/C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC001588933326 984612265 /nfs/dbraw/zinc/61/22/65/984612265.db2.gz QZGPXXVHNSRBGD-BENRWUELSA-N -1 0 315.394 3.508 20 0 DHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCC1)c1ccccc1Cl ZINC001588938733 984623943 /nfs/dbraw/zinc/62/39/43/984623943.db2.gz JQKWFIHNZFGADU-ZRDIBKRKSA-N -1 0 321.804 3.647 20 0 DHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599885753 984633893 /nfs/dbraw/zinc/63/38/93/984633893.db2.gz PFTYMVHSLSEGEG-YOEHRIQHSA-N -1 0 317.429 3.578 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1cccs1 ZINC001588943847 984641857 /nfs/dbraw/zinc/64/18/57/984641857.db2.gz GAUMUOGBEMRXRF-HJWRWDBZSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC001588943919 984642855 /nfs/dbraw/zinc/64/28/55/984642855.db2.gz IYSLUIULHOLIJY-VQHVLOKHSA-N -1 0 305.330 3.627 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccc(F)cc1 ZINC001588944512 984648449 /nfs/dbraw/zinc/64/84/49/984648449.db2.gz YNDFVPMWGAFXIS-CLFYSBASSA-N -1 0 319.357 3.936 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001599887429 984652946 /nfs/dbraw/zinc/65/29/46/984652946.db2.gz IXYJPJHNQLFTRL-SNVBAGLBSA-N -1 0 310.419 3.562 20 0 DHADRM C/C(=C/C(=O)[O-])CSc1nccn1-c1cc(C)ccc1C ZINC001588951748 984681982 /nfs/dbraw/zinc/68/19/82/984681982.db2.gz GBXYUTYGEUIDQA-XFXZXTDPSA-N -1 0 302.399 3.612 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001588956220 984702342 /nfs/dbraw/zinc/70/23/42/984702342.db2.gz JNBIIJZEAWVIAV-CSKARUKUSA-N -1 0 322.430 3.861 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001588956346 984703338 /nfs/dbraw/zinc/70/33/38/984703338.db2.gz LYUMCMOHGORWRB-MKDVHGTGSA-N -1 0 321.461 3.909 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001588956626 984706298 /nfs/dbraw/zinc/70/62/98/984706298.db2.gz VTJILQIMZNSXLZ-KYLKWRLKSA-N -1 0 321.461 3.909 20 0 DHADRM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1 ZINC001596666761 984731780 /nfs/dbraw/zinc/73/17/80/984731780.db2.gz NEDBVSKTVSAPOK-TYNCELHUSA-N -1 0 320.389 3.556 20 0 DHADRM C[C@H](OC(=O)CCc1ccsc1)c1ccc(C(=O)[O-])cc1 ZINC001599903884 984896501 /nfs/dbraw/zinc/89/65/01/984896501.db2.gz OMNKXIHVGIBFCO-NSHDSACASA-N -1 0 304.367 3.683 20 0 DHADRM Cc1sc(CC(=O)Nc2cc(C(=O)[O-])cs2)nc1C(C)C ZINC000909518137 1015078332 /nfs/dbraw/zinc/07/83/32/1015078332.db2.gz SYRCBFOAVHDYHJ-UHFFFAOYSA-N -1 0 324.427 3.516 20 0 DHADRM C/C(=C/COC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588989407 984908695 /nfs/dbraw/zinc/90/86/95/984908695.db2.gz QXLWQPMMGDKBBU-UJICNMFASA-N -1 0 316.275 3.540 20 0 DHADRM C[C@H](OC(=O)c1coc(C2CCC2)n1)c1ccc(C(=O)[O-])cc1 ZINC001599906613 984931646 /nfs/dbraw/zinc/93/16/46/984931646.db2.gz MMUARTPXYXGPAO-JTQLQIEISA-N -1 0 315.325 3.558 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588997677 984931862 /nfs/dbraw/zinc/93/18/62/984931862.db2.gz AAIAVTBDBQTMMP-VQHVLOKHSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C\c1ccc(C)cc1)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001588999446 984937868 /nfs/dbraw/zinc/93/78/68/984937868.db2.gz VFZDARRSUKKAPO-YQCJOKCJSA-N -1 0 314.337 3.994 20 0 DHADRM C[C@H]1CC[C@@](NC(=O)c2cc3sccc3s2)(C(=O)[O-])CC1 ZINC001599907198 984939586 /nfs/dbraw/zinc/93/95/86/984939586.db2.gz MKCWOWNWFVVNAG-AZKDTHOKSA-N -1 0 323.439 3.726 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)Cc2cccc(C(=O)[O-])c2)C1(C)C ZINC001599907700 984944786 /nfs/dbraw/zinc/94/47/86/984944786.db2.gz BMRORYZWNSIPRM-DJJJIMSYSA-N -1 0 317.429 3.506 20 0 DHADRM C[C@H]1CC[C@@](C)(CNC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC001599908042 984948911 /nfs/dbraw/zinc/94/89/11/984948911.db2.gz KWRFFNQOIIUEOA-SGTLLEGYSA-N -1 0 318.417 3.969 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)c1nc(C(=O)[O-])c(C)s1 ZINC001589003836 984957624 /nfs/dbraw/zinc/95/76/24/984957624.db2.gz NLOKPURRAFWDAH-PKNBQFBNSA-N -1 0 302.399 3.689 20 0 DHADRM C/C(=C\c1ccco1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001589010474 984978905 /nfs/dbraw/zinc/97/89/05/984978905.db2.gz MYFWWQDWGSWQJM-YLSINNKHSA-N -1 0 313.353 3.585 20 0 DHADRM CCCC[C@@H](CC)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262224412 1015102658 /nfs/dbraw/zinc/10/26/58/1015102658.db2.gz RMUOXQXLFOAGPL-PBHICJAKSA-N -1 0 317.429 3.804 20 0 DHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1 ZINC000656738707 1015109490 /nfs/dbraw/zinc/10/94/90/1015109490.db2.gz LOEGITCANBFGSQ-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM C[C@H]1Cc2ccccc2N(C(=O)C=C2CCCCC2)[C@H]1C(=O)[O-] ZINC001599936873 985406930 /nfs/dbraw/zinc/40/69/30/985406930.db2.gz GRMCAJCUKPUCDJ-SCLBCKFNSA-N -1 0 313.397 3.556 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccsc2C(=O)[O-])Cc2ccccc21 ZINC001594481721 985531397 /nfs/dbraw/zinc/53/13/97/985531397.db2.gz FFNLAFLHVVWJCD-SNVBAGLBSA-N -1 0 316.382 3.598 20 0 DHADRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@H]1C ZINC001594494239 985624601 /nfs/dbraw/zinc/62/46/01/985624601.db2.gz NDTNWXNFGFZJNY-STQMWFEESA-N -1 0 309.365 3.532 20 0 DHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCC1(F)F ZINC001594498985 985661864 /nfs/dbraw/zinc/66/18/64/985661864.db2.gz BJLTYCPNPSZALS-PELKAZGASA-N -1 0 321.726 3.582 20 0 DHADRM CC(=O)Nc1cccc(CSCc2cc(C(=O)[O-])cs2)c1 ZINC001589210583 985697736 /nfs/dbraw/zinc/69/77/36/985697736.db2.gz UCAUINKZSOSRIT-UHFFFAOYSA-N -1 0 321.423 3.838 20 0 DHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(F)cc1Cl ZINC000033875236 1015151807 /nfs/dbraw/zinc/15/18/07/1015151807.db2.gz TWHUUTYVJWLXRU-UHFFFAOYSA-N -1 0 324.764 3.761 20 0 DHADRM CCOCCC1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCC1 ZINC001596899227 985866386 /nfs/dbraw/zinc/86/63/86/985866386.db2.gz QKNRYKWLOCTDLQ-UHFFFAOYSA-N -1 0 319.401 3.619 20 0 DHADRM CC(=O)c1c(Cl)cccc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589255374 985891886 /nfs/dbraw/zinc/89/18/86/985891886.db2.gz TUVJYTRLDMREAF-GFCCVEGCSA-N -1 0 323.820 3.870 20 0 DHADRM Cc1nc(S[C@@H](C)c2ccc(C(=O)[O-])o2)[nH]c(=O)c1C1CC1 ZINC001599965333 985893202 /nfs/dbraw/zinc/89/32/02/985893202.db2.gz AJLZUGZVVBERNF-QMMMGPOBSA-N -1 0 320.370 3.513 20 0 DHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1csc(Cl)c1 ZINC001589267088 985943612 /nfs/dbraw/zinc/94/36/12/985943612.db2.gz SMILJKZJVIRLGF-UHFFFAOYSA-N -1 0 324.741 3.522 20 0 DHADRM O=C([O-])/C=C\c1cnc(/C=C\c2cccc3cnccc23)s1 ZINC000588423206 1015176655 /nfs/dbraw/zinc/17/66/55/1015176655.db2.gz OJQOVJSXOYQKHD-PEPZGXQESA-N -1 0 308.362 3.960 20 0 DHADRM CC(=O)c1ccc(OCc2ccsc2C(=O)[O-])cc1Cl ZINC001589297313 986040173 /nfs/dbraw/zinc/04/01/73/986040173.db2.gz KVVHHFQQWUOGTJ-UHFFFAOYSA-N -1 0 310.758 3.881 20 0 DHADRM CC(=O)c1ccc(OCc2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC001589297420 986041415 /nfs/dbraw/zinc/04/14/15/986041415.db2.gz SJDRIQWJOXOPME-UHFFFAOYSA-N -1 0 308.717 3.721 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC(C1CC1)C1CC1 ZINC001597016284 986377902 /nfs/dbraw/zinc/37/79/02/986377902.db2.gz UVULREZQZIUJFZ-UHFFFAOYSA-N -1 0 317.385 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@H](C)CC ZINC001597016558 986383072 /nfs/dbraw/zinc/38/30/72/986383072.db2.gz FVAUSDULLUXBCW-NEPJUHHUSA-N -1 0 322.405 3.730 20 0 DHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)C(F)(F)F ZINC001589385516 986476609 /nfs/dbraw/zinc/47/66/09/986476609.db2.gz IHICCHXLLXLXKX-ZYHUDNBSSA-N -1 0 323.355 3.505 20 0 DHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)C(F)(F)F ZINC001589385515 986476708 /nfs/dbraw/zinc/47/67/08/986476708.db2.gz IHICCHXLLXLXKX-PWSUYJOCSA-N -1 0 323.355 3.505 20 0 DHADRM C[C@H]([C@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C(C)(C)C ZINC001589385814 986480495 /nfs/dbraw/zinc/48/04/95/986480495.db2.gz NNPNTEWKHFRQOZ-GZBFAFLISA-N -1 0 311.466 3.845 20 0 DHADRM C[C@@H]1N(Cc2nc(C(=O)[O-])cs2)c2ccccc2C1(C)C ZINC001594626981 986697150 /nfs/dbraw/zinc/69/71/50/986697150.db2.gz RAQFKVQEZJHMCT-JTQLQIEISA-N -1 0 302.399 3.528 20 0 DHADRM CCOc1ccc(CSCc2csc(C(=O)[O-])c2)nc1 ZINC001597104899 986729980 /nfs/dbraw/zinc/72/99/80/986729980.db2.gz AKGYQCRDJUBLKB-UHFFFAOYSA-N -1 0 309.412 3.673 20 0 DHADRM CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)c(C(=O)[O-])c1F ZINC001597112832 986782715 /nfs/dbraw/zinc/78/27/15/986782715.db2.gz OKJFAEUTSLJVKT-MNOVXSKESA-N -1 0 323.364 3.687 20 0 DHADRM C[C@@H]1Oc2ccccc2[C@@H]1N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655161 986888420 /nfs/dbraw/zinc/88/84/20/986888420.db2.gz NAPAPSIOWGWPAO-JQAFLVLXSA-N -1 0 317.772 3.578 20 0 DHADRM CCOc1cccc(F)c1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597159221 986959864 /nfs/dbraw/zinc/95/98/64/986959864.db2.gz CPSZXOIVODLIFE-UHFFFAOYSA-N -1 0 317.360 3.555 20 0 DHADRM C/C=C(/CC)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001594676550 987006195 /nfs/dbraw/zinc/00/61/95/987006195.db2.gz OSPILJUSEUFIHV-OQFOIZHKSA-N -1 0 308.403 3.794 20 0 DHADRM C/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594676738 987009045 /nfs/dbraw/zinc/00/90/45/987009045.db2.gz DJSHBROXJPPYLD-CGAJTASUSA-N -1 0 303.141 3.629 20 0 DHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cccc(C2CCCC2)c1)C1CCC1 ZINC001589479452 987009940 /nfs/dbraw/zinc/00/99/40/987009940.db2.gz UGPIDLFIRPEYSW-ZDUSSCGKSA-N -1 0 315.413 3.812 20 0 DHADRM C/C=C(/C=C\C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)CC ZINC001594676997 987010404 /nfs/dbraw/zinc/01/04/04/987010404.db2.gz HIUVTVOYVXNXRO-WKJLZEANSA-N -1 0 307.434 3.686 20 0 DHADRM C[C@@H](C(=O)[O-])N(Cc1csc(-c2ccccc2)n1)C1CCC1 ZINC001589487301 987046268 /nfs/dbraw/zinc/04/62/68/987046268.db2.gz YNQQILHUNAUEEX-LBPRGKRZSA-N -1 0 316.426 3.638 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594685532 987054966 /nfs/dbraw/zinc/05/49/66/987054966.db2.gz DIFFVWFJXSXOQS-MPNWYJEXSA-N -1 0 316.401 3.524 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001594686463 987066422 /nfs/dbraw/zinc/06/64/22/987066422.db2.gz WGQIOWHPXZDXHE-OTDNITJGSA-N -1 0 308.403 3.656 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC001589508466 987128981 /nfs/dbraw/zinc/12/89/81/987128981.db2.gz KGLWLQDYHRCQET-IAISJRAMSA-N -1 0 316.401 3.671 20 0 DHADRM CCC(=O)Nc1ccc(C)c(NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001594711041 987173298 /nfs/dbraw/zinc/17/32/98/987173298.db2.gz ZPLAXMNCQKAIPP-UHFFFAOYSA-N -1 0 316.357 3.555 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C)C(C)(C)C2(C)C)c1 ZINC001589522467 987178171 /nfs/dbraw/zinc/17/81/71/987178171.db2.gz KWFSXQNQMPYWDQ-NSHDSACASA-N -1 0 303.402 3.886 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](F)c2ccccc2)c1 ZINC001589523422 987188737 /nfs/dbraw/zinc/18/87/37/987188737.db2.gz XXVKGCMGPBJCGV-ABAIWWIYSA-N -1 0 301.317 3.524 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H](F)c2ccccc2)c1 ZINC001589523425 987189744 /nfs/dbraw/zinc/18/97/44/987189744.db2.gz XXVKGCMGPBJCGV-XHDPSFHLSA-N -1 0 301.317 3.524 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(F)c2Cl)c1 ZINC001589531623 987205194 /nfs/dbraw/zinc/20/51/94/987205194.db2.gz IOWUNVLGKFTHPV-VIFPVBQESA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCCc2noc3ccccc32)c1 ZINC001589531737 987206852 /nfs/dbraw/zinc/20/68/52/987206852.db2.gz IYXRCPZNTHWQNI-GFCCVEGCSA-N -1 0 310.353 3.671 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001589532221 987211388 /nfs/dbraw/zinc/21/13/88/987211388.db2.gz OPTORAOVGBAKSB-AFAVFJNCSA-N -1 0 309.365 3.617 20 0 DHADRM CCS[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC001597251258 987241082 /nfs/dbraw/zinc/24/10/82/987241082.db2.gz JVMKEQMADIBCNO-GFCCVEGCSA-N -1 0 315.822 3.754 20 0 DHADRM CC[C@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001594729639 987244555 /nfs/dbraw/zinc/24/45/55/987244555.db2.gz JOOBOMWSXQCVAV-HNNXBMFYSA-N -1 0 305.418 3.528 20 0 DHADRM CCS[C@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001597251822 987244846 /nfs/dbraw/zinc/24/48/46/987244846.db2.gz XMKMQLSOZPDVOX-MFKMUULPSA-N -1 0 314.403 3.668 20 0 DHADRM CC[C@@H](C(=O)N1CCCCC[C@@H]1C(=O)[O-])C1CCC(C)CC1 ZINC001594729705 987245190 /nfs/dbraw/zinc/24/51/90/987245190.db2.gz LDISOSVKIQAHAD-QDIHITRGSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC001589540609 987245883 /nfs/dbraw/zinc/24/58/83/987245883.db2.gz MROFMIFPGPCGSN-TVQRCGJNSA-N -1 0 314.328 3.501 20 0 DHADRM C[C@@H](C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589540684 987246572 /nfs/dbraw/zinc/24/65/72/987246572.db2.gz OVRSFIPVDCMXKJ-RNCFNFMXSA-N -1 0 314.328 3.501 20 0 DHADRM C[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCC1 ZINC001589542864 987255642 /nfs/dbraw/zinc/25/56/42/987255642.db2.gz HRSNRKOCSVJGMN-MEDUHNTESA-N -1 0 302.370 3.742 20 0 DHADRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589547987 987273229 /nfs/dbraw/zinc/27/32/29/987273229.db2.gz WBAWKIBWVVYJHS-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CC[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1)c1ccccc1 ZINC001594736439 987277107 /nfs/dbraw/zinc/27/71/07/987277107.db2.gz ZDJQYEVFNJONCB-CQSZACIVSA-N -1 0 312.369 3.529 20 0 DHADRM C[C@@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)[C@H](C)C(C)(C)C ZINC001589553181 987289200 /nfs/dbraw/zinc/28/92/00/987289200.db2.gz LCYZPWOZLRLXJK-NEPJUHHUSA-N -1 0 321.417 3.675 20 0 DHADRM CCSCc1cccc(NCc2cc(C(=O)[O-])c(C)n2C)c1 ZINC001597264893 987293041 /nfs/dbraw/zinc/29/30/41/987293041.db2.gz BXSBBRQARJVEQA-UHFFFAOYSA-N -1 0 318.442 3.897 20 0 DHADRM CCSCc1ccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597264914 987293102 /nfs/dbraw/zinc/29/31/02/987293102.db2.gz CXAHMVFJXRNMGL-UHFFFAOYSA-N -1 0 319.382 3.792 20 0 DHADRM CCSCc1cccnc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001597267807 987305960 /nfs/dbraw/zinc/30/59/60/987305960.db2.gz PZCCEIWWALDVIY-YRGRVCCFSA-N -1 0 308.447 3.636 20 0 DHADRM CC(C)(C(=O)N1CCc2c1cccc2C(=O)[O-])C1CCCCC1 ZINC001589564288 987327633 /nfs/dbraw/zinc/32/76/33/987327633.db2.gz RRMRCVGRPUQKAE-UHFFFAOYSA-N -1 0 315.413 3.880 20 0 DHADRM CCSc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001597276986 987330713 /nfs/dbraw/zinc/33/07/13/987330713.db2.gz AKNKMTROMULXMZ-UHFFFAOYSA-N -1 0 319.357 3.888 20 0 DHADRM CCSc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001597277495 987336238 /nfs/dbraw/zinc/33/62/38/987336238.db2.gz SOSPYQRNDJNDGK-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CCSc1ccccc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC001597279547 987343021 /nfs/dbraw/zinc/34/30/21/987343021.db2.gz KNNIOUQRINPONP-UHFFFAOYSA-N -1 0 320.366 3.755 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000262244601 1015305674 /nfs/dbraw/zinc/30/56/74/1015305674.db2.gz AWLUBDLCCIDPMT-CYBMUJFWSA-N -1 0 315.394 3.732 20 0 DHADRM CCc1[nH]c(C(=O)N2CCC[C@]2(C)CC(C)C)c(C)c1C(=O)[O-] ZINC001597361655 987521616 /nfs/dbraw/zinc/52/16/16/987521616.db2.gz UFKMQTAKVMYKQQ-GOSISDBHSA-N -1 0 320.433 3.625 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccccc2C(F)F)c(C)c1C(=O)[O-] ZINC001597374461 987561953 /nfs/dbraw/zinc/56/19/53/987561953.db2.gz NHQFAVJGRRMOBY-UHFFFAOYSA-N -1 0 322.311 3.774 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCCN2CCc3ccccc32)cc1 ZINC001589641157 987562912 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CC(C)(C)C(C)(C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589700552 987792961 /nfs/dbraw/zinc/79/29/61/987792961.db2.gz ZHUGTSYVLFEBHK-UHFFFAOYSA-N -1 0 302.374 3.877 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1coc2ccc(Cl)cc21 ZINC001589705360 987820067 /nfs/dbraw/zinc/82/00/67/987820067.db2.gz JEYSGFGODFSDAN-CYBMUJFWSA-N -1 0 323.776 3.705 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1cccs1 ZINC001597449302 987831667 /nfs/dbraw/zinc/83/16/67/987831667.db2.gz AHZJWFAHNJVQEK-VURMDHGXSA-N -1 0 301.367 3.661 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(c2ccccc2)CC1 ZINC001597449536 987833583 /nfs/dbraw/zinc/83/35/83/987833583.db2.gz GBVKSNUMNNMBQA-UHFFFAOYSA-N -1 0 309.365 3.618 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CC)CC(F)(F)F ZINC001597449776 987835748 /nfs/dbraw/zinc/83/57/48/987835748.db2.gz KNAGVRWZVKXUEC-JTQLQIEISA-N -1 0 317.307 3.864 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@H]1CC ZINC001597452265 987847766 /nfs/dbraw/zinc/84/77/66/987847766.db2.gz 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/nfs/dbraw/zinc/90/14/97/987901497.db2.gz YGGPIBCQAWFCPU-LLVKDONJSA-N -1 0 322.455 3.771 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(OC)c1C ZINC001597465406 987904431 /nfs/dbraw/zinc/90/44/31/987904431.db2.gz VWBWDYCCPBGYKK-UHFFFAOYSA-N -1 0 313.353 3.517 20 0 DHADRM CC(C)(C)C1CC(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001589726309 987908179 /nfs/dbraw/zinc/90/81/79/987908179.db2.gz IJZSNKJTTHHRDT-UHFFFAOYSA-N -1 0 324.808 3.984 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001597471541 987935250 /nfs/dbraw/zinc/93/52/50/987935250.db2.gz SEQZGSRAVGZJAJ-HOTGVXAUSA-N -1 0 317.429 3.949 20 0 DHADRM CC(C)(C)C1CCC(OC(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001589728661 987935481 /nfs/dbraw/zinc/93/54/81/987935481.db2.gz OBAGBAYCYKSCBQ-UHFFFAOYSA-N -1 0 305.374 3.542 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589729180 987941093 /nfs/dbraw/zinc/94/10/93/987941093.db2.gz VMPRXPXUEHRDGQ-UKRRQHHQSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589729183 987941132 /nfs/dbraw/zinc/94/11/32/987941132.db2.gz VMYIRYNPOPCKNS-DGCLKSJQSA-N -1 0 322.380 3.860 20 0 DHADRM CCc1cc(NC(=O)NCC2(CC(=O)[O-])CCCC2)ccc1F ZINC001597481798 987973463 /nfs/dbraw/zinc/97/34/63/987973463.db2.gz QNYIQTPTTKNSCT-UHFFFAOYSA-N -1 0 322.380 3.545 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001589742393 988017325 /nfs/dbraw/zinc/01/73/25/988017325.db2.gz QNPCFVXSQNDQLG-HNNXBMFYSA-N -1 0 319.445 3.651 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474429672 1015357454 /nfs/dbraw/zinc/35/74/54/1015357454.db2.gz HAUUVRMYMTWIHE-SNVBAGLBSA-N -1 0 317.788 3.965 20 0 DHADRM CCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474433225 1015358457 /nfs/dbraw/zinc/35/84/57/1015358457.db2.gz ULMNQMOVORIUQJ-UHFFFAOYSA-N -1 0 309.724 3.836 20 0 DHADRM CCc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001597508757 988088641 /nfs/dbraw/zinc/08/86/41/988088641.db2.gz UBNGREXDLFPCCB-UHFFFAOYSA-N -1 0 316.378 3.645 20 0 DHADRM CC(C)(C)C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC001589762122 988097718 /nfs/dbraw/zinc/09/77/18/988097718.db2.gz YDULWJHXOXBIQZ-NSHDSACASA-N -1 0 320.719 3.664 20 0 DHADRM CC(C)(C)CCCc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589774752 988135319 /nfs/dbraw/zinc/13/53/19/988135319.db2.gz WIKZIHMKEKAWSJ-UHFFFAOYSA-N -1 0 318.373 3.716 20 0 DHADRM CCc1ccc(CN(Cc2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC001597526355 988173503 /nfs/dbraw/zinc/17/35/03/988173503.db2.gz XHQSRIKJZWQLKJ-UHFFFAOYSA-N -1 0 316.426 3.568 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001589789247 988176324 /nfs/dbraw/zinc/17/63/24/988176324.db2.gz WGFIRNDNAYBWOT-DZGCQCFKSA-N -1 0 318.417 3.650 20 0 DHADRM CCc1ccc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001597530052 988178979 /nfs/dbraw/zinc/17/89/79/988178979.db2.gz BQFSHLLUQFSBOG-VLIAUNLRSA-N -1 0 324.424 3.611 20 0 DHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC001597530176 988181590 /nfs/dbraw/zinc/18/15/90/988181590.db2.gz LWANMJXZNIXLRN-HNNXBMFYSA-N -1 0 307.390 3.674 20 0 DHADRM CSCCc1ccccc1N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599801992 988192544 /nfs/dbraw/zinc/19/25/44/988192544.db2.gz OVPYNULPLQISBX-JTQLQIEISA-N -1 0 322.455 3.920 20 0 DHADRM CSCc1ccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599802408 988199029 /nfs/dbraw/zinc/19/90/29/988199029.db2.gz JHQIFYCEEXMNCQ-INIZCTEOSA-N -1 0 319.401 3.797 20 0 DHADRM CSCc1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599802825 988205325 /nfs/dbraw/zinc/20/53/25/988205325.db2.gz VMNNXYBKVIKZMX-SNVBAGLBSA-N -1 0 320.366 3.759 20 0 DHADRM CCc1ccc(NC(=O)Cc2cc3ccccc3o2)c(C(=O)[O-])c1 ZINC001597544294 988242495 /nfs/dbraw/zinc/24/24/95/988242495.db2.gz DXEUGERAPHOXNO-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CSc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599807411 988278051 /nfs/dbraw/zinc/27/80/51/988278051.db2.gz NUUFSKZSZXUUFT-VXGBXAGGSA-N -1 0 307.415 3.546 20 0 DHADRM CSc1cc(C)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001599808012 988288203 /nfs/dbraw/zinc/28/82/03/988288203.db2.gz VJXKMEKXZDAHTC-UHFFFAOYSA-N -1 0 319.426 3.691 20 0 DHADRM CSc1cc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)ccc1C ZINC001599808898 988300865 /nfs/dbraw/zinc/30/08/65/988300865.db2.gz PJTIGZAHOJONHB-AATRIKPKSA-N -1 0 317.366 3.660 20 0 DHADRM CSc1cc(N[C@@H](C)c2nc(C(=O)[O-])co2)ccc1Cl ZINC001599810004 988317702 /nfs/dbraw/zinc/31/77/02/988317702.db2.gz ZMPUCCLQWZJZND-ZETCQYMHSA-N -1 0 312.778 3.921 20 0 DHADRM CCc1ccc2occ(C(=O)Nc3ccccc3CC(=O)[O-])c2c1 ZINC001597570212 988339955 /nfs/dbraw/zinc/33/99/55/988339955.db2.gz AKFWSXMXKPZYLT-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CCc1ccc2ccccc2c1CNc1nc(C)cc(C(=O)[O-])n1 ZINC001597570261 988342253 /nfs/dbraw/zinc/34/22/53/988342253.db2.gz CFKCZESYBWXPNY-UHFFFAOYSA-N -1 0 321.380 3.811 20 0 DHADRM CCc1ccc2ccccc2c1CNc1ncc(C(=O)[O-])cn1 ZINC001597570577 988346722 /nfs/dbraw/zinc/34/67/22/988346722.db2.gz QHQYKEHHYZLWCD-UHFFFAOYSA-N -1 0 307.353 3.503 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001597575582 988360743 /nfs/dbraw/zinc/36/07/43/988360743.db2.gz AONJLMYASAYNBJ-OUCADQQQSA-N -1 0 303.402 3.958 20 0 DHADRM CSc1ccc(CSCc2ncccc2C(=O)[O-])cc1 ZINC001599815023 988407402 /nfs/dbraw/zinc/40/74/02/988407402.db2.gz SEIXIIPAPSNCTR-UHFFFAOYSA-N -1 0 305.424 3.935 20 0 DHADRM CSc1ccc(Cl)c(C(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC001599815036 988407550 /nfs/dbraw/zinc/40/75/50/988407550.db2.gz STSWEAGRWKXCKQ-UHFFFAOYSA-N -1 0 322.769 3.979 20 0 DHADRM CCc1cccc(OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001597597571 988444575 /nfs/dbraw/zinc/44/45/75/988444575.db2.gz AKBLUUICKBBRJP-UHFFFAOYSA-N -1 0 323.348 3.508 20 0 DHADRM CSc1ccc(NC(=O)NCCCCC2CC2)cc1C(=O)[O-] ZINC001599818224 988465422 /nfs/dbraw/zinc/46/54/22/988465422.db2.gz BYQCFNWRNSHEPS-UHFFFAOYSA-N -1 0 322.430 3.809 20 0 DHADRM CSc1ccc(NC(=O)[C@H]2CC[C@H](C)CC2)cc1C(=O)[O-] ZINC001599818814 988476905 /nfs/dbraw/zinc/47/69/05/988476905.db2.gz BAWBRYZIDMJDHF-XYPYZODXSA-N -1 0 307.415 3.872 20 0 DHADRM CSc1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1C(=O)[O-] ZINC001599819433 988486336 /nfs/dbraw/zinc/48/63/36/988486336.db2.gz QNHYNUJMYWRGNB-JTQLQIEISA-N -1 0 322.430 3.807 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001599820904 988511918 /nfs/dbraw/zinc/51/19/18/988511918.db2.gz GWDYBFAELXQPAP-UBHSHLNASA-N -1 0 322.426 3.904 20 0 DHADRM CSc1cccc(N(C)C(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001599822614 988540145 /nfs/dbraw/zinc/54/01/45/988540145.db2.gz VATOHNJOOHKLQR-UHFFFAOYSA-N -1 0 319.357 3.522 20 0 DHADRM CSc1cccc(N(C)C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599822811 988543812 /nfs/dbraw/zinc/54/38/12/988543812.db2.gz XCIWMNSTQMPQCH-UHFFFAOYSA-N -1 0 322.411 3.837 20 0 DHADRM CCc1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001597626433 988576464 /nfs/dbraw/zinc/57/64/64/988576464.db2.gz QYOMZQJCEUMFBW-LBPRGKRZSA-N -1 0 324.785 3.947 20 0 DHADRM CCc1cnc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001597627389 988582132 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CCc1nc(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)cs1 ZINC001597669803 988760849 /nfs/dbraw/zinc/76/08/49/988760849.db2.gz IBTACINBIBUIHL-HNNXBMFYSA-N -1 0 316.426 3.571 20 0 DHADRM CCc1nc(NC(=O)c2cc(C)cc(Cl)c2)sc1C(=O)[O-] ZINC001597682053 988818824 /nfs/dbraw/zinc/81/88/24/988818824.db2.gz OXWXXKQHUBTMKR-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CCc1nc(Sc2nc(Cl)c(C(=O)[O-])s2)sc1C ZINC001597689321 988858372 /nfs/dbraw/zinc/85/83/72/988858372.db2.gz ISANURJJUDNTDY-UHFFFAOYSA-N -1 0 320.848 3.973 20 0 DHADRM C[C@@H]1CCN(Cc2cc(C(=O)[O-])cs2)[C@H](C(F)(F)F)C1 ZINC001599848205 988968950 /nfs/dbraw/zinc/96/89/50/988968950.db2.gz GVSUKDNEOUMSPU-KCJUWKMLSA-N -1 0 307.337 3.609 20 0 DHADRM CCc1noc(C)c1CN1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001597742273 989106224 /nfs/dbraw/zinc/10/62/24/989106224.db2.gz MRMMOEYULNCHQJ-UHFFFAOYSA-N -1 0 314.385 3.505 20 0 DHADRM CCc1oc(CN2CCc3cc(Cl)ccc3C2)cc1C(=O)[O-] ZINC001597799123 989377755 /nfs/dbraw/zinc/37/77/55/989377755.db2.gz NBAPAQVBUNPSMT-UHFFFAOYSA-N -1 0 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CC(C)CC(CC(C)C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591142860 991867324 /nfs/dbraw/zinc/86/73/24/991867324.db2.gz LDQGRJHPCASCCS-UHFFFAOYSA-N -1 0 311.466 3.989 20 0 DHADRM CN(C/C=C/Cl)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598467803 991979229 /nfs/dbraw/zinc/97/92/29/991979229.db2.gz CLNYREAGPAHOAP-GQOHGMTASA-N -1 0 308.592 3.803 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591223131 992095368 /nfs/dbraw/zinc/09/53/68/992095368.db2.gz XMZYQSRTICCDRH-OKFNSAOFSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)CCC1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001591227377 992098229 /nfs/dbraw/zinc/09/82/29/992098229.db2.gz FDMXXJYEZOBQTO-JKSUJKDBSA-N -1 0 309.450 3.552 20 0 DHADRM CC(C)CCCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001591229423 992111930 /nfs/dbraw/zinc/11/19/30/992111930.db2.gz QRTKCFXLDFRSGT-UHFFFAOYSA-N -1 0 309.381 3.850 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001591229459 992112066 /nfs/dbraw/zinc/11/20/66/992112066.db2.gz 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CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cccs1 ZINC000616023038 1022618259 /nfs/dbraw/zinc/61/82/59/1022618259.db2.gz QRYKFUHPKUZOCG-MJBXVCDLSA-N -1 0 321.442 3.619 20 0 DHADRM CC[C@@H](C)Oc1ccccc1-c1cc(C(=O)[O-])c(C)[nH]c1=O ZINC000584730681 1022671579 /nfs/dbraw/zinc/67/15/79/1022671579.db2.gz BKNOERRQNJWPJH-SNVBAGLBSA-N -1 0 301.342 3.638 20 0 DHADRM CC(C)Cc1nnc(NC(=O)c2cscc2Cl)s1 ZINC000630799240 1022687630 /nfs/dbraw/zinc/68/76/30/1022687630.db2.gz FSXXZUSZOVDGGM-UHFFFAOYSA-N -1 0 301.824 3.704 20 0 DHADRM [O-]c1c(Cl)cccc1-c1ccc(C(F)(F)F)n2ncnc12 ZINC001242366922 1022738247 /nfs/dbraw/zinc/73/82/47/1022738247.db2.gz FOYFEEUPXFLELL-UHFFFAOYSA-N -1 0 313.666 3.774 20 0 DHADRM CC(C)c1cnc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417528778 1022773387 /nfs/dbraw/zinc/77/33/87/1022773387.db2.gz FPRZRUQRZHJODB-LLVKDONJSA-N -1 0 310.444 3.634 20 0 DHADRM Cc1ccc([C@@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])cc1 ZINC000417541507 1022773694 /nfs/dbraw/zinc/77/36/94/1022773694.db2.gz 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ZINC000042676839 1022819931 /nfs/dbraw/zinc/81/99/31/1022819931.db2.gz PDOSGCXOYFNNEF-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM CC(C)CCc1nnc(NC(=O)c2cnc(C(C)C)s2)s1 ZINC000617095588 1022843903 /nfs/dbraw/zinc/84/39/03/1022843903.db2.gz VHWHZSFSXGFRLQ-UHFFFAOYSA-N -1 0 324.475 3.959 20 0 DHADRM Cc1cc(-c2ccccc2S(=O)(=O)[O-])ccc1C(F)(F)F ZINC001242422909 1022855466 /nfs/dbraw/zinc/85/54/66/1022855466.db2.gz AEYGOLDQHCWYAJ-UHFFFAOYSA-N -1 0 316.300 3.928 20 0 DHADRM CC(C)CCCCCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000856994221 1022918849 /nfs/dbraw/zinc/91/88/49/1022918849.db2.gz TWGQFGWJGKQPRS-NSHDSACASA-N -1 0 312.435 3.625 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(c2ccco2)CC1 ZINC000617380006 1022932943 /nfs/dbraw/zinc/93/29/43/1022932943.db2.gz UQCBVIWDEOQAFZ-UHFFFAOYSA-N -1 0 305.761 3.658 20 0 DHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000768283852 1022939168 /nfs/dbraw/zinc/93/91/68/1022939168.db2.gz VUGYMCGOENCTCZ-MDZDMXLPSA-N -1 0 321.373 3.555 20 0 DHADRM Cc1ccc(Br)nc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211655024 1022943067 /nfs/dbraw/zinc/94/30/67/1022943067.db2.gz KPSQOFLWPSEHDS-UHFFFAOYSA-N -1 0 321.174 3.903 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1ncccc1C(F)(F)F ZINC000671162846 1022990832 /nfs/dbraw/zinc/99/08/32/1022990832.db2.gz CIYYVQSKUILICL-UHFFFAOYSA-N -1 0 324.302 3.973 20 0 DHADRM Cc1oc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2c1C ZINC000263580382 1023023521 /nfs/dbraw/zinc/02/35/21/1023023521.db2.gz VXCKHKJWOOETQB-CHWSQXEVSA-N -1 0 315.369 3.879 20 0 DHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[N-]OCCC1CC1 ZINC000857512563 1023025079 /nfs/dbraw/zinc/02/50/79/1023025079.db2.gz PVAOQYWVARLGIS-AWEZNQCLSA-N -1 0 305.418 3.734 20 0 DHADRM Cc1ccnc(NC(=O)c2ccc([O-])c(Cl)c2)c1C1CC1 ZINC000622151434 1023052280 /nfs/dbraw/zinc/05/22/80/1023052280.db2.gz KSSCCKOFTGFCCF-UHFFFAOYSA-N -1 0 302.761 3.879 20 0 DHADRM C[C@@H]1c2ccsc2CCN1C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000386835038 1023079593 /nfs/dbraw/zinc/07/95/93/1023079593.db2.gz 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CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)nc2C)c1 ZINC000812704849 1027366787 /nfs/dbraw/zinc/36/67/87/1027366787.db2.gz SMEOUCKTCYFPLA-UHFFFAOYSA-N -1 0 318.760 3.594 20 0 DHADRM C[C@H](CCCC(F)(F)F)N=c1[n-]c(C(F)(F)F)ns1 ZINC000574908253 1027436446 /nfs/dbraw/zinc/43/64/46/1027436446.db2.gz BJADZMJYKNUANJ-RXMQYKEDSA-N -1 0 307.263 3.512 20 0 DHADRM CCCn1nc(C)c(-c2nc(C(=O)[O-])c(C3CC3)s2)c1C ZINC000575330891 1027474674 /nfs/dbraw/zinc/47/46/74/1027474674.db2.gz HXBLHTPMNXJVAR-UHFFFAOYSA-N -1 0 305.403 3.609 20 0 DHADRM Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)c1C ZINC000577078187 1027705654 /nfs/dbraw/zinc/70/56/54/1027705654.db2.gz TXUHBRYWDZWSGD-GOSISDBHSA-N -1 0 323.392 3.660 20 0 DHADRM COC1CCC(CN=c2nc(-c3ccccc3C)[n-]s2)CC1 ZINC000527917490 1027969203 /nfs/dbraw/zinc/96/92/03/1027969203.db2.gz XJSPGJBJFNANHG-UHFFFAOYSA-N -1 0 317.458 3.553 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)cc(F)c1[O-] ZINC000934337506 1027971000 /nfs/dbraw/zinc/97/10/00/1027971000.db2.gz JJYZYXQBVYZKGZ-FZMZJTMJSA-N -1 0 317.335 3.689 20 0 DHADRM C[C@H](ONC(=O)C[C@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633520 1027984988 /nfs/dbraw/zinc/98/49/88/1027984988.db2.gz IDFUQGGEXBMWSZ-SWLSCSKDSA-N -1 0 317.410 3.561 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])C1(c2cccnc2)CCCC1 ZINC000365897601 1028027926 /nfs/dbraw/zinc/02/79/26/1028027926.db2.gz RWCRPRQEWVBYMV-UHFFFAOYSA-N -1 0 316.788 3.891 20 0 DHADRM Cc1oc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076507 1028041806 /nfs/dbraw/zinc/04/18/06/1028041806.db2.gz LHHAXJZCWBTYIE-LLVKDONJSA-N -1 0 324.380 3.887 20 0 DHADRM COCc1cc(-c2cc(C(=O)[O-])c(OC)cc2C)ccc1OC ZINC000578247645 1028101137 /nfs/dbraw/zinc/10/11/37/1028101137.db2.gz BZKCDQBHHDCMLT-UHFFFAOYSA-N -1 0 316.353 3.524 20 0 DHADRM Oc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000779070149 1028150115 /nfs/dbraw/zinc/15/01/15/1028150115.db2.gz DFTFNFSIWYVOLT-IBGZPJMESA-N -1 0 308.356 3.806 20 0 DHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000048577808 1028153323 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CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000367996570 1028272434 /nfs/dbraw/zinc/27/24/34/1028272434.db2.gz HYASHGMNYMUJAC-IAGOWNOFSA-N -1 0 317.429 3.735 20 0 DHADRM CCN(C(=O)c1cccc(F)c1[O-])[C@H](C)Cc1ccsc1 ZINC000935502532 1028295515 /nfs/dbraw/zinc/29/55/15/1028295515.db2.gz ITVKXROIPGHPAX-LLVKDONJSA-N -1 0 307.390 3.686 20 0 DHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(F)c1[O-] ZINC000935680002 1028362083 /nfs/dbraw/zinc/36/20/83/1028362083.db2.gz FPYPKXCHUXEVJQ-ZDUSSCGKSA-N -1 0 301.361 3.543 20 0 DHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCCCc2sccc21 ZINC000935789688 1028398806 /nfs/dbraw/zinc/39/88/06/1028398806.db2.gz LKZPTZSJIQRLBO-UHFFFAOYSA-N -1 0 309.337 3.715 20 0 DHADRM CCn1nc(CNc2cc(C(=O)[O-])c(C)cc2C)c2ccccc21 ZINC000579502915 1028424643 /nfs/dbraw/zinc/42/46/43/1028424643.db2.gz QQFQROPLJMMLDM-UHFFFAOYSA-N -1 0 323.396 3.983 20 0 DHADRM Cc1nc(C(C)C)ccc1COC(=O)c1cc(F)c([O-])c(F)c1 ZINC000815214827 1028432486 /nfs/dbraw/zinc/43/24/86/1028432486.db2.gz 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O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000263478514 1031199013 /nfs/dbraw/zinc/19/90/13/1031199013.db2.gz ZUVZYXDILLMMHA-MWDXBVQZSA-N -1 0 321.461 3.839 20 0 DHADRM C[C@@H]([N-]c1nnc(C(F)F)o1)c1nc(C(F)(F)F)cs1 ZINC000293092627 1031325431 /nfs/dbraw/zinc/32/54/31/1031325431.db2.gz OPDAJPHPCUNUMM-GSVOUGTGSA-N -1 0 314.239 3.656 20 0 DHADRM Cc1ccccc1[C@H](NCc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000871883336 1031371087 /nfs/dbraw/zinc/37/10/87/1031371087.db2.gz KHVGEQMUPPJVMT-HNNXBMFYSA-N -1 0 316.426 3.635 20 0 DHADRM CC(C)CCc1cc(=O)n(-c2nnc(-c3ccccc3)s2)[n-]1 ZINC000871949227 1031384861 /nfs/dbraw/zinc/38/48/61/1031384861.db2.gz RYBDQVXBGVRMQT-UHFFFAOYSA-N -1 0 314.414 3.734 20 0 DHADRM CC1(C)CCc2c([n-]n(-c3ncc(Cl)cc3Cl)c2=O)C1 ZINC000871940218 1031387071 /nfs/dbraw/zinc/38/70/71/1031387071.db2.gz FXZXSLHMISVQOL-VIFPVBQESA-N -1 0 312.200 3.917 20 0 DHADRM CC1(C)CCc2c([n-]n(-c3nc(C(F)(F)F)cs3)c2=O)C1 ZINC000871959241 1031389445 /nfs/dbraw/zinc/38/94/45/1031389445.db2.gz 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324.833 3.715 20 0 DHADRM O=S(=O)([N-]c1cccc2cnccc21)c1ccc(Cl)s1 ZINC000554342486 1034103760 /nfs/dbraw/zinc/10/37/60/1034103760.db2.gz FUJHLFVPTKSYBQ-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC000554605570 1034233705 /nfs/dbraw/zinc/23/37/05/1034233705.db2.gz UVYRINGVQIWEOZ-CQSZACIVSA-N -1 0 322.405 3.547 20 0 DHADRM CSc1cc(C(=O)[O-])ccc1NC(=O)N(C)CC(C)(C)C ZINC000554699945 1034271945 /nfs/dbraw/zinc/27/19/45/1034271945.db2.gz LJCDIYFOJVJAER-UHFFFAOYSA-N -1 0 310.419 3.617 20 0 DHADRM Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000864109954 1034291486 /nfs/dbraw/zinc/29/14/86/1034291486.db2.gz FEUKEWQKVDDGFQ-UHFFFAOYSA-N -1 0 315.413 3.880 20 0 DHADRM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC000864109406 1034292934 /nfs/dbraw/zinc/29/29/34/1034292934.db2.gz RNCIOLDGFXIRRE-AAEUAGOBSA-N -1 0 303.402 3.732 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000864122388 1034295133 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CC[C@H](Sc1ccccc1)C(=O)[N-]OCc1cccc(C)n1 ZINC000898936102 1034337297 /nfs/dbraw/zinc/33/72/97/1034337297.db2.gz RNFOLVWYIJEKCW-INIZCTEOSA-N -1 0 316.426 3.509 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC000777371784 1034346927 /nfs/dbraw/zinc/34/69/27/1034346927.db2.gz CTTOKJIWVYCQCY-INIZCTEOSA-N -1 0 324.446 3.564 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000777371779 1034347078 /nfs/dbraw/zinc/34/70/78/1034347078.db2.gz COBUNSRPUVYVEE-QGZVFWFLSA-N -1 0 324.421 3.516 20 0 DHADRM Cc1c(Cl)cccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000864515699 1034368960 /nfs/dbraw/zinc/36/89/60/1034368960.db2.gz BMMHVJAQIRGCAC-SECBINFHSA-N -1 0 310.806 3.654 20 0 DHADRM CC(C)(C)c1csc(CN[C@H](CC2CCCCC2)C(=O)[O-])n1 ZINC000864513316 1034369489 /nfs/dbraw/zinc/36/94/89/1034369489.db2.gz ZXODKCHCZWEOPL-CYBMUJFWSA-N -1 0 324.490 3.954 20 0 DHADRM C[C@@H](c1ccco1)N(C(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000183469743 1034390622 /nfs/dbraw/zinc/39/06/22/1034390622.db2.gz 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1034412655 /nfs/dbraw/zinc/41/26/55/1034412655.db2.gz LILVMRNKNWQZMY-AATRIKPKSA-N -1 0 304.733 3.585 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(Cl)c(CO)c2)c1 ZINC001174500390 1034416015 /nfs/dbraw/zinc/41/60/15/1034416015.db2.gz QKPNQKVSXACVER-QPJJXVBHSA-N -1 0 303.745 3.674 20 0 DHADRM Cc1c(C)n(-c2cccc(/C=C/C(=O)[O-])c2)c2c1cccc2N ZINC001174497578 1034416192 /nfs/dbraw/zinc/41/61/92/1034416192.db2.gz YSHNFEZUKUMFFI-MDZDMXLPSA-N -1 0 306.365 3.927 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(-c3nnco3)cc2)c1 ZINC001174496649 1034416341 /nfs/dbraw/zinc/41/63/41/1034416341.db2.gz ROEMEFCLFITLRH-RUDMXATFSA-N -1 0 307.309 3.578 20 0 DHADRM Cc1noc(-c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2)n1 ZINC001174499637 1034417202 /nfs/dbraw/zinc/41/72/02/1034417202.db2.gz HKWYAFFOEQHGKZ-BJMVGYQFSA-N -1 0 321.336 3.886 20 0 DHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000184207547 1034452034 /nfs/dbraw/zinc/45/20/34/1034452034.db2.gz HTGQAESXFJDJSD-ZYHUDNBSSA-N -1 0 320.414 3.650 20 0 DHADRM O=C(N[C@@H]1CCCc2occc21)c1cc(F)c([O-])c(Cl)c1 ZINC000184236145 1034455125 /nfs/dbraw/zinc/45/51/25/1034455125.db2.gz DAAXKUSVQYGWLK-GFCCVEGCSA-N -1 0 309.724 3.585 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)nc1Cl ZINC001174671151 1034540509 /nfs/dbraw/zinc/54/05/09/1034540509.db2.gz UINIMJZSURXGIQ-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(F)cc2cccnc21 ZINC001174676589 1034543211 /nfs/dbraw/zinc/54/32/11/1034543211.db2.gz NUSJHXVNWNONQT-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(N)cc(Cl)cc1F ZINC001174674966 1034543232 /nfs/dbraw/zinc/54/32/32/1034543232.db2.gz CEKWFGVDFBHUQR-UHFFFAOYSA-N -1 0 310.712 3.512 20 0 DHADRM CCCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174678017 1034544687 /nfs/dbraw/zinc/54/46/87/1034544687.db2.gz WVHKOTWFPKDYTL-UHFFFAOYSA-N -1 0 301.342 3.926 20 0 DHADRM COc1cc(Nc2cnc3cccc(F)c3c2)ccc1C(=O)[O-] ZINC001174684207 1034546952 /nfs/dbraw/zinc/54/69/52/1034546952.db2.gz GNVCWQKDSUXOFW-UHFFFAOYSA-N -1 0 312.300 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318.423 3.714 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000431454174 338131077 /nfs/dbraw/zinc/13/10/77/338131077.db2.gz BFYYZXQIOUBJCK-UHFFFAOYSA-N -1 0 324.380 3.694 20 0 DHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)CCCc1ccccc1 ZINC000431465541 338131317 /nfs/dbraw/zinc/13/13/17/338131317.db2.gz OMPSDPVCJPGXSK-INIZCTEOSA-N -1 0 319.445 3.605 20 0 DHADRM CC(C)C[C@H](CNC(=O)[C@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000431539691 338133295 /nfs/dbraw/zinc/13/32/95/338133295.db2.gz RPMAGKPTRBPBFX-NVXWUHKLSA-N -1 0 319.445 3.509 20 0 DHADRM Cc1noc(C)c1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431551026 338133632 /nfs/dbraw/zinc/13/36/32/338133632.db2.gz SLIABZOCRCLXFY-GQCTYLIASA-N -1 0 300.339 3.770 20 0 DHADRM CCC(CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431773718 338138503 /nfs/dbraw/zinc/13/85/03/338138503.db2.gz QBIDPJMFENKIKH-CQSZACIVSA-N -1 0 315.772 3.547 20 0 DHADRM C[C@@H]1C[C@H](C(=O)Nc2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC000431804587 338139130 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C[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000432111035 338145937 /nfs/dbraw/zinc/14/59/37/338145937.db2.gz JRGSHQSAVGNGBI-ZDUSSCGKSA-N -1 0 309.365 3.929 20 0 DHADRM CCc1ccc([C@H](C)C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432111342 338145943 /nfs/dbraw/zinc/14/59/43/338145943.db2.gz ZKHURBACYCVZHU-CRFBAAHOSA-N -1 0 317.429 3.502 20 0 DHADRM CCC1(CC)CN(C(=O)CC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000432118327 338146176 /nfs/dbraw/zinc/14/61/76/338146176.db2.gz WEDRYSDBMJTJRM-UHFFFAOYSA-N -1 0 315.413 3.736 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000432129645 338146444 /nfs/dbraw/zinc/14/64/44/338146444.db2.gz MJKQWDKLQXPDLF-YUIUBULTSA-N -1 0 321.376 3.703 20 0 DHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cc(F)cc(Cl)c1 ZINC000432615050 338160912 /nfs/dbraw/zinc/16/09/12/338160912.db2.gz GPJRNJFSQHMDKP-UHFFFAOYSA-N -1 0 324.764 3.761 20 0 DHADRM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000435976931 338254889 /nfs/dbraw/zinc/25/48/89/338254889.db2.gz 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CC(C)n1cc2ccc(NC(=O)c3c([O-])cccc3F)cc2n1 ZINC000436608176 338279739 /nfs/dbraw/zinc/27/97/39/338279739.db2.gz PRJIJWHOJAARPH-UHFFFAOYSA-N -1 0 313.332 3.714 20 0 DHADRM CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000436633158 338280718 /nfs/dbraw/zinc/28/07/18/338280718.db2.gz FYLPTTGPTMIWGJ-HNNXBMFYSA-N -1 0 305.324 3.798 20 0 DHADRM Cc1cccc(C(C)(C)CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436632963 338280720 /nfs/dbraw/zinc/28/07/20/338280720.db2.gz HMNKKEBRRICZIW-UHFFFAOYSA-N -1 0 319.351 3.686 20 0 DHADRM [O-]c1c(-c2nc(-c3ccncn3)no2)cc(Cl)c2ccccc12 ZINC000436638472 338281054 /nfs/dbraw/zinc/28/10/54/338281054.db2.gz FBGDUPMFIUJDCC-UHFFFAOYSA-N -1 0 324.727 3.706 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc(C)cc2OC)c1 ZINC000436645487 338281345 /nfs/dbraw/zinc/28/13/45/338281345.db2.gz MDZQIEKUVSBOJJ-UHFFFAOYSA-N -1 0 319.382 3.616 20 0 DHADRM O=C([O-])c1ccc2nc(/C=C/c3ccc(O)c(F)c3)ccc2c1 ZINC000436662984 338281960 /nfs/dbraw/zinc/28/19/60/338281960.db2.gz 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DHADRM CC(C)(C)CCCC(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448990061 338581896 /nfs/dbraw/zinc/58/18/96/338581896.db2.gz GJXYBFRLIMVRAI-GOSISDBHSA-N -1 0 323.408 3.501 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000450445287 338684760 /nfs/dbraw/zinc/68/47/60/338684760.db2.gz ZMFQROWJKURULJ-SECBINFHSA-N -1 0 303.280 3.512 20 0 DHADRM COCc1nc(=N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951274 338714014 /nfs/dbraw/zinc/71/40/14/338714014.db2.gz PJTRUFKMCFHILB-DGCLKSJQSA-N -1 0 323.849 3.508 20 0 DHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000450969515 338715021 /nfs/dbraw/zinc/71/50/21/338715021.db2.gz MECGZCVHEGPVMM-UHFFFAOYSA-N -1 0 322.455 3.579 20 0 DHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000451006104 338716909 /nfs/dbraw/zinc/71/69/09/338716909.db2.gz ZSZATJAGBJSLIK-NSHDSACASA-N -1 0 311.428 3.565 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)s1 ZINC000451101749 338721103 /nfs/dbraw/zinc/72/11/03/338721103.db2.gz 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ZINC000466557425 339209179 /nfs/dbraw/zinc/20/91/79/339209179.db2.gz VWUKWCQEGFKWHM-UHFFFAOYSA-N -1 0 322.459 3.723 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000467950742 339249779 /nfs/dbraw/zinc/24/97/79/339249779.db2.gz ZDDUMEOQRAEDBZ-GFCCVEGCSA-N -1 0 315.344 3.585 20 0 DHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000468957132 339275914 /nfs/dbraw/zinc/27/59/14/339275914.db2.gz MXPPJQNMYPFWEZ-UHFFFAOYSA-N -1 0 323.389 3.630 20 0 DHADRM CCCC1(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)CC1 ZINC000469882012 339303404 /nfs/dbraw/zinc/30/34/04/339303404.db2.gz CCSKUSSSYFHGFF-QGZVFWFLSA-N -1 0 309.450 3.744 20 0 DHADRM CC(C)[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccccc1 ZINC000470028365 339309062 /nfs/dbraw/zinc/30/90/62/339309062.db2.gz KCDOWJDANJSURC-JTQLQIEISA-N -1 0 301.337 3.788 20 0 DHADRM CCCOc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1OC ZINC000470266770 339315657 /nfs/dbraw/zinc/31/56/57/339315657.db2.gz MCKKYYMCNCDVKT-XQRVVYSFSA-N -1 0 313.353 3.748 20 0 DHADRM 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ZINC000568246174 341660852 /nfs/dbraw/zinc/66/08/52/341660852.db2.gz HGEDYSCSJIDXGD-XIKOKIGWSA-N -1 0 321.392 3.674 20 0 DHADRM O=C([O-])c1occc1-c1ccc(OC[C@H]2CCCCO2)cc1 ZINC000568265460 341662100 /nfs/dbraw/zinc/66/21/00/341662100.db2.gz YGFYKPAXKRCLPB-CQSZACIVSA-N -1 0 302.326 3.593 20 0 DHADRM Cc1sc(C(=O)[O-])cc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000568265821 341662215 /nfs/dbraw/zinc/66/22/15/341662215.db2.gz DGBSPYXZYHFSIZ-CYBMUJFWSA-N -1 0 304.367 3.589 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000315811553 341664104 /nfs/dbraw/zinc/66/41/04/341664104.db2.gz FPRCXWUIIZOWQO-ZFWWWQNUSA-N -1 0 305.418 3.781 20 0 DHADRM Cc1ccc(C[C@H](Sc2nnc(C(C)C)s2)C(=O)[O-])cc1 ZINC000568532842 341674253 /nfs/dbraw/zinc/67/42/53/341674253.db2.gz FOENAKZSGFHZBT-LBPRGKRZSA-N -1 0 322.455 3.758 20 0 DHADRM CCOc1cc2nccc(SCCC(=O)[O-])c2cc1OCC ZINC000573614061 341733643 /nfs/dbraw/zinc/73/36/43/341733643.db2.gz RONCAUGPDVKQTI-UHFFFAOYSA-N -1 0 321.398 3.599 20 0 DHADRM CCCCc1ccc(NC(=O)N([C@H](CC)C(=O)[O-])C2CC2)cc1 ZINC000574023072 341746276 /nfs/dbraw/zinc/74/62/76/341746276.db2.gz PTPSJTJJOPKMDG-MRXNPFEDSA-N -1 0 318.417 3.889 20 0 DHADRM Cc1c2ccccc2nc(N2CCC(C(F)F)CC2)c1C(=O)[O-] ZINC000574522165 341761032 /nfs/dbraw/zinc/76/10/32/341761032.db2.gz QECADMRRELREEB-UHFFFAOYSA-N -1 0 320.339 3.723 20 0 DHADRM CCCSCc1cccc(-c2c(C(=O)[O-])c(C)nn2C)c1 ZINC000575137624 341780818 /nfs/dbraw/zinc/78/08/18/341780818.db2.gz BHDGNPDKNPVMHQ-UHFFFAOYSA-N -1 0 304.415 3.737 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000575196416 341784949 /nfs/dbraw/zinc/78/49/49/341784949.db2.gz LSGWVOALPKICAR-KBPBESRZSA-N -1 0 314.381 3.955 20 0 DHADRM Cc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1F ZINC000172555132 341801117 /nfs/dbraw/zinc/80/11/17/341801117.db2.gz CQGDJUCEPCXPPJ-VOTSOKGWSA-N -1 0 300.333 3.916 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC000576330674 341840746 /nfs/dbraw/zinc/84/07/46/341840746.db2.gz 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CC(C)n1cnc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000337001128 520045027 /nfs/dbraw/zinc/04/50/27/520045027.db2.gz SUCIPGXCMHLNSZ-UHFFFAOYSA-N -1 0 314.172 3.729 20 0 DHADRM CC1(C)CC[C@@](NCc2ccsc2)(C(=O)[O-])c2ccccc21 ZINC000336852017 520398567 /nfs/dbraw/zinc/39/85/67/520398567.db2.gz HQPHZUIVSFAKNS-SFHVURJKSA-N -1 0 315.438 3.889 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000179974816 520399024 /nfs/dbraw/zinc/39/90/24/520399024.db2.gz NERRWVWGLROTNB-KBPBESRZSA-N -1 0 319.401 3.613 20 0 DHADRM CCCCOc1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000194402227 520905429 /nfs/dbraw/zinc/90/54/29/520905429.db2.gz DFZSZFVYSNOJQX-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM CCCCOc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179954941 520915521 /nfs/dbraw/zinc/91/55/21/520915521.db2.gz PHPGRKMCUQQIAH-ZIAGYGMSSA-N -1 0 319.401 3.695 20 0 DHADRM CCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000246052109 521142378 /nfs/dbraw/zinc/14/23/78/521142378.db2.gz 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600966225 /nfs/dbraw/zinc/96/62/25/600966225.db2.gz QSLIHBOLNPCAAU-JTQLQIEISA-N -1 0 322.430 3.807 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000829237822 600967803 /nfs/dbraw/zinc/96/78/03/600967803.db2.gz GJIXHKYMTZXFDM-KRWDZBQOSA-N -1 0 304.390 3.819 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])o1 ZINC000832923292 600970725 /nfs/dbraw/zinc/97/07/25/600970725.db2.gz GUUUHDKRRGOYRO-SECBINFHSA-N -1 0 307.733 3.682 20 0 DHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237808651 600981989 /nfs/dbraw/zinc/98/19/89/600981989.db2.gz BUZLQWOCMHBJLZ-UHFFFAOYSA-N -1 0 323.270 3.964 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2ccc(OCC(F)F)cc2)s1 ZINC000358000219 600983059 /nfs/dbraw/zinc/98/30/59/600983059.db2.gz HSWZZHDMVBEVQS-UTCJRWHESA-N -1 0 311.309 3.656 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CCC[C@@H]1c1ccsc1 ZINC000570403741 600988192 /nfs/dbraw/zinc/98/81/92/600988192.db2.gz SUFCIMMIRGFUJU-CABCVRRESA-N -1 0 305.374 3.850 20 0 DHADRM Cc1nc(SCCOc2cccc(C(=O)[O-])c2)sc1C ZINC000738868821 600991962 /nfs/dbraw/zinc/99/19/62/600991962.db2.gz AYYLIGAUYAAOED-UHFFFAOYSA-N -1 0 309.412 3.629 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000738682701 600993404 /nfs/dbraw/zinc/99/34/04/600993404.db2.gz CXTWCNLNUWNZLR-CQSZACIVSA-N -1 0 313.378 3.603 20 0 DHADRM Cn1c(C(=O)Nc2ccccc2C(=O)[O-])ccc1-c1ccccc1 ZINC000739013087 600993534 /nfs/dbraw/zinc/99/35/34/600993534.db2.gz VJFCANMOESWKKP-UHFFFAOYSA-N -1 0 320.348 3.643 20 0 DHADRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736222788 600993964 /nfs/dbraw/zinc/99/39/64/600993964.db2.gz GMTTUJZEEPFTDO-JTQLQIEISA-N -1 0 304.729 3.747 20 0 DHADRM Cc1ccc2[nH]cc(CCC(=O)Oc3ccc(C(=O)[O-])cc3)c2c1 ZINC000832959025 600995785 /nfs/dbraw/zinc/99/57/85/600995785.db2.gz ALRVTEOPKQAJQH-UHFFFAOYSA-N -1 0 323.348 3.713 20 0 DHADRM Cc1cc(NC(=O)[C@@H](C)c2cccc(F)c2)sc1C(=O)[O-] ZINC000738234233 600996770 /nfs/dbraw/zinc/99/67/70/600996770.db2.gz IUVUOKGEKCSBMJ-VIFPVBQESA-N 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/nfs/dbraw/zinc/02/64/28/601026428.db2.gz IAYZENWFGXFUCN-XHDPSFHLSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736402715 601026815 /nfs/dbraw/zinc/02/68/15/601026815.db2.gz XZZXFJAEHIXOMU-CYBMUJFWSA-N -1 0 309.381 3.706 20 0 DHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828239198 601037374 /nfs/dbraw/zinc/03/73/74/601037374.db2.gz MZCLHMOMDFRSAZ-WDEREUQCSA-N -1 0 323.368 3.958 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000736776557 601041701 /nfs/dbraw/zinc/04/17/01/601041701.db2.gz WBGAJUTTYPEAIA-MNOVXSKESA-N -1 0 322.430 3.553 20 0 DHADRM O=C([O-])c1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000833312273 601047801 /nfs/dbraw/zinc/04/78/01/601047801.db2.gz AEUASACZWDCTSZ-MRXNPFEDSA-N -1 0 301.773 3.985 20 0 DHADRM C[C@@H](CN(C/C(Cl)=C/Cl)Cc1ccccc1)C(=O)[O-] ZINC000827450604 601054327 /nfs/dbraw/zinc/05/43/27/601054327.db2.gz YOVSKUWJKXGXHY-HKMIMPICSA-N -1 0 302.201 3.528 20 0 DHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000833350906 601057787 /nfs/dbraw/zinc/05/77/87/601057787.db2.gz GXMROTNGCMUCME-HNNXBMFYSA-N -1 0 314.268 3.555 20 0 DHADRM CC[C@@H](C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828699811 601070659 /nfs/dbraw/zinc/07/06/59/601070659.db2.gz AVLGBNGJGKASTF-SNVBAGLBSA-N -1 0 319.382 3.598 20 0 DHADRM O=C([O-])[C@H](OC(=O)CCCc1cccs1)c1ccccc1F ZINC000833099017 601073103 /nfs/dbraw/zinc/07/31/03/601073103.db2.gz FYTAZBPQNIELSV-OAHLLOKOSA-N -1 0 322.357 3.579 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000388109823 601096883 /nfs/dbraw/zinc/09/68/83/601096883.db2.gz YVMIONBGWWWQMT-UHFFFAOYSA-N -1 0 306.406 3.703 20 0 DHADRM C/C(=C/CSc1nccn1-c1cc(C)cc(C)c1)C(=O)[O-] ZINC000736121047 601097778 /nfs/dbraw/zinc/09/77/78/601097778.db2.gz IQXOHHHNULJYOF-PQMHYQBVSA-N -1 0 302.399 3.612 20 0 DHADRM C/C(=C/CSc1nn(-c2ccccc2)c(=S)s1)C(=O)[O-] ZINC000736122531 601098436 /nfs/dbraw/zinc/09/84/36/601098436.db2.gz WKXFYOYUAUXSQJ-CLFYSBASSA-N 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O=C([O-])CC1(NC(=O)/C=C/Sc2ccccc2)CCCCC1 ZINC000833203513 601185719 /nfs/dbraw/zinc/18/57/19/601185719.db2.gz ZCBFIHLJLCZTSS-FMIVXFBMSA-N -1 0 319.426 3.586 20 0 DHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000827825136 601186242 /nfs/dbraw/zinc/18/62/42/601186242.db2.gz CYOHRWFMEGXVFS-SRVKXCTJSA-N -1 0 310.777 3.835 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000093264672 601190605 /nfs/dbraw/zinc/19/06/05/601190605.db2.gz YQEBYBJQJVFXAS-JTQLQIEISA-N -1 0 312.797 3.938 20 0 DHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000391050429 601193033 /nfs/dbraw/zinc/19/30/33/601193033.db2.gz GSCFHDWEUVUPRE-ZDUSSCGKSA-N -1 0 320.433 3.949 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829286488 601193241 /nfs/dbraw/zinc/19/32/41/601193241.db2.gz ULFKSYGZSSAKJL-CQSZACIVSA-N -1 0 321.421 3.935 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000826055132 601204056 /nfs/dbraw/zinc/20/40/56/601204056.db2.gz WDKOJCMPWJJMGZ-LRDDRELGSA-N -1 0 316.401 3.524 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3ccccc3Cl)no2)C1 ZINC000314592567 601206882 /nfs/dbraw/zinc/20/68/82/601206882.db2.gz HVUURTYLSJOFQA-VHSXEESVSA-N -1 0 306.749 3.748 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000390377093 601207468 /nfs/dbraw/zinc/20/74/68/601207468.db2.gz SZJQHPKXSZMYPB-NWDGAFQWSA-N -1 0 320.776 3.672 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000326579450 601207607 /nfs/dbraw/zinc/20/76/07/601207607.db2.gz ARGJFWQUKNWDCO-STQMWFEESA-N -1 0 323.352 3.643 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000829004386 601238265 /nfs/dbraw/zinc/23/82/65/601238265.db2.gz HDMDWERDOKPNOA-YDHLFZDLSA-N -1 0 308.349 3.711 20 0 DHADRM COc1ccc(CCNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000832304397 601249616 /nfs/dbraw/zinc/24/96/16/601249616.db2.gz LPAFITNCHUMLCM-UHFFFAOYSA-N -1 0 304.321 3.579 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828201691 601266848 /nfs/dbraw/zinc/26/68/48/601266848.db2.gz UYSXUAKADCKTIT-JMSVASOKSA-N -1 0 302.374 3.570 20 0 DHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)c1cccc(C(=O)[O-])c1 ZINC000832875432 601271449 /nfs/dbraw/zinc/27/14/49/601271449.db2.gz XUBWZSUTVUKMKI-UHFFFAOYSA-N -1 0 309.365 3.595 20 0 DHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829014112 601275795 /nfs/dbraw/zinc/27/57/95/601275795.db2.gz CFZNVUPHEXRHPF-CYBMUJFWSA-N -1 0 319.382 3.551 20 0 DHADRM CC(=Cc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000825798743 601280185 /nfs/dbraw/zinc/28/01/85/601280185.db2.gz VXYFGWQOCKMSKY-PKNBQFBNSA-N -1 0 314.316 3.958 20 0 DHADRM Cc1ccc(-c2noc(CNc3ccc(C)c(C(=O)[O-])c3)n2)cc1 ZINC000832910165 601302346 /nfs/dbraw/zinc/30/23/46/601302346.db2.gz QNJLUOPLKNZCRL-UHFFFAOYSA-N -1 0 323.352 3.664 20 0 DHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CC12CCCC2)c1cccc(Cl)c1 ZINC000833169319 601302878 /nfs/dbraw/zinc/30/28/78/601302878.db2.gz JUVUZDDSJHHDON-STQMWFEESA-N -1 0 308.761 3.589 20 0 DHADRM 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O=C([O-])[C@@H](OC(=O)c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833351550 601933978 /nfs/dbraw/zinc/93/39/78/601933978.db2.gz SDSXISPKKQSRBL-NSHDSACASA-N -1 0 315.108 3.569 20 0 DHADRM CC[N@H+](Cc1ccc(C(=O)[O-])s1)[C@H](C)c1cccc(O)c1 ZINC000829719164 601957100 /nfs/dbraw/zinc/95/71/00/601957100.db2.gz ZYHLHYKRZNCURH-LLVKDONJSA-N -1 0 305.399 3.735 20 0 DHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000133812876 601958800 /nfs/dbraw/zinc/95/88/00/601958800.db2.gz UBWVVQVVGKXYSI-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CCc1ccc(NC(=S)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000739543233 601978013 /nfs/dbraw/zinc/97/80/13/601978013.db2.gz UDACRTYQBNFJBV-UHFFFAOYSA-N -1 0 316.386 3.543 20 0 DHADRM CSc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832774588 602001145 /nfs/dbraw/zinc/00/11/45/602001145.db2.gz QXGCEHLIYORIDY-UHFFFAOYSA-N -1 0 308.380 3.525 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832976784 602006790 /nfs/dbraw/zinc/00/67/90/602006790.db2.gz DCONNJXDJIXCFM-UHFFFAOYSA-N -1 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ZINC000832951148 602125732 /nfs/dbraw/zinc/12/57/32/602125732.db2.gz FUZOHRQPEUGNKG-UHFFFAOYSA-N -1 0 315.350 3.989 20 0 DHADRM Cc1ccc(OCc2noc(-c3ccccc3C)n2)c(C(=O)[O-])c1 ZINC000832950847 602125973 /nfs/dbraw/zinc/12/59/73/602125973.db2.gz BDGCBXQXLKCFCN-UHFFFAOYSA-N -1 0 324.336 3.631 20 0 DHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827874113 602139064 /nfs/dbraw/zinc/13/90/64/602139064.db2.gz UOYMWOVCWVAFMQ-NSHDSACASA-N -1 0 323.364 3.590 20 0 DHADRM CC(C)(CNc1nc(Cl)c(C(=O)[O-])s1)[C@@H]1CCCCO1 ZINC000826611203 602148871 /nfs/dbraw/zinc/14/88/71/602148871.db2.gz GTLBNSQZXLUXPF-QMMMGPOBSA-N -1 0 318.826 3.502 20 0 DHADRM Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)CC(=O)[O-])cc1C ZINC000832935463 602157813 /nfs/dbraw/zinc/15/78/13/602157813.db2.gz MAXXKJMAIKKWQD-AWEZNQCLSA-N -1 0 315.369 3.540 20 0 DHADRM CCS[C@H](C)c1noc(COc2cccc(NC(=O)[O-])c2)n1 ZINC000830149610 602159162 /nfs/dbraw/zinc/15/91/62/602159162.db2.gz IVWABBDYGMMWBJ-SECBINFHSA-N -1 0 323.374 3.553 20 0 DHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000827241206 602160651 /nfs/dbraw/zinc/16/06/51/602160651.db2.gz SOWOALVKSMUHFP-IAQYHMDHSA-N -1 0 311.809 3.606 20 0 DHADRM CCS[C@@H](C)c1noc(CNc2cccc(NC(=O)[O-])c2)n1 ZINC000830151110 602161953 /nfs/dbraw/zinc/16/19/53/602161953.db2.gz UWPASQBWPFSWBG-VIFPVBQESA-N -1 0 322.390 3.586 20 0 DHADRM CCCCC[C@@H](NC(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC000776662514 602164763 /nfs/dbraw/zinc/16/47/63/602164763.db2.gz WMVBKYJLEPWRLJ-CYBMUJFWSA-N -1 0 305.399 3.665 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739332589 602169903 /nfs/dbraw/zinc/16/99/03/602169903.db2.gz UWVXCHZRCKPROI-GOEBONIOSA-N -1 0 318.417 3.794 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000740716687 602179395 /nfs/dbraw/zinc/17/93/95/602179395.db2.gz ZQBJSMAHMWEVOX-UHFFFAOYSA-N -1 0 310.353 3.908 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000191341921 602184662 /nfs/dbraw/zinc/18/46/62/602184662.db2.gz 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ZINC000829238108 602313534 /nfs/dbraw/zinc/31/35/34/602313534.db2.gz MMHUZKHPZOMZEP-UHFFFAOYSA-N -1 0 304.390 3.705 20 0 DHADRM CCC(CC)CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000828858882 602324492 /nfs/dbraw/zinc/32/44/92/602324492.db2.gz DQDWOAGFGVCVIO-VQHVLOKHSA-N -1 0 306.358 3.525 20 0 DHADRM COc1cc(NC(=O)CCCC(C)(C)C)ccc1NC(=O)[O-] ZINC000739866185 602336580 /nfs/dbraw/zinc/33/65/80/602336580.db2.gz OLXPYNLJQVGQCL-UHFFFAOYSA-N -1 0 308.378 3.940 20 0 DHADRM CC(C)N(C(=O)c1ccc(CNC(=O)[O-])cc1)C1CCCCC1 ZINC000738836173 602336711 /nfs/dbraw/zinc/33/67/11/602336711.db2.gz VGKHZGOSXVWLLD-UHFFFAOYSA-N -1 0 318.417 3.638 20 0 DHADRM CC(C)(C)CCCC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738697467 602338613 /nfs/dbraw/zinc/33/86/13/602338613.db2.gz UKDYERONXFKLSJ-HNNXBMFYSA-N -1 0 324.465 3.584 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CC2CCSCC2)cc1Cl ZINC000161837838 602349192 /nfs/dbraw/zinc/34/91/92/602349192.db2.gz OQPIYCKFLLOBGJ-UHFFFAOYSA-N -1 0 313.806 3.510 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000767200583 602353543 /nfs/dbraw/zinc/35/35/43/602353543.db2.gz KSENSAVKZZVOJS-CSKARUKUSA-N -1 0 317.291 3.705 20 0 DHADRM O=C([O-])c1ccc(NC(=O)CCc2cccc(Cl)c2)cc1F ZINC000767202404 602358649 /nfs/dbraw/zinc/35/86/49/602358649.db2.gz XZJVJPVQVGCDFI-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM CCCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000323143704 602359618 /nfs/dbraw/zinc/35/96/18/602359618.db2.gz KMVFKGQPXDTFBG-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3s2)cc1F ZINC000389426756 602360610 /nfs/dbraw/zinc/36/06/10/602360610.db2.gz CZGBUIFBUBNKFT-UHFFFAOYSA-N -1 0 315.325 3.991 20 0 DHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000767205394 602361234 /nfs/dbraw/zinc/36/12/34/602361234.db2.gz HLDMETAYLLTLPC-JTQLQIEISA-N -1 0 319.307 3.795 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000826832501 602370113 /nfs/dbraw/zinc/37/01/13/602370113.db2.gz 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C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000825418135 603193153 /nfs/dbraw/zinc/19/31/53/603193153.db2.gz SEQIXFLSNXVTDQ-LBPRGKRZSA-N -1 0 304.390 3.924 20 0 DHADRM CCS[C@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)C ZINC000827495887 603195727 /nfs/dbraw/zinc/19/57/27/603195727.db2.gz OKZQNDIBXQMIDN-FZMZJTMJSA-N -1 0 324.446 3.731 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827604173 603195759 /nfs/dbraw/zinc/19/57/59/603195759.db2.gz HJAWKZOUWJASEW-JTQLQIEISA-N -1 0 318.398 3.891 20 0 DHADRM Cc1ccccc1N(C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)C(C)C ZINC000740185257 603196842 /nfs/dbraw/zinc/19/68/42/603196842.db2.gz HKPFBMZVFZFMQZ-GJZGRUSLSA-N -1 0 318.417 3.563 20 0 DHADRM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739714394 603199524 /nfs/dbraw/zinc/19/95/24/603199524.db2.gz SQBNSASDXXJCJM-UHFFFAOYSA-N -1 0 318.760 3.702 20 0 DHADRM CN(Cc1cccs1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739719680 603204339 /nfs/dbraw/zinc/20/43/39/603204339.db2.gz 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ZINC000826768600 603231326 /nfs/dbraw/zinc/23/13/26/603231326.db2.gz IIMGQWVMEMXMIC-QGZVFWFLSA-N -1 0 304.390 3.819 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CC=CCC2)c(Cl)c1 ZINC000740697453 603232420 /nfs/dbraw/zinc/23/24/20/603232420.db2.gz GDHIRPMPVHFROF-JTQLQIEISA-N -1 0 308.765 3.516 20 0 DHADRM CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)[C@@H](C)C(C)C ZINC000739379366 603233005 /nfs/dbraw/zinc/23/30/05/603233005.db2.gz BVFFQXWMOMPDDS-JTQLQIEISA-N -1 0 312.797 3.937 20 0 DHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C1CC1)C1CC1 ZINC000739593521 603233877 /nfs/dbraw/zinc/23/38/77/603233877.db2.gz OCTPRNGMSFGEHA-UHFFFAOYSA-N -1 0 322.792 3.691 20 0 DHADRM CCCN(CC(F)F)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739354049 603234992 /nfs/dbraw/zinc/23/49/92/603234992.db2.gz OIIWFOFAYWXSNT-UHFFFAOYSA-N -1 0 320.723 3.547 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000739086452 603249234 /nfs/dbraw/zinc/24/92/34/603249234.db2.gz QGGZLUCLDVMZAG-ISTVAULSSA-N -1 0 324.808 3.984 20 0 DHADRM CC(C)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CCC1 ZINC000738834870 603255090 /nfs/dbraw/zinc/25/50/90/603255090.db2.gz NFHNJISZLPPFEQ-INIZCTEOSA-N -1 0 318.417 3.565 20 0 DHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000826983149 603287765 /nfs/dbraw/zinc/28/77/65/603287765.db2.gz DQJSXISBWWYXIG-UHFFFAOYSA-N -1 0 316.332 3.891 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000738662812 603292644 /nfs/dbraw/zinc/29/26/44/603292644.db2.gz WNFAVOZOVCQFCU-QGZVFWFLSA-N -1 0 324.380 3.528 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000740029516 603293982 /nfs/dbraw/zinc/29/39/82/603293982.db2.gz RQVXSQYBCLUVIY-QGZVFWFLSA-N -1 0 324.380 3.528 20 0 DHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000826983246 603309924 /nfs/dbraw/zinc/30/99/24/603309924.db2.gz IQNHYGOAFADZEX-UHFFFAOYSA-N -1 0 316.332 3.891 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000825172647 603310915 /nfs/dbraw/zinc/31/09/15/603310915.db2.gz WMCCROXQWOAYOG-LLVKDONJSA-N -1 0 305.378 3.867 20 0 DHADRM CC(C)c1ccc(NC(=O)C[C@@H](C)NC(=O)[O-])c(C(C)C)c1 ZINC000824687594 603320223 /nfs/dbraw/zinc/32/02/23/603320223.db2.gz WEDDDJFJHOJRTC-GFCCVEGCSA-N -1 0 306.406 3.918 20 0 DHADRM C/C(=C\C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C(C)(C)C ZINC000823526542 603321846 /nfs/dbraw/zinc/32/18/46/603321846.db2.gz AAAFLIFWXCEUMM-FMIVXFBMSA-N -1 0 304.390 3.727 20 0 DHADRM CCC[C@@H](CC)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739302921 603350431 /nfs/dbraw/zinc/35/04/31/603350431.db2.gz FNZCWNGVPZANTN-CQSZACIVSA-N -1 0 321.421 3.887 20 0 DHADRM CCN(Cc1ccccc1NC(=O)NC1(C)CCCC1)C(=O)[O-] ZINC000739449120 603350564 /nfs/dbraw/zinc/35/05/64/603350564.db2.gz UJGUDQRSJHDPNC-UHFFFAOYSA-N -1 0 319.405 3.641 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)C2CCCCC2)cc1 ZINC000825423533 603367610 /nfs/dbraw/zinc/36/76/10/603367610.db2.gz QSLHJHZUPDUAKM-LBPRGKRZSA-N -1 0 319.405 3.812 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824679825 603379151 /nfs/dbraw/zinc/37/91/51/603379151.db2.gz OBHOPMGJSAIPSP-LBPRGKRZSA-N -1 0 306.406 3.918 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C)CC2)cc1 ZINC000825426784 603379815 /nfs/dbraw/zinc/37/98/15/603379815.db2.gz JNULNAHSGBXAGT-LBPRGKRZSA-N -1 0 319.405 3.669 20 0 DHADRM CC(C)C(C)(C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825426423 603385802 /nfs/dbraw/zinc/38/58/02/603385802.db2.gz DNLHRDNKRXMGTC-NSHDSACASA-N -1 0 307.394 3.571 20 0 DHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736230153 603387976 /nfs/dbraw/zinc/38/79/76/603387976.db2.gz DVPJHMQEQCKPME-UHFFFAOYSA-N -1 0 304.371 3.754 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736760879 603394326 /nfs/dbraw/zinc/39/43/26/603394326.db2.gz OBMQXTURWFHYDS-CZUORRHYSA-N -1 0 324.380 3.795 20 0 DHADRM O=C([O-])Nc1ccccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000740714841 603397758 /nfs/dbraw/zinc/39/77/58/603397758.db2.gz ZEQYEMCOTONAPC-CYBMUJFWSA-N -1 0 310.353 3.835 20 0 DHADRM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)C2)cc1NC(=O)[O-] ZINC000830215781 603398161 /nfs/dbraw/zinc/39/81/61/603398161.db2.gz BOFREYNBQVPJGX-WCQYABFASA-N -1 0 304.390 3.641 20 0 DHADRM Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C)cc1NC(=O)[O-] ZINC000830217280 603408936 /nfs/dbraw/zinc/40/89/36/603408936.db2.gz VHCJMXKLMRSMGH-SMDDNHRTSA-N -1 0 304.390 3.641 20 0 DHADRM Cc1cc(F)cc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000830054703 603414203 /nfs/dbraw/zinc/41/42/03/603414203.db2.gz HVQXKTGHFFBNPG-LBPRGKRZSA-N -1 0 307.325 3.539 20 0 DHADRM Cc1ccc(C(=O)Nc2cccc(F)c2F)cc1NC(=O)[O-] ZINC000830234235 603421376 /nfs/dbraw/zinc/42/13/76/603421376.db2.gz PDSOQYPPUJRFPF-UHFFFAOYSA-N -1 0 306.268 3.615 20 0 DHADRM CC(C)c1nc(C(=O)Oc2cccc(NC(=O)[O-])c2)cs1 ZINC000737647662 603474955 /nfs/dbraw/zinc/47/49/55/603474955.db2.gz BXPVZPKDEASWHU-UHFFFAOYSA-N -1 0 306.343 3.576 20 0 DHADRM CSc1ccsc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738147037 603483058 /nfs/dbraw/zinc/48/30/58/603483058.db2.gz XQDMOSQGFLAPHU-UHFFFAOYSA-N -1 0 309.368 3.779 20 0 DHADRM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1c(F)cccc1Cl ZINC000825503411 603559907 /nfs/dbraw/zinc/55/99/07/603559907.db2.gz SRHYORUDJLOIHX-VIFPVBQESA-N -1 0 323.755 3.815 20 0 DHADRM Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1Cl ZINC000830520965 603770208 /nfs/dbraw/zinc/77/02/08/603770208.db2.gz ABUDSZXBOGTXAP-UHFFFAOYSA-N -1 0 304.733 3.991 20 0 DHADRM Cc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000830516565 603812345 /nfs/dbraw/zinc/81/23/45/603812345.db2.gz GQXNBMBBOZZNSU-GOOCMWNKSA-N -1 0 316.401 3.553 20 0 DHADRM CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)[C@H](C)C(C)C ZINC000826971808 603904740 /nfs/dbraw/zinc/90/47/40/603904740.db2.gz ZCSRGYYIBYCYRW-IIAWOOMASA-N -1 0 320.433 3.524 20 0 DHADRM CC(C)c1cnc(CN2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000824476875 603909921 /nfs/dbraw/zinc/90/99/21/603909921.db2.gz ULQAZKNEELRLGA-UHFFFAOYSA-N -1 0 315.373 3.693 20 0 DHADRM C[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccsc1 ZINC000823724491 603956610 /nfs/dbraw/zinc/95/66/10/603956610.db2.gz QJRQNANFHXKUCW-JTQLQIEISA-N -1 0 316.382 3.531 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)CC2(C)C)cc1 ZINC000826014644 604015439 /nfs/dbraw/zinc/01/54/39/604015439.db2.gz LLZVPLJMCBQEPP-VXGBXAGGSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000825864972 604022468 /nfs/dbraw/zinc/02/24/68/604022468.db2.gz CKLLIMKNOZKBOF-ZJUUUORDSA-N -1 0 310.781 3.691 20 0 DHADRM O=C([O-])N1CCc2c1cccc2NCc1cnc2ccccc2c1 ZINC000832079826 604022404 /nfs/dbraw/zinc/02/24/04/604022404.db2.gz NSJFRCNGVKMDTL-UHFFFAOYSA-N -1 0 319.364 3.887 20 0 DHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000824182367 604175948 /nfs/dbraw/zinc/17/59/48/604175948.db2.gz JBRYZOPKGZLGKP-GFCCVEGCSA-N -1 0 308.378 3.556 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc(Cl)nc2)cc1 ZINC000825449033 604218268 /nfs/dbraw/zinc/21/82/68/604218268.db2.gz JYPRGKXKARIWEJ-SNVBAGLBSA-N -1 0 305.765 3.676 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1F ZINC000833158873 604264437 /nfs/dbraw/zinc/26/44/37/604264437.db2.gz ZJIWBXYXKGITPJ-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827062584 604282254 /nfs/dbraw/zinc/28/22/54/604282254.db2.gz FRJCKJUWYOHZCL-UHFFFAOYSA-N -1 0 317.316 3.563 20 0 DHADRM Cc1cnc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)o1 ZINC000830629792 604300060 /nfs/dbraw/zinc/30/00/60/604300060.db2.gz IFCCQCPEAVJPRP-UHFFFAOYSA-N -1 0 315.251 3.704 20 0 DHADRM C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825872474 604301801 /nfs/dbraw/zinc/30/18/01/604301801.db2.gz OQCPUNVMMQJVBV-QWHCGFSZSA-N -1 0 304.390 3.561 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCC[C@H]1C ZINC000829602261 604304708 /nfs/dbraw/zinc/30/47/08/604304708.db2.gz JHMOXSLIEBBATD-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC1(CC(C)C)CCCC1 ZINC000322552064 604333933 /nfs/dbraw/zinc/33/39/33/604333933.db2.gz BJDIBNUTDBQPKM-UHFFFAOYSA-N -1 0 320.433 3.666 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829210102 604342189 /nfs/dbraw/zinc/34/21/89/604342189.db2.gz ZOBBVDIWXKHBJQ-ABAIWWIYSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829210105 604342384 /nfs/dbraw/zinc/34/23/84/604342384.db2.gz ZOBBVDIWXKHBJQ-XHDPSFHLSA-N -1 0 307.365 3.565 20 0 DHADRM C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828310246 604376811 /nfs/dbraw/zinc/37/68/11/604376811.db2.gz LEWPUPSNQXYPMB-LLVKDONJSA-N -1 0 313.328 3.505 20 0 DHADRM Cc1cc([C@H](C)N(C)Cc2ccc(Cl)nc2)oc1C(=O)[O-] ZINC000832870471 604384327 /nfs/dbraw/zinc/38/43/27/604384327.db2.gz IMPPCRDWEHBQLU-JTQLQIEISA-N -1 0 308.765 3.528 20 0 DHADRM CC(C)n1nccc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000827207250 604407218 /nfs/dbraw/zinc/40/72/18/604407218.db2.gz OBUHJPUWTWLROE-UHFFFAOYSA-N -1 0 324.336 3.535 20 0 DHADRM CCC(CC)n1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)n1 ZINC000828869950 604423708 /nfs/dbraw/zinc/42/37/08/604423708.db2.gz HTOBKDSPQDNEKC-UHFFFAOYSA-N -1 0 317.345 3.553 20 0 DHADRM C/C(=C/C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000823526839 604443479 /nfs/dbraw/zinc/44/34/79/604443479.db2.gz DRAQQZDOUPGFKU-UKVQZPPCSA-N -1 0 318.417 3.624 20 0 DHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000828055306 604451213 /nfs/dbraw/zinc/45/12/13/604451213.db2.gz ALTFSFDQKTUWFV-GFCCVEGCSA-N -1 0 315.394 3.599 20 0 DHADRM CCC1(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000826639499 604454489 /nfs/dbraw/zinc/45/44/89/604454489.db2.gz NIWRNNCVCNWOFO-ZDUSSCGKSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)(CCC(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000683315698 604463292 /nfs/dbraw/zinc/46/32/92/604463292.db2.gz AYSQRGSAEMFSKK-UHFFFAOYSA-N -1 0 317.429 3.506 20 0 DHADRM CC(C)(C)SCCCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833447074 604469323 /nfs/dbraw/zinc/46/93/23/604469323.db2.gz NHBNDAVULKDHOM-UHFFFAOYSA-N -1 0 316.444 3.801 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828709295 604475089 /nfs/dbraw/zinc/47/50/89/604475089.db2.gz QSVILLYLQCVLPA-KCQAQPDRSA-N -1 0 320.433 3.572 20 0 DHADRM CCc1oc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000827682121 604477621 /nfs/dbraw/zinc/47/76/21/604477621.db2.gz VEIPBEXIHKGMIP-LLVKDONJSA-N -1 0 316.357 3.731 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828201391 604489995 /nfs/dbraw/zinc/48/99/95/604489995.db2.gz RNUBVQNWUJIQOX-FOGDFJRCSA-N -1 0 308.403 3.631 20 0 DHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cc(C(=O)[O-])cs1)C1CC1 ZINC000827957729 604499220 /nfs/dbraw/zinc/49/92/20/604499220.db2.gz OSSHIHKCLUZNNR-VIFPVBQESA-N -1 0 320.370 3.797 20 0 DHADRM CCC(CC)n1nccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000678976310 604510509 /nfs/dbraw/zinc/51/05/09/604510509.db2.gz WNFGFBMVSUNIDK-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM O=C([O-])[C@H]1CCCN1Cc1ccc(F)c(-c2cccs2)c1 ZINC000263392231 604527984 /nfs/dbraw/zinc/52/79/84/604527984.db2.gz FPLZTBSOATVQPR-CQSZACIVSA-N -1 0 305.374 3.603 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2c(C)noc2C(C)C)oc1C(=O)[O-] ZINC000832870629 604550245 /nfs/dbraw/zinc/55/02/45/604550245.db2.gz AOUYOSXPWBVJPZ-JTQLQIEISA-N -1 0 321.329 3.624 20 0 DHADRM CS/C=C\C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000829716598 604560607 /nfs/dbraw/zinc/56/06/07/604560607.db2.gz KWAPVCSFUSRHEP-PLNGDYQASA-N -1 0 320.292 3.611 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000833291359 604561716 /nfs/dbraw/zinc/56/17/16/604561716.db2.gz YPTUNJXXWYJJMP-UHFFFAOYSA-N -1 0 324.380 3.529 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)c2cccc3[nH]ccc32)oc1C(=O)[O-] ZINC000832877414 604567275 /nfs/dbraw/zinc/56/72/75/604567275.db2.gz YQAWEPCCVAXFSW-SNVBAGLBSA-N -1 0 313.309 3.686 20 0 DHADRM CC/C(=C/C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000828550865 604568264 /nfs/dbraw/zinc/56/82/64/604568264.db2.gz ZSIOVGLNKCHMTD-KUGGDMIFSA-N -1 0 321.804 3.599 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)CCc2ccccc2C)oc1C(=O)[O-] ZINC000832980623 604582163 /nfs/dbraw/zinc/58/21/63/604582163.db2.gz JENLFXMIORCZPI-CYBMUJFWSA-N -1 0 316.353 3.832 20 0 DHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833614563 604587756 /nfs/dbraw/zinc/58/77/56/604587756.db2.gz PEFJGJDMPXLIMJ-VHSXEESVSA-N -1 0 309.341 3.568 20 0 DHADRM Cc1cc([C@H](C)OC(=O)C(C)(C)c2cccs2)oc1C(=O)[O-] ZINC000832876834 604588568 /nfs/dbraw/zinc/58/85/68/604588568.db2.gz RRECIYLRNVKBRM-JTQLQIEISA-N -1 0 322.382 3.930 20 0 DHADRM CC(C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000833465465 604594011 /nfs/dbraw/zinc/59/40/11/604594011.db2.gz KTHLBHNPAHRLJC-OAHLLOKOSA-N -1 0 320.316 3.600 20 0 DHADRM Cc1ccc([C@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)o1 ZINC000832923360 604594926 /nfs/dbraw/zinc/59/49/26/604594926.db2.gz HQIABESRJCBQDJ-WDEREUQCSA-N -1 0 306.314 3.596 20 0 DHADRM CC(C)CCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833480122 604599184 /nfs/dbraw/zinc/59/91/84/604599184.db2.gz DHEOYSUFMVJFBF-UHFFFAOYSA-N -1 0 324.446 3.811 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000833385916 604606641 /nfs/dbraw/zinc/60/66/41/604606641.db2.gz JWYWAUBINAZQPX-SOFGYWHQSA-N -1 0 322.773 3.537 20 0 DHADRM O=C([O-])c1cc(CNc2ccccc2Cc2ccccc2)c[nH]1 ZINC000833297747 604647117 /nfs/dbraw/zinc/64/71/17/604647117.db2.gz MVGYPVKOZQSZFL-UHFFFAOYSA-N -1 0 306.365 3.916 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000190877477 604665733 /nfs/dbraw/zinc/66/57/33/604665733.db2.gz NJIPFFPBGXISTN-BENRWUELSA-N -1 0 309.793 3.505 20 0 DHADRM Cc1cc(F)cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000832888403 604666794 /nfs/dbraw/zinc/66/67/94/604666794.db2.gz SIEYZWLYPRELFN-GFCCVEGCSA-N -1 0 322.361 3.533 20 0 DHADRM CCc1nc2sccc2c(NCCCCCCC(=O)[O-])n1 ZINC000833674606 604671029 /nfs/dbraw/zinc/67/10/29/604671029.db2.gz FHTUULNLFPZMEA-UHFFFAOYSA-N -1 0 307.419 3.701 20 0 DHADRM COCc1ccc(SCC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000833726155 604673436 /nfs/dbraw/zinc/67/34/36/604673436.db2.gz SZCPDZUCGCYIPR-UHFFFAOYSA-N -1 0 316.378 3.506 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262278939 604676691 /nfs/dbraw/zinc/67/66/91/604676691.db2.gz ZHEGYMZAJSQEJL-CQSZACIVSA-N -1 0 305.418 3.648 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2ccc(F)c(F)c2C1 ZINC000833031720 604679863 /nfs/dbraw/zinc/67/98/63/604679863.db2.gz NJSCFFYDHUPFGJ-UHFFFAOYSA-N -1 0 323.364 3.591 20 0 DHADRM C/C(=C/C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccccc1Cl ZINC000825717240 604707229 /nfs/dbraw/zinc/70/72/29/604707229.db2.gz UHLSMBLOMBPSEH-QXMHVHEDSA-N -1 0 321.804 3.599 20 0 DHADRM C[C@@H]1CCc2c(C(=O)OCc3ccc(C(=O)[O-])o3)csc2C1 ZINC000828310846 604707784 /nfs/dbraw/zinc/70/77/84/604707784.db2.gz PLLZANCBRUOITP-SECBINFHSA-N -1 0 320.366 3.521 20 0 DHADRM CN(C(=O)c1cc2cc(Cl)ccc2o1)C1(C(=O)[O-])CCCC1 ZINC000830523247 604713666 /nfs/dbraw/zinc/71/36/66/604713666.db2.gz HQFAYRLULQUHBS-UHFFFAOYSA-N -1 0 321.760 3.556 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1C(F)(F)F ZINC000833524310 604714920 /nfs/dbraw/zinc/71/49/20/604714920.db2.gz 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/nfs/dbraw/zinc/76/35/04/604763504.db2.gz WTLPLONRMFFVDJ-UHFFFAOYSA-N -1 0 324.163 3.968 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NCc1csc(C2CC2)n1)c1ccccc1 ZINC000417561620 604764618 /nfs/dbraw/zinc/76/46/18/604764618.db2.gz LQMFQDUUPUBEMX-NHYWBVRUSA-N -1 0 316.426 3.572 20 0 DHADRM Cc1cccc2c(Nc3ccc(CCC(=O)[O-])cc3)ncnc12 ZINC000832973582 604774295 /nfs/dbraw/zinc/77/42/95/604774295.db2.gz DMSRVBYBTLMUAZ-UHFFFAOYSA-N -1 0 307.353 3.699 20 0 DHADRM CC(C)N(C)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1F ZINC000316646359 604775074 /nfs/dbraw/zinc/77/50/74/604775074.db2.gz GUNJRHPRNKDIRT-UHFFFAOYSA-N -1 0 306.337 3.574 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262723011 604790163 /nfs/dbraw/zinc/79/01/63/604790163.db2.gz FPCLIXLBAQDBBG-INIZCTEOSA-N -1 0 317.429 3.745 20 0 DHADRM O=C([O-])CCCN(C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000833225981 604802089 /nfs/dbraw/zinc/80/20/89/604802089.db2.gz WIXYNSIFQLZBMW-LCYFTJDESA-N -1 0 302.201 3.672 20 0 DHADRM CC(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000827158560 604824122 /nfs/dbraw/zinc/82/41/22/604824122.db2.gz LSTLGWPQFWLAHN-UHFFFAOYSA-N -1 0 323.349 3.748 20 0 DHADRM CCOc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)cc1F ZINC000833662907 604826083 /nfs/dbraw/zinc/82/60/83/604826083.db2.gz MDDKUAAXHWBPIR-UHFFFAOYSA-N -1 0 316.741 3.776 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000826845005 604830204 /nfs/dbraw/zinc/83/02/04/604830204.db2.gz OUNDYWQRMBGVTR-UHFFFAOYSA-N -1 0 321.392 3.812 20 0 DHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829004947 604860498 /nfs/dbraw/zinc/86/04/98/604860498.db2.gz SGFNPQSYSJMDIU-HNNXBMFYSA-N -1 0 302.301 3.832 20 0 DHADRM CN(C(=O)c1cc2sccc2s1)C1(C(=O)[O-])CCCCC1 ZINC000315057344 604870274 /nfs/dbraw/zinc/87/02/74/604870274.db2.gz ZLABOGMXOPKTNL-UHFFFAOYSA-N -1 0 323.439 3.822 20 0 DHADRM CC(C)CC(C)(C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833473594 604878046 /nfs/dbraw/zinc/87/80/46/604878046.db2.gz DJPIYYXUKHEHGF-UHFFFAOYSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000833560776 604881834 /nfs/dbraw/zinc/88/18/34/604881834.db2.gz JPKDRFZJDYZEPH-HUUCEWRRSA-N -1 0 323.477 3.942 20 0 DHADRM O=C([O-])c1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)cc1F ZINC000833350509 604888381 /nfs/dbraw/zinc/88/83/81/604888381.db2.gz YTDAARSRMLATRP-HNNXBMFYSA-N -1 0 318.275 3.507 20 0 DHADRM CC1(C)CCC(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000828060128 604917240 /nfs/dbraw/zinc/91/72/40/604917240.db2.gz HBKGSVAQHRXIBL-OAHLLOKOSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1F ZINC000833309520 604925344 /nfs/dbraw/zinc/92/53/44/604925344.db2.gz JLNYQOJETWSISM-INIZCTEOSA-N -1 0 313.328 3.501 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1F ZINC000833309131 604943838 /nfs/dbraw/zinc/94/38/38/604943838.db2.gz KVKIJIFMCSCPID-MRXNPFEDSA-N -1 0 319.376 3.709 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000829208598 604948305 /nfs/dbraw/zinc/94/83/05/604948305.db2.gz MQKWFNYIHDBMSG-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CC(C)c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000827113061 604981562 /nfs/dbraw/zinc/98/15/62/604981562.db2.gz VDCJRRGQIZKUDE-UHFFFAOYSA-N -1 0 309.325 3.620 20 0 DHADRM CCCCN(C)c1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000829381384 605000442 /nfs/dbraw/zinc/00/04/42/605000442.db2.gz RNMSNTZQQYOEDQ-KRWDZBQOSA-N -1 0 313.401 3.556 20 0 DHADRM Cc1scc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000263518786 605008811 /nfs/dbraw/zinc/00/88/11/605008811.db2.gz GAMJTYNCLGHKEK-UHFFFAOYSA-N -1 0 303.383 3.634 20 0 DHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833617632 605009182 /nfs/dbraw/zinc/00/91/82/605009182.db2.gz UQBGMUPQURYNNI-PXAZEXFGSA-N -1 0 324.380 3.830 20 0 DHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833616584 605010154 /nfs/dbraw/zinc/01/01/54/605010154.db2.gz DPIDMOXHPZFINQ-SJCJKPOMSA-N -1 0 324.380 3.830 20 0 DHADRM Cc1scc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1C ZINC000399819368 605024218 /nfs/dbraw/zinc/02/42/18/605024218.db2.gz CAEQXTJEGPEWMV-UHFFFAOYSA-N -1 0 309.774 3.969 20 0 DHADRM COc1ccc2oc(/C=C/c3ncc(C(=O)[O-])s3)cc2c1 ZINC000343067677 605025646 /nfs/dbraw/zinc/02/56/46/605025646.db2.gz NTXZRPFVGWAWGI-HWKANZROSA-N -1 0 301.323 3.767 20 0 DHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1c(F)cccc1F ZINC000833409515 605029611 /nfs/dbraw/zinc/02/96/11/605029611.db2.gz NUWIPJXUYCHHFI-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccccc1C(F)(F)F ZINC000833455773 605034438 /nfs/dbraw/zinc/03/44/38/605034438.db2.gz ZQXFWZFBKJGZSP-UHFFFAOYSA-N -1 0 318.291 3.640 20 0 DHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(Cl)cc1 ZINC000833482052 605054051 /nfs/dbraw/zinc/05/40/51/605054051.db2.gz AIXHBTKRXGREHF-GXFFZTMASA-N -1 0 313.781 3.627 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000054500275 605065044 /nfs/dbraw/zinc/06/50/44/605065044.db2.gz TUGFSASTHMIDAE-MRXNPFEDSA-N -1 0 323.820 3.798 20 0 DHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826923 605066004 /nfs/dbraw/zinc/06/60/04/605066004.db2.gz SIRFLFFDHFMQMK-LLVKDONJSA-N -1 0 311.809 3.750 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC000236650039 605066937 /nfs/dbraw/zinc/06/69/37/605066937.db2.gz PMSAIRZDTZSLJS-INIZCTEOSA-N -1 0 305.418 3.781 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000630295899 605067835 /nfs/dbraw/zinc/06/78/35/605067835.db2.gz WDTVAQKOJCSJPA-FMKPAKJESA-N -1 0 317.429 3.671 20 0 DHADRM CC1(C)CC[C@H](c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC000833558361 605074453 /nfs/dbraw/zinc/07/44/53/605074453.db2.gz JCTPHARMWUSWKN-LBPRGKRZSA-N -1 0 316.357 3.641 20 0 DHADRM CC(C)COc1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000659754909 605082114 /nfs/dbraw/zinc/08/21/14/605082114.db2.gz SPVGIBIOCJUBIK-UHFFFAOYSA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C1CCC(C(=O)[O-])CC1 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CCN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000191130596 949504094 /nfs/dbraw/zinc/50/40/94/949504094.db2.gz HAWQGELAGJTBFJ-UHFFFAOYSA-N -1 0 320.348 3.600 20 0 DHADRM CCC[C@H](C(=O)N(CC(=O)[O-])CC1CC1)c1cccc(Cl)c1 ZINC001589630254 949527611 /nfs/dbraw/zinc/52/76/11/949527611.db2.gz CNLZUWVCSCKOPB-HNNXBMFYSA-N -1 0 323.820 3.547 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC001595248921 949532494 /nfs/dbraw/zinc/53/24/94/949532494.db2.gz QRSRXPAVAHFWNO-HOTGVXAUSA-N -1 0 313.328 3.656 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC001602806553 971590374 /nfs/dbraw/zinc/59/03/74/971590374.db2.gz MYDLDELPVLJMKG-AWEZNQCLSA-N -1 0 311.381 3.521 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589637921 949639459 /nfs/dbraw/zinc/63/94/59/949639459.db2.gz VGTQCRQEZIJJBF-BBRMVZONSA-N -1 0 303.402 3.721 20 0 DHADRM CCCCC1CCC(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC001589639972 949677909 /nfs/dbraw/zinc/67/79/09/949677909.db2.gz 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CCCc1nc(C)c(C(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC001589692161 950136710 /nfs/dbraw/zinc/13/67/10/950136710.db2.gz URYSZWPECDKYRA-UHFFFAOYSA-N -1 0 318.398 3.663 20 0 DHADRM CC(C)[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccccc1 ZINC000263107619 950270718 /nfs/dbraw/zinc/27/07/18/950270718.db2.gz DFGSDUQVYJUCQP-OIISXLGYSA-N -1 0 317.429 3.528 20 0 DHADRM CCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589706880 950299996 /nfs/dbraw/zinc/29/99/96/950299996.db2.gz JCKLXNNLOIPERN-ZDUSSCGKSA-N -1 0 312.369 3.681 20 0 DHADRM CCN(C(=O)Nc1cccc(-c2ccccc2)c1)[C@@H](C)C(=O)[O-] ZINC001589707719 950312922 /nfs/dbraw/zinc/31/29/22/950312922.db2.gz XYVAONDRJFOSMZ-ZDUSSCGKSA-N -1 0 312.369 3.681 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000318126463 950922144 /nfs/dbraw/zinc/92/21/44/950922144.db2.gz WPBIDKMIZLZJQW-UWVGGRQHSA-N -1 0 315.291 3.692 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001602854648 971705687 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CC(C)(C)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1Cl ZINC001602922950 971883325 /nfs/dbraw/zinc/88/33/25/971883325.db2.gz KHVFKEZCAJQIFV-UHFFFAOYSA-N -1 0 323.820 3.622 20 0 DHADRM CC(C)(C)c1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602923098 971884223 /nfs/dbraw/zinc/88/42/23/971884223.db2.gz RFDWGVHAQUOFCL-SFHVURJKSA-N -1 0 301.386 3.734 20 0 DHADRM CC[C@@H](NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001593599685 953401364 /nfs/dbraw/zinc/40/13/64/953401364.db2.gz GFKXKCOKEKCZOS-BZUAXINKSA-N -1 0 317.429 3.576 20 0 DHADRM O=C([O-])c1cccc(NC(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC001594751733 953447442 /nfs/dbraw/zinc/44/74/42/953447442.db2.gz XZYFQQLGVPVITR-OAHLLOKOSA-N -1 0 324.380 3.626 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)NCCC1(c2ccccc2)CC1 ZINC001594754488 953461449 /nfs/dbraw/zinc/46/14/49/953461449.db2.gz TZJUSLCMYCFXHB-UHFFFAOYSA-N -1 0 324.380 3.628 20 0 DHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424398639 953463509 /nfs/dbraw/zinc/46/35/09/953463509.db2.gz ASVMCIFVEGZYIA-OAHLLOKOSA-N -1 0 320.433 3.670 20 0 DHADRM CC(C)(c1noc(CCC(=O)[O-])n1)c1cccc2ccccc21 ZINC001602958937 971937836 /nfs/dbraw/zinc/93/78/36/971937836.db2.gz IDOYVRJBIBLLHC-UHFFFAOYSA-N -1 0 310.353 3.566 20 0 DHADRM CCc1cc2c(nc(C)nc2NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001593633841 953596964 /nfs/dbraw/zinc/59/69/64/953596964.db2.gz RDQFKIKWNVDVMN-LLVKDONJSA-N -1 0 321.446 3.721 20 0 DHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001589294441 953632462 /nfs/dbraw/zinc/63/24/62/953632462.db2.gz KPZWJHHYAVPEQA-DYVFJYSZSA-N -1 0 309.365 3.608 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC001594785452 953664039 /nfs/dbraw/zinc/66/40/39/953664039.db2.gz YCFSDKADEFIVSZ-XBVQOTNRSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC001602961132 971949627 /nfs/dbraw/zinc/94/96/27/971949627.db2.gz PQDNEUCUFMADKC-FUHWJXTLSA-N -1 0 323.392 3.522 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001589303098 953706512 /nfs/dbraw/zinc/70/65/12/953706512.db2.gz OFFXZNRDHOFHCS-SUMWQHHRSA-N -1 0 313.397 3.579 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001602961263 971952042 /nfs/dbraw/zinc/95/20/42/971952042.db2.gz UHYHLZCFCDPFOE-DZGCQCFKSA-N -1 0 303.402 3.520 20 0 DHADRM CCc1oc2ccccc2c1C(=O)NCc1ccccc1C(=O)[O-] ZINC001593657933 953765731 /nfs/dbraw/zinc/76/57/31/953765731.db2.gz FODFEYHMRADFFN-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM C=CCOc1ccccc1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000079943675 1013117265 /nfs/dbraw/zinc/11/72/65/1013117265.db2.gz PWWQWXIADJIDDJ-FIFLTTCUSA-N -1 0 313.378 3.976 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC001594809522 953803824 /nfs/dbraw/zinc/80/38/24/953803824.db2.gz ZDINLYOEURATAY-INIZCTEOSA-N -1 0 310.353 3.658 20 0 DHADRM C[C@@H]1CCC[C@@H](CNC(=O)C2(C(=O)[O-])CCCCCC2)[C@@H]1C ZINC001589314313 953817966 /nfs/dbraw/zinc/81/79/66/953817966.db2.gz AGXNWBBAJNKWDD-KFWWJZLASA-N -1 0 309.450 3.600 20 0 DHADRM C[C@H]1CCC[C@H](C2CN(C(=O)Nc3ccccc3C(=O)[O-])C2)C1 ZINC001589315101 953827699 /nfs/dbraw/zinc/82/76/99/953827699.db2.gz WOXKBCQFISCRPW-STQMWFEESA-N -1 0 316.401 3.675 20 0 DHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000630268210 953849578 /nfs/dbraw/zinc/84/95/78/953849578.db2.gz SAMMOXDNDSJLOU-HNNXBMFYSA-N -1 0 321.392 3.565 20 0 DHADRM C[C@@H]1CCCN(C(=O)CC(C)(C)C2CCCCC2)[C@@H]1C(=O)[O-] ZINC001589325444 953901586 /nfs/dbraw/zinc/90/15/86/953901586.db2.gz FVCOPZHFVJELOR-CJNGLKHVSA-N -1 0 309.450 3.695 20 0 DHADRM CN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001593680559 953946729 /nfs/dbraw/zinc/94/67/29/953946729.db2.gz IUDCGDICSYKABZ-INIZCTEOSA-N -1 0 310.353 3.536 20 0 DHADRM CC[C@H](CNC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000649262358 953990689 /nfs/dbraw/zinc/99/06/89/953990689.db2.gz FCTVUXDJFHJBFJ-ISXOHVOVSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001602970936 971981085 /nfs/dbraw/zinc/98/10/85/971981085.db2.gz YYJILOPMNOKPQS-JTQLQIEISA-N -1 0 323.698 3.654 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000653292356 954100627 /nfs/dbraw/zinc/10/06/27/954100627.db2.gz ADKZNWPJEFIYMO-UHFFFAOYSA-N -1 0 307.390 3.612 20 0 DHADRM O=C([O-])[C@H](Sc1nnc(CCC2CCCCC2)o1)C1CC1 ZINC001594843369 954102807 /nfs/dbraw/zinc/10/28/07/954102807.db2.gz KLIOBDHHVBXKIW-CYBMUJFWSA-N -1 0 310.419 3.538 20 0 DHADRM O=C([O-])C1(C(=O)N2CCCC3(CCCC3)C2)CCCCCC1 ZINC001594849958 954173575 /nfs/dbraw/zinc/17/35/75/954173575.db2.gz DJUJLGBOAIFMPN-UHFFFAOYSA-N -1 0 307.434 3.594 20 0 DHADRM Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC000655575442 954212570 /nfs/dbraw/zinc/21/25/70/954212570.db2.gz IYJOVUACGRXREY-KGYLQXTDSA-N -1 0 323.820 3.514 20 0 DHADRM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC000655576362 954213797 /nfs/dbraw/zinc/21/37/97/954213797.db2.gz QDHVABXWBGZVAW-WCFLWFBJSA-N -1 0 323.820 3.514 20 0 DHADRM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655584865 954227042 /nfs/dbraw/zinc/22/70/42/954227042.db2.gz ODAHKVHTMOVJLP-UHOFOFEASA-N -1 0 317.429 3.675 20 0 DHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001593724190 954269359 /nfs/dbraw/zinc/26/93/59/954269359.db2.gz NYUPGKHFRZXLLU-UHFFFAOYSA-N -1 0 316.760 3.687 20 0 DHADRM CC1(C)C[C@@]1(C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000659137339 954310257 /nfs/dbraw/zinc/31/02/57/954310257.db2.gz IXZFRULVZLFOCQ-FQEVSTJZSA-N -1 0 323.392 3.620 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000659146028 954310609 /nfs/dbraw/zinc/31/06/09/954310609.db2.gz GECYDNZCMVIKIR-CQSZACIVSA-N -1 0 301.386 3.613 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)C2CCC3(CC3)CC2)c1 ZINC000659145961 954310715 /nfs/dbraw/zinc/31/07/15/954310715.db2.gz DYJJXHFEAKSSOA-UHFFFAOYSA-N -1 0 301.386 3.613 20 0 DHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc3sccc3c2)CC=CCC1 ZINC001594871178 954357271 /nfs/dbraw/zinc/35/72/71/954357271.db2.gz UPHYBJVTXKOILY-INIZCTEOSA-N -1 0 301.367 3.651 20 0 DHADRM CCN(C(=O)c1cc(C)c(-c2ccccc2)s1)[C@@H](C)C(=O)[O-] ZINC000659769509 954367180 /nfs/dbraw/zinc/36/71/80/954367180.db2.gz HQNUEMDSUNZIDY-LBPRGKRZSA-N -1 0 317.410 3.659 20 0 DHADRM CCN(C(=O)c1cc(C)n(C2CCCCC2)c1C)[C@@H](C)C(=O)[O-] ZINC000659777004 954371565 /nfs/dbraw/zinc/37/15/65/954371565.db2.gz WKZNHLSHIOEVSD-AWEZNQCLSA-N -1 0 320.433 3.545 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(c2nc3cccc(F)c3s2)C1 ZINC000662887976 954399818 /nfs/dbraw/zinc/39/98/18/954399818.db2.gz UZVTUSMVUIZGRD-JTQLQIEISA-N -1 0 308.378 3.517 20 0 DHADRM O=C([O-])[C@@]1(C(=O)Oc2cc(Cl)ccc2Cl)CC=CCC1 ZINC001594879190 954404128 /nfs/dbraw/zinc/40/41/28/954404128.db2.gz VHUFQIKOLZCOFQ-CQSZACIVSA-N -1 0 315.152 3.710 20 0 DHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cc2ccccc2s1 ZINC000663051849 954424280 /nfs/dbraw/zinc/42/42/80/954424280.db2.gz GAHIAUBAMQWUPU-QGHHPUGFSA-N -1 0 317.410 3.579 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663119295 954513117 /nfs/dbraw/zinc/51/31/17/954513117.db2.gz KXFWRENFOHILQJ-DLTLXFJOSA-N -1 0 315.413 3.632 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(C(=O)[O-])c1 ZINC001589411933 954522074 /nfs/dbraw/zinc/52/20/74/954522074.db2.gz VCRFBGUNTWHZHG-SNVBAGLBSA-N -1 0 315.756 3.630 20 0 DHADRM C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000080252526 1013125323 /nfs/dbraw/zinc/12/53/23/1013125323.db2.gz GDSNQCUETKZRRA-ZFWWWQNUSA-N -1 0 309.431 3.689 20 0 DHADRM C[C@H]1Sc2ccccc2N(C(=O)CCCCC(=O)[O-])[C@H]1C ZINC001589417794 954570647 /nfs/dbraw/zinc/57/06/47/954570647.db2.gz KNMUFUOOBIHLTE-NWDGAFQWSA-N -1 0 307.415 3.547 20 0 DHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CCCCC(=O)[O-] ZINC001589417793 954571122 /nfs/dbraw/zinc/57/11/22/954571122.db2.gz KNMUFUOOBIHLTE-NEPJUHHUSA-N -1 0 307.415 3.547 20 0 DHADRM Cc1cc2ccccc2c(NC(=O)NCCCCC(=O)[O-])c1 ZINC000669506843 954578401 /nfs/dbraw/zinc/57/84/01/954578401.db2.gz MHIVOGMGQURIDN-UHFFFAOYSA-N -1 0 300.358 3.525 20 0 DHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679396289 954592534 /nfs/dbraw/zinc/59/25/34/954592534.db2.gz FBAALBOMGBFOPG-ZDUSSCGKSA-N -1 0 315.369 3.519 20 0 DHADRM CC[C@H](C(=O)Nc1cccnc1C(=O)[O-])C1CCC(C)CC1 ZINC001589430202 954645310 /nfs/dbraw/zinc/64/53/10/954645310.db2.gz MOHRRWROPFRSAW-BPCQOVAHSA-N -1 0 304.390 3.571 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001589451420 954802577 /nfs/dbraw/zinc/80/25/77/954802577.db2.gz QORVLYXFGPIVTD-SFHVURJKSA-N -1 0 315.344 3.579 20 0 DHADRM CC[C@H](C)CCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589456494 954829960 /nfs/dbraw/zinc/82/99/60/954829960.db2.gz MHJCKWGZCBMARH-KBXCAEBGSA-N -1 0 305.418 3.709 20 0 DHADRM CC[C@H](C)c1ccc(COC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001589463467 954873859 /nfs/dbraw/zinc/87/38/59/954873859.db2.gz CIICKSAVJAGJLD-ZDUSSCGKSA-N -1 0 302.370 3.664 20 0 DHADRM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)SCCC(=O)[O-] ZINC001589464613 954890879 /nfs/dbraw/zinc/89/08/79/954890879.db2.gz GNTMQSHJHCAHGQ-VXGBXAGGSA-N -1 0 309.431 3.735 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)SCCC(=O)[O-] ZINC001589464612 954891176 /nfs/dbraw/zinc/89/11/76/954891176.db2.gz GNTMQSHJHCAHGQ-RYUDHWBXSA-N -1 0 309.431 3.735 20 0 DHADRM CC[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC001589464742 954892264 /nfs/dbraw/zinc/89/22/64/954892264.db2.gz VUDDJBIQQNKPLE-RKVPGOIHSA-N -1 0 317.429 3.590 20 0 DHADRM CC[C@@H](C)Oc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc(C)n1 ZINC001589465230 954899166 /nfs/dbraw/zinc/89/91/66/954899166.db2.gz ZIYWYPGRSBYDTH-YPMHNXCESA-N -1 0 323.437 3.654 20 0 DHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC001589465603 954904483 /nfs/dbraw/zinc/90/44/83/954904483.db2.gz YPYXUHKXOYCGIE-JTQLQIEISA-N -1 0 316.361 3.505 20 0 DHADRM CCC(CC)(CNC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC000683304077 1013130079 /nfs/dbraw/zinc/13/00/79/1013130079.db2.gz MCBPOOXUKMDSHG-UHFFFAOYSA-N -1 0 319.445 3.752 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCC2CCCCCC2)C1 ZINC000655541124 1013133653 /nfs/dbraw/zinc/13/36/53/1013133653.db2.gz WHNPFTWGDTVDHL-MRXNPFEDSA-N -1 0 309.450 3.840 20 0 DHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)CCCCC(=O)[O-] ZINC000808507834 955354432 /nfs/dbraw/zinc/35/44/32/955354432.db2.gz IOPDFTMMJQQVPN-UHFFFAOYSA-N -1 0 303.402 3.518 20 0 DHADRM Cc1oc2ccccc2c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594506664 955362823 /nfs/dbraw/zinc/36/28/23/955362823.db2.gz QOPZSVLTFRILGK-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CC(C)COc1ccc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603030802 972091508 /nfs/dbraw/zinc/09/15/08/972091508.db2.gz QKFCVFDYAQHTMC-MRXNPFEDSA-N -1 0 320.385 3.518 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013116 955398896 /nfs/dbraw/zinc/39/88/96/955398896.db2.gz PSDBNQWQNMULNR-WBMJQRKESA-N -1 0 321.392 3.674 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589014128 955415959 /nfs/dbraw/zinc/41/59/59/955415959.db2.gz KHVZSXHCXNHBBI-LIRRHRJNSA-N -1 0 319.445 3.608 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589014122 955416560 /nfs/dbraw/zinc/41/65/60/955416560.db2.gz KHVZSXHCXNHBBI-IFXJQAMLSA-N -1 0 319.445 3.608 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589014892 955426353 /nfs/dbraw/zinc/42/63/53/955426353.db2.gz VTPLIUAREIKVLI-ZOBORPQBSA-N -1 0 311.466 3.700 20 0 DHADRM CC(C)C[C@@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001603036614 972097238 /nfs/dbraw/zinc/09/72/38/972097238.db2.gz KTYWEENHESPPLI-JXMNSVBMSA-N -1 0 317.429 3.613 20 0 DHADRM CC(C)Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC001603054485 972121172 /nfs/dbraw/zinc/12/11/72/972121172.db2.gz VTWCRBMWYBVMOM-UHFFFAOYSA-N -1 0 318.417 3.650 20 0 DHADRM CCC(CC)(CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000852945137 955861883 /nfs/dbraw/zinc/86/18/83/955861883.db2.gz NSGGQZGLNIROSL-CVEARBPZSA-N -1 0 317.429 3.578 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589084807 955892046 /nfs/dbraw/zinc/89/20/46/955892046.db2.gz IJVLUFUYVHAIPY-LLVKDONJSA-N -1 0 317.307 3.623 20 0 DHADRM Cc1c(NC(=O)c2csc3c2CCCC3)cccc1C(=O)[O-] ZINC000387753952 972137017 /nfs/dbraw/zinc/13/70/17/972137017.db2.gz VQBSZBJIIRJRDU-UHFFFAOYSA-N -1 0 315.394 3.886 20 0 DHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)CCCC(=O)[O-])o1 ZINC000872938937 956064444 /nfs/dbraw/zinc/06/44/44/956064444.db2.gz VXAAIMGNABKYHS-AWEZNQCLSA-N -1 0 307.390 3.541 20 0 DHADRM CC(C)c1cc(C(=O)N(CC(=O)[O-])C(C)C)c(O)c(C(C)C)c1 ZINC001603099374 972171570 /nfs/dbraw/zinc/17/15/70/972171570.db2.gz AYUITVNIAHPAKK-UHFFFAOYSA-N -1 0 321.417 3.574 20 0 DHADRM CCCCN(C(=O)NCCCCC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000898834128 956265313 /nfs/dbraw/zinc/26/53/13/956265313.db2.gz CFGFNLARHNHMFI-CQSZACIVSA-N -1 0 324.421 3.716 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)CC2CCCCC2)c2ccccc21 ZINC000388588762 972179488 /nfs/dbraw/zinc/17/94/88/972179488.db2.gz HQZKPWGTFDLPCW-HNNXBMFYSA-N -1 0 301.386 3.562 20 0 DHADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001589169234 956456029 /nfs/dbraw/zinc/45/60/29/956456029.db2.gz XWELUSWFHGOZRK-SFYZADRCSA-N -1 0 300.330 3.699 20 0 DHADRM C[C@H](SCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169585 956461159 /nfs/dbraw/zinc/46/11/59/956461159.db2.gz JJPCMONLRZEUKX-ZDUSSCGKSA-N -1 0 321.442 3.559 20 0 DHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1CC1 ZINC000901778790 956465023 /nfs/dbraw/zinc/46/50/23/956465023.db2.gz NYKXQFJKKPPGQN-COLVAYQJSA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)/C=C/C1CCCCCC1 ZINC001594668350 956599268 /nfs/dbraw/zinc/59/92/68/956599268.db2.gz RJDZCNPYKJODNO-VAWYXSNFSA-N -1 0 301.386 3.528 20 0 DHADRM CC(C)(CC(=O)NC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000902041535 956626480 /nfs/dbraw/zinc/62/64/80/956626480.db2.gz ASBAUNFRDIYOAJ-UHFFFAOYSA-N -1 0 323.355 3.649 20 0 DHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC001589201348 956636589 /nfs/dbraw/zinc/63/65/89/956636589.db2.gz ORTFNGXMXPAALF-CQSZACIVSA-N -1 0 321.461 3.552 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001603120777 972205414 /nfs/dbraw/zinc/20/54/14/972205414.db2.gz UCESQRNUIGYNAX-YVEFUNNKSA-N -1 0 321.392 3.674 20 0 DHADRM CC1(C)CCC[C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC001589224733 956784373 /nfs/dbraw/zinc/78/43/73/956784373.db2.gz OISOMPJVVFCZLH-ZDUSSCGKSA-N -1 0 318.417 3.652 20 0 DHADRM CC1(C)CCC[C@@H]1CCNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001589226038 956795688 /nfs/dbraw/zinc/79/56/88/956795688.db2.gz VHGKQOMIQYQDDA-CABCVRRESA-N -1 0 324.465 3.632 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000389254687 972215086 /nfs/dbraw/zinc/21/50/86/972215086.db2.gz CABGDUCWKCYKEK-UHFFFAOYSA-N -1 0 318.760 3.920 20 0 DHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000013062601 956922800 /nfs/dbraw/zinc/92/28/00/956922800.db2.gz UUKKPHMXJDCSPT-GFCCVEGCSA-N -1 0 315.394 3.645 20 0 DHADRM Cc1ccc(OCCOc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000013085858 956937571 /nfs/dbraw/zinc/93/75/71/956937571.db2.gz CBYDEEVIYAOUJP-UHFFFAOYSA-N -1 0 306.745 3.804 20 0 DHADRM N#Cc1ccc(COc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000013085928 956939012 /nfs/dbraw/zinc/93/90/12/956939012.db2.gz HHEONYZUTHZIIO-UHFFFAOYSA-N -1 0 303.317 3.989 20 0 DHADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2C1 ZINC000013094812 956945793 /nfs/dbraw/zinc/94/57/93/956945793.db2.gz BQSCMBCGYNOIJX-JTQLQIEISA-N -1 0 315.394 3.823 20 0 DHADRM O=C([O-])c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000013166576 956946864 /nfs/dbraw/zinc/94/68/64/956946864.db2.gz GYCPXSPNCHIUQE-UHFFFAOYSA-N -1 0 321.332 3.556 20 0 DHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2c1C ZINC000013259647 956996704 /nfs/dbraw/zinc/99/67/04/956996704.db2.gz ZQYMSHDGBDZFOE-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000013259719 956998224 /nfs/dbraw/zinc/99/82/24/956998224.db2.gz JDMHMPBTEODYDX-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000909083680 957003385 /nfs/dbraw/zinc/00/33/85/957003385.db2.gz NESXTIKMANLWKQ-QGZVFWFLSA-N -1 0 324.380 3.692 20 0 DHADRM C[C@@H](CCNC(=O)NCc1ccccc1C(=O)[O-])CC(C)(C)C ZINC001603143137 972238341 /nfs/dbraw/zinc/23/83/41/972238341.db2.gz RQDKYLQFCHGKQC-ZDUSSCGKSA-N -1 0 320.433 3.646 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)s2)o1 ZINC000683308622 1013152171 /nfs/dbraw/zinc/15/21/71/1013152171.db2.gz QZNKPUYRLSXWIZ-ZDUSSCGKSA-N -1 0 321.398 3.546 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001121836054 957213672 /nfs/dbraw/zinc/21/36/72/957213672.db2.gz DKUPKXXMEOHAEF-QGZVFWFLSA-N -1 0 324.380 3.561 20 0 DHADRM CSCc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000037451782 957298255 /nfs/dbraw/zinc/29/82/55/957298255.db2.gz BKOCUATYWQNGPY-UHFFFAOYSA-N -1 0 307.396 3.562 20 0 DHADRM O=C([O-])c1ccc(Cl)cc1NC(=O)N1CCCCCCC1 ZINC000040557964 957375650 /nfs/dbraw/zinc/37/56/50/957375650.db2.gz RSEQTNZJPASXBP-UHFFFAOYSA-N -1 0 310.781 3.836 20 0 DHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000048987492 957471059 /nfs/dbraw/zinc/47/10/59/957471059.db2.gz KGTDJCOWRVFMGU-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)c1ccsc1 ZINC000061369806 957579559 /nfs/dbraw/zinc/57/95/59/957579559.db2.gz HWVTVANVWYSLAB-JTQLQIEISA-N -1 0 304.371 3.637 20 0 DHADRM CCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000066145113 957643621 /nfs/dbraw/zinc/64/36/21/957643621.db2.gz MFENPMFBMRUSAZ-UHFFFAOYSA-N -1 0 315.163 3.633 20 0 DHADRM Cc1cc(C(=O)CS[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC001594274516 957710998 /nfs/dbraw/zinc/71/09/98/957710998.db2.gz SZUVGAKDJOQYNR-ZDUSSCGKSA-N -1 0 311.447 3.540 20 0 DHADRM O=C([O-])c1ccc(CNc2cccc(-c3nccs3)c2)o1 ZINC000071396063 957722659 /nfs/dbraw/zinc/72/26/59/957722659.db2.gz FWRPEFLUQHZBKG-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM COCc1cc(-c2ccc3c(c2)[C@H](C(=O)[O-])CCN3)cs1 ZINC001594027904 957725370 /nfs/dbraw/zinc/72/53/70/957725370.db2.gz HTILHNZVGFOCCQ-CYBMUJFWSA-N -1 0 303.383 3.545 20 0 DHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)co1 ZINC001594281282 957746478 /nfs/dbraw/zinc/74/64/78/957746478.db2.gz DXAVLEVERMNWJO-QMMMGPOBSA-N -1 0 319.382 3.725 20 0 DHADRM CC(C)Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000077589127 957752717 /nfs/dbraw/zinc/75/27/17/957752717.db2.gz XEWXKGCSNFNUKU-UHFFFAOYSA-N -1 0 319.401 3.838 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 ZINC001594289687 957817959 /nfs/dbraw/zinc/81/79/59/957817959.db2.gz XVTMMXXOBSJYIY-INIZCTEOSA-N -1 0 314.312 3.677 20 0 DHADRM Cc1cc(C)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001594293515 957843828 /nfs/dbraw/zinc/84/38/28/957843828.db2.gz FFQPMWKNMOUNOU-UHFFFAOYSA-N -1 0 315.394 3.656 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001574819797 957903992 /nfs/dbraw/zinc/90/39/92/957903992.db2.gz FFUHWEOEONWDFH-UHFFFAOYSA-N -1 0 319.357 3.718 20 0 DHADRM Cc1cc(Cl)cc(C)c1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594307377 957981593 /nfs/dbraw/zinc/98/15/93/957981593.db2.gz NBVQTUOTFTUNCJ-GFCCVEGCSA-N -1 0 312.797 3.578 20 0 DHADRM Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594308260 957991277 /nfs/dbraw/zinc/99/12/77/957991277.db2.gz VCKWFFJGPWFOSE-QPJJXVBHSA-N -1 0 306.701 3.558 20 0 DHADRM COc1cc(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594058798 958070192 /nfs/dbraw/zinc/07/01/92/958070192.db2.gz IRSPBSQVMPNPEC-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1cc(NC(=O)Cc2coc3ccccc23)ccc1C(=O)[O-] ZINC001594318288 958095620 /nfs/dbraw/zinc/09/56/20/958095620.db2.gz QUQXXYUUEJNKRO-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM COc1cc(NCc2ccc(C(=O)[O-])cc2)cc2cccnc21 ZINC001594065977 958131878 /nfs/dbraw/zinc/13/18/78/958131878.db2.gz ZDJJMKJKGHYKIF-UHFFFAOYSA-N -1 0 308.337 3.554 20 0 DHADRM COc1cc(NCc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC001594066523 958138899 /nfs/dbraw/zinc/13/88/99/958138899.db2.gz OXRDIFSVFJOOTJ-UHFFFAOYSA-N -1 0 323.295 3.607 20 0 DHADRM Cc1cc(NC(=O)c2cccc3scnc32)ccc1C(=O)[O-] ZINC001594325103 958158831 /nfs/dbraw/zinc/15/88/31/958158831.db2.gz YVMFITXGFGGREE-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)[C@@H](C)c1ccccc1 ZINC001603215164 972327077 /nfs/dbraw/zinc/32/70/77/972327077.db2.gz BQYAAOCTCAXXLO-HUUCEWRRSA-N -1 0 317.429 3.720 20 0 DHADRM Cc1ccc(NC(=O)NCCCCCC(=O)[O-])c(Cl)c1C ZINC001594372881 958553710 /nfs/dbraw/zinc/55/37/10/958553710.db2.gz ZAYVHGAXWZASDU-UHFFFAOYSA-N -1 0 312.797 3.723 20 0 DHADRM CCC[C@@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128157288 958638186 /nfs/dbraw/zinc/63/81/86/958638186.db2.gz KWHHJZQVZVWKBY-MRVPVSSYSA-N -1 0 314.179 3.522 20 0 DHADRM Cc1ccc2nc(C(=O)Nc3sccc3C(=O)[O-])ccc2c1 ZINC001594383214 958650807 /nfs/dbraw/zinc/65/08/07/958650807.db2.gz RRTMHXKFBUHEMZ-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM Cc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1C ZINC001594390173 958703175 /nfs/dbraw/zinc/70/31/75/958703175.db2.gz FDANYLJWCVLUMA-ZDUSSCGKSA-N -1 0 317.429 3.618 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573391924 958708549 /nfs/dbraw/zinc/70/85/49/958708549.db2.gz ZRJJOGCZUGLSCY-YJNKXOJESA-N -1 0 309.450 3.599 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H](F)CC1CCCCC1)C(=O)[O-] ZINC001573395940 958716955 /nfs/dbraw/zinc/71/69/55/958716955.db2.gz QUPGFTCKSOJEJA-KBPBESRZSA-N -1 0 315.429 3.691 20 0 DHADRM Cc1cccc(C)c1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594400619 958852367 /nfs/dbraw/zinc/85/23/67/958852367.db2.gz JFLOYNHLPFEBNA-ZDUSSCGKSA-N -1 0 306.406 3.704 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)ccc1Cl ZINC000136708154 958907169 /nfs/dbraw/zinc/90/71/69/958907169.db2.gz SKMNXAXXGYAAAV-LLVKDONJSA-N -1 0 318.200 3.613 20 0 DHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cccc(Cl)c1Cl ZINC000136724025 958908070 /nfs/dbraw/zinc/90/80/70/958908070.db2.gz DDHSYOAHOGNIHS-JTQLQIEISA-N -1 0 318.200 3.613 20 0 DHADRM Cc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1Cl ZINC001594407829 958914917 /nfs/dbraw/zinc/91/49/17/958914917.db2.gz CSVHDYJTNKOGBT-UHFFFAOYSA-N -1 0 318.756 3.633 20 0 DHADRM CC(C)(C)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001573463887 958932120 /nfs/dbraw/zinc/93/21/20/958932120.db2.gz PPYXCMNJFBZHDJ-INIZCTEOSA-N -1 0 311.381 3.540 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ncccc1C(=O)[O-] ZINC001594410975 958947438 /nfs/dbraw/zinc/94/74/38/958947438.db2.gz HADRNUCKOQNZMN-CHWSQXEVSA-N -1 0 324.380 3.708 20 0 DHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001573474745 958957018 /nfs/dbraw/zinc/95/70/18/958957018.db2.gz LQCSWSQKGPBVOA-UHFFFAOYSA-N -1 0 317.429 3.506 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001573485205 958993741 /nfs/dbraw/zinc/99/37/41/958993741.db2.gz XUVKLQLOWCOPSW-GOEBONIOSA-N -1 0 317.429 3.595 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)[C@H](C)C(=O)[O-])C1CCC(C)CC1 ZINC001594415922 959003104 /nfs/dbraw/zinc/00/31/04/959003104.db2.gz UFCLHZHOKWPGIN-RZUWBANKSA-N -1 0 317.429 3.699 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594415971 959004590 /nfs/dbraw/zinc/00/45/90/959004590.db2.gz XSIIHEPMTAQQBK-CVEARBPZSA-N -1 0 319.445 3.742 20 0 DHADRM Cc1ccccc1C1(NC(=O)c2cccc(C(=O)[O-])c2)CCC1 ZINC001594416498 959007316 /nfs/dbraw/zinc/00/73/16/959007316.db2.gz FCNQPYXDDDCUCI-UHFFFAOYSA-N -1 0 309.365 3.502 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001573490102 959012494 /nfs/dbraw/zinc/01/24/94/959012494.db2.gz VUPAXZSGGYUOCX-QGZVFWFLSA-N -1 0 317.429 3.707 20 0 DHADRM Cc1ccccc1N(C(=O)c1coc(/C=C\C(=O)[O-])c1)C(C)C ZINC001594417850 959025510 /nfs/dbraw/zinc/02/55/10/959025510.db2.gz GMNKPWZOFGJEHV-HJWRWDBZSA-N -1 0 313.353 3.741 20 0 DHADRM CC(C)[C@@H]1N(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC12CCCCCC2 ZINC001573500626 959057733 /nfs/dbraw/zinc/05/77/33/959057733.db2.gz BENMJLMWWWJIKW-IFXJQAMLSA-N -1 0 321.461 3.695 20 0 DHADRM Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000158294224 959086773 /nfs/dbraw/zinc/08/67/73/959086773.db2.gz MQIBKNCKWKOSGR-MHWRWJLKSA-N -1 0 320.348 3.547 20 0 DHADRM CC(C)CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)C1CCCC1 ZINC001573516763 959104508 /nfs/dbraw/zinc/10/45/08/959104508.db2.gz GWTJFWXWXNOSEG-UHFFFAOYSA-N -1 0 319.405 3.602 20 0 DHADRM CSCCCCCCC(=O)Nc1sccc1C(=O)[O-] ZINC001594184387 959104611 /nfs/dbraw/zinc/10/46/11/959104611.db2.gz CWRXLYVPKINSKI-UHFFFAOYSA-N -1 0 301.433 3.698 20 0 DHADRM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001594195238 959191022 /nfs/dbraw/zinc/19/10/22/959191022.db2.gz TVNZLGBMORPSPC-CYBMUJFWSA-N -1 0 311.403 3.525 20 0 DHADRM CSc1ccccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594197951 959212946 /nfs/dbraw/zinc/21/29/46/959212946.db2.gz NXSIRYKLOWANEG-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM CC(C)c1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)c(C(C)C)c1 ZINC001573567421 959295921 /nfs/dbraw/zinc/29/59/21/959295921.db2.gz WULGZHFLIFNCSU-UHFFFAOYSA-N -1 0 315.373 3.607 20 0 DHADRM CC(C)(C)c1nc(CNc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000169288415 959407315 /nfs/dbraw/zinc/40/73/15/959407315.db2.gz LNMRTVSHEXKNCB-UHFFFAOYSA-N -1 0 308.378 3.890 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000181871934 959440890 /nfs/dbraw/zinc/44/08/90/959440890.db2.gz WGFSUOLHKSJDBV-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM Cc1nc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2s1 ZINC001594464065 959487721 /nfs/dbraw/zinc/48/77/21/959487721.db2.gz AKIIUAIBZKMBNG-UHFFFAOYSA-N -1 0 318.398 3.578 20 0 DHADRM CCC(C)(C)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191633667 959587111 /nfs/dbraw/zinc/58/71/11/959587111.db2.gz JZCNRJDAHIYMJL-MRXNPFEDSA-N -1 0 317.429 3.745 20 0 DHADRM CCCN(CC1CC1)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000192890087 959595206 /nfs/dbraw/zinc/59/52/06/959595206.db2.gz IRVZFSGFWHQLSX-GFCCVEGCSA-N -1 0 321.442 3.514 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001588632990 959627336 /nfs/dbraw/zinc/62/73/36/959627336.db2.gz CUTXYGPQMOSEJH-OAHLLOKOSA-N -1 0 319.401 3.693 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001588634713 959641756 /nfs/dbraw/zinc/64/17/56/959641756.db2.gz SSKATUXGPGVDCV-GFCCVEGCSA-N -1 0 320.776 3.574 20 0 DHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001573667245 959699419 /nfs/dbraw/zinc/69/94/19/959699419.db2.gz DTODPXRDCLUNLI-HXUWFJFHSA-N -1 0 321.376 3.697 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC001573667876 959711347 /nfs/dbraw/zinc/71/13/47/959711347.db2.gz ZAGQPRRIGFCOGS-GJZGRUSLSA-N -1 0 317.429 3.662 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001588643189 959713395 /nfs/dbraw/zinc/71/33/95/959713395.db2.gz NMAYRLARDAZYOS-TZMCWYRMSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(F)cc2ccoc21)C(=O)[O-] ZINC001588647389 959745754 /nfs/dbraw/zinc/74/57/54/959745754.db2.gz FTEOJUWGEXJYBT-ZDUSSCGKSA-N -1 0 321.348 3.581 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-] ZINC001588647973 959747506 /nfs/dbraw/zinc/74/75/06/959747506.db2.gz JIPQUXYRNNBDKY-HNNXBMFYSA-N -1 0 303.402 3.573 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC001588648772 959750751 /nfs/dbraw/zinc/75/07/51/959750751.db2.gz QSCNYDULRKRKSY-LBPRGKRZSA-N -1 0 313.344 3.634 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCC1 ZINC000217447808 959774904 /nfs/dbraw/zinc/77/49/04/959774904.db2.gz RXMYBPQLUMILRP-UHFFFAOYSA-N -1 0 313.756 3.843 20 0 DHADRM C[C@@H]1CN(C)c2ccccc2N(Cc2ccc(C(=O)[O-])s2)C1 ZINC001573747644 960511108 /nfs/dbraw/zinc/51/11/08/960511108.db2.gz GRWWYSLMZZJMQL-GFCCVEGCSA-N -1 0 316.426 3.539 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001574257578 960545167 /nfs/dbraw/zinc/54/51/67/960545167.db2.gz QIRWHGKTPAECIR-XQRVVYSFSA-N -1 0 317.366 3.660 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001574286313 960659503 /nfs/dbraw/zinc/65/95/03/960659503.db2.gz MMFLXGGZFSXSSF-CYBMUJFWSA-N -1 0 303.402 3.608 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001605808425 972522698 /nfs/dbraw/zinc/52/26/98/972522698.db2.gz CXAWGZMVTCVSBC-UHFFFAOYSA-N -1 0 309.365 3.582 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001574286684 960664141 /nfs/dbraw/zinc/66/41/41/960664141.db2.gz XRZDFKKLQMHRIP-CYBMUJFWSA-N -1 0 318.417 3.543 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001573770531 960664978 /nfs/dbraw/zinc/66/49/78/960664978.db2.gz SJFZJQCIIITUKA-HNNXBMFYSA-N -1 0 305.418 3.603 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001573770700 960667015 /nfs/dbraw/zinc/66/70/15/960667015.db2.gz VSDGOGRIPREEAK-ZFWWWQNUSA-N -1 0 317.429 3.557 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC001574289367 960672996 /nfs/dbraw/zinc/67/29/96/960672996.db2.gz JMKUZUPPKLDKIH-UHTWSYAYSA-N -1 0 302.326 3.538 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001573776695 960694952 /nfs/dbraw/zinc/69/49/52/960694952.db2.gz ZKHJZYWTIJZPIS-JSGCOSHPSA-N -1 0 304.390 3.529 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001605808619 972526793 /nfs/dbraw/zinc/52/67/93/972526793.db2.gz RZKKBDSKSNYXKK-UHFFFAOYSA-N -1 0 321.332 3.575 20 0 DHADRM CCCCC[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000236651461 960723063 /nfs/dbraw/zinc/72/30/63/960723063.db2.gz BYHCALUOQVICHZ-KRWDZBQOSA-N -1 0 313.397 3.532 20 0 DHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000236662238 960724809 /nfs/dbraw/zinc/72/48/09/960724809.db2.gz UWGOKBFSDDJAJE-CQSZACIVSA-N -1 0 303.383 3.573 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC001573785750 960736139 /nfs/dbraw/zinc/73/61/39/960736139.db2.gz YUPDRLQDWJVWDM-UHFFFAOYSA-N -1 0 312.369 3.578 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC000236749130 960749632 /nfs/dbraw/zinc/74/96/32/960749632.db2.gz IHHMUBUBNSCCDP-FZMZJTMJSA-N -1 0 305.349 3.701 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C1CCc2ccccc2CC1 ZINC001261843302 960763613 /nfs/dbraw/zinc/76/36/13/960763613.db2.gz BWGWTEBRBKYQKF-UHFFFAOYSA-N -1 0 323.392 3.827 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCCC[C@H]2C(C)C)c1 ZINC001574315429 960779458 /nfs/dbraw/zinc/77/94/58/960779458.db2.gz MPJNQVUPOAAKDM-INIZCTEOSA-N -1 0 303.402 3.734 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000155089360 1013200486 /nfs/dbraw/zinc/20/04/86/1013200486.db2.gz URGGXUBYTAEFJT-LLVKDONJSA-N -1 0 307.337 3.558 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])s1 ZINC000236979382 960821173 /nfs/dbraw/zinc/82/11/73/960821173.db2.gz HCOTWGOMHGHTSS-UHFFFAOYSA-N -1 0 323.801 3.762 20 0 DHADRM Cc1cc(C(C)(C)C)ccc1OC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001574320050 960824489 /nfs/dbraw/zinc/82/44/89/960824489.db2.gz ZSFDKPAJSDNZJI-GOSISDBHSA-N -1 0 304.386 3.699 20 0 DHADRM Cc1cc(C)c2cc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc2n1 ZINC001574321707 960826363 /nfs/dbraw/zinc/82/63/63/960826363.db2.gz BXRCJWHWYVHZSA-LJQANCHMSA-N -1 0 324.380 3.601 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000237025956 960839661 /nfs/dbraw/zinc/83/96/61/960839661.db2.gz VPIGLKZDCULKHK-OAGGEKHMSA-N -1 0 309.450 3.743 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1Cl ZINC000237569087 960962293 /nfs/dbraw/zinc/96/22/93/960962293.db2.gz KVYRFAIYSGULBY-VIFPVBQESA-N -1 0 315.772 3.547 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237629810 960979685 /nfs/dbraw/zinc/97/96/85/960979685.db2.gz OCBXRCKUBGXDLH-ZDUSSCGKSA-N -1 0 315.394 3.732 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001321024752 960995761 /nfs/dbraw/zinc/99/57/61/960995761.db2.gz OFKDONYDMXGQFK-GDBMZVCRSA-N -1 0 305.418 3.843 20 0 DHADRM Cc1[nH]c2ccc(C(=O)NCCCCCCC(=O)[O-])cc2c1C ZINC000237699339 961000069 /nfs/dbraw/zinc/00/00/69/961000069.db2.gz UZEJJGHJAXYJHE-UHFFFAOYSA-N -1 0 316.401 3.550 20 0 DHADRM CC[C@@H](F)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001573829569 961001603 /nfs/dbraw/zinc/00/16/03/961001603.db2.gz BJFBPSIPWWHAQG-PSASIEDQSA-N -1 0 313.394 3.648 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001574357037 961006892 /nfs/dbraw/zinc/00/68/92/961006892.db2.gz LLKNJQQURCUOLZ-XEHSLEBBSA-N -1 0 313.353 3.519 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCC1CCCC1)c1ccccc1 ZINC000237735284 961011567 /nfs/dbraw/zinc/01/15/67/961011567.db2.gz MGLHJWCPNDTUFO-KDOFPFPSSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])CCCCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000237921328 961042048 /nfs/dbraw/zinc/04/20/48/961042048.db2.gz HSMOWYAKMABSGR-UHFFFAOYSA-N -1 0 303.402 3.719 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000238141104 961124711 /nfs/dbraw/zinc/12/47/11/961124711.db2.gz QYEXGXNTWCMGFT-UHFFFAOYSA-N -1 0 303.745 3.610 20 0 DHADRM CC(C)(C)SCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588738700 961140309 /nfs/dbraw/zinc/14/03/09/961140309.db2.gz PUCWLQWMPVNJSV-CYBMUJFWSA-N -1 0 315.479 3.544 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)Cc3ccsc3)ccc2s1 ZINC000238208532 961161894 /nfs/dbraw/zinc/16/18/94/961161894.db2.gz RQSHSXZGEFRBJQ-UHFFFAOYSA-N -1 0 317.391 3.842 20 0 DHADRM Cc1cccc([C@@H](NC(=O)c2cc3c(cccc3C)o2)C(=O)[O-])c1 ZINC001574390752 961177862 /nfs/dbraw/zinc/17/78/62/961177862.db2.gz DBHLIYIPUWWLFJ-QGZVFWFLSA-N -1 0 323.348 3.605 20 0 DHADRM CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743933 961224605 /nfs/dbraw/zinc/22/46/05/961224605.db2.gz JPQKKGMLPQLYGW-QWHCGFSZSA-N -1 0 313.850 3.754 20 0 DHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001574401843 961237598 /nfs/dbraw/zinc/23/75/98/961237598.db2.gz FJUZFYYOTVHARL-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1cccc2ncnc(N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)c12 ZINC001574403481 961248812 /nfs/dbraw/zinc/24/88/12/961248812.db2.gz UYZFSLCZNCSNJA-GOEBONIOSA-N -1 0 319.364 3.663 20 0 DHADRM CC(C)(C)c1ccc(/C=C\C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001588770232 961259422 /nfs/dbraw/zinc/25/94/22/961259422.db2.gz DHIVUJCPSPCZAE-FLIBITNWSA-N -1 0 317.429 3.614 20 0 DHADRM CC(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000683329709 1013246483 /nfs/dbraw/zinc/24/64/83/1013246483.db2.gz BBUCOFSYBNYLKV-UHFFFAOYSA-N -1 0 303.383 3.897 20 0 DHADRM Cc1nc2cc(NC(=O)c3ccc(C(=O)[O-])cc3)ccc2s1 ZINC001574426767 961367452 /nfs/dbraw/zinc/36/74/52/961367452.db2.gz JTDFTWNJTOUIJN-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000262069272 961429389 /nfs/dbraw/zinc/42/93/89/961429389.db2.gz ACGOUAOBRKKSJH-UHFFFAOYSA-N -1 0 315.413 3.500 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588803627 961453211 /nfs/dbraw/zinc/45/32/11/961453211.db2.gz HOEFKNUXIMNGPH-BBWFWOEESA-N -1 0 317.429 3.576 20 0 DHADRM CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC001573924580 961541612 /nfs/dbraw/zinc/54/16/12/961541612.db2.gz KVZRWKRXLOPCGQ-LBPRGKRZSA-N -1 0 311.809 3.568 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001573924980 961543603 /nfs/dbraw/zinc/54/36/03/961543603.db2.gz SMPNUZFNNCLKBA-FZKQIMNGSA-N -1 0 318.369 3.501 20 0 DHADRM CCSc1ccccc1CC(=O)Nc1sccc1C(=O)[O-] ZINC001573932436 961588344 /nfs/dbraw/zinc/58/83/44/961588344.db2.gz UQCHPWPGJKWTOU-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM CCSCc1ccccc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001573932438 961588678 /nfs/dbraw/zinc/58/86/78/961588678.db2.gz UTCDZRMTGJRTTG-UHFFFAOYSA-N -1 0 323.458 3.513 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCCc2ccccc21 ZINC000262249348 961591588 /nfs/dbraw/zinc/59/15/88/961591588.db2.gz CYWMTRZFLCSAPA-FQEVSTJZSA-N -1 0 323.392 3.546 20 0 DHADRM CC[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C)c(F)c1 ZINC001573936014 961591859 /nfs/dbraw/zinc/59/18/59/961591859.db2.gz CDAAEGLNPZFIOQ-VNHYZAJKSA-N -1 0 308.349 3.629 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262376750 961681383 /nfs/dbraw/zinc/68/13/83/961681383.db2.gz YEGOBXGCYSJOJM-NWDGAFQWSA-N -1 0 323.355 3.506 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@H]2CCC[C@H](F)C2)cccc1C(=O)[O-] ZINC001333383748 961709983 /nfs/dbraw/zinc/70/99/83/961709983.db2.gz PDXHOMQPCBIOLK-RYUDHWBXSA-N -1 0 323.364 3.639 20 0 DHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262435330 961717284 /nfs/dbraw/zinc/71/72/84/961717284.db2.gz GHYFWRMVTNFDJI-UHFFFAOYSA-N -1 0 323.776 3.625 20 0 DHADRM CC(C)C1CCC(CNC(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001588841065 961799554 /nfs/dbraw/zinc/79/95/54/961799554.db2.gz HSTZYOSQPNKJNV-UHFFFAOYSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2C)C1(C)C ZINC001334357284 961802184 /nfs/dbraw/zinc/80/21/84/961802184.db2.gz DNFHGHGMHRGZNH-DZGCQCFKSA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001588841602 961806619 /nfs/dbraw/zinc/80/66/19/961806619.db2.gz MWBMDFLEOMBNMK-TZMCWYRMSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)[C@H]1N(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC12CCCCC2 ZINC001588842908 961832593 /nfs/dbraw/zinc/83/25/93/961832593.db2.gz RZXVSBSCVSDIGM-ZIAGYGMSSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262740067 961840263 /nfs/dbraw/zinc/84/02/63/961840263.db2.gz WGDQHMQPEFJZMO-DJIMGWMZSA-N -1 0 317.429 3.705 20 0 DHADRM CC(C)C[C@@H](C)N(C(=O)[C@@H](C)C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001588846661 961884063 /nfs/dbraw/zinc/88/40/63/961884063.db2.gz XUCAAMSFNRXSNU-CHWSQXEVSA-N -1 0 316.401 3.656 20 0 DHADRM C[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000262847146 961914203 /nfs/dbraw/zinc/91/42/03/961914203.db2.gz CSWZZEMNGBNANO-CYBMUJFWSA-N -1 0 309.365 3.676 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001574534537 961915309 /nfs/dbraw/zinc/91/53/09/961915309.db2.gz JTUSAFNFZPENPL-MSOLQXFVSA-N -1 0 324.376 3.697 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001588867463 962023926 /nfs/dbraw/zinc/02/39/26/962023926.db2.gz KWVNMVWGJPAYLE-AATRIKPKSA-N -1 0 319.401 3.666 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001588867464 962024111 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DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CC1(Cl)Cl ZINC000155528011 1013899637 /nfs/dbraw/zinc/89/96/37/1013899637.db2.gz LJMFGPNCIGHHGI-RXMQYKEDSA-N -1 0 314.983 3.831 20 0 DHADRM Cc1ccc(NC(=O)NCCCCC(=O)[O-])c(Cl)c1Cl ZINC001329232111 969712525 /nfs/dbraw/zinc/71/25/25/969712525.db2.gz PJDRHDBCDBAYOX-UHFFFAOYSA-N -1 0 319.188 3.678 20 0 DHADRM C[C@H]1CCN(C(=O)c2c([O-])cccc2F)[C@H](c2ccco2)C1 ZINC000127453423 1013901706 /nfs/dbraw/zinc/90/17/06/1013901706.db2.gz ZNCZBLCJUJFQAF-AAEUAGOBSA-N -1 0 303.333 3.738 20 0 DHADRM C/C(=C\C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC001573386195 969809510 /nfs/dbraw/zinc/80/95/10/969809510.db2.gz PJMHWWIXBCIDJI-CEFACKQISA-N -1 0 323.820 3.606 20 0 DHADRM Cc1ccc(C)c(C(=O)NCC2(C)CCCCC2)c1C(=O)[O-] ZINC000389127417 1013916987 /nfs/dbraw/zinc/91/69/87/1013916987.db2.gz NEAQCDKTNISQTK-UHFFFAOYSA-N -1 0 303.402 3.702 20 0 DHADRM Cc1csc2c1ncnc2N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091509 1013993029 /nfs/dbraw/zinc/99/30/29/1013993029.db2.gz FJXRHFYXDKGUFM-OUAUKWLOSA-N -1 0 319.430 3.547 20 0 DHADRM CC(C)(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CC1 ZINC001609744126 970509180 /nfs/dbraw/zinc/50/91/80/970509180.db2.gz OGAXPCYDWCWVHK-UHFFFAOYSA-N -1 0 315.413 3.527 20 0 DHADRM C[C@@H](SCCC(=O)[O-])c1nnc(-c2ccccc2F)s1 ZINC001610003300 970635915 /nfs/dbraw/zinc/63/59/15/970635915.db2.gz ICWUUTWBAAGNAO-MRVPVSSYSA-N -1 0 312.391 3.613 20 0 DHADRM CC[C@@H](S[C@H](C)c1nc(-c2ccccc2C)no1)C(=O)[O-] ZINC001610170499 970689994 /nfs/dbraw/zinc/68/99/94/970689994.db2.gz NCSRVKJHLXDUJB-ZYHUDNBSSA-N -1 0 306.387 3.702 20 0 DHADRM CSc1c(F)cccc1C(=O)Nc1sccc1C(=O)[O-] ZINC001604958469 972539367 /nfs/dbraw/zinc/53/93/67/972539367.db2.gz PSNKURPOIKJBTF-UHFFFAOYSA-N -1 0 311.359 3.560 20 0 DHADRM Cc1sc(C(=O)[O-])cc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000564585877 1014052909 /nfs/dbraw/zinc/05/29/09/1014052909.db2.gz NLMLAMQPMMVXCQ-GFCCVEGCSA-N -1 0 318.394 3.837 20 0 DHADRM CC1(C)CN(C(=O)C2(CC(=O)[O-])CCC2)c2ccc(Cl)cc21 ZINC001603329215 972690522 /nfs/dbraw/zinc/69/05/22/972690522.db2.gz FCNOZECXABLTSG-UHFFFAOYSA-N -1 0 321.804 3.609 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC001605901235 972735043 /nfs/dbraw/zinc/73/50/43/972735043.db2.gz NABMQLZHBILWHZ-LBPRGKRZSA-N -1 0 315.291 3.535 20 0 DHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603371970 972901050 /nfs/dbraw/zinc/90/10/50/972901050.db2.gz JWKCKDMXXLCEFG-UWNIJABGSA-N -1 0 319.401 3.664 20 0 DHADRM Cc1cc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)nc(C2CCC2)n1 ZINC001605213460 972956260 /nfs/dbraw/zinc/95/62/60/972956260.db2.gz LCFRTSTVZVFZDA-FPMFFAJLSA-N -1 0 317.433 3.600 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000397086390 972966050 /nfs/dbraw/zinc/96/60/50/972966050.db2.gz JAFRYGAMSNVCER-UONOGXRCSA-N -1 0 311.337 3.528 20 0 DHADRM Cc1ccc(-c2ccc(C)c(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)c2)o1 ZINC001605232326 972985524 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Cc1cccc(Cl)c1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001605339658 973227868 /nfs/dbraw/zinc/22/78/68/973227868.db2.gz YOUKDGUCMWUPOL-UHFFFAOYSA-N -1 0 318.756 3.633 20 0 DHADRM O=C([O-])CC1(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CCC1 ZINC001606074463 973228760 /nfs/dbraw/zinc/22/87/60/973228760.db2.gz FNDYGEILMWVKIA-ZDUSSCGKSA-N -1 0 308.761 3.516 20 0 DHADRM Cc1cccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001605345005 973235751 /nfs/dbraw/zinc/23/57/51/973235751.db2.gz MBTHXTDHAFBSAR-CQSZACIVSA-N -1 0 314.385 3.501 20 0 DHADRM C[C@@H]1CN(c2ccc(Nc3cccc([S-])c3)cn2)C[C@H](C)O1 ZINC001210945781 1014093811 /nfs/dbraw/zinc/09/38/11/1014093811.db2.gz UWUCFHOKOVUOPB-BETUJISGSA-N -1 0 315.442 3.728 20 0 DHADRM Cc1cccc2nc(NC[C@@](C)(C(=O)[O-])c3ccccc3)oc21 ZINC001605349892 973249745 /nfs/dbraw/zinc/24/97/45/973249745.db2.gz OEODKHYVHKINTO-GOSISDBHSA-N -1 0 310.353 3.591 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC001210967602 1014098400 /nfs/dbraw/zinc/09/84/00/1014098400.db2.gz MCGQOHGCOINMEK-UHFFFAOYSA-N -1 0 324.380 3.755 20 0 DHADRM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605355565 973263929 /nfs/dbraw/zinc/26/39/29/973263929.db2.gz DREPJUYYVRINPA-LBPRGKRZSA-N -1 0 315.344 3.650 20 0 DHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccccc1C(=O)[O-] ZINC001210967664 1014097870 /nfs/dbraw/zinc/09/78/70/1014097870.db2.gz POSQWHUUCRAMBU-UHFFFAOYSA-N -1 0 312.369 3.657 20 0 DHADRM O=C([O-])c1cc(Cl)cc(Nc2nc(Cl)cnc2Cl)c1 ZINC001211960792 1025838522 /nfs/dbraw/zinc/83/85/22/1025838522.db2.gz MWIKFLDNPPQULR-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM O=C([O-])c1ccccc1Nc1ccc(O)cc1Br ZINC001210968140 1014098780 /nfs/dbraw/zinc/09/87/80/1014098780.db2.gz FTZQDGZSMSAJOJ-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000401285772 973350691 /nfs/dbraw/zinc/35/06/91/973350691.db2.gz KDXZQYHCDYZASK-NSHDSACASA-N -1 0 318.200 3.613 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(c2cccc(C)c2)CCCCC1 ZINC001603492575 973441377 /nfs/dbraw/zinc/44/13/77/973441377.db2.gz WBRAVKHDZRMGMQ-INIZCTEOSA-N -1 0 317.429 3.519 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc3cnccc3c2)c1 ZINC001606215437 973463269 /nfs/dbraw/zinc/46/32/69/973463269.db2.gz ASRJDFKATVJIBT-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM CC[C@](C)(NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001603508746 973496633 /nfs/dbraw/zinc/49/66/33/973496633.db2.gz VVAHQKWMAYJDQJ-SFHVURJKSA-N -1 0 315.344 3.579 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001603523289 973558884 /nfs/dbraw/zinc/55/88/84/973558884.db2.gz IZCLESPPQOLXKF-JKSUJKDBSA-N -1 0 317.429 3.720 20 0 DHADRM CCC(CC)(CNC(=O)Nc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC001603536878 973592468 /nfs/dbraw/zinc/59/24/68/973592468.db2.gz QWVAKOXMRVYCAT-UHFFFAOYSA-N -1 0 312.797 3.661 20 0 DHADRM O=C([O-])Cc1ccc(Oc2nc(C(F)(F)F)cs2)cc1 ZINC001606307863 973718920 /nfs/dbraw/zinc/71/89/20/973718920.db2.gz OAPZRHSZDADVBC-UHFFFAOYSA-N -1 0 303.261 3.581 20 0 DHADRM CC[C@@H](OC(=O)CCCC(=O)[O-])c1c(F)cccc1Cl ZINC001603586920 973773975 /nfs/dbraw/zinc/77/39/75/973773975.db2.gz CIXDAKYOKSXMRK-LLVKDONJSA-N -1 0 302.729 3.728 20 0 DHADRM C[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000319624891 1014142613 /nfs/dbraw/zinc/14/26/13/1014142613.db2.gz BDYKWWOUUDZKEE-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM COc1cc(NCc2cccc(C(=O)[O-])c2)cc(Cl)c1OC ZINC001604731234 973932162 /nfs/dbraw/zinc/93/21/62/973932162.db2.gz CLGQERWZTVMSFL-UHFFFAOYSA-N -1 0 321.760 3.668 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603632628 973952379 /nfs/dbraw/zinc/95/23/79/973952379.db2.gz FAUZJEPMMACXQD-LJISPDSOSA-N -1 0 311.466 3.700 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001606483863 973970053 /nfs/dbraw/zinc/97/00/53/973970053.db2.gz YNVGKLNOYUSPBP-DJIMGWMZSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1ccc(COC(=O)C2CCc3ccccc3CC2)cc1 ZINC001606495404 973981835 /nfs/dbraw/zinc/98/18/35/973981835.db2.gz YEPMACJVFHIIPE-UHFFFAOYSA-N -1 0 324.376 3.623 20 0 DHADRM CCCCC1CCC(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001603641064 973988321 /nfs/dbraw/zinc/98/83/21/973988321.db2.gz JPPJPAGLZSUASA-SLTXQBBLSA-N -1 0 309.450 3.552 20 0 DHADRM O=C([O-])c1cccc(C(=O)Oc2cccc(-c3ccncc3)c2)c1 ZINC001606509531 974001537 /nfs/dbraw/zinc/00/15/37/974001537.db2.gz LFKPYMIXXIQFJJ-UHFFFAOYSA-N -1 0 319.316 3.666 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)/C=C\C2CCCCCC2)cc1 ZINC001605659843 974054422 /nfs/dbraw/zinc/05/44/22/974054422.db2.gz NJTRGMMGQOFVFN-XFXZXTDPSA-N -1 0 301.386 3.528 20 0 DHADRM CCN(C(=O)Nc1ccc(CCC(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001603715580 974137293 /nfs/dbraw/zinc/13/72/93/974137293.db2.gz ISLFQRCUKBHFIE-ZDUSSCGKSA-N -1 0 306.406 3.602 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000485843109 974238493 /nfs/dbraw/zinc/23/84/93/974238493.db2.gz DQTONCQXPYVULE-CQSZACIVSA-N -1 0 321.417 3.899 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000485997758 974242902 /nfs/dbraw/zinc/24/29/02/974242902.db2.gz BISXHUMTPGJSBX-KSSFIOAISA-N -1 0 317.429 3.804 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000656236869 1014179067 /nfs/dbraw/zinc/17/90/67/1014179067.db2.gz XDIJVNSQGBSPDV-GDBMZVCRSA-N -1 0 303.402 3.631 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(Cl)c1 ZINC000538575126 974391176 /nfs/dbraw/zinc/39/11/76/974391176.db2.gz MRNFJYAKNGJNSD-UHFFFAOYSA-N -1 0 303.745 3.610 20 0 DHADRM Cc1cc(Cl)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540774792 974407420 /nfs/dbraw/zinc/40/74/20/974407420.db2.gz UUBKJXSGEYMRTA-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001603969123 974454278 /nfs/dbraw/zinc/45/42/78/974454278.db2.gz YSWPVCVMGXTHSH-SWLSCSKDSA-N -1 0 318.417 3.528 20 0 DHADRM CCCc1cccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000564452955 974548230 /nfs/dbraw/zinc/54/82/30/974548230.db2.gz JKNQGHPHQGNVSH-NSHDSACASA-N -1 0 304.415 3.645 20 0 DHADRM Cc1cc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2Cl)on1 ZINC000565104967 974570414 /nfs/dbraw/zinc/57/04/14/974570414.db2.gz WYOABFZRMHAXTD-CYBMUJFWSA-N -1 0 320.776 3.672 20 0 DHADRM CSc1ccccc1CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000573227474 974763002 /nfs/dbraw/zinc/76/30/02/974763002.db2.gz RADSQJGEDUUSQJ-OAHLLOKOSA-N -1 0 313.422 3.987 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c(F)c1 ZINC000573685162 974769702 /nfs/dbraw/zinc/76/97/02/974769702.db2.gz WQJQAAAMFNMXAY-QWHCGFSZSA-N -1 0 305.349 3.679 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c(F)c1 ZINC000573685161 974770001 /nfs/dbraw/zinc/77/00/01/974770001.db2.gz WQJQAAAMFNMXAY-OLZOCXBDSA-N -1 0 305.349 3.679 20 0 DHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)CCC(=O)[O-])C(C)C)cc1 ZINC000574184083 974778881 /nfs/dbraw/zinc/77/88/81/974778881.db2.gz GKWISWGQIGEBMV-UGSOOPFHSA-N -1 0 305.418 3.878 20 0 DHADRM C[C@@H](NCc1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000574277660 974779882 /nfs/dbraw/zinc/77/98/82/974779882.db2.gz 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C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccco1 ZINC001592277914 977557523 /nfs/dbraw/zinc/55/75/23/977557523.db2.gz JPPSNSYZTNZTDK-SECBINFHSA-N -1 0 319.382 3.660 20 0 DHADRM C[C@@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)CC(C)(C)C ZINC001592278226 977561637 /nfs/dbraw/zinc/56/16/37/977561637.db2.gz QSOXNUGGUAKULO-JTQLQIEISA-N -1 0 317.389 3.662 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000580870455 1014412812 /nfs/dbraw/zinc/41/28/12/1014412812.db2.gz DKBCBCJTVCTSSZ-UHFFFAOYSA-N -1 0 323.373 3.950 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001592375644 977911842 /nfs/dbraw/zinc/91/18/42/977911842.db2.gz OWFXSFHNTXQKDG-GDBMZVCRSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1c2ccccc2C(C)(C)C[C@H]1C ZINC001592375738 977912955 /nfs/dbraw/zinc/91/29/55/977912955.db2.gz UYGNZSCJLWBYTM-QWHCGFSZSA-N -1 0 303.402 3.590 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC001592382012 977922173 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BBBCVWCENVFPHI-SNVBAGLBSA-N -1 0 317.389 3.943 20 0 DHADRM CC[C@@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595033056 979172046 /nfs/dbraw/zinc/17/20/46/979172046.db2.gz BLVKLJKBHMPMNM-KXBFYZLASA-N -1 0 319.445 3.608 20 0 DHADRM CC[C@H](CC(=O)Nc1ccc(OC)cc1C(=O)[O-])C(C)(C)C ZINC001595037260 979205052 /nfs/dbraw/zinc/20/50/52/979205052.db2.gz WHUHGTBFDTYSMQ-LLVKDONJSA-N -1 0 307.390 3.794 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595039888 979218241 /nfs/dbraw/zinc/21/82/41/979218241.db2.gz WUWRACNNCZCGIG-SECBINFHSA-N -1 0 303.280 3.610 20 0 DHADRM CC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCC1 ZINC000841503316 979305870 /nfs/dbraw/zinc/30/58/70/979305870.db2.gz QDAHJQZHFRGGAN-UHFFFAOYSA-N -1 0 316.401 3.504 20 0 DHADRM C[C@H](NC(=O)CCCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000843331370 979340013 /nfs/dbraw/zinc/34/00/13/979340013.db2.gz PNODAPXAGWWDQH-NSHDSACASA-N -1 0 319.788 3.925 20 0 DHADRM CCC(CC)(CNC(=O)c1ccc(C)c2ccccc12)C(=O)[O-] ZINC001595075095 979348173 /nfs/dbraw/zinc/34/81/73/979348173.db2.gz AAUBTWOCZYAOKN-UHFFFAOYSA-N -1 0 313.397 3.769 20 0 DHADRM CCC(CC)(COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(F)(F)F ZINC001595088825 979381676 /nfs/dbraw/zinc/38/16/76/979381676.db2.gz YUYLTLJMTJDHNJ-XYPYZODXSA-N -1 0 324.339 3.789 20 0 DHADRM O=C([O-])C[C@H](NC(=O)/C=C/C1CCCC1)c1cccc(Cl)c1 ZINC000846116480 979405868 /nfs/dbraw/zinc/40/58/68/979405868.db2.gz IEZRWVJXZOFGCD-HVHJFMEUSA-N -1 0 321.804 3.718 20 0 DHADRM O=C([O-])COc1ccc(NC(=O)/C=C\C2CCCCCC2)cc1 ZINC000846119046 979406793 /nfs/dbraw/zinc/40/67/93/979406793.db2.gz WKKSNGCXRHPZCE-GHXNOFRVSA-N -1 0 317.385 3.615 20 0 DHADRM CCC(CC)CC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595109461 979441495 /nfs/dbraw/zinc/44/14/95/979441495.db2.gz BNAXHWIYCQKUNG-MRXNPFEDSA-N -1 0 305.418 3.877 20 0 DHADRM CCC(CC)CN(CC)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595111736 979459451 /nfs/dbraw/zinc/45/94/51/979459451.db2.gz RVUPTYIRXGQSOJ-VQIMIIECSA-N -1 0 317.429 3.530 20 0 DHADRM CCC(CC)N(C(=O)Nc1cc(OC)ccc1C(=O)[O-])C1CC1 ZINC001595116002 979472800 /nfs/dbraw/zinc/47/28/00/979472800.db2.gz KEZKLEXOFAEKLT-UHFFFAOYSA-N -1 0 320.389 3.578 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594996 979507335 /nfs/dbraw/zinc/50/73/35/979507335.db2.gz DUQINGLNKAJARK-CSKARUKUSA-N -1 0 307.390 3.664 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594997 979507463 /nfs/dbraw/zinc/50/74/63/979507463.db2.gz DUQINGLNKAJARK-NTMALXAHSA-N -1 0 307.390 3.664 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001595125658 979509290 /nfs/dbraw/zinc/50/92/90/979509290.db2.gz FOSSQHUKSQDIRN-BMFZPTHFSA-N -1 0 309.450 3.695 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001595126636 979519765 /nfs/dbraw/zinc/51/97/65/979519765.db2.gz XAJUHDLHRODQHZ-HOCLYGCPSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595126680 979521096 /nfs/dbraw/zinc/52/10/96/979521096.db2.gz YKAICSGXRCOIOU-HNNXBMFYSA-N -1 0 309.450 3.839 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000851603484 979526118 /nfs/dbraw/zinc/52/61/18/979526118.db2.gz RTRBUWFXGITFOE-SJKOYZFVSA-N -1 0 309.381 3.807 20 0 DHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)c(Cl)c1 ZINC000581137633 1014586350 /nfs/dbraw/zinc/58/63/50/1014586350.db2.gz XRSPHXBMXIYGES-UHFFFAOYSA-N -1 0 305.761 3.967 20 0 DHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000852831468 979583371 /nfs/dbraw/zinc/58/33/71/979583371.db2.gz SQVIXHCOCPIIHL-JTQLQIEISA-N -1 0 319.357 3.643 20 0 DHADRM COc1ccc(NCc2cc(C(=O)[O-])c(C)o2)cc1OC(C)C ZINC000859795462 979632314 /nfs/dbraw/zinc/63/23/14/979632314.db2.gz NITAXORNDUAYLF-UHFFFAOYSA-N -1 0 319.357 3.694 20 0 DHADRM CC[C@@H](CNC(=O)Nc1cccc(C2CCCCC2)c1)C(=O)[O-] ZINC001595153753 979655627 /nfs/dbraw/zinc/65/56/27/979655627.db2.gz GOFCDTMDNRDDJA-ZDUSSCGKSA-N -1 0 318.417 3.967 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@]2(C)CCC[C@H]2C)cc1)C(=O)[O-] ZINC001592858341 979671056 /nfs/dbraw/zinc/67/10/56/979671056.db2.gz PCMHALAYEKWAGW-VFVRVIDISA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)C23CCC(CC2)CC3)cc1)C(=O)[O-] ZINC001592859055 979679632 /nfs/dbraw/zinc/67/96/32/979679632.db2.gz YLVUKKIVDXMHAZ-CDJWAVJASA-N -1 0 315.413 3.859 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864113285 979705324 /nfs/dbraw/zinc/70/53/24/979705324.db2.gz QDUPKNFRNCCKCS-BQYQJAHWSA-N -1 0 307.390 3.664 20 0 DHADRM CC[C@H](CNC(=O)c1cccc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC001595164269 979706267 /nfs/dbraw/zinc/70/62/67/979706267.db2.gz RHOHERGMCKBTMB-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM C[C@@H](CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(C)(C)C ZINC001592866246 979710861 /nfs/dbraw/zinc/71/08/61/979710861.db2.gz JLCOJMXQAWACOL-STQMWFEESA-N -1 0 320.433 3.754 20 0 DHADRM C[C@H](Cc1ccc(NCc2ncccc2Cl)cc1)C(=O)[O-] ZINC001592876797 979741635 /nfs/dbraw/zinc/74/16/35/979741635.db2.gz CVFWDXCOOJWTGT-LLVKDONJSA-N -1 0 304.777 3.610 20 0 DHADRM C[C@H](Cc1ccc(NCc2cnc3ccccc3n2)cc1)C(=O)[O-] ZINC001592877782 979746216 /nfs/dbraw/zinc/74/62/16/979746216.db2.gz QGTAVINIHWXRGS-CYBMUJFWSA-N -1 0 321.380 3.505 20 0 DHADRM CC[C@H](CNc1ccc(OCC(=O)[O-])cc1C)CC(F)F ZINC001595172955 979747572 /nfs/dbraw/zinc/74/75/72/979747572.db2.gz VJNAXZGNIBIPSC-NSHDSACASA-N -1 0 301.333 3.552 20 0 DHADRM Cc1cc(C(=O)N2CCC(C3CCCCC3)CC2)oc1C(=O)[O-] ZINC000864151743 979762138 /nfs/dbraw/zinc/76/21/38/979762138.db2.gz UZRZMXWLPPLLCC-UHFFFAOYSA-N -1 0 319.401 3.719 20 0 DHADRM CC[C@](CNc1nc(Cl)cs1)(C(=O)[O-])c1ccccc1 ZINC001595176031 979763317 /nfs/dbraw/zinc/76/33/17/979763317.db2.gz LNOXPRIWBGPNMH-CQSZACIVSA-N -1 0 310.806 3.641 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000864160718 979776161 /nfs/dbraw/zinc/77/61/61/979776161.db2.gz QBXASKYUXICKHR-CQSZACIVSA-N -1 0 305.418 3.536 20 0 DHADRM C[C@H](Cc1ccccc1Cl)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592891677 979785067 /nfs/dbraw/zinc/78/50/67/979785067.db2.gz RVYJISSKAIDLFT-LLVKDONJSA-N -1 0 318.756 3.822 20 0 DHADRM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cccc(C(=O)[O-])n1 ZINC001592892109 979789022 /nfs/dbraw/zinc/78/90/22/979789022.db2.gz VUMBBKLTQJNDQP-JTQLQIEISA-N -1 0 324.302 3.842 20 0 DHADRM CC[C@@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC001595181584 979798390 /nfs/dbraw/zinc/79/83/90/979798390.db2.gz FRJYDDGJXAVZHN-MRVPVSSYSA-N -1 0 322.254 3.659 20 0 DHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC[C@@H]2CC=CCC2)c1 ZINC000864171732 979802500 /nfs/dbraw/zinc/80/25/00/979802500.db2.gz DZHSVJJAGYCQJG-LLVKDONJSA-N -1 0 307.777 3.514 20 0 DHADRM C[C@H](Cc1ccco1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001592899252 979813762 /nfs/dbraw/zinc/81/37/62/979813762.db2.gz FNRRHSHFINUIIH-GFCCVEGCSA-N -1 0 324.332 3.915 20 0 DHADRM CC[C@@H](COC(=O)c1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC001595183681 979821119 /nfs/dbraw/zinc/82/11/19/979821119.db2.gz SNHHLEBGCRVSAL-MRVPVSSYSA-N -1 0 322.254 3.659 20 0 DHADRM CCCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1C ZINC000864178586 979824389 /nfs/dbraw/zinc/82/43/89/979824389.db2.gz FWLNXCWJGUKWRU-UHFFFAOYSA-N -1 0 307.390 3.613 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000864179251 979825939 /nfs/dbraw/zinc/82/59/39/979825939.db2.gz SBXIEIMFFWLMOE-KGLIPLIRSA-N -1 0 319.401 3.613 20 0 DHADRM C/C(Cl)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001592918263 979903518 /nfs/dbraw/zinc/90/35/18/979903518.db2.gz HGQHDNQWWIBWPX-FPAJZGIOSA-N -1 0 323.820 3.759 20 0 DHADRM CCC[C@@H](OCC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224610 979910183 /nfs/dbraw/zinc/91/01/83/979910183.db2.gz FARDEAHTJLMIOU-MRXNPFEDSA-N -1 0 315.369 3.682 20 0 DHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226656 979913850 /nfs/dbraw/zinc/91/38/50/979913850.db2.gz MXSFYRGIWXJRLM-KCQAQPDRSA-N -1 0 315.413 3.664 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CC2CCCCC2)c1 ZINC000864228501 979920853 /nfs/dbraw/zinc/92/08/53/979920853.db2.gz NBDPQANPYNAQIZ-MRXNPFEDSA-N -1 0 303.402 3.597 20 0 DHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)c1 ZINC000864228859 979921556 /nfs/dbraw/zinc/92/15/56/979921556.db2.gz QZVXPXDJQACSTK-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM CC[C@@H](CSc1ccccc1)Nc1cccc(C(=O)[O-])n1 ZINC001595202431 979953537 /nfs/dbraw/zinc/95/35/37/979953537.db2.gz BSYMGTWISSYCNK-LBPRGKRZSA-N -1 0 302.399 3.763 20 0 DHADRM CC[C@@H](CSC)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595203921 979970222 /nfs/dbraw/zinc/97/02/22/979970222.db2.gz WZTUBAXCMNNVAR-LBPRGKRZSA-N -1 0 324.446 3.607 20 0 DHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595210937 979986758 /nfs/dbraw/zinc/98/67/58/979986758.db2.gz MUBRVFVAZZGYSV-UKRRQHHQSA-N -1 0 318.394 3.686 20 0 DHADRM CC(F)(F)c1c(F)cccc1NCc1nc(C(=O)[O-])cs1 ZINC001592943672 980015658 /nfs/dbraw/zinc/01/56/58/980015658.db2.gz MRMNYGNFVNVJAW-UHFFFAOYSA-N -1 0 316.304 3.704 20 0 DHADRM CC[C@@H](Cc1ccccc1C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595218303 980031547 /nfs/dbraw/zinc/03/15/47/980031547.db2.gz IINCGINTKMZBIM-AWEZNQCLSA-N -1 0 312.365 3.868 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000520967132 1014623106 /nfs/dbraw/zinc/62/31/06/1014623106.db2.gz GSRWYIFEDLKJOP-MNOVXSKESA-N -1 0 321.471 3.843 20 0 DHADRM CC[C@](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC001595237045 980140868 /nfs/dbraw/zinc/14/08/68/980140868.db2.gz VDIGIIWNZCRQHX-NXEZDXNNSA-N -1 0 317.429 3.565 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000970 980163167 /nfs/dbraw/zinc/16/31/67/980163167.db2.gz BYBVVXNOARVIPB-LURJTMIESA-N -1 0 308.136 3.572 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887316407 980215354 /nfs/dbraw/zinc/21/53/54/980215354.db2.gz PPUDKHPUQGMVQP-AMIZOPFISA-N -1 0 321.270 3.699 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)CCCCc2ccccc2)cc1 ZINC000887325300 980215932 /nfs/dbraw/zinc/21/59/32/980215932.db2.gz LJISKWWBXXOMMQ-UHFFFAOYSA-N -1 0 311.381 3.665 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000899538029 980229446 /nfs/dbraw/zinc/22/94/46/980229446.db2.gz FTPQKQHXPGSBQS-CYBMUJFWSA-N -1 0 319.401 3.654 20 0 DHADRM Cc1nc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)sc1C ZINC000900043686 980239988 /nfs/dbraw/zinc/23/99/88/980239988.db2.gz YHZGAGOWJHNPRP-UONOGXRCSA-N -1 0 302.399 3.560 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cccc(-c2cc[nH]n2)c1 ZINC000901415839 980262095 /nfs/dbraw/zinc/26/20/95/980262095.db2.gz ALECPIIJKOPETK-LBPRGKRZSA-N -1 0 301.390 3.768 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1csc(C)c1 ZINC001595265892 980278383 /nfs/dbraw/zinc/27/83/83/980278383.db2.gz JXRMCCLMRMTTGT-SNVBAGLBSA-N -1 0 309.412 3.697 20 0 DHADRM COc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1OC(C)C ZINC000901451797 980293782 /nfs/dbraw/zinc/29/37/82/980293782.db2.gz TVIBPJVAZFOREF-UHFFFAOYSA-N -1 0 321.417 3.928 20 0 DHADRM CC[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(C(=O)[O-])cc1 ZINC001595279614 980321280 /nfs/dbraw/zinc/32/12/80/980321280.db2.gz SXLSSMBAAMVTBB-BONVTDFDSA-N -1 0 320.339 3.860 20 0 DHADRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001595281106 980330046 /nfs/dbraw/zinc/33/00/46/980330046.db2.gz IKVJNDQTWBZZBF-ZWNOBZJWSA-N -1 0 320.414 3.652 20 0 DHADRM CC[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595282690 980344886 /nfs/dbraw/zinc/34/48/86/980344886.db2.gz XQYJXMDQNQQGEE-GXTWGEPZSA-N -1 0 302.374 3.792 20 0 DHADRM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000901539005 980366372 /nfs/dbraw/zinc/36/63/72/980366372.db2.gz GCGGWOGQRPAUCV-LRDDRELGSA-N -1 0 316.401 3.872 20 0 DHADRM CC(C)c1cnc(CN(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000901592938 980398610 /nfs/dbraw/zinc/39/86/10/980398610.db2.gz VPKRAAZJCDWCDP-UHFFFAOYSA-N -1 0 304.415 3.597 20 0 DHADRM C[C@@H](Nc1cccc(CC(=O)[O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC000901661975 980432141 /nfs/dbraw/zinc/43/21/41/980432141.db2.gz LSGFFQPSUZSTBS-BYCMXARLSA-N -1 0 301.411 3.979 20 0 DHADRM CO[C@H]1C[C@H]2C[C@@H](Nc3ccc(C[C@H](C)C(=O)[O-])cc3)C[C@H]2C1 ZINC000901737088 980471108 /nfs/dbraw/zinc/47/11/08/980471108.db2.gz XVNXIYDHLKMCRK-KOVXWOGCSA-N -1 0 317.429 3.565 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H](C)CC2CCOCC2)cc1)C(=O)[O-] ZINC000901735377 980471220 /nfs/dbraw/zinc/47/12/20/980471220.db2.gz ZZDWUQKZMZSELO-KGLIPLIRSA-N -1 0 305.418 3.567 20 0 DHADRM CSc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000901735911 980471305 /nfs/dbraw/zinc/47/13/05/980471305.db2.gz TYRXSCPIEGJMDA-LLVKDONJSA-N -1 0 305.399 3.877 20 0 DHADRM CC(C)(C)c1csc(CNCc2ccc(C(=O)[O-])cc2F)n1 ZINC000901758916 980489678 /nfs/dbraw/zinc/48/96/78/980489678.db2.gz OGQDGFYBXXSPFW-UHFFFAOYSA-N -1 0 322.405 3.568 20 0 DHADRM CC[C@@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC001595317824 980496580 /nfs/dbraw/zinc/49/65/80/980496580.db2.gz BFVPWUFMRGLJGN-MRXNPFEDSA-N -1 0 303.333 3.680 20 0 DHADRM CC[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595323110 980519503 /nfs/dbraw/zinc/51/95/03/980519503.db2.gz QCHVWBHUZMLWRW-MRXNPFEDSA-N -1 0 322.368 3.529 20 0 DHADRM COc1cccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1OC ZINC000901818551 980538592 /nfs/dbraw/zinc/53/85/92/980538592.db2.gz YQPHCGMNWNSHMG-GFCCVEGCSA-N -1 0 315.369 3.504 20 0 DHADRM CC[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595334537 980584807 /nfs/dbraw/zinc/58/48/07/980584807.db2.gz GGWDAYLXCLRPCH-AUTRQRHGSA-N -1 0 317.168 3.503 20 0 DHADRM CC[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cccc(OC)c1 ZINC001595336168 980591733 /nfs/dbraw/zinc/59/17/33/980591733.db2.gz HMXLSPNQFJZIDE-CQSZACIVSA-N -1 0 308.374 3.581 20 0 DHADRM CC[C@@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595336994 980597183 /nfs/dbraw/zinc/59/71/83/980597183.db2.gz OZFXAEZIGNNNDZ-GMSGAONNSA-N -1 0 305.157 3.503 20 0 DHADRM CC[C@@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC001595336942 980597245 /nfs/dbraw/zinc/59/72/45/980597245.db2.gz MIAAIUTUZCHNCY-ROJDOSBLSA-N -1 0 314.337 3.994 20 0 DHADRM CC[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccccc1 ZINC001595337807 980601794 /nfs/dbraw/zinc/60/17/94/980601794.db2.gz SYAIBKFKFRIKQT-ZWOKBUDYSA-N -1 0 324.376 3.939 20 0 DHADRM CC[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1F ZINC001595338947 980610867 /nfs/dbraw/zinc/61/08/67/980610867.db2.gz YQEHSXNHSVWCNG-CYBMUJFWSA-N -1 0 314.328 3.850 20 0 DHADRM CCOC1CCC(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000901947665 980645374 /nfs/dbraw/zinc/64/53/74/980645374.db2.gz OQRLJCQRWCFAIL-SJJHQCBESA-N -1 0 303.402 3.634 20 0 DHADRM CC[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595351424 980657341 /nfs/dbraw/zinc/65/73/41/980657341.db2.gz CUOZEBQQZGJZPR-OAHLLOKOSA-N -1 0 320.291 3.971 20 0 DHADRM CC[C@H](OC(=O)c1occc1C(=O)[O-])c1ccc(F)cc1F ZINC001595353414 980681598 /nfs/dbraw/zinc/68/15/98/980681598.db2.gz CBTZMZIZTKFTEX-LBPRGKRZSA-N -1 0 310.252 3.564 20 0 DHADRM CC[C@@H](OC(=O)c1sc2cccc(C)c2c1Cl)C(=O)[O-] ZINC001595353722 980684339 /nfs/dbraw/zinc/68/43/39/980684339.db2.gz JIPFKAXMTJWQMD-MRVPVSSYSA-N -1 0 312.774 3.883 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)OCc1ccccc1C(=O)[O-] ZINC001595356269 980710980 /nfs/dbraw/zinc/71/09/80/980710980.db2.gz GNNFCBJNUQDLIW-INIZCTEOSA-N -1 0 320.385 3.556 20 0 DHADRM CC[C@@H](OCCN[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC001595356895 980716745 /nfs/dbraw/zinc/71/67/45/980716745.db2.gz RRMUKHLDJTWYCK-CVEARBPZSA-N -1 0 319.426 3.631 20 0 DHADRM C[C@H](Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902080596 980722721 /nfs/dbraw/zinc/72/27/21/980722721.db2.gz SHSZMLAUIGWDHL-XDTLVQLUSA-N -1 0 309.456 3.686 20 0 DHADRM C[C@H](Nc1cccc(C2SCCS2)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902080594 980722887 /nfs/dbraw/zinc/72/28/87/980722887.db2.gz SHSZMLAUIGWDHL-BIMULSAOSA-N -1 0 309.456 3.686 20 0 DHADRM CC[C@@H](SCc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001595358121 980729145 /nfs/dbraw/zinc/72/91/45/980729145.db2.gz AZGXUJGTSPSAQE-CYBMUJFWSA-N -1 0 310.415 3.738 20 0 DHADRM CCc1oc(CNc2ccc(Cl)c(OC)c2)cc1C(=O)[O-] ZINC000902095616 980731296 /nfs/dbraw/zinc/73/12/96/980731296.db2.gz BSRZJIMEPLZPIV-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC001595358756 980735025 /nfs/dbraw/zinc/73/50/25/980735025.db2.gz IKTXXMIRIADRAZ-ZDUSSCGKSA-N -1 0 320.366 3.592 20 0 DHADRM CCOc1cc(NC2CCC(CC(=O)[O-])CC2)ccc1OC ZINC000902113101 980741197 /nfs/dbraw/zinc/74/11/97/980741197.db2.gz NJCKGJBAOAWUCK-UHFFFAOYSA-N -1 0 307.390 3.539 20 0 DHADRM C[C@H](Nc1cccc(COCc2ccco2)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902119145 980744103 /nfs/dbraw/zinc/74/41/03/980744103.db2.gz QZKLMUBYONFVCH-VUCTXSBTSA-N -1 0 315.369 3.518 20 0 DHADRM CCOc1cc(C)ccc1NCc1cc(C(=O)[O-])c(CC)o1 ZINC000902131173 980750175 /nfs/dbraw/zinc/75/01/75/980750175.db2.gz VCKCACBMISGFKW-UHFFFAOYSA-N -1 0 303.358 3.859 20 0 DHADRM CC[C@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])C(C)C ZINC001595360423 980752078 /nfs/dbraw/zinc/75/20/78/980752078.db2.gz WMQIABUFOICKPD-OAHLLOKOSA-N -1 0 323.458 3.583 20 0 DHADRM CC(C)(CCNc1ccccc1OC[C@H]1CCCCO1)C(=O)[O-] ZINC000902167943 980765194 /nfs/dbraw/zinc/76/51/94/980765194.db2.gz JBXKSHDHLSQFFV-CQSZACIVSA-N -1 0 321.417 3.547 20 0 DHADRM Cc1csc(-c2ccc(N[C@H](C)[C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC000902196935 980778600 /nfs/dbraw/zinc/77/86/00/980778600.db2.gz AMXQVKUGVIUJNN-DDTOSNHZSA-N -1 0 302.399 3.640 20 0 DHADRM Cc1cnc(C(C)(C)NCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000902200069 980779064 /nfs/dbraw/zinc/77/90/64/980779064.db2.gz IFHSSOMDROSLNH-UHFFFAOYSA-N -1 0 324.833 3.828 20 0 DHADRM CC[C@H](c1nnc(S[C@@H](C(=O)[O-])C2CC2)o1)c1ccccc1 ZINC001595363454 980782338 /nfs/dbraw/zinc/78/23/38/980782338.db2.gz CHIXOZBMRNYEFY-QWHCGFSZSA-N -1 0 318.398 3.567 20 0 DHADRM CC[C@@H](c1ccccc1)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001595363883 980787505 /nfs/dbraw/zinc/78/75/05/980787505.db2.gz LPJRWPZLSWFECP-PGEKIEPBSA-N -1 0 313.401 3.636 20 0 DHADRM CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CCCC1 ZINC001595366061 980811224 /nfs/dbraw/zinc/81/12/24/980811224.db2.gz QRULNRGWDNNDFF-OAHLLOKOSA-N -1 0 309.450 3.744 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000902294399 980821056 /nfs/dbraw/zinc/82/10/56/980821056.db2.gz FHYBZRPAOJAROZ-XJKSGUPXSA-N -1 0 321.417 3.546 20 0 DHADRM CCc1oc(CN2CCc3c([nH]c4ccccc43)C2)cc1C(=O)[O-] ZINC000902343383 980841727 /nfs/dbraw/zinc/84/17/27/980841727.db2.gz WCRVTULGTHYJHC-UHFFFAOYSA-N -1 0 324.380 3.580 20 0 DHADRM CC(C)(C)C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)C(F)(F)F ZINC000902430367 980883437 /nfs/dbraw/zinc/88/34/37/980883437.db2.gz CJVUGHDLYAHOKR-DGMVEKRQSA-N -1 0 319.323 3.834 20 0 DHADRM CCC1(CC)[C@@H](Nc2cc(COC)cc(C(=O)[O-])c2)C[C@@H]1OC ZINC001595374447 980883996 /nfs/dbraw/zinc/88/39/96/980883996.db2.gz YVIUCFGMDBCISE-HOTGVXAUSA-N -1 0 321.417 3.537 20 0 DHADRM CC(C)(NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1F ZINC000902439457 980887326 /nfs/dbraw/zinc/88/73/26/980887326.db2.gz BOKVYBOXWZEGKI-UHFFFAOYSA-N -1 0 311.740 3.795 20 0 DHADRM Cc1cc(CN2CC[C@@](F)(c3ccccc3C)C2)oc1C(=O)[O-] ZINC000902451507 980894091 /nfs/dbraw/zinc/89/40/91/980894091.db2.gz DIJVWBROONCDOQ-SFHVURJKSA-N -1 0 317.360 3.665 20 0 DHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)CC(=O)[O-] ZINC001595377001 980910140 /nfs/dbraw/zinc/91/01/40/980910140.db2.gz WJNWZJUOIDEVFE-KXBFYZLASA-N -1 0 317.429 3.501 20 0 DHADRM CC(C)Oc1cc(Cl)ccc1CNCc1cc(C(=O)[O-])co1 ZINC000902505911 980913482 /nfs/dbraw/zinc/91/34/82/980913482.db2.gz KNVQYJHJLHZQGA-UHFFFAOYSA-N -1 0 323.776 3.708 20 0 DHADRM CSc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1C(=O)[O-] ZINC000902570878 980938835 /nfs/dbraw/zinc/93/88/35/980938835.db2.gz WPGKNNJZZQSDTQ-ZETCQYMHSA-N -1 0 306.214 3.712 20 0 DHADRM CC[C@@H]1CC[C@H](C)N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595415784 981030008 /nfs/dbraw/zinc/03/00/08/981030008.db2.gz KJXFSPMIZIHKFT-DTWKUNHWSA-N -1 0 302.296 3.566 20 0 DHADRM CCC1CCC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])CC1 ZINC001595420325 981034623 /nfs/dbraw/zinc/03/46/23/981034623.db2.gz DBWRINKRWIZOFG-ZBUWUSMVSA-N -1 0 311.466 3.845 20 0 DHADRM CCC1CCC(NC(=O)C[C@@H](C)c2ccccc2)(C(=O)[O-])CC1 ZINC001595421051 981040560 /nfs/dbraw/zinc/04/05/60/981040560.db2.gz YOSKOBZAJGUTQI-TZGCNFNXSA-N -1 0 317.429 3.720 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001595435484 981065164 /nfs/dbraw/zinc/06/51/64/981065164.db2.gz KBTDOOMGALGAGA-BMFZPTHFSA-N -1 0 303.402 3.535 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595435688 981065674 /nfs/dbraw/zinc/06/56/74/981065674.db2.gz LTBLENDZCHLCLO-WCBMZHEXSA-N -1 0 313.756 3.942 20 0 DHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595436668 981070200 /nfs/dbraw/zinc/07/02/00/981070200.db2.gz UBEVGYHYNFGODB-DFBGVHRSSA-N -1 0 323.820 3.798 20 0 DHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595436920 981072366 /nfs/dbraw/zinc/07/23/66/981072366.db2.gz YNIUPJFDRDTBMU-DIFFPNOSSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595440819 981077570 /nfs/dbraw/zinc/07/75/70/981077570.db2.gz LKWHXXSWNGNVCJ-GOEBONIOSA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595441076 981078230 /nfs/dbraw/zinc/07/82/30/981078230.db2.gz MYCTWIXJMORSQV-JSGCOSHPSA-N -1 0 319.401 3.573 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NCc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000904004058 981080323 /nfs/dbraw/zinc/08/03/23/981080323.db2.gz MGMMOWUFPHSTCJ-LRDDRELGSA-N -1 0 316.401 3.524 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595441606 981080679 /nfs/dbraw/zinc/08/06/79/981080679.db2.gz SGITWOVXQMMWFD-TZMCWYRMSA-N -1 0 318.417 3.606 20 0 DHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595443951 981084765 /nfs/dbraw/zinc/08/47/65/981084765.db2.gz FYADMTZVJBWECZ-QWRGUYRKSA-N -1 0 310.419 3.845 20 0 DHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595451262 981107303 /nfs/dbraw/zinc/10/73/03/981107303.db2.gz MRXHFHKNPIIUBM-XJKSGUPXSA-N -1 0 318.417 3.746 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000905718142 981121797 /nfs/dbraw/zinc/12/17/97/981121797.db2.gz ILJVFHNPVIUKMR-GFOCRRMGSA-N -1 0 317.429 3.567 20 0 DHADRM CSc1ccc(N[C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1C(=O)[O-] ZINC000905727086 981125499 /nfs/dbraw/zinc/12/54/99/981125499.db2.gz MPYSGHBWWHCZGM-FRRDWIJNSA-N -1 0 321.442 3.724 20 0 DHADRM CCC1CCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])CC1 ZINC001595459018 981134729 /nfs/dbraw/zinc/13/47/29/981134729.db2.gz CWOIKOXXPGKYNX-UHFFFAOYSA-N -1 0 310.419 3.717 20 0 DHADRM CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC001595459940 981141214 /nfs/dbraw/zinc/14/12/14/981141214.db2.gz PEXHZSOEBBTABZ-VHSXEESVSA-N -1 0 310.781 3.691 20 0 DHADRM CC(C)(C)CC(C)(C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000907718064 981210590 /nfs/dbraw/zinc/21/05/90/981210590.db2.gz BOZJCVZGLAVCAR-UHFFFAOYSA-N -1 0 317.429 3.732 20 0 DHADRM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)c2ccccc2O1 ZINC001595489391 981238484 /nfs/dbraw/zinc/23/84/84/981238484.db2.gz UHOBGKIXIWMQKA-OAHLLOKOSA-N -1 0 311.381 3.871 20 0 DHADRM CC(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1F ZINC000656487399 1014720928 /nfs/dbraw/zinc/72/09/28/1014720928.db2.gz SZYSMJARZDDXKL-MRXNPFEDSA-N -1 0 321.392 3.674 20 0 DHADRM CC/C=C(/F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595507946 981294897 /nfs/dbraw/zinc/29/48/97/981294897.db2.gz PPSRAFTYQXPGBO-HVJNQHDOSA-N -1 0 321.392 3.880 20 0 DHADRM Cc1cc2[nH]c(-c3ccc4c(c3)CCCCC4=O)nc(=O)c2s1 ZINC000656491008 1014722749 /nfs/dbraw/zinc/72/27/49/1014722749.db2.gz IWEQXZNVAKAJIN-UHFFFAOYSA-N -1 0 324.405 3.869 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCC=CCCC1)c1cccs1 ZINC000908639352 981331179 /nfs/dbraw/zinc/33/11/79/981331179.db2.gz XEQMZLMPFVNIIT-QWHCGFSZSA-N -1 0 307.415 3.517 20 0 DHADRM CC[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)C1CCC(C)CC1 ZINC000908681696 981338425 /nfs/dbraw/zinc/33/84/25/981338425.db2.gz OHAQCJJVRIEEIB-BCLQGDPASA-N -1 0 309.450 3.552 20 0 DHADRM CCCC(=CC(=O)N1CCc2cc(C(=O)[O-])ccc21)CCC ZINC001595522459 981344935 /nfs/dbraw/zinc/34/49/35/981344935.db2.gz QBSSLHBZWIIRAV-UHFFFAOYSA-N -1 0 301.386 3.801 20 0 DHADRM CCCC(=CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)CCC ZINC001595522461 981345093 /nfs/dbraw/zinc/34/50/93/981345093.db2.gz QLMPQVSGHIEXDJ-UHFFFAOYSA-N -1 0 315.373 3.726 20 0 DHADRM CCC[C@@H](C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595537488 981387492 /nfs/dbraw/zinc/38/74/92/981387492.db2.gz LDYMUGAVPHVGIP-OAHLLOKOSA-N -1 0 312.369 3.611 20 0 DHADRM CCC[C@@H](C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C(C)C ZINC001595537564 981387851 /nfs/dbraw/zinc/38/78/51/981387851.db2.gz MIRCYMWIBGMDHN-SNVBAGLBSA-N -1 0 312.435 3.516 20 0 DHADRM COc1cc(C)ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000048382510 1014730423 /nfs/dbraw/zinc/73/04/23/1014730423.db2.gz FBJGKGSGPRJDRT-UHFFFAOYSA-N -1 0 319.401 3.757 20 0 DHADRM CC(C)c1ccc2occ(C(=O)NC(C)(C)CC(=O)[O-])c2c1 ZINC000909017106 981404005 /nfs/dbraw/zinc/40/40/05/981404005.db2.gz MWOHFCCLOWBRAS-UHFFFAOYSA-N -1 0 303.358 3.539 20 0 DHADRM CCC[C@](C)(CC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595542680 981404221 /nfs/dbraw/zinc/40/42/21/981404221.db2.gz XHXZWEMDTRYAMA-GJYPPUQNSA-N -1 0 317.429 3.530 20 0 DHADRM CCC[C@](C)(CC)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595542637 981404280 /nfs/dbraw/zinc/40/42/80/981404280.db2.gz WVDAHWDVSSBVMX-OALUTQOASA-N -1 0 319.445 3.752 20 0 DHADRM CC(C)(C)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000909072544 981413722 /nfs/dbraw/zinc/41/37/22/981413722.db2.gz WVVRVFXPLAMPEJ-UHFFFAOYSA-N -1 0 317.410 3.925 20 0 DHADRM COCCC[C@@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000909121401 981420942 /nfs/dbraw/zinc/42/09/42/981420942.db2.gz CSOYKEBIQCZCNU-SNVBAGLBSA-N -1 0 321.398 3.601 20 0 DHADRM COCCC(C)(C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000909121894 981421001 /nfs/dbraw/zinc/42/10/01/981421001.db2.gz HEZXQSCJLSCTPT-UHFFFAOYSA-N -1 0 321.398 3.601 20 0 DHADRM CCC[C@](C)(NC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC001595547748 981423114 /nfs/dbraw/zinc/42/31/14/981423114.db2.gz VEOORBQTZOYFTE-IBGZPJMESA-N -1 0 313.397 3.532 20 0 DHADRM CCC[C@](C)(NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001595553410 981429240 /nfs/dbraw/zinc/42/92/40/981429240.db2.gz JKHKIXSECWFFIW-IBGZPJMESA-N -1 0 311.381 3.830 20 0 DHADRM O=C([O-])CCSCc1cccc(NC(=O)C2=CCCCC2)c1 ZINC000909228525 981437770 /nfs/dbraw/zinc/43/77/70/981437770.db2.gz DGMAFKUARQMAFW-UHFFFAOYSA-N -1 0 319.426 3.833 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595567050 981465536 /nfs/dbraw/zinc/46/55/36/981465536.db2.gz VWVKSVXUVKXJRI-YLZCUGDYSA-N -1 0 311.381 3.828 20 0 DHADRM CCC[C@@H](C)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001595570502 981473896 /nfs/dbraw/zinc/47/38/96/981473896.db2.gz DEIBZCSQGLIRHM-SNVBAGLBSA-N -1 0 318.398 3.883 20 0 DHADRM CCC[C@@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595574813 981493172 /nfs/dbraw/zinc/49/31/72/981493172.db2.gz XRTRYMRUBDXCSL-BXKDBHETSA-N -1 0 318.291 3.968 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)c1coc2cc(F)ccc12 ZINC000909466811 981502614 /nfs/dbraw/zinc/50/26/14/981502614.db2.gz LTGFYMZBKXAYID-UHFFFAOYSA-N -1 0 321.348 3.727 20 0 DHADRM Cc1ccccc1[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000909510330 981518400 /nfs/dbraw/zinc/51/84/00/981518400.db2.gz HEASUQXTVWGOOP-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM CCC[C@H](CC)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595585795 981526483 /nfs/dbraw/zinc/52/64/83/981526483.db2.gz DGVFSGMRGBXMMI-FROQITRMSA-N -1 0 306.358 3.525 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1)C(=O)[O-] ZINC000909520817 981527089 /nfs/dbraw/zinc/52/70/89/981527089.db2.gz UCUVPZNIOOVCON-ACJLOTCBSA-N -1 0 301.386 3.635 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595586087 981529331 /nfs/dbraw/zinc/52/93/31/981529331.db2.gz OQYZBOFXIHARIU-DYVFJYSZSA-N -1 0 313.397 3.908 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595586351 981531982 /nfs/dbraw/zinc/53/19/82/981531982.db2.gz XBGWKFFWEREEOA-DYVFJYSZSA-N -1 0 313.397 3.908 20 0 DHADRM CCC[C@@H](CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595586375 981532002 /nfs/dbraw/zinc/53/20/02/981532002.db2.gz XOEZTVUFHGAMMV-SNVBAGLBSA-N -1 0 313.781 3.568 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001595587244 981539932 /nfs/dbraw/zinc/53/99/32/981539932.db2.gz GJPKFKDYQMXXAN-JKSUJKDBSA-N -1 0 309.450 3.839 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595587654 981543548 /nfs/dbraw/zinc/54/35/48/981543548.db2.gz UGBJFZHCWLZVPS-ZDUSSCGKSA-N -1 0 306.406 3.658 20 0 DHADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@H](C)CC(=O)[O-] ZINC001595593798 981559051 /nfs/dbraw/zinc/55/90/51/981559051.db2.gz HATIRWGGHFCSMA-WBVHZDCISA-N -1 0 319.445 3.747 20 0 DHADRM CCC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595600546 981580853 /nfs/dbraw/zinc/58/08/53/981580853.db2.gz LGSLRFIATHPQSV-QGZVFWFLSA-N -1 0 311.381 3.964 20 0 DHADRM CCC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)C1CCCC1 ZINC001595600787 981583486 /nfs/dbraw/zinc/58/34/86/981583486.db2.gz XEEKAHNFACKTNY-INIZCTEOSA-N -1 0 303.402 3.782 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC001594742468 981617128 /nfs/dbraw/zinc/61/71/28/981617128.db2.gz CPDMDPSBZJODEN-PBHICJAKSA-N -1 0 311.381 3.614 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001594742784 981619258 /nfs/dbraw/zinc/61/92/58/981619258.db2.gz IDICILSPZJONAZ-DGCLKSJQSA-N -1 0 323.820 3.545 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC001594743099 981620688 /nfs/dbraw/zinc/62/06/88/981620688.db2.gz KJGLTZWYQACVSO-HZPDHXFCSA-N -1 0 303.402 3.550 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000909806282 981634162 /nfs/dbraw/zinc/63/41/62/981634162.db2.gz NDJCFYRHZUNMNB-GOEBONIOSA-N -1 0 323.392 3.597 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC001594747567 981638888 /nfs/dbraw/zinc/63/88/88/981638888.db2.gz LIAIGJFIQGNVRY-DLBZAZTESA-N -1 0 317.429 3.925 20 0 DHADRM CCCC1(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC001595616499 981644969 /nfs/dbraw/zinc/64/49/69/981644969.db2.gz YMVNYSKDBMKRIT-NSHDSACASA-N -1 0 323.364 3.587 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCC=CCCC2)c1 ZINC000909830526 981648121 /nfs/dbraw/zinc/64/81/21/981648121.db2.gz LJKYEBWPEFRLLW-KBPBESRZSA-N -1 0 301.386 3.950 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909832404 981649674 /nfs/dbraw/zinc/64/96/74/981649674.db2.gz SOGXEYAGGLONAV-ZIAGYGMSSA-N -1 0 311.381 3.925 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909835351 981653908 /nfs/dbraw/zinc/65/39/08/981653908.db2.gz SDUIAKKBZIRVFP-LLVKDONJSA-N -1 0 324.380 3.708 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC001594757894 981682775 /nfs/dbraw/zinc/68/27/75/981682775.db2.gz TXINVEXEWAQSCW-AWEZNQCLSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595620017 981684117 /nfs/dbraw/zinc/68/41/17/981684117.db2.gz UHJCVQJWPDGCPM-NHYWBVRUSA-N -1 0 319.405 3.521 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595620234 981686988 /nfs/dbraw/zinc/68/69/88/981686988.db2.gz ADUPDEACHIJFRJ-ZYHUDNBSSA-N -1 0 322.430 3.553 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595620452 981689360 /nfs/dbraw/zinc/68/93/60/981689360.db2.gz IKDANNPPLDJEGS-CZUORRHYSA-N -1 0 321.392 3.850 20 0 DHADRM CCCC1CCC(N(C)C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001595620587 981690710 /nfs/dbraw/zinc/69/07/10/981690710.db2.gz MIPOHAVLWVOHNW-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM CSc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)ccc1C ZINC000909899761 981698611 /nfs/dbraw/zinc/69/86/11/981698611.db2.gz COIPJLLSSHZTCN-UHFFFAOYSA-N -1 0 319.426 3.691 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C(C)=C\C(C)(C)C)c1ccccc1 ZINC001594763998 981704117 /nfs/dbraw/zinc/70/41/17/981704117.db2.gz HTSJXGXRXAVKKT-LLNWESEBSA-N -1 0 303.402 3.875 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001595622161 981707114 /nfs/dbraw/zinc/70/71/14/981707114.db2.gz RSBQQPKPCNCLQI-OAGGEKHMSA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001595622199 981707167 /nfs/dbraw/zinc/70/71/67/981707167.db2.gz SBEFQCRQAAVKIJ-STQMWFEESA-N -1 0 307.390 3.623 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001595622196 981707262 /nfs/dbraw/zinc/70/72/62/981707262.db2.gz SBEFQCRQAAVKIJ-CHWSQXEVSA-N -1 0 307.390 3.623 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595622497 981711047 /nfs/dbraw/zinc/71/10/47/981711047.db2.gz ULPOJGKUHIVFDL-MWLCHTKSSA-N -1 0 322.430 3.874 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595623005 981716545 /nfs/dbraw/zinc/71/65/45/981716545.db2.gz ZTGZIBSPLYQBDX-CABCVRRESA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@H]1CCc2ccccc2N1Cc1nc(C(=O)[O-])cs1 ZINC001595623525 981722036 /nfs/dbraw/zinc/72/20/36/981722036.db2.gz RNILXOHGVDYSCG-ZDUSSCGKSA-N -1 0 316.426 3.963 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccc1 ZINC001594767212 981724968 /nfs/dbraw/zinc/72/49/68/981724968.db2.gz FANUHGUQTWFCNV-YESZJQIVSA-N -1 0 315.413 3.709 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 ZINC001594768159 981727872 /nfs/dbraw/zinc/72/78/72/981727872.db2.gz PFYXHMMDFQBYBO-FVQBIDKESA-N -1 0 303.402 3.565 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001594768183 981727965 /nfs/dbraw/zinc/72/79/65/981727965.db2.gz PSMKFVBBTRGQBN-GOEBONIOSA-N -1 0 301.386 3.629 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)CC(C1CC1)C1CC1)c1ccccc1 ZINC001594768267 981729466 /nfs/dbraw/zinc/72/94/66/981729466.db2.gz SWIULLMXILEUGC-KRWDZBQOSA-N -1 0 315.413 3.709 20 0 DHADRM CCC/C=C/C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595624314 981731188 /nfs/dbraw/zinc/73/11/88/981731188.db2.gz SDYXTKFEGDRYEB-VMPITWQZSA-N -1 0 316.401 3.670 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1csc(Cl)c1)c1ccccc1 ZINC001594769802 981733289 /nfs/dbraw/zinc/73/32/89/981733289.db2.gz BCZSEJBONHYPCE-GFCCVEGCSA-N -1 0 323.801 3.912 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cscc1C)c1ccccc1 ZINC001594769795 981733399 /nfs/dbraw/zinc/73/33/99/981733399.db2.gz ATDGKNMAGAPJPW-CQSZACIVSA-N -1 0 303.383 3.567 20 0 DHADRM CC[C@H](C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001594773916 981749658 /nfs/dbraw/zinc/74/96/58/981749658.db2.gz DCTKIDJHQCTJIR-SNPRPXQTSA-N -1 0 308.349 3.506 20 0 DHADRM CC[C@H](C(=O)OCc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC001594774465 981752103 /nfs/dbraw/zinc/75/21/03/981752103.db2.gz FZHCAWODDVCODI-AWEZNQCLSA-N -1 0 320.316 3.662 20 0 DHADRM C[C@@H](NC(=O)C(C)(C)C1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000910151986 981766752 /nfs/dbraw/zinc/76/67/52/981766752.db2.gz IEWCIDNFHXLCJS-SNVBAGLBSA-N -1 0 324.446 3.625 20 0 DHADRM CCCC[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C(C)C ZINC001595627641 981775119 /nfs/dbraw/zinc/77/51/19/981775119.db2.gz NVEVIOAYKBCZSV-CVEARBPZSA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001594780874 981785638 /nfs/dbraw/zinc/78/56/38/981785638.db2.gz ILKYAEKZLNUOJS-HOPMXRPOSA-N -1 0 309.450 3.551 20 0 DHADRM CCCC[C@](C)(F)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595630416 981819124 /nfs/dbraw/zinc/81/91/24/981819124.db2.gz FJGBAMDJWCGHFW-PBHICJAKSA-N -1 0 315.429 3.692 20 0 DHADRM CCCC[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595630400 981819373 /nfs/dbraw/zinc/81/93/73/981819373.db2.gz DXSFAVMTVDLDQZ-GFCCVEGCSA-N -1 0 311.809 3.580 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000910255015 981831139 /nfs/dbraw/zinc/83/11/39/981831139.db2.gz WGGJJQOHJQRIIB-CJNGLKHVSA-N -1 0 303.402 3.584 20 0 DHADRM CCCC[C@H](C)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595631357 981837504 /nfs/dbraw/zinc/83/75/04/981837504.db2.gz MQHXRPYIZWLPDM-BIENJYKASA-N -1 0 317.429 3.806 20 0 DHADRM Cc1nc(NCc2ccccc2COC(C)C)ccc1C(=O)[O-] ZINC000910288421 981844071 /nfs/dbraw/zinc/84/40/71/981844071.db2.gz TZSKKQZSRQSGRO-UHFFFAOYSA-N -1 0 314.385 3.625 20 0 DHADRM CCCC[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595632231 981852016 /nfs/dbraw/zinc/85/20/16/981852016.db2.gz UCOIEESFRZPFLI-XJKSGUPXSA-N -1 0 323.408 3.717 20 0 DHADRM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595632390 981854617 /nfs/dbraw/zinc/85/46/17/981854617.db2.gz GGJYLDOAZOWVNJ-CYBMUJFWSA-N -1 0 308.422 3.782 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)c1ccsc1CC(=O)[O-] ZINC001595632757 981859878 /nfs/dbraw/zinc/85/98/78/981859878.db2.gz PYVZUHGADHVOIZ-GFCCVEGCSA-N -1 0 311.447 3.712 20 0 DHADRM CCC(C)(C)C1CCC(Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001594796737 981880929 /nfs/dbraw/zinc/88/09/29/981880929.db2.gz JSXSIEIKVAXYFS-UHFFFAOYSA-N -1 0 307.438 3.683 20 0 DHADRM CCCC[C@@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634932 981895845 /nfs/dbraw/zinc/89/58/45/981895845.db2.gz QNISYWGHTQFTRQ-IVOILVROSA-N -1 0 317.429 3.757 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC000910387687 981910057 /nfs/dbraw/zinc/91/00/57/981910057.db2.gz FZMJANHNPJZNIY-RISCZKNCSA-N -1 0 323.820 3.545 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CCC1 ZINC001595635978 981911237 /nfs/dbraw/zinc/91/12/37/981911237.db2.gz SSMZEUBYSOPMCG-OAHLLOKOSA-N -1 0 304.390 3.865 20 0 DHADRM CCC(C)(C)CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594808289 981915871 /nfs/dbraw/zinc/91/58/71/981915871.db2.gz MFKMMIXHKIUHOA-UHFFFAOYSA-N -1 0 305.418 3.705 20 0 DHADRM CCCC[C@H](NC(=O)c1ccccc1CC(C)(C)C)C(=O)[O-] ZINC001595636917 981923843 /nfs/dbraw/zinc/92/38/43/981923843.db2.gz ARMFRIOTHAQIMJ-HNNXBMFYSA-N -1 0 305.418 3.648 20 0 DHADRM CCC(C)(C)NC(=S)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001594809829 981931681 /nfs/dbraw/zinc/93/16/81/981931681.db2.gz PQZVTLZCFWXZMQ-UHFFFAOYSA-N -1 0 300.449 3.538 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001594814665 981940302 /nfs/dbraw/zinc/94/03/02/981940302.db2.gz VETPECRCKFOXHC-LJQANCHMSA-N -1 0 317.429 3.747 20 0 DHADRM CCCC[C@H](Nc1cc(C)n(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001595642366 981972474 /nfs/dbraw/zinc/97/24/74/981972474.db2.gz OSSVBYDARLZRHV-ZDUSSCGKSA-N -1 0 323.343 3.514 20 0 DHADRM CCCC[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001595644549 981979633 /nfs/dbraw/zinc/97/96/33/981979633.db2.gz CDFXIYUEOZUIRO-QGZVFWFLSA-N -1 0 314.385 3.716 20 0 DHADRM CCCOc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1C(C)C ZINC000910521886 981983217 /nfs/dbraw/zinc/98/32/17/981983217.db2.gz ITZQACCSCDKXCV-LBPRGKRZSA-N -1 0 307.390 3.648 20 0 DHADRM Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910543829 981988640 /nfs/dbraw/zinc/98/86/40/981988640.db2.gz DPTYJEDWMVZAFJ-XHDPSFHLSA-N -1 0 313.353 3.510 20 0 DHADRM CCCC[C@H](OC(=O)C1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC001595646029 981995011 /nfs/dbraw/zinc/99/50/11/981995011.db2.gz MPZDSZHEGGZUIJ-ILDUYXDCSA-N -1 0 310.312 3.542 20 0 DHADRM CCCC[C@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001595646424 981998971 /nfs/dbraw/zinc/99/89/71/981998971.db2.gz PVELFBWEAYBGIM-LBPRGKRZSA-N -1 0 305.296 3.683 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC001595650941 982014848 /nfs/dbraw/zinc/01/48/48/982014848.db2.gz AAFVTRCCRXZCKZ-GXFFZTMASA-N -1 0 313.394 3.529 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC001595650943 982014858 /nfs/dbraw/zinc/01/48/58/982014858.db2.gz AAFVTRCCRXZCKZ-ZWNOBZJWSA-N -1 0 313.394 3.529 20 0 DHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595651489 982022007 /nfs/dbraw/zinc/02/20/07/982022007.db2.gz GYKOONFEAOBJOA-OCCSQVGLSA-N -1 0 309.431 3.699 20 0 DHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(F)c2[O-])cc1 ZINC000933252210 1014791597 /nfs/dbraw/zinc/79/15/97/1014791597.db2.gz SUMFRUIKDVTIDM-CYBMUJFWSA-N -1 0 301.361 3.543 20 0 DHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1CC)C(=O)[O-] ZINC001595652501 982034154 /nfs/dbraw/zinc/03/41/54/982034154.db2.gz UIWVEBNHKLWRCM-SWLSCSKDSA-N -1 0 323.458 3.953 20 0 DHADRM CC[C@](C)(NC(=O)c1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC001594846570 982068568 /nfs/dbraw/zinc/06/85/68/982068568.db2.gz GDJQDBSBDRKHJA-INIZCTEOSA-N -1 0 321.373 3.537 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595660919 982074083 /nfs/dbraw/zinc/07/40/83/982074083.db2.gz OSZWMNVRVFLOPU-BBRMVZONSA-N -1 0 303.402 3.782 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595661455 982076021 /nfs/dbraw/zinc/07/60/21/982076021.db2.gz UIFPPUWPKKIHPJ-WFASDCNBSA-N -1 0 304.390 3.865 20 0 DHADRM CCCCC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1N)C(C)C ZINC001595663322 982083161 /nfs/dbraw/zinc/08/31/61/982083161.db2.gz UNTQCULREAUHPU-LBPRGKRZSA-N -1 0 306.406 3.758 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595666326 982100025 /nfs/dbraw/zinc/10/00/25/982100025.db2.gz IKPDZLNEZZLPDC-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM O=C([O-])c1nc(NC(=O)C2=CCCCCC2)sc1C1CC1 ZINC000910739605 982100101 /nfs/dbraw/zinc/10/01/01/982100101.db2.gz CKYYWMGUFNGJAS-UHFFFAOYSA-N -1 0 306.387 3.548 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595666584 982102575 /nfs/dbraw/zinc/10/25/75/982102575.db2.gz NZWPBYOAQOWIML-CYBMUJFWSA-N -1 0 320.433 3.996 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910742375 982103729 /nfs/dbraw/zinc/10/37/29/982103729.db2.gz HWAAHRRTBQORQQ-MRVPVSSYSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1 ZINC000910741786 982103901 /nfs/dbraw/zinc/10/39/01/982103901.db2.gz XTHCFHCSBNJVBI-UHFFFAOYSA-N -1 0 322.430 3.730 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595667060 982109162 /nfs/dbraw/zinc/10/91/62/982109162.db2.gz YTLGSFHGVGEYLZ-GOEBONIOSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCC[C@H](CC)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595668945 982112327 /nfs/dbraw/zinc/11/23/27/982112327.db2.gz FACPYYMDIUGFCI-LBPRGKRZSA-N -1 0 307.390 3.938 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001595681334 982161266 /nfs/dbraw/zinc/16/12/66/982161266.db2.gz ONDLMIGSIGFRHY-INIZCTEOSA-N -1 0 305.418 3.648 20 0 DHADRM CCCc1occc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910945493 982170745 /nfs/dbraw/zinc/17/07/45/982170745.db2.gz AWXBSVUXQPLJDJ-UHFFFAOYSA-N -1 0 319.382 3.905 20 0 DHADRM CCCCC[C@@H](Nc1nc(-c2cccc(C)c2)ns1)C(=O)[O-] ZINC001595686867 982177075 /nfs/dbraw/zinc/17/70/75/982177075.db2.gz IPJSRAZJDHDAQM-CYBMUJFWSA-N -1 0 319.430 3.959 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccsc1 ZINC000910959162 982177787 /nfs/dbraw/zinc/17/77/87/982177787.db2.gz BJWBYRUBMDTNGC-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM CCCCC[C@@H](Nc1cc(Cl)nc(C2CCC2)n1)C(=O)[O-] ZINC001595687258 982178495 /nfs/dbraw/zinc/17/84/95/982178495.db2.gz OHWBKPQARDIVCZ-LLVKDONJSA-N -1 0 311.813 3.843 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595694680 982213077 /nfs/dbraw/zinc/21/30/77/982213077.db2.gz GSZCBUKTJLPPPG-WDEREUQCSA-N -1 0 312.435 3.625 20 0 DHADRM CCCCCC[C@](C)(CCC)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001595694919 982215088 /nfs/dbraw/zinc/21/50/88/982215088.db2.gz KYRLHMABJZQTCN-IRXDYDNUSA-N -1 0 315.429 3.788 20 0 DHADRM O=C(CCC1CCCCC1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521835933 1014818202 /nfs/dbraw/zinc/81/82/02/1014818202.db2.gz ZYSJTYPJCWDETI-UHFFFAOYSA-N -1 0 321.471 3.988 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC000911060944 982219664 /nfs/dbraw/zinc/21/96/64/982219664.db2.gz GXEFKFNQUOKRDQ-QGZVFWFLSA-N -1 0 323.458 3.563 20 0 DHADRM CCCCCCC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595695569 982219788 /nfs/dbraw/zinc/21/97/88/982219788.db2.gz XWOIDYSXVNQTEZ-UHFFFAOYSA-N -1 0 318.295 3.708 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(C(F)F)cc3)(CC1)C2 ZINC000911083296 982230450 /nfs/dbraw/zinc/23/04/50/982230450.db2.gz SCJFDEYAGNLKNB-UHFFFAOYSA-N -1 0 309.312 3.598 20 0 DHADRM CCCCCC[C@@H](C)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595698349 982250518 /nfs/dbraw/zinc/25/05/18/982250518.db2.gz RJMUBYGDRUOPSE-LLVKDONJSA-N -1 0 307.394 3.569 20 0 DHADRM CN(C(=O)c1ccoc1CC(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000911195275 982277725 /nfs/dbraw/zinc/27/77/25/982277725.db2.gz CEQBSCFBPLQYHK-UHFFFAOYSA-N -1 0 321.417 3.584 20 0 DHADRM CCCCCOc1ccc(Oc2cc(C(=O)[O-])ncn2)cc1 ZINC001595721655 982337390 /nfs/dbraw/zinc/33/73/90/982337390.db2.gz QPRDPMBTZCOFOJ-UHFFFAOYSA-N -1 0 302.330 3.536 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001595731796 982364983 /nfs/dbraw/zinc/36/49/83/982364983.db2.gz IBYLVGZMIQCTPQ-UHFFFAOYSA-N -1 0 303.402 3.960 20 0 DHADRM CC(C)C[C@@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000911458386 982440930 /nfs/dbraw/zinc/44/09/30/982440930.db2.gz CQXJBGKGOJNCBT-MNNVXMFVSA-N -1 0 321.461 3.696 20 0 DHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001594928701 982540568 /nfs/dbraw/zinc/54/05/68/982540568.db2.gz LYVDUXHUJYWNEI-ZBEGNZNMSA-N -1 0 315.369 3.538 20 0 DHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001594930783 982557210 /nfs/dbraw/zinc/55/72/10/982557210.db2.gz BHLKPOQSCOMOPO-LRDDRELGSA-N -1 0 303.402 3.734 20 0 DHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595788843 982585650 /nfs/dbraw/zinc/58/56/50/982585650.db2.gz CONAEJXYJYSXKU-LBPRGKRZSA-N -1 0 309.431 3.862 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595788853 982586141 /nfs/dbraw/zinc/58/61/41/982586141.db2.gz DPONGKOYPXZOQF-SECBINFHSA-N -1 0 315.822 3.899 20 0 DHADRM CCCCSCCC(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001595792628 982594358 /nfs/dbraw/zinc/59/43/58/982594358.db2.gz XQSVPUCUFZILGN-UHFFFAOYSA-N -1 0 309.431 3.809 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC001594937336 982599237 /nfs/dbraw/zinc/59/92/37/982599237.db2.gz STAONUAUMOMFNK-GCSSGZNBSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-] ZINC001594937626 982601536 /nfs/dbraw/zinc/60/15/36/982601536.db2.gz XGBQFEMJCFEJGH-NWANDNLSSA-N -1 0 323.458 3.563 20 0 DHADRM CCCCc1nc(-c2ccc(OCCCCC(=O)[O-])cc2)no1 ZINC001595797908 982608878 /nfs/dbraw/zinc/60/88/78/982608878.db2.gz WZXKWEYWUAKQHF-UHFFFAOYSA-N -1 0 318.373 3.713 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000911717897 982611464 /nfs/dbraw/zinc/61/14/64/982611464.db2.gz LUFMCYZGZBDEOJ-MQMHXKEQSA-N -1 0 323.820 3.593 20 0 DHADRM CC(C)N(C)c1ccccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000911719824 982612014 /nfs/dbraw/zinc/61/20/14/982612014.db2.gz IBONNODBHFKGNH-UHFFFAOYSA-N -1 0 318.398 3.543 20 0 DHADRM CCCCc1nc(CNc2ccc(C(=O)[O-])c(OC)c2)cs1 ZINC001595799142 982612104 /nfs/dbraw/zinc/61/21/04/982612104.db2.gz MPWPXFDNDHATHY-UHFFFAOYSA-N -1 0 320.414 3.805 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cccc1C(=O)[O-] ZINC000911733617 982618517 /nfs/dbraw/zinc/61/85/17/982618517.db2.gz GCMQBYWGRXYSLR-BZPMIXESSA-N -1 0 317.385 3.547 20 0 DHADRM CCCCc1noc(CSCc2ccc(C(=O)[O-])cc2F)n1 ZINC001595802656 982620948 /nfs/dbraw/zinc/62/09/48/982620948.db2.gz ODJABYLCJZPPEJ-UHFFFAOYSA-N -1 0 324.377 3.683 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC001594945303 982632004 /nfs/dbraw/zinc/63/20/04/982632004.db2.gz BAMVKXHWWXTEQW-CXAGYDPISA-N -1 0 317.429 3.963 20 0 DHADRM CCCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595816074 982670101 /nfs/dbraw/zinc/67/01/01/982670101.db2.gz GFLDAWOMRLROSM-STQMWFEESA-N -1 0 323.820 3.974 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1 ZINC000923054127 982699721 /nfs/dbraw/zinc/69/97/21/982699721.db2.gz JARAUCGNNPDBKL-YVSFHVDLSA-N -1 0 315.413 3.535 20 0 DHADRM CC[C@H](C)CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594959115 982703509 /nfs/dbraw/zinc/70/35/09/982703509.db2.gz LPNBIGAEOVUUMX-DZGCQCFKSA-N -1 0 320.433 3.574 20 0 DHADRM CC[C@@H](C)CCCCC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001594959205 982704563 /nfs/dbraw/zinc/70/45/63/982704563.db2.gz OCMSWYPYKRCJBT-LLVKDONJSA-N -1 0 307.390 3.944 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001594959409 982706604 /nfs/dbraw/zinc/70/66/04/982706604.db2.gz SZNBAFCMWHBEMR-WBMJQRKESA-N -1 0 309.381 3.674 20 0 DHADRM CCCN(C(=O)c1cc2ccc(C(C)C)cc2[nH]1)[C@H](C)C(=O)[O-] ZINC001595826928 982711001 /nfs/dbraw/zinc/71/10/01/982711001.db2.gz JEGAECIBGFHGPC-GFCCVEGCSA-N -1 0 316.401 3.617 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000923090238 982716732 /nfs/dbraw/zinc/71/67/32/982716732.db2.gz FSSKEWXNLSRLIH-SECBINFHSA-N -1 0 321.373 3.711 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1C ZINC000923091577 982717384 /nfs/dbraw/zinc/71/73/84/982717384.db2.gz DMPFOTXXDRBAHX-JTQLQIEISA-N -1 0 303.383 3.805 20 0 DHADRM CCCN(C(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595831335 982721766 /nfs/dbraw/zinc/72/17/66/982721766.db2.gz ZGYJDQBMSGVAEF-UHFFFAOYSA-N -1 0 321.760 3.617 20 0 DHADRM CCCN(C)c1ccccc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001595839570 982754154 /nfs/dbraw/zinc/75/41/54/982754154.db2.gz JYFYXMQYPFGLPM-QLFBSQMISA-N -1 0 304.434 3.834 20 0 DHADRM CCCN(C)c1ccccc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001595839572 982754280 /nfs/dbraw/zinc/75/42/80/982754280.db2.gz JYFYXMQYPFGLPM-RBSFLKMASA-N -1 0 304.434 3.834 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cc(C)ccc2C)C(C(=O)[O-])=C1C ZINC001594985382 982799888 /nfs/dbraw/zinc/79/98/88/982799888.db2.gz OLQNRCPZRDOYEE-MLGOLLRUSA-N -1 0 316.401 3.527 20 0 DHADRM CCCN(CC(C)C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595862839 982800357 /nfs/dbraw/zinc/80/03/57/982800357.db2.gz NBUHAFSNRAQCQJ-UHFFFAOYSA-N -1 0 306.406 3.902 20 0 DHADRM CCCN(CCC)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595872766 982859849 /nfs/dbraw/zinc/85/98/49/982859849.db2.gz HWYRETGHGGPBJY-UHFFFAOYSA-N -1 0 303.362 3.520 20 0 DHADRM CC[C@H](C)Oc1cccc(NCc2ccsc2C(=O)[O-])n1 ZINC001595007441 982924603 /nfs/dbraw/zinc/92/46/03/982924603.db2.gz BUYJFMOLNXIWAK-JTQLQIEISA-N -1 0 306.387 3.631 20 0 DHADRM CC[C@H](C)Oc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001595008003 982927077 /nfs/dbraw/zinc/92/70/77/982927077.db2.gz KBEBIGGRHPZSFI-LBPRGKRZSA-N -1 0 302.374 3.513 20 0 DHADRM CC[C@H](C)Oc1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c1 ZINC001595009298 982933760 /nfs/dbraw/zinc/93/37/60/982933760.db2.gz VMMHPDNQWAISKN-IPJLKBMESA-N -1 0 303.402 3.775 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009961 982937881 /nfs/dbraw/zinc/93/78/81/982937881.db2.gz MJIYBLYDNDLFFF-CYBMUJFWSA-N -1 0 311.381 3.828 20 0 DHADRM CC[C@H](C)c1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001595010858 982944267 /nfs/dbraw/zinc/94/42/67/982944267.db2.gz ZLQNTMVEHQNBIP-SCLBCKFNSA-N -1 0 303.402 3.527 20 0 DHADRM CC[C@H](C)c1ccccc1OC(=O)c1ccoc1CC(=O)[O-] ZINC001595013381 982946730 /nfs/dbraw/zinc/94/67/30/982946730.db2.gz HSQOMJJTTGCAMI-NSHDSACASA-N -1 0 302.326 3.639 20 0 DHADRM CC[C@H](C)c1cccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001595013430 982947778 /nfs/dbraw/zinc/94/77/78/982947778.db2.gz IWAMVTOCUZLJSC-GZBFAFLISA-N -1 0 318.417 3.775 20 0 DHADRM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001118972943 982971358 /nfs/dbraw/zinc/97/13/58/982971358.db2.gz NOCSAOMFKHPNNT-AWEZNQCLSA-N -1 0 317.410 3.619 20 0 DHADRM Cc1oc(CN(C)Cc2cc(C(F)(F)F)co2)cc1C(=O)[O-] ZINC001119066875 982975193 /nfs/dbraw/zinc/97/51/93/982975193.db2.gz UTTKUHWCZDGVMC-UHFFFAOYSA-N -1 0 317.263 3.530 20 0 DHADRM CCCC[C@H](CC)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689399 1014903465 /nfs/dbraw/zinc/90/34/65/1014903465.db2.gz SCKAOPWSSUXYPJ-LBPRGKRZSA-N -1 0 303.431 3.782 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)c1 ZINC000443421738 1014909274 /nfs/dbraw/zinc/90/92/74/1014909274.db2.gz DKNJESWYSAJWPA-UHFFFAOYSA-N -1 0 304.415 3.623 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909502839 1014912728 /nfs/dbraw/zinc/91/27/28/1014912728.db2.gz GJVPDHSSWOSCJK-LYOVBCGYSA-N -1 0 324.446 3.543 20 0 DHADRM CCCOc1ccc(-c2nc(C3(C(=O)[O-])CC3)cs2)cc1 ZINC001595951934 983124708 /nfs/dbraw/zinc/12/47/08/983124708.db2.gz HNSVRGGYSVYOJG-UHFFFAOYSA-N -1 0 303.383 3.715 20 0 DHADRM CCCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001595960467 983152472 /nfs/dbraw/zinc/15/24/72/983152472.db2.gz JLILRABZZYHPFX-UHFFFAOYSA-N -1 0 320.370 3.879 20 0 DHADRM CCCOc1ccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1F ZINC001595966292 983171354 /nfs/dbraw/zinc/17/13/54/983171354.db2.gz GIUUWAOBZSTVKG-NSHDSACASA-N -1 0 318.348 3.881 20 0 DHADRM CCCSc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001595987322 983237570 /nfs/dbraw/zinc/23/75/70/983237570.db2.gz CFSPAMSEBVTBIS-VIFPVBQESA-N -1 0 323.443 3.912 20 0 DHADRM CCC[C@@H](NC(=O)C1(Cc2cccs2)CCCCC1)C(=O)[O-] ZINC001595993159 983248514 /nfs/dbraw/zinc/24/85/14/983248514.db2.gz RKMRVPLLXZILMS-CQSZACIVSA-N -1 0 323.458 3.611 20 0 DHADRM CCc1csc(N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)n1 ZINC000581492032 1014933412 /nfs/dbraw/zinc/93/34/12/1014933412.db2.gz RGROHSMNQFYOIT-SNVBAGLBSA-N -1 0 323.443 3.510 20 0 DHADRM CCCc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596036065 983311781 /nfs/dbraw/zinc/31/17/81/983311781.db2.gz DBKFVSYEMGJBOT-UHIISALHSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596036064 983312148 /nfs/dbraw/zinc/31/21/48/983312148.db2.gz DBKFVSYEMGJBOT-MISXGVKJSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)NC2C[C@H](C)C[C@@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596036486 983314067 /nfs/dbraw/zinc/31/40/67/983314067.db2.gz KYPHODSXKYVZLC-GHMZBOCLSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)N[C@H](C)c2cccs2)[nH]c(C)c1C(=O)[O-] ZINC001596045844 983336646 /nfs/dbraw/zinc/33/66/46/983336646.db2.gz SDKFJJIQXFRQCT-SECBINFHSA-N -1 0 320.414 3.526 20 0 DHADRM CCCc1cc(C(=O)NC(CC)(CC)C(=O)[O-])ccc1Cl ZINC001596055823 983359513 /nfs/dbraw/zinc/35/95/13/983359513.db2.gz ZIZXWAJBCUXXAN-UHFFFAOYSA-N -1 0 311.809 3.666 20 0 DHADRM CCCc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])ccc1Cl ZINC001596055722 983359603 /nfs/dbraw/zinc/35/96/03/983359603.db2.gz XZRYAUYTCOYQBS-CQSZACIVSA-N -1 0 323.820 3.523 20 0 DHADRM CC(C)OCc1cccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000581499857 1014939514 /nfs/dbraw/zinc/93/95/14/1014939514.db2.gz UXOBXVXGUAMWRZ-UHFFFAOYSA-N -1 0 316.401 3.928 20 0 DHADRM CCCc1ccc([C@H](NC(=O)[C@@H](CC)C(=O)[O-])C(C)C)cc1 ZINC001596062185 983370774 /nfs/dbraw/zinc/37/07/74/983370774.db2.gz ATFBKHVHKKPMSE-HZPDHXFCSA-N -1 0 305.418 3.563 20 0 DHADRM Cn1ncc(C2CCC2)c1/C=C\c1nc2c(cccc2C(=O)[O-])o1 ZINC000656613344 1014942931 /nfs/dbraw/zinc/94/29/31/1014942931.db2.gz JCYMJOWYFLAGBS-HJWRWDBZSA-N -1 0 323.352 3.697 20 0 DHADRM CCCc1ncc(C(=O)Nc2c(CC)cccc2C(=O)[O-])s1 ZINC001596100977 983424296 /nfs/dbraw/zinc/42/42/96/983424296.db2.gz ZWHNYXFGSNNGDA-UHFFFAOYSA-N -1 0 318.398 3.609 20 0 DHADRM Cn1ncc(C2CCC2)c1/C=C\c1nc2cc(C(=O)[O-])ccc2o1 ZINC000656614180 1014945269 /nfs/dbraw/zinc/94/52/69/1014945269.db2.gz WOHXGBHRMPVZCK-VURMDHGXSA-N -1 0 323.352 3.697 20 0 DHADRM CCN(C(=O)C1CCCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001596137731 983487547 /nfs/dbraw/zinc/48/75/47/983487547.db2.gz OFYTUNSBYFNIOT-UHFFFAOYSA-N -1 0 310.419 3.555 20 0 DHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc(C)cc(C)c1 ZINC001596137981 983488231 /nfs/dbraw/zinc/48/82/31/983488231.db2.gz QDGQSOHGZRPKIY-WAYWQWQTSA-N -1 0 313.353 3.661 20 0 DHADRM CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccc1C(=O)[O-] ZINC001596138667 983489446 /nfs/dbraw/zinc/48/94/46/983489446.db2.gz VVXNHUVIULIVSS-MELADBBJSA-N -1 0 303.402 3.810 20 0 DHADRM CCN(C(=O)/C=C(/C)c1cccs1)c1ccccc1C(=O)[O-] ZINC001596138646 983489586 /nfs/dbraw/zinc/48/95/86/983489586.db2.gz VLSWNHDBBFQVHU-QXMHVHEDSA-N -1 0 315.394 3.903 20 0 DHADRM CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cc(C)cc(C)c1 ZINC001596157065 983517780 /nfs/dbraw/zinc/51/77/80/983517780.db2.gz VKIMNHWGGDIVKW-UHFFFAOYSA-N -1 0 314.385 3.613 20 0 DHADRM CCN(C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(C)C ZINC001596158519 983521462 /nfs/dbraw/zinc/52/14/62/983521462.db2.gz PSQHTMAECNPOGS-UHFFFAOYSA-N -1 0 324.446 3.977 20 0 DHADRM CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@H](C)C(C)C ZINC001596158971 983522632 /nfs/dbraw/zinc/52/26/32/983522632.db2.gz WNRYKERDPOTURP-LLVKDONJSA-N -1 0 317.389 3.764 20 0 DHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1cc(C)ccc1C ZINC001596174659 983541158 /nfs/dbraw/zinc/54/11/58/983541158.db2.gz HKWWDZYSMSTLIZ-UHFFFAOYSA-N -1 0 301.342 3.570 20 0 DHADRM CCN(C)c1ccccc1CNc1ncc(C(=O)[O-])cc1Cl ZINC001596197584 983582316 /nfs/dbraw/zinc/58/23/16/983582316.db2.gz LQBCJNBNNWTBJQ-UHFFFAOYSA-N -1 0 319.792 3.501 20 0 DHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000656624940 1014967409 /nfs/dbraw/zinc/96/74/09/1014967409.db2.gz SIPDDQYZHCNCHN-NSHDSACASA-N -1 0 311.428 3.726 20 0 DHADRM CCN(CC)c1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)cn1 ZINC001596287992 983707392 /nfs/dbraw/zinc/70/73/92/983707392.db2.gz CYIGVPVHXQSOLW-LLVKDONJSA-N -1 0 319.430 3.861 20 0 DHADRM CCN(Cc1c2ccccc2[nH]c1C(=O)[O-])c1cccc(O)c1 ZINC001596350900 983805670 /nfs/dbraw/zinc/80/56/70/983805670.db2.gz SYSYEAYMZIMQHG-UHFFFAOYSA-N -1 0 310.353 3.598 20 0 DHADRM CCN(Cc1c(F)cccc1F)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596354146 983814135 /nfs/dbraw/zinc/81/41/35/983814135.db2.gz ALHSAUFVABQMPW-INIZCTEOSA-N -1 0 323.314 3.752 20 0 DHADRM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@H](C)C(F)(F)F ZINC001596358017 983832248 /nfs/dbraw/zinc/83/22/48/983832248.db2.gz YSEHKHGBCBHXQU-MRVPVSSYSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001596364620 983850210 /nfs/dbraw/zinc/85/02/10/983850210.db2.gz RKEOZDGBTSCHSB-UHFFFAOYSA-N -1 0 308.740 3.599 20 0 DHADRM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H](C)C(F)(F)F ZINC001596364605 983850627 /nfs/dbraw/zinc/85/06/27/983850627.db2.gz PWLNHGOWAKZESV-QMMMGPOBSA-N -1 0 309.715 3.811 20 0 DHADRM CCN(Cc1ccccc1C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596371849 983874199 /nfs/dbraw/zinc/87/41/99/983874199.db2.gz PESYGWIPOFWXHU-GFCCVEGCSA-N -1 0 304.415 3.733 20 0 DHADRM CCN(Cc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001596378528 983896527 /nfs/dbraw/zinc/89/65/27/983896527.db2.gz QCQGTRCETOACMY-UHFFFAOYSA-N -1 0 306.365 3.960 20 0 DHADRM CSc1cc(F)cc(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001215907188 1015010131 /nfs/dbraw/zinc/01/01/31/1015010131.db2.gz WSHPLMZORDUOSI-UHFFFAOYSA-N -1 0 313.375 3.538 20 0 DHADRM CCCCCN(CCCCC)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006042228 1015016399 /nfs/dbraw/zinc/01/63/99/1015016399.db2.gz DUFLXLXOAJHVID-HOTGVXAUSA-N -1 0 309.450 3.862 20 0 DHADRM CCCN(CC1CCCCC1)C(=O)c1s[n-]c(=O)c1Cl ZINC000581609717 1015048703 /nfs/dbraw/zinc/04/87/03/1015048703.db2.gz MTFUAJVHLICYOW-UHFFFAOYSA-N -1 0 316.854 3.935 20 0 DHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC001588938287 984620859 /nfs/dbraw/zinc/62/08/59/984620859.db2.gz ACDSWBLYYDLAOX-RJCSOLBVSA-N -1 0 321.423 3.545 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1C ZINC001588943752 984641276 /nfs/dbraw/zinc/64/12/76/984641276.db2.gz BSBCMXJJPUNHKJ-XFXZXTDPSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C\C(C)(C)C)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001588953168 984692918 /nfs/dbraw/zinc/69/29/18/984692918.db2.gz JSHLQWDLTYPXJQ-ACCUITESSA-N -1 0 315.413 3.965 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001588956222 984702657 /nfs/dbraw/zinc/70/26/57/984702657.db2.gz JNBIIJZEAWVIAV-NTMALXAHSA-N -1 0 322.430 3.861 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599892024 984706392 /nfs/dbraw/zinc/70/63/92/984706392.db2.gz XYNZQIJOPXFIAS-CZUORRHYSA-N -1 0 309.450 3.743 20 0 DHADRM C/C(=C\CN1CC(C)(C)c2ccc(Br)cc21)C(=O)[O-] ZINC001588958320 984711279 /nfs/dbraw/zinc/71/12/79/984711279.db2.gz FDASLIAICYLEOC-UXBLZVDNSA-N -1 0 324.218 3.578 20 0 DHADRM C/C(=C/CN(Cc1ccc(C)o1)c1ccc(F)cc1)C(=O)[O-] ZINC001588959077 984718974 /nfs/dbraw/zinc/71/89/74/984718974.db2.gz VAZYYQCYUPIINR-XFXZXTDPSA-N -1 0 303.333 3.765 20 0 DHADRM C/C(=C\C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C(=O)[O-] ZINC001588959176 984720372 /nfs/dbraw/zinc/72/03/72/984720372.db2.gz WJUKDKPSBAQGPM-RVDMUPIBSA-N -1 0 313.372 3.859 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC000191405434 1015059790 /nfs/dbraw/zinc/05/97/90/1015059790.db2.gz DIGYYXGVXXCZJG-NSHDSACASA-N -1 0 317.772 3.856 20 0 DHADRM CCOC(=O)Nc1ccc(NCc2csc(C(=O)[O-])c2)cc1 ZINC001596666155 984729751 /nfs/dbraw/zinc/72/97/51/984729751.db2.gz DAHJZSFQFAVKTI-UHFFFAOYSA-N -1 0 320.370 3.627 20 0 DHADRM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccs1 ZINC001599894541 984736719 /nfs/dbraw/zinc/73/67/19/984736719.db2.gz YUUNHYHJEKSINT-LBPRGKRZSA-N -1 0 324.446 3.534 20 0 DHADRM C[C@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001599903709 984892496 /nfs/dbraw/zinc/89/24/96/984892496.db2.gz CMKLDKHFQXWDDU-GFVADAIESA-N -1 0 320.728 3.949 20 0 DHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1cc(Cl)ccc1F ZINC001599904146 984900786 /nfs/dbraw/zinc/90/07/86/984900786.db2.gz HIPZHIVRGAJLQU-ZETCQYMHSA-N -1 0 312.680 3.688 20 0 DHADRM C[C@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccc(C(=O)[O-])cc1 ZINC001599905099 984911992 /nfs/dbraw/zinc/91/19/92/984911992.db2.gz RFVREOZDKYRYRQ-VIFPVBQESA-N -1 0 316.275 3.722 20 0 DHADRM C/C(=C/CSc1nc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001588991014 984913236 /nfs/dbraw/zinc/91/32/36/984913236.db2.gz OREXCCWGYJSXAW-TWGQIWQCSA-N -1 0 308.790 3.853 20 0 DHADRM C[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599906416 984928838 /nfs/dbraw/zinc/92/88/38/984928838.db2.gz AJBWLTDKALJYBR-NSHDSACASA-N -1 0 318.756 3.885 20 0 DHADRM C[C@H](OC(=O)c1cccnc1C1CC1)c1ccc(C(=O)[O-])cc1 ZINC001599906677 984931500 /nfs/dbraw/zinc/93/15/00/984931500.db2.gz SUIHJVRSRLDZHW-NSHDSACASA-N -1 0 311.337 3.575 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588996127 984931990 /nfs/dbraw/zinc/93/19/90/984931990.db2.gz ZXSNIFSGYMMLNP-VWILAXROSA-N -1 0 321.376 3.613 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001588998102 984933925 /nfs/dbraw/zinc/93/39/25/984933925.db2.gz HOVFCKJSPUCXMF-VQHVLOKHSA-N -1 0 319.357 3.936 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001588999098 984936779 /nfs/dbraw/zinc/93/67/79/984936779.db2.gz RVGJXMWLFSRQLF-KHPPLWFESA-N -1 0 322.788 3.930 20 0 DHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC001589003746 984955879 /nfs/dbraw/zinc/95/58/79/984955879.db2.gz KDQACKLGVARUAA-SDNWHVSQSA-N -1 0 309.365 3.560 20 0 DHADRM C/C(=C\c1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589011109 984986475 /nfs/dbraw/zinc/98/64/75/984986475.db2.gz VVGKAJGNOWEMKN-BQYQJAHWSA-N -1 0 323.707 3.812 20 0 DHADRM O=C(Nc1cccc(O)c1F)c1csc(-c2ccccc2)n1 ZINC000129677104 1015091522 /nfs/dbraw/zinc/09/15/22/1015091522.db2.gz KQDBZNRRGZHRAU-UHFFFAOYSA-N -1 0 314.341 3.907 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(F)c1 ZINC000656737936 1015109271 /nfs/dbraw/zinc/10/92/71/1015109271.db2.gz CYHVJRIEINVTPS-UHFFFAOYSA-N -1 0 320.389 3.516 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1 ZINC000656738696 1015109720 /nfs/dbraw/zinc/10/97/20/1015109720.db2.gz KWZFIQMPQVSXEC-UHFFFAOYSA-N -1 0 316.426 3.631 20 0 DHADRM CCO[C@H]1C[C@@H](Nc2ccc(SC)c(C(=O)[O-])c2)C12CCC2 ZINC001596842320 985531019 /nfs/dbraw/zinc/53/10/19/985531019.db2.gz JYQJPTUPFCEDKI-CABCVRRESA-N -1 0 321.442 3.866 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])[C@@H]1C ZINC001594494234 985624456 /nfs/dbraw/zinc/62/44/56/985624456.db2.gz NDTNWXNFGFZJNY-CHWSQXEVSA-N -1 0 309.365 3.532 20 0 DHADRM CC(=O)Nc1ccc(N[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001589199672 985638049 /nfs/dbraw/zinc/63/80/49/985638049.db2.gz XUXCFFVREJUMCW-SFHVURJKSA-N -1 0 324.380 3.833 20 0 DHADRM C[C@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCC1(F)F ZINC001594498990 985661702 /nfs/dbraw/zinc/66/17/02/985661702.db2.gz BJLTYCPNPSZALS-UFBFGSQYSA-N -1 0 321.726 3.582 20 0 DHADRM CC(=O)c1c(C)cc(OC[C@H]2CCCC[C@H]2C(=O)[O-])cc1C ZINC001589255435 985893574 /nfs/dbraw/zinc/89/35/74/985893574.db2.gz XNAXKLFHBWDWQA-GDBMZVCRSA-N -1 0 304.386 3.776 20 0 DHADRM CC(=O)c1cccc(CSCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001589308905 986074610 /nfs/dbraw/zinc/07/46/10/986074610.db2.gz ACSODMOSZYNXNM-UHFFFAOYSA-N -1 0 304.367 3.922 20 0 DHADRM Cc1cc(CSc2nc(C3CC3)cc(=O)[nH]2)cc(Cl)n1 ZINC000840208372 1015187223 /nfs/dbraw/zinc/18/72/23/1015187223.db2.gz ZBPLRFFJBWKSAT-UHFFFAOYSA-N -1 0 307.806 3.709 20 0 DHADRM Cc1c(C(=O)NCC2(CC(=O)[O-])CCCCC2)ccn1C(C)C ZINC001599979586 986144233 /nfs/dbraw/zinc/14/42/33/986144233.db2.gz AUKXLBRZWAQBDL-UHFFFAOYSA-N -1 0 320.433 3.532 20 0 DHADRM CCON(CC1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1C ZINC001596964623 986170408 /nfs/dbraw/zinc/17/04/08/986170408.db2.gz YXDLHSOGFQWALL-QGZVFWFLSA-N -1 0 305.418 3.955 20 0 DHADRM CCOCc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001596966808 986177451 /nfs/dbraw/zinc/17/74/51/986177451.db2.gz YNUPEMRPMCMTIR-SNVBAGLBSA-N -1 0 306.387 3.551 20 0 DHADRM C[C@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)[C@H](C)C(C)(C)C ZINC001589342281 986266483 /nfs/dbraw/zinc/26/64/83/986266483.db2.gz HUUMAKJRVFPSDC-STQMWFEESA-N -1 0 323.408 3.952 20 0 DHADRM C[C@@H](C(=O)N(c1ccccc1C(=O)[O-])C1CCC1)c1ccco1 ZINC001589343771 986275386 /nfs/dbraw/zinc/27/53/86/986275386.db2.gz XLSPEWQQNOKAHH-GFCCVEGCSA-N -1 0 313.353 3.667 20 0 DHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)[C@H](C)C(C)(C)C ZINC001589346252 986285170 /nfs/dbraw/zinc/28/51/70/986285170.db2.gz NIOGPZOWHZXTQY-SGMGOOAPSA-N -1 0 303.402 3.520 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1(C)CCC(C)CC1 ZINC001597010366 986351534 /nfs/dbraw/zinc/35/15/34/986351534.db2.gz ZBLLSWZIVIFAIG-UHFFFAOYSA-N -1 0 319.401 3.938 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@@H]1C ZINC001597016408 986380212 /nfs/dbraw/zinc/38/02/12/986380212.db2.gz AEKIVJZYZQEUBF-LBPRGKRZSA-N -1 0 320.389 3.580 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C[C@H](C)CC ZINC001597016561 986382826 /nfs/dbraw/zinc/38/28/26/986382826.db2.gz FVAUSDULLUXBCW-VXGBXAGGSA-N -1 0 322.405 3.730 20 0 DHADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC(C)(C)C1 ZINC001594584268 986458432 /nfs/dbraw/zinc/45/84/32/986458432.db2.gz YQYNTRHECZMKGS-VIFPVBQESA-N -1 0 316.323 3.671 20 0 DHADRM C[C@H]1CSC(S[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])=N1 ZINC001594609650 986597464 /nfs/dbraw/zinc/59/74/64/986597464.db2.gz IWIFHQPLKJGCGQ-KWQFWETISA-N -1 0 315.847 3.560 20 0 DHADRM C[C@H]1Cc2cc(Cl)ccc2N1Cc1cccc(C(=O)[O-])c1 ZINC001594615741 986634406 /nfs/dbraw/zinc/63/44/06/986634406.db2.gz QGWYBXLFHWRSFY-NSHDSACASA-N -1 0 301.773 3.989 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1cccs1 ZINC001589439620 986777064 /nfs/dbraw/zinc/77/70/64/986777064.db2.gz JRSHFLCQKMVWSL-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM CCOc1ccc(NC(=O)CC(C)(C)C2CC2)c(C(=O)[O-])c1F ZINC001597112472 986778690 /nfs/dbraw/zinc/77/86/90/986778690.db2.gz NUUDPMREAUYLSL-UHFFFAOYSA-N -1 0 323.364 3.687 20 0 DHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589440207 986784064 /nfs/dbraw/zinc/78/40/64/986784064.db2.gz SARWWFMNUIBCIL-SNVBAGLBSA-N -1 0 303.745 3.780 20 0 DHADRM C[C@@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccco1 ZINC001589445642 986814322 /nfs/dbraw/zinc/81/43/22/986814322.db2.gz UPUHTESUEVRTFW-SECBINFHSA-N -1 0 315.350 3.935 20 0 DHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccsc1C(=O)[O-] ZINC001594666252 986964030 /nfs/dbraw/zinc/96/40/30/986964030.db2.gz SUBSNHFMTIGKIU-SECBINFHSA-N -1 0 323.364 3.844 20 0 DHADRM CCOc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001597168171 986996136 /nfs/dbraw/zinc/99/61/36/986996136.db2.gz KVXMKEKDKDTCNE-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM C/C=C(/C=C/C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)CC ZINC001594677810 987018192 /nfs/dbraw/zinc/01/81/92/987018192.db2.gz VFQAIIWFKZQIJX-AZDNTCDISA-N -1 0 319.376 3.544 20 0 DHADRM CC/C(=C/C(=O)N(CC(=O)[O-])[C@@H](C)CC)c1ccc(C)cc1 ZINC001594691607 987091707 /nfs/dbraw/zinc/09/17/07/987091707.db2.gz MBPQUYBSTSCCLX-XFNCEPBJSA-N -1 0 303.402 3.500 20 0 DHADRM CC/C(=C\C(=O)N(CC(=O)[O-])[C@H](C)CC)c1ccc(C)cc1 ZINC001594691606 987091865 /nfs/dbraw/zinc/09/18/65/987091865.db2.gz MBPQUYBSTSCCLX-XDPMZMSMSA-N -1 0 303.402 3.500 20 0 DHADRM CCC(=CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])CC ZINC001594692178 987100989 /nfs/dbraw/zinc/10/09/89/987100989.db2.gz WISRWABMYNPORL-UHFFFAOYSA-N -1 0 303.402 3.625 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC001589512070 987146143 /nfs/dbraw/zinc/14/61/43/987146143.db2.gz GTILUYSPHHBFTQ-ZVLZOBCMSA-N -1 0 316.401 3.577 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C(F)F)CCCC2)c1 ZINC001589522876 987183101 /nfs/dbraw/zinc/18/31/01/987183101.db2.gz QNVXUGLBNGCPKY-JTQLQIEISA-N -1 0 311.328 3.639 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC001589532506 987214685 /nfs/dbraw/zinc/21/46/85/987214685.db2.gz FFBHYCCOBDFJRP-GFCCVEGCSA-N -1 0 319.401 3.599 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(Nc2ncnc3c(F)cccc23)c1 ZINC001589539892 987238425 /nfs/dbraw/zinc/23/84/25/987238425.db2.gz MSVKKHFZRGHDRE-JTQLQIEISA-N -1 0 311.316 3.701 20 0 DHADRM CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001594735385 987268556 /nfs/dbraw/zinc/26/85/56/987268556.db2.gz MLJAXYZHXFDODO-AWEZNQCLSA-N -1 0 315.344 3.965 20 0 DHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001594735579 987270335 /nfs/dbraw/zinc/27/03/35/987270335.db2.gz NBGWBPFRFRTWNI-LBPRGKRZSA-N -1 0 318.760 3.566 20 0 DHADRM CC[C@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001594735944 987273311 /nfs/dbraw/zinc/27/33/11/987273311.db2.gz RWGFLCCPIGALNM-ZDUSSCGKSA-N -1 0 319.307 3.795 20 0 DHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccsc1 ZINC001589549344 987284553 /nfs/dbraw/zinc/28/45/53/987284553.db2.gz ZYMYYFPPXCHMJI-VIFPVBQESA-N -1 0 324.785 3.947 20 0 DHADRM CCSCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597264870 987292233 /nfs/dbraw/zinc/29/22/33/987292233.db2.gz AUVVMVCNUCSEJH-UONOGXRCSA-N -1 0 321.442 3.769 20 0 DHADRM CCSCc1ccnc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC001597267202 987300943 /nfs/dbraw/zinc/30/09/43/987300943.db2.gz HEZKTUQXGXONQF-MRVWCRGKSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1ccc(CC(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597272328 987319744 /nfs/dbraw/zinc/31/97/44/987319744.db2.gz DVOCOFPZGSWGES-KGLIPLIRSA-N -1 0 322.426 3.528 20 0 DHADRM CCSc1cccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001597273416 987329023 /nfs/dbraw/zinc/32/90/23/987329023.db2.gz USAUBSCFMYYIHI-UHFFFAOYSA-N -1 0 321.442 3.564 20 0 DHADRM CCSc1nnc(SCc2cc(C(=O)[O-])c(C)o2)s1 ZINC001597280243 987351469 /nfs/dbraw/zinc/35/14/69/987351469.db2.gz VYSVVFJLCLNLRK-UHFFFAOYSA-N -1 0 316.429 3.542 20 0 DHADRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001597291782 987382934 /nfs/dbraw/zinc/38/29/34/987382934.db2.gz XKGRCHMMUHVFJJ-BXKDBHETSA-N -1 0 308.378 3.782 20 0 DHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589597731 987416934 /nfs/dbraw/zinc/41/69/34/987416934.db2.gz AULIDSKQBKXXIU-RBSFLKMASA-N -1 0 317.429 3.637 20 0 DHADRM CCc1[nH]c(C(=O)N([C@H](C)CC)[C@@H](C)CC)c(C)c1C(=O)[O-] ZINC001597354965 987499928 /nfs/dbraw/zinc/49/99/28/987499928.db2.gz UKNMMGTVAVCPDP-PHIMTYICSA-N -1 0 308.422 3.623 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001597355621 987502570 /nfs/dbraw/zinc/50/25/70/987502570.db2.gz JEHLCFANCRKVBC-MGCOHNPYSA-N -1 0 310.781 3.588 20 0 DHADRM CCc1[nH]c(C(=O)NC(C)(C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC001597363041 987527909 /nfs/dbraw/zinc/52/79/09/987527909.db2.gz CBXBOLWCBZHHEC-UHFFFAOYSA-N -1 0 308.422 3.528 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2CCC=CCC2)cc1 ZINC001589636115 987550303 /nfs/dbraw/zinc/55/03/03/987550303.db2.gz BQINDJKGUOSCJA-UHFFFAOYSA-N -1 0 316.401 3.669 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCC2CC=CC2)cc1 ZINC001589637754 987557206 /nfs/dbraw/zinc/55/72/06/987557206.db2.gz JILDMMMKBMMPCQ-UHFFFAOYSA-N -1 0 316.401 3.527 20 0 DHADRM CCc1[nH]c(C(=O)O[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597379034 987568739 /nfs/dbraw/zinc/56/87/39/987568739.db2.gz VVOGRAHUBNIORV-NSHDSACASA-N -1 0 301.342 3.502 20 0 DHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C(C)(C)C(C)(F)F)c1 ZINC001589644275 987577839 /nfs/dbraw/zinc/57/78/39/987577839.db2.gz RPGVUTNJDBDCHB-UHFFFAOYSA-N -1 0 314.328 3.636 20 0 DHADRM CCc1[nH]c(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380803 987579994 /nfs/dbraw/zinc/57/99/94/987579994.db2.gz YUVBVZBJBJUIAF-JTQLQIEISA-N -1 0 322.355 3.747 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-] ZINC001597406740 987686775 /nfs/dbraw/zinc/68/67/75/987686775.db2.gz ZXRNCUAGSPZKFN-SMDDNHRTSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1c2ccccc2oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001597407039 987690390 /nfs/dbraw/zinc/69/03/90/987690390.db2.gz JERSOTAMPXXXPJ-UHFFFAOYSA-N -1 0 323.348 3.623 20 0 DHADRM CC(C)(C(=O)Oc1ccc(CC(=O)[O-])cc1F)C1CCCCC1 ZINC001589681713 987714232 /nfs/dbraw/zinc/71/42/32/987714232.db2.gz AQGLSUVYMZBIHZ-UHFFFAOYSA-N -1 0 322.376 3.965 20 0 DHADRM CCc1c(NCc2ccc(C(=O)[O-])c(F)c2)cnn1CC(C)C ZINC001597420210 987732339 /nfs/dbraw/zinc/73/23/39/987732339.db2.gz YDJFZXPVMWFNIR-UHFFFAOYSA-N -1 0 319.380 3.551 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C[C@H]1CCCc2ccccc21 ZINC001589700706 987792975 /nfs/dbraw/zinc/79/29/75/987792975.db2.gz PAIPRCFFOZDFSF-GDBMZVCRSA-N -1 0 317.429 3.502 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCCC1(F)F ZINC001597450612 987840553 /nfs/dbraw/zinc/84/05/53/987840553.db2.gz YWJOZNCTQSXSID-GFCCVEGCSA-N -1 0 311.328 3.711 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(C)cc1 ZINC001597452657 987850323 /nfs/dbraw/zinc/85/03/23/987850323.db2.gz VJJFQFIJMWKATH-UHFFFAOYSA-N -1 0 311.381 3.827 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CC12CCCCC2 ZINC001597456893 987866506 /nfs/dbraw/zinc/86/65/06/987866506.db2.gz DDFSFOQQZJVEGR-HNNXBMFYSA-N -1 0 316.401 3.792 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(C1CC1)C1CC1 ZINC001597458004 987879722 /nfs/dbraw/zinc/87/97/22/987879722.db2.gz QPNDOIAICZSTLN-UHFFFAOYSA-N -1 0 316.401 3.505 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC001597458113 987880495 /nfs/dbraw/zinc/88/04/95/987880495.db2.gz CSEZWZBAGHXKDO-GJZGRUSLSA-N -1 0 316.401 3.505 20 0 DHADRM CS[C@H](C)CCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599784899 987905554 /nfs/dbraw/zinc/90/55/54/987905554.db2.gz YIBNDYQQMGYKBS-SSDOTTSWSA-N -1 0 301.433 3.533 20 0 DHADRM CC(C)(C)C1CCC(=CC(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001589726885 987915581 /nfs/dbraw/zinc/91/55/81/987915581.db2.gz TWOLDJVXRFHHHY-VYRBHSGPSA-N -1 0 321.461 3.766 20 0 DHADRM FC(F)(F)c1nnc([N-]c2cnn(C3CCCC3)c2)s1 ZINC000895889063 1015347474 /nfs/dbraw/zinc/34/74/74/1015347474.db2.gz SNLWQKCFHWAJHQ-UHFFFAOYSA-N -1 0 303.313 3.612 20 0 DHADRM CS[C@@H]1CC[C@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788969 987974803 /nfs/dbraw/zinc/97/48/03/987974803.db2.gz LUJKWDMUFOWDHV-GDBMZVCRSA-N -1 0 320.458 3.681 20 0 DHADRM CS/C=C/C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599790346 987995662 /nfs/dbraw/zinc/99/56/62/987995662.db2.gz JJDKMBLSVPINMP-NSCUHMNNSA-N -1 0 306.170 3.507 20 0 DHADRM CS/C=C\C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599790344 987996280 /nfs/dbraw/zinc/99/62/80/987996280.db2.gz JJDKMBLSVPINMP-IHWYPQMZSA-N -1 0 306.170 3.507 20 0 DHADRM COc1ccc(F)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474428966 1015353575 /nfs/dbraw/zinc/35/35/75/1015353575.db2.gz VAKQBOQWCAXSJW-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589745516 988040531 /nfs/dbraw/zinc/04/05/31/988040531.db2.gz NOTHFISOPVPHRH-MJBXVCDLSA-N -1 0 323.820 3.654 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001597503796 988073973 /nfs/dbraw/zinc/07/39/73/988073973.db2.gz YLBMEFHNFOZMMI-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)OCc2ccccc2C)c1 ZINC001597506623 988076706 /nfs/dbraw/zinc/07/67/06/988076706.db2.gz JYPQPDPTSRQQLI-UHFFFAOYSA-N -1 0 314.337 3.971 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC[C@H](O)c2ccc(F)cc2C)c1 ZINC001597506962 988079294 /nfs/dbraw/zinc/07/92/94/988079294.db2.gz PBNBLIADOCNOCL-INIZCTEOSA-N -1 0 318.344 3.507 20 0 DHADRM COc1cccc(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474435352 1015360214 /nfs/dbraw/zinc/36/02/14/1015360214.db2.gz AZQQRUCIWCHUTF-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001589764330 988099250 /nfs/dbraw/zinc/09/92/50/988099250.db2.gz HDTDSWOZWSCTGY-LLVKDONJSA-N -1 0 310.419 3.879 20 0 DHADRM CSCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599797510 988121367 /nfs/dbraw/zinc/12/13/67/988121367.db2.gz NOOUMXKUELUNLG-UHFFFAOYSA-N -1 0 319.785 3.649 20 0 DHADRM Cc1cccc(C)c1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474445487 1015363502 /nfs/dbraw/zinc/36/35/02/1015363502.db2.gz MPBUSWFPPUQTQB-UHFFFAOYSA-N -1 0 307.752 3.983 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc2cc[nH]c2c1 ZINC000474444983 1015365352 /nfs/dbraw/zinc/36/53/52/1015365352.db2.gz JXGUEBHYNSSRFL-UHFFFAOYSA-N -1 0 304.708 3.918 20 0 DHADRM CCc1ccc(CC)c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001597521568 988157365 /nfs/dbraw/zinc/15/73/65/988157365.db2.gz UKXUDSVLKVYNCJ-UHFFFAOYSA-N -1 0 315.413 3.785 20 0 DHADRM CCc1ccc(CN(C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001597524593 988161843 /nfs/dbraw/zinc/16/18/43/988161843.db2.gz BKKZBFIYIJDFLF-UHFFFAOYSA-N -1 0 318.398 3.673 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001597530529 988185108 /nfs/dbraw/zinc/18/51/08/988185108.db2.gz FSIFHAXCIAJXMY-NSHDSACASA-N -1 0 315.344 3.829 20 0 DHADRM CCc1ccc(F)cc1C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001597530750 988188081 /nfs/dbraw/zinc/18/80/81/988188081.db2.gz MMGOTUOSNZMUKP-UHFFFAOYSA-N -1 0 321.392 3.542 20 0 DHADRM CCc1ccc(CS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])nc1 ZINC001597530846 988188938 /nfs/dbraw/zinc/18/89/38/988188938.db2.gz RPVDNJJHWPAFFF-KRWDZBQOSA-N -1 0 315.438 3.882 20 0 DHADRM CC(C)(C)N(Cc1ccsc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001589796924 988199542 /nfs/dbraw/zinc/19/95/42/988199542.db2.gz ZPZPYFCAOMITDI-UHFFFAOYSA-N -1 0 317.410 3.887 20 0 DHADRM CCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001597543008 988236410 /nfs/dbraw/zinc/23/64/10/988236410.db2.gz OUVNJGJGHYFSSH-VXGBXAGGSA-N -1 0 309.793 3.732 20 0 DHADRM CCc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c(C(=O)[O-])c1 ZINC001597543100 988237852 /nfs/dbraw/zinc/23/78/52/988237852.db2.gz STUVOTWTWKNSRS-KBPBESRZSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1ccc(NC(=O)Cc2coc3ccccc23)c(C(=O)[O-])c1 ZINC001597544611 988242465 /nfs/dbraw/zinc/24/24/65/988242465.db2.gz GPVHYGCLNULMGZ-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CCc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC001597550827 988269540 /nfs/dbraw/zinc/26/95/40/988269540.db2.gz NGUDKCPSSPIEAE-SOFGYWHQSA-N -1 0 319.744 3.846 20 0 DHADRM CSc1cc(F)ccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599808926 988300625 /nfs/dbraw/zinc/30/06/25/988300625.db2.gz QJCAPNPNBGSWKJ-UHFFFAOYSA-N -1 0 319.357 3.807 20 0 DHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001597568755 988326587 /nfs/dbraw/zinc/32/65/87/988326587.db2.gz HQAAPKCQRHGVKI-UHFFFAOYSA-N -1 0 316.382 3.603 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc2ccccc2o1 ZINC001597573000 988356991 /nfs/dbraw/zinc/35/69/91/988356991.db2.gz QDJUAXQNZISGBZ-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM CSc1ccc(CCCC(=O)OC2CC(CC(=O)[O-])C2)cc1 ZINC001599812450 988361065 /nfs/dbraw/zinc/36/10/65/988361065.db2.gz FFRXLPFSQKXJRO-UHFFFAOYSA-N -1 0 322.426 3.528 20 0 DHADRM CSc1ccc(C)c(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC001599812517 988361969 /nfs/dbraw/zinc/36/19/69/988361969.db2.gz MBVHCIUVCMIJLS-UHFFFAOYSA-N -1 0 318.398 3.612 20 0 DHADRM CCc1cccc(F)c1COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001597592894 988421945 /nfs/dbraw/zinc/42/19/45/988421945.db2.gz MJIXTFZUUNJXPM-UHFFFAOYSA-N -1 0 320.291 3.582 20 0 DHADRM CSc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc1C(=O)[O-] ZINC001599816095 988427043 /nfs/dbraw/zinc/42/70/43/988427043.db2.gz AEYKFGCEYLLOEV-JTQLQIEISA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1C(=O)[O-] ZINC001599816183 988428122 /nfs/dbraw/zinc/42/81/22/988428122.db2.gz CCRBRCSRLSWPEH-UHFFFAOYSA-N -1 0 320.414 3.515 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc2oc(C)nc2c1 ZINC001597595092 988438496 /nfs/dbraw/zinc/43/84/96/988438496.db2.gz ZXNFWAKYEWAEFO-UHFFFAOYSA-N -1 0 324.336 3.649 20 0 DHADRM CSc1ccc(NC(=O)N2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC001599816706 988439611 /nfs/dbraw/zinc/43/96/11/988439611.db2.gz LVXFKHVINDCAIO-UHFFFAOYSA-N -1 0 322.430 3.761 20 0 DHADRM CCc1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001597595731 988444951 /nfs/dbraw/zinc/44/49/51/988444951.db2.gz YKVPABZFCHHEIU-INIZCTEOSA-N -1 0 318.417 3.652 20 0 DHADRM CSc1ccc(NC(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC001599817338 988449900 /nfs/dbraw/zinc/44/99/00/988449900.db2.gz KBZJQZUDVLULTK-UHFFFAOYSA-N -1 0 315.394 3.976 20 0 DHADRM CSc1ccc(NC(=O)N[C@]2(C)CC=CCC2)cc1C(=O)[O-] ZINC001599817519 988452090 /nfs/dbraw/zinc/45/20/90/988452090.db2.gz HXVORKRHFZQSOY-MRXNPFEDSA-N -1 0 320.414 3.727 20 0 DHADRM CCc1cccc2cc(CN[C@@H](C(=O)[O-])c3cccs3)oc21 ZINC001597603565 988469321 /nfs/dbraw/zinc/46/93/21/988469321.db2.gz ITQMFCLLVBYNPG-OAHLLOKOSA-N -1 0 315.394 3.972 20 0 DHADRM CCc1ccccc1CC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001597609136 988491360 /nfs/dbraw/zinc/49/13/60/988491360.db2.gz KYDHGDSWTGXVEP-UHFFFAOYSA-N -1 0 318.756 3.749 20 0 DHADRM CSc1ccccc1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001599823570 988557861 /nfs/dbraw/zinc/55/78/61/988557861.db2.gz XROHWPFDOXPHBK-UHFFFAOYSA-N -1 0 323.458 3.618 20 0 DHADRM CSc1ccccc1CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599823732 988559902 /nfs/dbraw/zinc/55/99/02/988559902.db2.gz BDWKYEOVXRGFAO-JTQLQIEISA-N -1 0 320.366 3.547 20 0 DHADRM CSc1ccccc1CC(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599823769 988560161 /nfs/dbraw/zinc/56/01/61/988560161.db2.gz CXQCNTAIACWLEZ-UHFFFAOYSA-N -1 0 321.423 3.658 20 0 DHADRM CSc1ccccc1CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001599823854 988562955 /nfs/dbraw/zinc/56/29/55/988562955.db2.gz HYWGUIOHYBSUCI-SNVBAGLBSA-N -1 0 320.366 3.547 20 0 DHADRM CSc1ccccc1CN(C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599824050 988566639 /nfs/dbraw/zinc/56/66/39/988566639.db2.gz OVZYMJBWJLHICY-SNVBAGLBSA-N -1 0 322.455 3.756 20 0 DHADRM CCc1nc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)sc1C(=O)[O-] ZINC001597676296 988789876 /nfs/dbraw/zinc/78/98/76/988789876.db2.gz SETQUGVSRZJSOC-ONGXEEELSA-N -1 0 322.430 3.581 20 0 DHADRM CCc1nc(OC)ccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001597686097 988847555 /nfs/dbraw/zinc/84/75/55/988847555.db2.gz KYSKABQKMFSRJJ-UHFFFAOYSA-N -1 0 320.776 3.616 20 0 DHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001599842159 988860590 /nfs/dbraw/zinc/86/05/90/988860590.db2.gz IBVGTWCUPIMMBH-SSDOTTSWSA-N -1 0 312.156 3.655 20 0 DHADRM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)[C@H](C(F)(F)F)C1 ZINC001599848557 988975191 /nfs/dbraw/zinc/97/51/91/988975191.db2.gz SGTLWVOGSIVLNL-RNCFNFMXSA-N -1 0 319.298 3.687 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2cccc(Cl)c2C1 ZINC001597766633 989215642 /nfs/dbraw/zinc/21/56/42/989215642.db2.gz ZAFNNPACEFAYCA-UHFFFAOYSA-N -1 0 319.788 3.752 20 0 DHADRM C[C@@H]1C[C@@H](OC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001599870629 989344228 /nfs/dbraw/zinc/34/42/28/989344228.db2.gz DYICLGDYIWTKKE-IUODEOHRSA-N -1 0 304.386 3.685 20 0 DHADRM CCc1oc(CNc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597804458 989406502 /nfs/dbraw/zinc/40/65/02/989406502.db2.gz BUFBFGHZNQJIAE-UHFFFAOYSA-N -1 0 324.174 3.915 20 0 DHADRM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001599884502 989532573 /nfs/dbraw/zinc/53/25/73/989532573.db2.gz FGAGBPDOWSPOOX-ZDUSSCGKSA-N -1 0 321.726 3.798 20 0 DHADRM CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001590302718 989728275 /nfs/dbraw/zinc/72/82/75/989728275.db2.gz CMTCMUGKNAFUGO-FZMZJTMJSA-N -1 0 320.389 3.699 20 0 DHADRM CCn1ccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1C ZINC001597902771 989780498 /nfs/dbraw/zinc/78/04/98/989780498.db2.gz QQFPWRAXRULEKP-UHFFFAOYSA-N -1 0 322.364 3.920 20 0 DHADRM CC(C)(C)OCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001590382892 989900383 /nfs/dbraw/zinc/90/03/83/989900383.db2.gz SPCHPDQBWQLRDJ-UHFFFAOYSA-N -1 0 314.765 3.539 20 0 DHADRM CC(C)(C)Oc1cccc(C(=O)NCCCCCCC(=O)[O-])c1 ZINC001590417110 989958855 /nfs/dbraw/zinc/95/88/55/989958855.db2.gz VJDJNSGHEKIAJK-UHFFFAOYSA-N -1 0 321.417 3.629 20 0 DHADRM CC(C)(C)SCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001590429825 989988159 /nfs/dbraw/zinc/98/81/59/989988159.db2.gz 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/nfs/dbraw/zinc/09/64/93/990096493.db2.gz MTAQSWVNCFDGEW-UHFFFAOYSA-N -1 0 318.417 3.743 20 0 DHADRM CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CC(C)(C)CC(C)(C)C1 ZINC001598002855 990137495 /nfs/dbraw/zinc/13/74/95/990137495.db2.gz BUOVNPMISQDREB-UONOGXRCSA-N -1 0 323.477 3.941 20 0 DHADRM CC(C)(C)c1nc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)co1 ZINC001590537203 990152658 /nfs/dbraw/zinc/15/26/58/990152658.db2.gz FAGNWBQXKFYZAW-UHFFFAOYSA-N -1 0 323.732 3.543 20 0 DHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC001598007281 990165758 /nfs/dbraw/zinc/16/57/58/990165758.db2.gz HKHFYDXSAFIJMN-UHFFFAOYSA-N -1 0 311.466 3.941 20 0 DHADRM CN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccccc1C(=O)[O-] ZINC001598008631 990171665 /nfs/dbraw/zinc/17/16/65/990171665.db2.gz YDOOCZGEVYBDBH-BBRMVZONSA-N -1 0 323.339 3.563 20 0 DHADRM CN(C(=O)CCCc1ccccc1Cl)C1(C(=O)[O-])CCCC1 ZINC001598013009 990189106 /nfs/dbraw/zinc/18/91/06/990189106.db2.gz SNMNGOUXZWUVQT-UHFFFAOYSA-N -1 0 323.820 3.519 20 0 DHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc([O-])c(Cl)c1 ZINC000116460031 1015547043 /nfs/dbraw/zinc/54/70/43/1015547043.db2.gz NURNFTNYGAUODC-RNCFNFMXSA-N -1 0 323.726 3.610 20 0 DHADRM CC(C)(C)n1cc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cn1 ZINC001590593339 990244061 /nfs/dbraw/zinc/24/40/61/990244061.db2.gz CQZSFDVYOOSASJ-ZIAGYGMSSA-N -1 0 307.438 3.864 20 0 DHADRM CC(C)(c1noc(-c2ccc(C(=O)[O-])o2)n1)C1=CCCCC1 ZINC001590615041 990285801 /nfs/dbraw/zinc/28/58/01/990285801.db2.gz GZLBYWJKDUKSJP-UHFFFAOYSA-N -1 0 302.330 3.806 20 0 DHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cccc(Cl)c1[O-] ZINC001126563518 1015555952 /nfs/dbraw/zinc/55/59/52/1015555952.db2.gz ZWCUICQTLZFPIE-PBHICJAKSA-N -1 0 301.773 3.506 20 0 DHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598083066 990405566 /nfs/dbraw/zinc/40/55/66/990405566.db2.gz JIHIRBUWILJPCQ-DZGCQCFKSA-N -1 0 321.392 3.811 20 0 DHADRM CN(C(=O)c1sccc1C(F)F)c1ccccc1C(=O)[O-] ZINC001598103274 990470667 /nfs/dbraw/zinc/47/06/67/990470667.db2.gz DYNYQUAKHQNJSL-UHFFFAOYSA-N -1 0 311.309 3.661 20 0 DHADRM CC(C)(CNC(=O)N1CCCC2(C1)CCCCCC2)CC(=O)[O-] ZINC001590717163 990481518 /nfs/dbraw/zinc/48/15/18/990481518.db2.gz KCFHQOUBOPTVGP-UHFFFAOYSA-N -1 0 324.465 3.633 20 0 DHADRM CC(C)(CSCC(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC001590820033 990652344 /nfs/dbraw/zinc/65/23/44/990652344.db2.gz FFMDJUOLSUDOJY-UHFFFAOYSA-N -1 0 317.410 3.622 20 0 DHADRM CC(C)(Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)CC(F)F ZINC001590826474 990666957 /nfs/dbraw/zinc/66/69/57/990666957.db2.gz DFNHXZXFMVCTDB-UHFFFAOYSA-N -1 0 310.300 3.659 20 0 DHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1F ZINC001590854762 990736179 /nfs/dbraw/zinc/73/61/79/990736179.db2.gz HGISXKYFLPRNGS-UHFFFAOYSA-N -1 0 322.361 3.642 20 0 DHADRM CC(C)(O)c1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001590902450 990863198 /nfs/dbraw/zinc/86/31/98/990863198.db2.gz UWTJAMBVFQWJDK-UHFFFAOYSA-N -1 0 320.772 3.845 20 0 DHADRM CC(C)(c1ccccc1)C1(NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001590908801 990877346 /nfs/dbraw/zinc/87/73/46/990877346.db2.gz LZGDOKXAKSMCOR-UHFFFAOYSA-N -1 0 323.392 3.625 20 0 DHADRM CC(C)=CCC[C@H](C)CC(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001590914211 990896820 /nfs/dbraw/zinc/89/68/20/990896820.db2.gz CCJYSZZUAYBUJJ-JONQDZQNSA-N -1 0 309.450 3.859 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1(C)C ZINC001590914964 990901166 /nfs/dbraw/zinc/90/11/66/990901166.db2.gz MYZKYSUHLWCZRW-GJZGRUSLSA-N -1 0 301.386 3.870 20 0 DHADRM CC(C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001590970201 991100525 /nfs/dbraw/zinc/10/05/25/991100525.db2.gz PYPGCXITHWSPJR-CABZTGNLSA-N -1 0 318.291 3.666 20 0 DHADRM COc1ccccc1-c1cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c1 ZINC001599694136 991119648 /nfs/dbraw/zinc/11/96/48/991119648.db2.gz UCHREUREHPEPMG-UHFFFAOYSA-N -1 0 317.341 3.645 20 0 DHADRM CC(C)[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001590975991 991119931 /nfs/dbraw/zinc/11/99/31/991119931.db2.gz INEGFIFNSAGYNX-DJIMGWMZSA-N -1 0 317.429 3.528 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001590981530 991142170 /nfs/dbraw/zinc/14/21/70/991142170.db2.gz WDMPZJDBNYSMGX-INIZCTEOSA-N -1 0 323.477 3.990 20 0 DHADRM COc1ccccc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599697315 991167576 /nfs/dbraw/zinc/16/75/76/991167576.db2.gz XDXWRDSNDSBZMM-UHFFFAOYSA-N -1 0 321.332 3.799 20 0 DHADRM CN(C)c1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001598342211 991409984 /nfs/dbraw/zinc/40/99/84/991409984.db2.gz UTRAWLZUAQJMIV-UHFFFAOYSA-N -1 0 304.777 3.716 20 0 DHADRM CC(C)[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccnc1 ZINC001591057788 991470119 /nfs/dbraw/zinc/47/01/19/991470119.db2.gz KHAHTAHGEHFKPB-OAHLLOKOSA-N -1 0 323.352 3.618 20 0 DHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001591060902 991495415 /nfs/dbraw/zinc/49/54/15/991495415.db2.gz AYURPQULFWTJDD-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM COc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])ccc1Cl ZINC001599718574 991498200 /nfs/dbraw/zinc/49/82/00/991498200.db2.gz JIJTXOAQFOEABU-LLVKDONJSA-N -1 0 319.788 3.898 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001591061782 991503843 /nfs/dbraw/zinc/50/38/43/991503843.db2.gz NLXMTLMDEWUQGN-QAPCUYQASA-N -1 0 319.401 3.551 20 0 DHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591080131 991580623 /nfs/dbraw/zinc/58/06/23/991580623.db2.gz OTBYDTYINGPLCU-WDEREUQCSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001591080761 991586390 /nfs/dbraw/zinc/58/63/90/991586390.db2.gz CUCZZTZWNWCNQK-LSDHHAIUSA-N -1 0 321.461 3.743 20 0 DHADRM CC(C)[C@@H]1CCCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001591087658 991610664 /nfs/dbraw/zinc/61/06/64/991610664.db2.gz PBUPXHLQUFTYJD-SNVBAGLBSA-N -1 0 316.323 3.671 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001591087899 991614060 /nfs/dbraw/zinc/61/40/60/991614060.db2.gz BUQZWQFADRJVID-GXTWGEPZSA-N -1 0 321.392 3.859 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)[C@H]1C(C)C ZINC001591094004 991667022 /nfs/dbraw/zinc/66/70/22/991667022.db2.gz DWIXYVBLKRJJEQ-YOEHRIQHSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000535653953 1015650743 /nfs/dbraw/zinc/65/07/43/1015650743.db2.gz CZGHAJWEJADNBZ-ZCFIWIBFSA-N -1 0 306.587 3.793 20 0 DHADRM CC(C)[C@H]1N(c2ncc(C(=O)[O-])cc2Cl)CC12CC=CC2 ZINC001591098703 991704002 /nfs/dbraw/zinc/70/40/02/991704002.db2.gz DPJPVMDROGKLFY-CYBMUJFWSA-N -1 0 306.793 3.614 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2c[nH]c(C(=O)[O-])c2)CC12CCCCCC2 ZINC001591099365 991710930 /nfs/dbraw/zinc/71/09/30/991710930.db2.gz LBYBSIAOBYNGJV-HNNXBMFYSA-N -1 0 318.417 3.534 20 0 DHADRM CC(C)[C@@H]1N(C(=O)NCCCCCCCC(=O)[O-])CC12CCC2 ZINC001591099517 991711749 /nfs/dbraw/zinc/71/17/49/991711749.db2.gz MJEPGISBPCNFOY-INIZCTEOSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(C)C ZINC001591099836 991716652 /nfs/dbraw/zinc/71/66/52/991716652.db2.gz QOTBPLRDNYUCNW-ZDUSSCGKSA-N -1 0 324.808 3.937 20 0 DHADRM CC(C)[C@@H]1N(C(=O)c2ccccc2C(=O)[O-])CC12CCCCC2 ZINC001591100353 991723208 /nfs/dbraw/zinc/72/32/08/991723208.db2.gz WLMRCMFMWXCQDY-INIZCTEOSA-N -1 0 315.413 3.816 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])N1CC2(CCCC2)c2c1cccc2F ZINC001591120161 991791390 /nfs/dbraw/zinc/79/13/90/991791390.db2.gz LMNWTMPIMBCMKP-OAHLLOKOSA-N -1 0 305.393 3.957 20 0 DHADRM CN(CC1CCC1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598453758 991919648 /nfs/dbraw/zinc/91/96/48/991919648.db2.gz ZZFFRPAKCFGVSF-UHFFFAOYSA-N -1 0 322.430 3.517 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001591196477 992011352 /nfs/dbraw/zinc/01/13/52/992011352.db2.gz CMXHMMOQXRSAKW-UHFFFAOYSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)CC1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001591210821 992047534 /nfs/dbraw/zinc/04/75/34/992047534.db2.gz FLMBWNCXUHMULG-UHFFFAOYSA-N -1 0 315.417 3.519 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591227457 992099745 /nfs/dbraw/zinc/09/97/45/992099745.db2.gz JDAUEQXZJDOFOS-HVHJFMEUSA-N -1 0 319.401 3.808 20 0 DHADRM CC(C)CCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001591227852 992101779 /nfs/dbraw/zinc/10/17/79/992101779.db2.gz MNPQOXWKCJZPSU-SFHVURJKSA-N -1 0 313.397 3.908 20 0 DHADRM CC(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001591228318 992103775 /nfs/dbraw/zinc/10/37/75/992103775.db2.gz CCSWWXJOCSHXHL-PMPSAXMXSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001591229890 992115563 /nfs/dbraw/zinc/11/55/63/992115563.db2.gz ZLCALIVUYRXCNW-GFCCVEGCSA-N -1 0 324.396 3.538 20 0 DHADRM CC(C)CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591279994 992205218 /nfs/dbraw/zinc/20/52/18/992205218.db2.gz AAKDJTVEZKITQB-QWHCGFSZSA-N -1 0 323.820 3.830 20 0 DHADRM CC(C)CN(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(C)(C)C(=O)[O-] ZINC001591281122 992212273 /nfs/dbraw/zinc/21/22/73/992212273.db2.gz HHJHPHDKXLLOMY-FICVDOATSA-N -1 0 309.450 3.551 20 0 DHADRM CC(C)CN(C(=O)c1cc(F)cc(C(=O)[O-])c1)C1CCCC1 ZINC001591284687 992220584 /nfs/dbraw/zinc/22/05/84/992220584.db2.gz DIBZALBPNPBSED-UHFFFAOYSA-N -1 0 307.365 3.565 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(C2CC2)cc1 ZINC001591312964 992274009 /nfs/dbraw/zinc/27/40/09/992274009.db2.gz GBOZTDGLQYCMBC-UHFFFAOYSA-N -1 0 317.429 3.773 20 0 DHADRM CS[C@@H](C(=O)OCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001599780784 992361540 /nfs/dbraw/zinc/36/15/40/992361540.db2.gz LWZQXKPJQDQKFO-OAHLLOKOSA-N -1 0 316.378 3.532 20 0 DHADRM CS[C@H](C)CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001599782410 992382673 /nfs/dbraw/zinc/38/26/73/992382673.db2.gz AZUWBNHRJLOAIS-MRVPVSSYSA-N -1 0 301.795 3.508 20 0 DHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591444858 992544345 /nfs/dbraw/zinc/54/43/45/992544345.db2.gz ZRDRXZSZCISBCS-GHMZBOCLSA-N -1 0 307.415 3.944 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C1(C(F)(F)F)CC1 ZINC001598509131 992546118 /nfs/dbraw/zinc/54/61/18/992546118.db2.gz BWRADZDTNWOGRF-UHFFFAOYSA-N -1 0 307.699 3.565 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)c(F)c1 ZINC001598509169 992546742 /nfs/dbraw/zinc/54/67/42/992546742.db2.gz FZWGKSVPYQBAOP-UHFFFAOYSA-N -1 0 311.715 3.953 20 0 DHADRM CC(C)Cc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001591483864 992606135 /nfs/dbraw/zinc/60/61/35/992606135.db2.gz NUTBSTIGPKCPMH-HNNXBMFYSA-N -1 0 318.417 3.508 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cn1)[C@H](c1ccccc1)C(F)(F)F ZINC001598515592 992614282 /nfs/dbraw/zinc/61/42/82/992614282.db2.gz NCCKXYQNGJAHQK-CQSZACIVSA-N -1 0 324.302 3.515 20 0 DHADRM CN(Cc1ccc(F)cc1Cl)Cc1ccccc1CC(=O)[O-] ZINC001598519053 992655717 /nfs/dbraw/zinc/65/57/17/992655717.db2.gz GGKKNQWXBWUVPW-UHFFFAOYSA-N -1 0 321.779 3.738 20 0 DHADRM CN(Cc1ccc2cc[nH]c2c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598524892 992706709 /nfs/dbraw/zinc/70/67/09/992706709.db2.gz YNYKGTBSJMOARU-QGZVFWFLSA-N -1 0 312.344 3.565 20 0 DHADRM CN(Cc1ccoc1C(=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC001598532385 992798683 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ZINC001599584841 993598477 /nfs/dbraw/zinc/59/84/77/993598477.db2.gz SYOIDROKOMDAAV-UHFFFAOYSA-N -1 0 321.373 3.867 20 0 DHADRM COc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597392 993766687 /nfs/dbraw/zinc/76/66/87/993766687.db2.gz MBMJRVVXTHVUIL-KBPBESRZSA-N -1 0 321.417 3.929 20 0 DHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC001593141296 993927761 /nfs/dbraw/zinc/92/77/61/993927761.db2.gz DVNCHZOEVNDFDM-QEJZJMRPSA-N -1 0 315.413 3.632 20 0 DHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593184106 994086208 /nfs/dbraw/zinc/08/62/08/994086208.db2.gz YDDYTQLRBFQXEP-SNVBAGLBSA-N -1 0 315.394 3.815 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccccc1 ZINC001593190894 994128850 /nfs/dbraw/zinc/12/88/50/994128850.db2.gz YAVWQWCXJWRIAC-ZUZCIYMTSA-N -1 0 307.752 3.956 20 0 DHADRM C[C@H](N[C@@H](C(=O)[O-])c1cccs1)c1nccc2ccccc21 ZINC001593194337 994133588 /nfs/dbraw/zinc/13/35/88/994133588.db2.gz FQTPTWVAWFYWIG-MEDUHNTESA-N -1 0 312.394 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ZINC000162593411 1022993741 /nfs/dbraw/zinc/99/37/41/1022993741.db2.gz WFOILFBNVBUPAF-UHFFFAOYSA-N -1 0 309.353 3.688 20 0 DHADRM CCc1nc(=NCc2nc(-c3ccccc3)c(C)s2)s[n-]1 ZINC000364291255 1022990517 /nfs/dbraw/zinc/99/05/17/1022990517.db2.gz OYIFFKKDPUSXSG-UHFFFAOYSA-N -1 0 316.455 3.566 20 0 DHADRM Cc1cc(Nc2cnc3c(C4CCC4)cnn3c2)ccc1C(=O)[O-] ZINC001211655454 1023003532 /nfs/dbraw/zinc/00/35/32/1023003532.db2.gz YOMLSBFEXCEGNA-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000857470162 1023014495 /nfs/dbraw/zinc/01/44/95/1023014495.db2.gz DZLZMEKXKNEMIX-UHFFFAOYSA-N -1 0 310.806 3.902 20 0 DHADRM Cc1cc(OCC(=O)[N-]OC2CCCCC2)ccc1C(C)C ZINC000857493345 1023021212 /nfs/dbraw/zinc/02/12/12/1023021212.db2.gz WVIGIRMSJZBJBE-UHFFFAOYSA-N -1 0 305.418 3.878 20 0 DHADRM Cc1oc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2c1C ZINC000263580385 1023023547 /nfs/dbraw/zinc/02/35/47/1023023547.db2.gz VXCKHKJWOOETQB-STQMWFEESA-N -1 0 315.369 3.879 20 0 DHADRM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984986 1023065082 /nfs/dbraw/zinc/06/50/82/1023065082.db2.gz TXSJINYORYUDIK-LBPRGKRZSA-N -1 0 311.706 3.754 20 0 DHADRM CCc1sc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000069475793 1023078369 /nfs/dbraw/zinc/07/83/69/1023078369.db2.gz YWCFYVCBEDCSKH-UHFFFAOYSA-N -1 0 323.439 3.621 20 0 DHADRM O=C(Nc1c(F)cccc1F)c1cnc([C@H]2CCCO2)s1 ZINC000089718703 1023098689 /nfs/dbraw/zinc/09/86/89/1023098689.db2.gz JOXULZNUWGHJEY-SNVBAGLBSA-N -1 0 310.325 3.525 20 0 DHADRM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1F ZINC000769244691 1023107444 /nfs/dbraw/zinc/10/74/44/1023107444.db2.gz PZJKRDVRMRMKLA-VIFPVBQESA-N -1 0 316.357 3.998 20 0 DHADRM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])c1ccc(F)cc1 ZINC000622318417 1023113411 /nfs/dbraw/zinc/11/34/11/1023113411.db2.gz NLBXBZSGCSIELB-UHFFFAOYSA-N -1 0 313.250 3.827 20 0 DHADRM COC(=O)c1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211657679 1023132190 /nfs/dbraw/zinc/13/21/90/1023132190.db2.gz 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COC(=O)C(C)(C)c1ccc(NCc2ccc(O)c(F)c2)cc1 ZINC000893430490 1023510019 /nfs/dbraw/zinc/51/00/19/1023510019.db2.gz ABUJDCVZIVIZRX-UHFFFAOYSA-N -1 0 317.360 3.594 20 0 DHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCCC(F)(F)CC1 ZINC000628634927 1023534404 /nfs/dbraw/zinc/53/44/04/1023534404.db2.gz XRDRQLNAMSXGPK-UHFFFAOYSA-N -1 0 323.261 3.672 20 0 DHADRM CCCCN(CC)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236726261 1023581650 /nfs/dbraw/zinc/58/16/50/1023581650.db2.gz UOZUKXGGCDARMF-LBPRGKRZSA-N -1 0 309.431 3.514 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000236729763 1023627744 /nfs/dbraw/zinc/62/77/44/1023627744.db2.gz QIFSEAQTCVUFBB-KRWDZBQOSA-N -1 0 309.381 3.678 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000236732646 1023635665 /nfs/dbraw/zinc/63/56/65/1023635665.db2.gz ZCNKUQPXXWPFAY-INIZCTEOSA-N -1 0 311.809 3.884 20 0 DHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nc(-c2ccccc2F)cs1 ZINC000662892991 1023649586 /nfs/dbraw/zinc/64/95/86/1023649586.db2.gz HOOAQDNWKSYSBM-GHMZBOCLSA-N -1 0 320.389 3.639 20 0 DHADRM O=C1COc2cc(-c3cc(Cl)c([O-])c(Cl)c3)ccc2N1 ZINC001242854114 1023690369 /nfs/dbraw/zinc/69/03/69/1023690369.db2.gz QLBKWSAVIVRMJB-UHFFFAOYSA-N -1 0 310.136 3.697 20 0 DHADRM CSc1nc2ccnc(-c3ccccc3C(=O)[O-])c2s1 ZINC001242877485 1023717569 /nfs/dbraw/zinc/71/75/69/1023717569.db2.gz HTPXUTSLGJFWLM-UHFFFAOYSA-N -1 0 302.380 3.778 20 0 DHADRM O=C(NCc1cccc2cc[nH]c21)c1ccc2[n-]c(=S)oc2c1 ZINC000787368386 1023788161 /nfs/dbraw/zinc/78/81/61/1023788161.db2.gz UKOJORVKGAPKLB-UHFFFAOYSA-N -1 0 323.377 3.528 20 0 DHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000787496782 1023797910 /nfs/dbraw/zinc/79/79/10/1023797910.db2.gz BVIHOMVNIRGJCN-SNVBAGLBSA-N -1 0 321.726 3.849 20 0 DHADRM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1F ZINC000048652633 1023801188 /nfs/dbraw/zinc/80/11/88/1023801188.db2.gz BLKRDCHRAHZIDH-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)c2ccccc21 ZINC000663053855 1023802336 /nfs/dbraw/zinc/80/23/36/1023802336.db2.gz GCVKCRNQSGGSAR-HNNXBMFYSA-N -1 0 313.397 3.562 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)c2ccccc21 ZINC000663053856 1023802696 /nfs/dbraw/zinc/80/26/96/1023802696.db2.gz GCVKCRNQSGGSAR-OAHLLOKOSA-N -1 0 313.397 3.562 20 0 DHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000048655630 1023802999 /nfs/dbraw/zinc/80/29/99/1023802999.db2.gz ZRZFQGIUKFVYCB-UHFFFAOYSA-N -1 0 311.428 3.646 20 0 DHADRM COc1cc(C)cc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000787662733 1023809120 /nfs/dbraw/zinc/80/91/20/1023809120.db2.gz WBBRYZASIJUKOS-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM Cc1cc2cc(NC(=O)C3(C(=O)[O-])CCCCCC3)ccc2[nH]1 ZINC000663078573 1023823374 /nfs/dbraw/zinc/82/33/74/1023823374.db2.gz ZEGZOWFLKPWQOE-UHFFFAOYSA-N -1 0 314.385 3.840 20 0 DHADRM Cn1ccc2c1cccc2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663086287 1023829381 /nfs/dbraw/zinc/82/93/81/1023829381.db2.gz MHKNUPACYURKFS-UHFFFAOYSA-N -1 0 314.385 3.542 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236769889 1023860087 /nfs/dbraw/zinc/86/00/87/1023860087.db2.gz OTZQUAXXQDGMNV-JLHYYAGUSA-N -1 0 323.392 3.992 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc2c1ccn2C(F)F ZINC000663124978 1023860442 /nfs/dbraw/zinc/86/04/42/1023860442.db2.gz HSKDHLJPRDFJSA-UHFFFAOYSA-N -1 0 324.327 3.866 20 0 DHADRM CCCCCC[C@](C)(NC(=O)Nc1ccccc1C)C(=O)[O-] ZINC000788318826 1023873704 /nfs/dbraw/zinc/87/37/04/1023873704.db2.gz RGTWTTPZFYVITK-KRWDZBQOSA-N -1 0 306.406 3.930 20 0 DHADRM CCCCCC[C@](C)(NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000788315487 1023873762 /nfs/dbraw/zinc/87/37/62/1023873762.db2.gz VHSLFVAVXVYSKR-KRWDZBQOSA-N -1 0 322.405 3.630 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@]2(C)CCCC[C@H]2C)c1C(=O)[O-] ZINC000308423496 1023946392 /nfs/dbraw/zinc/94/63/92/1023946392.db2.gz RUDNRWMQWHJNKX-FZKQIMNGSA-N -1 0 303.402 3.700 20 0 DHADRM C[C@@H](CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000663229921 1023947477 /nfs/dbraw/zinc/94/74/77/1023947477.db2.gz SWHWDTRNTIEPFH-WMLDXEAASA-N -1 0 317.429 3.578 20 0 DHADRM COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)cc(Cl)c1[O-] ZINC000060422176 1023985245 /nfs/dbraw/zinc/98/52/45/1023985245.db2.gz MWYDTQMHRVBHBC-WZUFQYTHSA-N -1 0 307.777 3.966 20 0 DHADRM CCN(Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000662217036 1023987337 /nfs/dbraw/zinc/98/73/37/1023987337.db2.gz SGVBVUJDPLSPIG-JTQLQIEISA-N -1 0 324.833 3.759 20 0 DHADRM CCCC(CCC)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653329411 1024116581 /nfs/dbraw/zinc/11/65/81/1024116581.db2.gz VZEOSSDWKKGXFQ-HZPDHXFCSA-N -1 0 303.402 3.632 20 0 DHADRM Cc1cc(NCc2ccccc2-c2cccnc2)cnc1C(=O)[O-] ZINC001170115652 1024151710 /nfs/dbraw/zinc/15/17/10/1024151710.db2.gz YLAZVOTXNACBMW-UHFFFAOYSA-N -1 0 319.364 3.762 20 0 DHADRM CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000659195915 1024237379 /nfs/dbraw/zinc/23/73/79/1024237379.db2.gz ZQZGLHZCUPKNFD-HRCADAONSA-N -1 0 321.461 3.839 20 0 DHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2cccc(=O)[nH]2)cc1 ZINC001212793142 1024315825 /nfs/dbraw/zinc/31/58/25/1024315825.db2.gz IDYLCFXAEYNLMB-OAHLLOKOSA-N -1 0 300.358 3.745 20 0 DHADRM C[C@H](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000746923017 1024330125 /nfs/dbraw/zinc/33/01/25/1024330125.db2.gz WOTJUSSSZCVXFP-JTQLQIEISA-N -1 0 313.275 3.650 20 0 DHADRM Cn1c(C(=O)Nc2cccc(Cl)c2[O-])cc2ccccc21 ZINC000604266448 1024417356 /nfs/dbraw/zinc/41/73/56/1024417356.db2.gz JMNQAGCKPZRJQK-UHFFFAOYSA-N -1 0 300.745 3.790 20 0 DHADRM CCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000027563347 1024427814 /nfs/dbraw/zinc/42/78/14/1024427814.db2.gz OQUZJUYAJABFDF-QGZVFWFLSA-N -1 0 311.381 3.585 20 0 DHADRM O=C(OCCOC1CCCCCC1)c1c(F)cc([O-])cc1F ZINC000746984770 1024445325 /nfs/dbraw/zinc/44/53/25/1024445325.db2.gz HDBYFJNSJLESAO-UHFFFAOYSA-N -1 0 314.328 3.567 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000532259455 1024588711 /nfs/dbraw/zinc/58/87/11/1024588711.db2.gz WQVZNZSPGGIBGR-QJPTWQEYSA-N -1 0 307.415 3.535 20 0 DHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000532259448 1024589404 /nfs/dbraw/zinc/58/94/04/1024589404.db2.gz WQVZNZSPGGIBGR-GRYCIOLGSA-N -1 0 307.415 3.535 20 0 DHADRM CCOc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000024150833 1024597775 /nfs/dbraw/zinc/59/77/75/1024597775.db2.gz MSXACMZAZVKUEF-UHFFFAOYSA-N -1 0 319.401 3.839 20 0 DHADRM O=C(NCC1CCCCCCC1)c1s[n-]c(=O)c1Cl ZINC000283150177 1024602706 /nfs/dbraw/zinc/60/27/06/1024602706.db2.gz VWTBZRWTPKTYQD-UHFFFAOYSA-N -1 0 302.827 3.592 20 0 DHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000317874413 1024635956 /nfs/dbraw/zinc/63/59/56/1024635956.db2.gz NDPSJFBQBNJNKI-WFASDCNBSA-N -1 0 304.390 3.527 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000318553295 1024652444 /nfs/dbraw/zinc/65/24/44/1024652444.db2.gz YOTKXADYESGAHE-UHFFFAOYSA-N -1 0 323.820 3.803 20 0 DHADRM Cc1cc(Cl)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1C ZINC000666107663 1024700882 /nfs/dbraw/zinc/70/08/82/1024700882.db2.gz TWKNEFDKEDHVQN-RYUDHWBXSA-N -1 0 307.777 3.562 20 0 DHADRM CN(C(=O)c1c([O-])cccc1Cl)c1ccc2cc[nH]c2c1 ZINC000792573868 1024714665 /nfs/dbraw/zinc/71/46/65/1024714665.db2.gz QWTDXTFKXGIHBD-UHFFFAOYSA-N -1 0 300.745 3.804 20 0 DHADRM CC(C)(C)C(=O)N1CCC(CNc2cc(F)ccc2[S-])CC1 ZINC001170354309 1024750210 /nfs/dbraw/zinc/75/02/10/1024750210.db2.gz VLDMDKMZVCJYAD-UHFFFAOYSA-N -1 0 324.465 3.811 20 0 DHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000326115824 1024751567 /nfs/dbraw/zinc/75/15/67/1024751567.db2.gz BXOGSRRMFCEFNQ-KMFMINBZSA-N -1 0 324.380 3.557 20 0 DHADRM CCC(CC)(CC(=O)Nc1ccccc1N1CCCC1)C(=O)[O-] ZINC000390941511 1024758650 /nfs/dbraw/zinc/75/86/50/1024758650.db2.gz MULICCJZSAOOAN-UHFFFAOYSA-N -1 0 318.417 3.506 20 0 DHADRM O=C(Nc1cc(F)ccc1F)Nc1c([O-])cc(F)cc1F ZINC001202654259 1024772757 /nfs/dbraw/zinc/77/27/57/1024772757.db2.gz APVRGMIAUGAJNC-UHFFFAOYSA-N -1 0 300.211 3.593 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC000263122326 1024778627 /nfs/dbraw/zinc/77/86/27/1024778627.db2.gz FIKCYZXLZJIPOA-HAQNSBGRSA-N -1 0 309.431 3.525 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000897418733 1024790446 /nfs/dbraw/zinc/79/04/46/1024790446.db2.gz OVXFBVDFSQEKSI-RSMPGPOFSA-N -1 0 315.797 3.797 20 0 DHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccccc2SC)s[n-]1 ZINC000337935625 1033234382 /nfs/dbraw/zinc/23/43/82/1033234382.db2.gz KIFCIUJISHIJCJ-UWVGGRQHSA-N -1 0 309.460 3.562 20 0 DHADRM CC(C)C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319825864 1024806685 /nfs/dbraw/zinc/80/66/85/1024806685.db2.gz CRGLTSADJJIMEE-JTQLQIEISA-N -1 0 316.304 3.691 20 0 DHADRM O=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1[O-] ZINC000021053369 1024850118 /nfs/dbraw/zinc/85/01/18/1024850118.db2.gz PAFMDPUOJTYMHY-UHFFFAOYSA-N -1 0 304.758 3.908 20 0 DHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000054422439 1024850840 /nfs/dbraw/zinc/85/08/40/1024850840.db2.gz KJHRGYONGHRQSR-OWBHPGMISA-N -1 0 315.394 3.744 20 0 DHADRM 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C[C@H]1C[C@@H]1c1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)o1 ZINC000577878417 1027970871 /nfs/dbraw/zinc/97/08/71/1027970871.db2.gz HZGWIPZIUXQDJW-NHYWBVRUSA-N -1 0 315.369 3.859 20 0 DHADRM CC1=CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000563279832 1027975938 /nfs/dbraw/zinc/97/59/38/1027975938.db2.gz FOLSOSFFJORGDN-CYBMUJFWSA-N -1 0 300.185 3.771 20 0 DHADRM Cc1oc([C@H](C)N2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076508 1028040062 /nfs/dbraw/zinc/04/00/62/1028040062.db2.gz LHHAXJZCWBTYIE-NSHDSACASA-N -1 0 324.380 3.887 20 0 DHADRM O=C([O-])[C@H]1CCN(Cc2ccccc2OC2CC2)c2ccccc21 ZINC000563450365 1028051678 /nfs/dbraw/zinc/05/16/78/1028051678.db2.gz GUTMFGWYJARIFD-KRWDZBQOSA-N -1 0 323.392 3.806 20 0 DHADRM CCc1oc(C(=O)Nc2ccc(CC)c(CC)c2)cc1C(=O)[O-] ZINC000578209310 1028092169 /nfs/dbraw/zinc/09/21/69/1028092169.db2.gz UYQALKDNACFFAN-UHFFFAOYSA-N -1 0 315.369 3.917 20 0 DHADRM C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(O)c(F)c1)C1CC1 ZINC000448818553 1028102615 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C[C@@H](Cc1ccc(NCc2cnc(C3CC3)s2)cc1)C(=O)[O-] ZINC000579452030 1028414970 /nfs/dbraw/zinc/41/49/70/1028414970.db2.gz IIENLDQVLTVLEB-NSHDSACASA-N -1 0 316.426 3.896 20 0 DHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CCO1 ZINC000935972962 1028434877 /nfs/dbraw/zinc/43/48/77/1028434877.db2.gz JSUFDSJXNKHEPC-XPTSAGLGSA-N -1 0 315.772 3.574 20 0 DHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000075025200 1028491784 /nfs/dbraw/zinc/49/17/84/1028491784.db2.gz QNBREFABRKKPCD-UHFFFAOYSA-N -1 0 303.811 3.812 20 0 DHADRM COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)cc1 ZINC000188715268 1028525995 /nfs/dbraw/zinc/52/59/95/1028525995.db2.gz MIWOVTNNENWQKS-JXMROGBWSA-N -1 0 316.740 3.943 20 0 DHADRM COc1ccc(-c2cc(C)c(SCC(=O)[O-])cc2C)cn1 ZINC000565239772 1028563474 /nfs/dbraw/zinc/56/34/74/1028563474.db2.gz ZWOKNFDATGRQGR-UHFFFAOYSA-N -1 0 303.383 3.551 20 0 DHADRM O=C([O-])[C@H]1C[C@]12CCc1cc(-c3cnc4occc4c3)ccc12 ZINC000565238124 1028564483 /nfs/dbraw/zinc/56/44/83/1028564483.db2.gz 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/nfs/dbraw/zinc/85/61/86/1028856186.db2.gz CNROYSZISMBVKM-UHFFFAOYSA-N -1 0 309.165 3.770 20 0 DHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000567274459 1028867129 /nfs/dbraw/zinc/86/71/29/1028867129.db2.gz WMMDMAHHANLBQV-QTPCEWDRSA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])c1cccc2oc(/C=C\c3cccnc3Cl)nc21 ZINC000752873954 1028930895 /nfs/dbraw/zinc/93/08/95/1028930895.db2.gz BTVDTOGGIMREAG-SREVYHEPSA-N -1 0 300.701 3.745 20 0 DHADRM C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)[C@H]1C1CC1 ZINC000528937936 1028936756 /nfs/dbraw/zinc/93/67/56/1028936756.db2.gz KWSMIPXOYQCBMP-GHGOGRRBSA-N -1 0 300.185 3.930 20 0 DHADRM CCC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C1CCCC1 ZINC000567701203 1028943249 /nfs/dbraw/zinc/94/32/49/1028943249.db2.gz JKIXKJVPTNQFRW-SECBINFHSA-N -1 0 302.827 3.591 20 0 DHADRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccc(Cl)cc1 ZINC000042320187 1028962324 /nfs/dbraw/zinc/96/23/24/1028962324.db2.gz DMVQGWVZLRAFNW-ZHACJKMWSA-N -1 0 321.785 3.645 20 0 DHADRM 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Cn1cnc2ccc(-c3ccc(OCCCCC(=O)[O-])cc3)cc21 ZINC000570060094 1029308640 /nfs/dbraw/zinc/30/86/40/1029308640.db2.gz FVGZETXQRMUSQN-UHFFFAOYSA-N -1 0 324.380 3.874 20 0 DHADRM CC(C)(CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC000570314409 1029351167 /nfs/dbraw/zinc/35/11/67/1029351167.db2.gz BSXPJYWHMDJSKQ-INIZCTEOSA-N -1 0 303.402 3.535 20 0 DHADRM CCc1noc(C)c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000120844880 1029405957 /nfs/dbraw/zinc/40/59/57/1029405957.db2.gz SPUTXIVTKTWYEN-UHFFFAOYSA-N -1 0 300.692 3.729 20 0 DHADRM CC(C)c1cccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CC(=O)N3)c1 ZINC000570698134 1029407978 /nfs/dbraw/zinc/40/79/78/1029407978.db2.gz FFAIGBGDWQEBQX-INIZCTEOSA-N -1 0 309.365 3.987 20 0 DHADRM CC[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccncc1 ZINC000570705171 1029408811 /nfs/dbraw/zinc/40/88/11/1029408811.db2.gz IADAUIFLTNZLLY-CQSZACIVSA-N -1 0 302.447 3.966 20 0 DHADRM CCCc1ccccc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000320833769 1029419704 /nfs/dbraw/zinc/41/97/04/1029419704.db2.gz 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ZINC000820967141 1029794263 /nfs/dbraw/zinc/79/42/63/1029794263.db2.gz SKKGHLRIJSYDCQ-GWCFXTLKSA-N -1 0 304.415 3.767 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(F)c1 ZINC000451101401 1029795825 /nfs/dbraw/zinc/79/58/25/1029795825.db2.gz CNZASTKLDNLRGN-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM O=C(CC1CCC(=O)CC1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000530455021 1029855468 /nfs/dbraw/zinc/85/54/68/1029855468.db2.gz DOAKZRKDHSVKFQ-UHFFFAOYSA-N -1 0 316.184 3.787 20 0 DHADRM CC[C@H](C)CO[N-]C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000794849410 1029903269 /nfs/dbraw/zinc/90/32/69/1029903269.db2.gz GNCCDOHMBGLGGJ-LBPRGKRZSA-N -1 0 318.442 3.755 20 0 DHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000357163009 1029922944 /nfs/dbraw/zinc/92/29/44/1029922944.db2.gz BCHVBHRRWJAPJK-UHFFFAOYSA-N -1 0 321.417 3.750 20 0 DHADRM CC[C@@H](C)CO[N-]C(=O)CSCc1cccc(Cl)c1 ZINC000794853794 1029945298 /nfs/dbraw/zinc/94/52/98/1029945298.db2.gz PPRUMXMMPUUTIB-LLVKDONJSA-N -1 0 301.839 3.667 20 0 DHADRM 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/nfs/dbraw/zinc/30/31/34/1034303134.db2.gz MOIKZRQXIZVGSQ-MRXNPFEDSA-N -1 0 303.402 3.597 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)C=C(C1CC1)C1CC1)C(=O)[O-] ZINC000777372743 1034348167 /nfs/dbraw/zinc/34/81/67/1034348167.db2.gz YBTHRGDARFMGTA-GOSISDBHSA-N -1 0 307.434 3.663 20 0 DHADRM [S-]c1cc(Br)ccc1Nc1ccc2ncnn2c1 ZINC001174375623 1034348381 /nfs/dbraw/zinc/34/83/81/1034348381.db2.gz ITXOHHUVRBGHEU-UHFFFAOYSA-N -1 0 321.203 3.524 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1ccc(OC)cc1C)C(=O)[O-] ZINC000777372663 1034349266 /nfs/dbraw/zinc/34/92/66/1034349266.db2.gz WLGSLCYKLQHDKF-GOSISDBHSA-N -1 0 321.417 3.547 20 0 DHADRM CCC[C@@H](C)C[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864509380 1034368878 /nfs/dbraw/zinc/36/88/78/1034368878.db2.gz JIWWQAGSWWTQJI-VXGBXAGGSA-N -1 0 312.479 3.810 20 0 DHADRM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ncc(Cl)s1 ZINC000864528512 1034376306 /nfs/dbraw/zinc/37/63/06/1034376306.db2.gz QQMRITAEMLVZNR-LBPRGKRZSA-N -1 0 324.833 3.665 20 0 DHADRM [S-]c1ccccc1Nc1ccc(CN2CCOCC2)cc1 ZINC001174446311 1034390494 /nfs/dbraw/zinc/39/04/94/1034390494.db2.gz JPAYYPNQMYLWDN-UHFFFAOYSA-N -1 0 300.427 3.551 20 0 DHADRM O=C([O-])[C@H]1CCOc2ccc(-c3ccc(C4(O)CCC4)cc3)cc21 ZINC000864611861 1034397089 /nfs/dbraw/zinc/39/70/89/1034397089.db2.gz GYHDPWODBNCNNE-INIZCTEOSA-N -1 0 324.376 3.676 20 0 DHADRM COc1cc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1 ZINC001174496493 1034413017 /nfs/dbraw/zinc/41/30/17/1034413017.db2.gz NXQQSYAKHMKZEP-AATRIKPKSA-N -1 0 305.280 3.815 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cn3c(cccc3Cl)n2)c1 ZINC001174495077 1034413229 /nfs/dbraw/zinc/41/32/29/1034413229.db2.gz JUHRFVPEZAARIU-BQYQJAHWSA-N -1 0 313.744 3.829 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2ccnc(C(F)(F)F)c2)c1 ZINC001174494776 1034413357 /nfs/dbraw/zinc/41/33/57/1034413357.db2.gz GPXZVDLKPHEFLE-SNAWJCMRSA-N -1 0 308.259 3.942 20 0 DHADRM O=C([O-])/C=C/c1cccc(Nc2cnccc2C(F)(F)F)c1 ZINC001174495418 1034413571 /nfs/dbraw/zinc/41/35/71/1034413571.db2.gz QOVZRPDHQLSJRQ-SNAWJCMRSA-N -1 0 308.259 3.942 20 0 DHADRM COc1c(F)c(F)ccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497510 1034415410 /nfs/dbraw/zinc/41/54/10/1034415410.db2.gz VZUOTIVTRYKGSZ-VMPITWQZSA-N -1 0 305.280 3.815 20 0 DHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]2CCCC[C@@H]21 ZINC000184923216 1034513638 /nfs/dbraw/zinc/51/36/38/1034513638.db2.gz HIASHURUZQUCNC-SKDRFNHKSA-N -1 0 313.319 3.604 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nn1-c1ccccc1 ZINC001174671214 1034540187 /nfs/dbraw/zinc/54/01/87/1034540187.db2.gz SNZHBHYXYQBVLT-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(Cl)cc1Cl ZINC001174674398 1034541269 /nfs/dbraw/zinc/54/12/69/1034541269.db2.gz XHYXYCPMLOQSIC-UHFFFAOYSA-N -1 0 313.140 3.839 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1ccc(C)cc1 ZINC001174675382 1034543257 /nfs/dbraw/zinc/54/32/57/1034543257.db2.gz ZKNITFMVECRXCC-UHFFFAOYSA-N -1 0 323.352 3.631 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1c(F)c(F)cc(F)c1F ZINC001174677344 1034544923 /nfs/dbraw/zinc/54/49/23/1034544923.db2.gz IZLYMZUUYUVRER-UHFFFAOYSA-N -1 0 315.222 3.693 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2ccc(O)cc2c1 ZINC001174678161 1034545532 /nfs/dbraw/zinc/54/55/32/1034545532.db2.gz YNJJXFDEUTWOCI-UHFFFAOYSA-N -1 0 309.321 3.996 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1OC(F)F ZINC001174677796 1034545888 /nfs/dbraw/zinc/54/58/88/1034545888.db2.gz QDPKDFALJASOBN-UHFFFAOYSA-N -1 0 309.268 3.738 20 0 DHADRM COc1cc(Nc2cccc3cncc(C)c32)ccc1C(=O)[O-] ZINC001174687532 1034549393 /nfs/dbraw/zinc/54/93/93/1034549393.db2.gz XEEHKAPEFKDJNH-UHFFFAOYSA-N -1 0 308.337 3.994 20 0 DHADRM COc1cc(Nc2ccc(SC)cc2F)ccc1C(=O)[O-] ZINC001174687901 1034549477 /nfs/dbraw/zinc/54/94/77/1034549477.db2.gz KHJKQMWURYZLJS-UHFFFAOYSA-N -1 0 307.346 3.998 20 0 DHADRM COc1cc(Nc2c(N)cc(F)cc2Cl)ccc1C(=O)[O-] ZINC001174685982 1034549782 /nfs/dbraw/zinc/54/97/82/1034549782.db2.gz FTGLMOXZLOQYRX-UHFFFAOYSA-N -1 0 310.712 3.512 20 0 DHADRM COc1cc(-n2ccc3cc(Cl)cc(N)c32)ccc1C(=O)[O-] ZINC001174688322 1034549956 /nfs/dbraw/zinc/54/99/56/1034549956.db2.gz VNFXFKWRNBCTAH-UHFFFAOYSA-N -1 0 316.744 3.573 20 0 DHADRM CCc1ccc(OC)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174686197 1034550284 /nfs/dbraw/zinc/55/02/84/1034550284.db2.gz LKCXSRRBAFDJMH-UHFFFAOYSA-N -1 0 301.342 3.708 20 0 DHADRM COc1cc(Nc2ccc(OCC3CC3)cc2)ccc1C(=O)[O-] ZINC001174686720 1034550410 /nfs/dbraw/zinc/55/04/10/1034550410.db2.gz FOPWKFFGBUTFDA-UHFFFAOYSA-N -1 0 313.353 3.926 20 0 DHADRM c1c2ccccc2sc1CCN=c1nc(C2CC2)[n-]s1 ZINC000555228955 1034571144 /nfs/dbraw/zinc/57/11/44/1034571144.db2.gz NZXJGPRBYTUTIX-UHFFFAOYSA-N -1 0 301.440 3.707 20 0 DHADRM Oc1c(Cl)cccc1Nc1ccc(N2CCOCC2)cc1 ZINC001174708395 1034572766 /nfs/dbraw/zinc/57/27/66/1034572766.db2.gz AVJOKNLTGFSLLN-UHFFFAOYSA-N -1 0 304.777 3.626 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(F)c1Cl ZINC000899351367 1034598447 /nfs/dbraw/zinc/59/84/47/1034598447.db2.gz IAWDWJKHCLREJT-VIFPVBQESA-N -1 0 320.673 3.770 20 0 DHADRM CC1(C)CCC(n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)CC1 ZINC000899358339 1034603517 /nfs/dbraw/zinc/60/35/17/1034603517.db2.gz VSDSHDGKBYZXBA-LLVKDONJSA-N -1 0 302.340 3.742 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(F)cc1Cl ZINC000899362294 1034606592 /nfs/dbraw/zinc/60/65/92/1034606592.db2.gz PHMMLKQOKDIJBY-SNVBAGLBSA-N -1 0 320.673 3.770 20 0 DHADRM CC(C)c1ccc([C@@H](C)n2[n-]c(C3CCOCC3)cc2=O)cc1 ZINC000899361501 1034606651 /nfs/dbraw/zinc/60/66/51/1034606651.db2.gz WHHJCISNOJHXMK-CQSZACIVSA-N -1 0 314.429 3.886 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)s1 ZINC001174805995 1034630250 /nfs/dbraw/zinc/63/02/50/1034630250.db2.gz MXGMQHRVKAEEJQ-UHFFFAOYSA-N -1 0 303.387 3.575 20 0 DHADRM Cc1cc(C(F)(F)F)ncc1Nc1ccc(C(=O)[O-])s1 ZINC001174805519 1034630335 /nfs/dbraw/zinc/63/03/35/1034630335.db2.gz FIXOCTFLDKNEJK-UHFFFAOYSA-N -1 0 302.277 3.912 20 0 DHADRM COc1cccc(-c2cc(Nc3ccc(C(=O)[O-])s3)on2)c1 ZINC001174805464 1034630679 /nfs/dbraw/zinc/63/06/79/1034630679.db2.gz DJSFLVOXMWXYEI-UHFFFAOYSA-N -1 0 316.338 3.854 20 0 DHADRM Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174805811 1034630934 /nfs/dbraw/zinc/63/09/34/1034630934.db2.gz ZIXNCYKBMXFDKL-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1nccc(Br)c1Nc1ccc(C(=O)[O-])s1 ZINC001174805584 1034631027 /nfs/dbraw/zinc/63/10/27/1034631027.db2.gz UHMVCXUFGMGUGV-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1cc(=O)c2ccc(Nc3ccc(C(=O)[O-])s3)cc2o1 ZINC001174806982 1034633736 /nfs/dbraw/zinc/63/37/36/1034633736.db2.gz FTSOGEXOFGTCRC-UHFFFAOYSA-N -1 0 301.323 3.605 20 0 DHADRM COc1ccc(F)c(Nc2ccc(C(=O)[O-])s2)c1Cl ZINC001174809106 1034635231 /nfs/dbraw/zinc/63/52/31/1034635231.db2.gz BVEXHLQUAPQULQ-UHFFFAOYSA-N -1 0 301.726 3.991 20 0 DHADRM O=C([O-])c1ccc(Nc2c(F)c(F)c(F)c(F)c2F)s1 ZINC001174810200 1034635407 /nfs/dbraw/zinc/63/54/07/1034635407.db2.gz KGFXYAFSCBAHQH-UHFFFAOYSA-N -1 0 309.215 3.885 20 0 DHADRM O=C([O-])c1ccc(Nc2ccccc2C(=O)C(F)(F)F)s1 ZINC001174812450 1034635628 /nfs/dbraw/zinc/63/56/28/1034635628.db2.gz JNDDBNLUJUIDFC-UHFFFAOYSA-N -1 0 315.272 3.935 20 0 DHADRM CC[C@@H](C)CO[N-]C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000794843249 1034653986 /nfs/dbraw/zinc/65/39/86/1034653986.db2.gz PSZUXOCGRHQIES-SNVBAGLBSA-N -1 0 321.364 3.891 20 0 DHADRM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186856309 1034667251 /nfs/dbraw/zinc/66/72/51/1034667251.db2.gz FMSFUBRAZNRNRS-GFCCVEGCSA-N -1 0 323.261 3.521 20 0 DHADRM CCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(C)C ZINC000555414747 1034687781 /nfs/dbraw/zinc/68/77/81/1034687781.db2.gz GVWYXWSDLCHCMY-UHFFFAOYSA-N -1 0 315.417 3.572 20 0 DHADRM Cc1cnn(-c2cccc(C)c2)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950497 1034702012 /nfs/dbraw/zinc/70/20/12/1034702012.db2.gz RARJWBFOKZOLLQ-UHFFFAOYSA-N -1 0 321.380 3.860 20 0 DHADRM O=C([O-])Cc1ccc(Nc2cc(F)c(Cl)nc2Cl)cc1 ZINC001174947872 1034702450 /nfs/dbraw/zinc/70/24/50/1034702450.db2.gz RVFOXBVKMGNOFC-UHFFFAOYSA-N -1 0 315.131 3.898 20 0 DHADRM Cc1cnn(-c2ccccc2C)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950618 1034703381 /nfs/dbraw/zinc/70/33/81/1034703381.db2.gz UJDYQGNGXXEVIE-UHFFFAOYSA-N -1 0 321.380 3.860 20 0 DHADRM COc1ccc(Nc2ccc(CC(=O)[O-])cc2)c2ncccc12 ZINC001174953479 1034705506 /nfs/dbraw/zinc/70/55/06/1034705506.db2.gz SOXDOQRABCMPKP-UHFFFAOYSA-N -1 0 308.337 3.614 20 0 DHADRM CCOC(=O)c1cc(C)ccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953483 1034705613 /nfs/dbraw/zinc/70/56/13/1034705613.db2.gz SSEPWGDYLXOOBP-UHFFFAOYSA-N -1 0 313.353 3.542 20 0 DHADRM CC1(C)COC(c2ccccc2Nc2ccc(CC(=O)[O-])cc2)=N1 ZINC001174956078 1034706776 /nfs/dbraw/zinc/70/67/76/1034706776.db2.gz FPGSTPPMXUFRMI-UHFFFAOYSA-N -1 0 324.380 3.613 20 0 DHADRM COc1ccc2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2n1 ZINC001174954374 1034707731 /nfs/dbraw/zinc/70/77/31/1034707731.db2.gz DJQNVNCIFVJUCA-UHFFFAOYSA-N -1 0 308.337 3.614 20 0 DHADRM CCOc1cc(F)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001175005240 1034731398 /nfs/dbraw/zinc/73/13/98/1034731398.db2.gz HMFUBHQNCONVCQ-UHFFFAOYSA-N -1 0 313.332 3.859 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(Br)cn1 ZINC001174981104 1034744998 /nfs/dbraw/zinc/74/49/98/1034744998.db2.gz FDOZALBFXQSEIM-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(-c2ccncn2)cs1 ZINC001174983427 1034745677 /nfs/dbraw/zinc/74/56/77/1034745677.db2.gz MMDXUVFKIJABAH-UHFFFAOYSA-N -1 0 311.366 3.955 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(O)cc1Br ZINC001174984712 1034745955 /nfs/dbraw/zinc/74/59/55/1034745955.db2.gz TVPJCGKGFXYTBL-UHFFFAOYSA-N -1 0 322.158 3.905 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1-c1ccccc1F ZINC001174984310 1034746049 /nfs/dbraw/zinc/74/60/49/1034746049.db2.gz YKFXZZKJKMJHBN-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM CCOC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175156991 1034818404 /nfs/dbraw/zinc/81/84/04/1034818404.db2.gz BOLCVYAIVTZIDS-UHFFFAOYSA-N -1 0 317.316 3.753 20 0 DHADRM O=C([O-])c1ccc(Nc2cnc(-c3ccccc3)cn2)cc1F ZINC001175155291 1034818522 /nfs/dbraw/zinc/81/85/22/1034818522.db2.gz PBWUHFKELBSVQI-UHFFFAOYSA-N -1 0 309.300 3.725 20 0 DHADRM CC(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 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O=C([O-])c1cc(Nc2ccc(Cl)nc2Cl)ccc1F ZINC001175215453 1034871717 /nfs/dbraw/zinc/87/17/17/1034871717.db2.gz OPQPOXDSFJKCMN-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM COC(=O)c1cc(C)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001175220868 1034872196 /nfs/dbraw/zinc/87/21/96/1034872196.db2.gz FFLJIDCNWSIEGX-UHFFFAOYSA-N -1 0 317.316 3.671 20 0 DHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)cc2snnc21 ZINC001175220797 1034872619 /nfs/dbraw/zinc/87/26/19/1034872619.db2.gz AWJXHRRSTVSQNX-UHFFFAOYSA-N -1 0 303.318 3.581 20 0 DHADRM O=C([O-])c1cc(Nc2ncccc2N2CCCCC2)ccc1F ZINC001175220060 1034873130 /nfs/dbraw/zinc/87/31/30/1034873130.db2.gz KAGHVWGGJOAKIL-UHFFFAOYSA-N -1 0 315.348 3.653 20 0 DHADRM Cc1cc2nsnc2cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175222110 1034873151 /nfs/dbraw/zinc/87/31/51/1034873151.db2.gz SKVMXBYRNVXHOL-UHFFFAOYSA-N -1 0 303.318 3.581 20 0 DHADRM O=C([O-])c1cc(Nc2cccc3ncc(F)cc32)ccc1F ZINC001175220831 1034873403 /nfs/dbraw/zinc/87/34/03/1034873403.db2.gz CFNVHNRQYKEJDX-UHFFFAOYSA-N -1 0 300.264 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COc1ccc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1F ZINC001176588962 1035291222 /nfs/dbraw/zinc/29/12/22/1035291222.db2.gz RVOAUANWBNPMCY-UHFFFAOYSA-N -1 0 319.307 3.833 20 0 DHADRM COC(=O)c1scc(C)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591376 1035292107 /nfs/dbraw/zinc/29/21/07/1035292107.db2.gz GOYHMIGTAWQUSQ-VMPITWQZSA-N -1 0 317.366 3.685 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 ZINC001176591704 1035292165 /nfs/dbraw/zinc/29/21/65/1035292165.db2.gz OEUKKYLDRXAJTG-ZZXKWVIFSA-N -1 0 308.259 3.942 20 0 DHADRM COC(=O)c1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1C ZINC001176595397 1035292665 /nfs/dbraw/zinc/29/26/65/1035292665.db2.gz NYOKERFHONSJOM-UXBLZVDNSA-N -1 0 311.337 3.623 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cccc(-n3cccn3)c2)cc1 ZINC001176595304 1035292685 /nfs/dbraw/zinc/29/26/85/1035292685.db2.gz LQHWNVPBZXAGAZ-JXMROGBWSA-N -1 0 305.337 3.714 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccnn2-c2ccccc2F)cc1 ZINC001176594046 1035292769 /nfs/dbraw/zinc/29/27/69/1035292769.db2.gz 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ZINC001176715970 1035327445 /nfs/dbraw/zinc/32/74/45/1035327445.db2.gz WCEBXPVMPRRDAQ-UHFFFAOYSA-N -1 0 322.158 3.900 20 0 DHADRM CCc1ncc(CNc2ccccc2CCCC(=O)[O-])s1 ZINC000904015055 1035339177 /nfs/dbraw/zinc/33/91/77/1035339177.db2.gz CZLHDPZOLOSNGE-UHFFFAOYSA-N -1 0 304.415 3.725 20 0 DHADRM Cc1ccc(NCc2cn(C)nc2C2CCCC2)cc1C(=O)[O-] ZINC000904007321 1035344348 /nfs/dbraw/zinc/34/43/48/1035344348.db2.gz DJCFQYHOYNDFEG-UHFFFAOYSA-N -1 0 313.401 3.696 20 0 DHADRM CCc1ncc(CNc2cccc(C(=O)[O-])c2OC(C)C)s1 ZINC000904010886 1035344828 /nfs/dbraw/zinc/34/48/28/1035344828.db2.gz RLAVWASJMZVZIM-UHFFFAOYSA-N -1 0 320.414 3.803 20 0 DHADRM CC(C)CCC[C@@H]([NH2+]Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000904039292 1035350097 /nfs/dbraw/zinc/35/00/97/1035350097.db2.gz XAQXMPGROOQLTF-CQSZACIVSA-N -1 0 301.789 3.848 20 0 DHADRM COc1ccccc1CC(C)(C)C(=O)[N-]Oc1ccccc1F ZINC001177109742 1035350542 /nfs/dbraw/zinc/35/05/42/1035350542.db2.gz OHALRZLROMAWDI-UHFFFAOYSA-N -1 0 317.360 3.513 20 0 DHADRM 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1036247687 /nfs/dbraw/zinc/24/76/87/1036247687.db2.gz LERUITUIAZVDQR-SFHVURJKSA-N -1 0 319.401 3.654 20 0 DHADRM COCC[C@@H](Cc1cccc(-c2ccc(OC)cc2)c1)C(=O)[O-] ZINC000521900376 1036288179 /nfs/dbraw/zinc/28/81/79/1036288179.db2.gz LJNFOIMAGWPNAS-KRWDZBQOSA-N -1 0 314.381 3.642 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(OC(C)(C)C)c2)oc1C(=O)[O-] ZINC000907971150 1036311968 /nfs/dbraw/zinc/31/19/68/1036311968.db2.gz QMWBYXQZPUGREP-UHFFFAOYSA-N -1 0 317.341 3.716 20 0 DHADRM CCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1[O-] ZINC000775669053 1036314699 /nfs/dbraw/zinc/31/46/99/1036314699.db2.gz CZNQKPXDMADULW-UHFFFAOYSA-N -1 0 309.715 3.850 20 0 DHADRM CC1=C(C)C[C@@](C)(C(=O)N(C)c2cccc(CC(=O)[O-])c2)CC1 ZINC000908089321 1036326602 /nfs/dbraw/zinc/32/66/02/1036326602.db2.gz BWAYCSORQDEDMU-IBGZPJMESA-N -1 0 315.413 3.803 20 0 DHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[O-])cc1 ZINC001182465047 1036342396 /nfs/dbraw/zinc/34/23/96/1036342396.db2.gz WILLQRQJABWSRC-GFCCVEGCSA-N -1 0 317.360 3.810 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)c2cccc(C3CC3)c2)CCC1 ZINC000908338202 1036385307 /nfs/dbraw/zinc/38/53/07/1036385307.db2.gz HAOWSWXGOVOWAA-UHFFFAOYSA-N -1 0 315.413 3.719 20 0 DHADRM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1OC ZINC000031619009 1036388523 /nfs/dbraw/zinc/38/85/23/1036388523.db2.gz FVFKEZBASJNIRC-AWEZNQCLSA-N -1 0 319.788 3.935 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908387146 1036394508 /nfs/dbraw/zinc/39/45/08/1036394508.db2.gz IZCSKKZIMFWLMP-UONOGXRCSA-N -1 0 317.429 3.747 20 0 DHADRM CCCC[C@@H](CCC)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000541671248 1036401940 /nfs/dbraw/zinc/40/19/40/1036401940.db2.gz OYIKBCBJSUMLEQ-SECBINFHSA-N -1 0 303.324 3.898 20 0 DHADRM O=C(C[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230871788 1036405170 /nfs/dbraw/zinc/40/51/70/1036405170.db2.gz LKJWJTCIKSFGFQ-VIFPVBQESA-N -1 0 304.173 3.597 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000761948997 1036413002 /nfs/dbraw/zinc/41/30/02/1036413002.db2.gz 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312.454 3.633 20 0 DHADRM O=C([O-])CCCCCNC(=O)N1CCCC2(CCCCC2)CC1 ZINC000414630905 334048132 /nfs/dbraw/zinc/04/81/32/334048132.db2.gz VDBHNDDSZJFIMV-UHFFFAOYSA-N -1 0 324.465 3.777 20 0 DHADRM Cc1ccccc1[C@@H](NC(=O)N(C)CCCC(=O)[O-])C(C)(C)C ZINC000414632429 334048298 /nfs/dbraw/zinc/04/82/98/334048298.db2.gz SEUNNBSSURCSNM-MRXNPFEDSA-N -1 0 320.433 3.588 20 0 DHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283016512 334138713 /nfs/dbraw/zinc/13/87/13/334138713.db2.gz JNZZDNPXGCUAOO-BDAKNGLRSA-N -1 0 302.827 3.591 20 0 DHADRM Cc1cscc1N=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000439124690 334158161 /nfs/dbraw/zinc/15/81/61/334158161.db2.gz QFMULICSJSFESV-UHFFFAOYSA-N -1 0 316.411 3.641 20 0 DHADRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1F ZINC000048652590 334291049 /nfs/dbraw/zinc/29/10/49/334291049.db2.gz QIRBQIHNGLPIBG-UHFFFAOYSA-N -1 0 313.781 3.897 20 0 DHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000048655796 334293804 /nfs/dbraw/zinc/29/38/04/334293804.db2.gz 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CCC(CC)n1nccc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000346005276 335369118 /nfs/dbraw/zinc/36/91/18/335369118.db2.gz ZNGVOVGWDADDCP-UHFFFAOYSA-N -1 0 315.373 3.503 20 0 DHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000348500076 335593034 /nfs/dbraw/zinc/59/30/34/335593034.db2.gz WQBFLSVKKPQILX-CYBMUJFWSA-N -1 0 321.298 3.535 20 0 DHADRM c1ccc2sc(CN=c3nc(C4CCCC4)[n-]s3)nc2c1 ZINC000582174589 335717056 /nfs/dbraw/zinc/71/70/56/335717056.db2.gz LNJNJARQAXKGQI-UHFFFAOYSA-N -1 0 316.455 3.839 20 0 DHADRM CCc1ccc([C@H](NC(=O)CC2(C(=O)[O-])CCC2)C(C)C)cc1 ZINC000323985217 335745411 /nfs/dbraw/zinc/74/54/11/335745411.db2.gz KNLRROCYYHSJIC-QGZVFWFLSA-N -1 0 317.429 3.707 20 0 DHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000519777895 335894329 /nfs/dbraw/zinc/89/43/29/335894329.db2.gz PVLYJOXJSICWAO-RJYAGPCLSA-N -1 0 319.445 3.616 20 0 DHADRM O=S(=O)(Nc1cc(Cl)c(Cl)cc1F)c1ccoc1 ZINC000350971528 336001759 /nfs/dbraw/zinc/00/17/59/336001759.db2.gz MTKTUEMZLQDEMV-UHFFFAOYSA-N -1 0 310.133 3.526 20 0 DHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3sccc3c2)c2ccccc21 ZINC000395445179 336122713 /nfs/dbraw/zinc/12/27/13/336122713.db2.gz WUTCDIDSUUTSCQ-CQSZACIVSA-N -1 0 323.373 3.730 20 0 DHADRM Cc1ccc2c(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])csc2c1 ZINC000331989465 336155057 /nfs/dbraw/zinc/15/50/57/336155057.db2.gz MHWNBZZRCJLGBJ-NHYWBVRUSA-N -1 0 317.410 3.535 20 0 DHADRM CCn1nc(/C=C\c2nc(C(=O)[O-])c(C)s2)c2ccccc21 ZINC000352035926 336190962 /nfs/dbraw/zinc/19/09/62/336190962.db2.gz VBYZBQJGHNRMFG-HJWRWDBZSA-N -1 0 313.382 3.690 20 0 DHADRM CCO[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1=CCCC1 ZINC000352287413 336210349 /nfs/dbraw/zinc/21/03/49/336210349.db2.gz ZMHIJMNDMXGEAX-MRXNPFEDSA-N -1 0 317.385 3.537 20 0 DHADRM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc(O)ccc1Cl ZINC000352337022 336213002 /nfs/dbraw/zinc/21/30/02/336213002.db2.gz CLOUIQKMBNKMLB-MRXNPFEDSA-N -1 0 319.763 3.992 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000352391055 336215869 /nfs/dbraw/zinc/21/58/69/336215869.db2.gz ITUGYUITXBRMKO-CQSZACIVSA-N -1 0 315.369 3.885 20 0 DHADRM O=C(Nc1csc2ccccc12)c1cc(=O)c2ccccc2[n-]1 ZINC000352712925 336231762 /nfs/dbraw/zinc/23/17/62/336231762.db2.gz MHDDQKMAVVBNRU-UHFFFAOYSA-N -1 0 320.373 3.995 20 0 DHADRM CC[C@H](c1ccccc1)[S@](=O)C=C([O-])c1cc(C)n(C)c1C ZINC000532320074 336237856 /nfs/dbraw/zinc/23/78/56/336237856.db2.gz ZTCVERAGGLLJHP-XMSQKQJNSA-N -1 0 317.454 3.725 20 0 DHADRM CC[C@H](c1ccccc1)[S@@](=O)C=C([O-])c1cc(C)n(C)c1C ZINC000532320072 336237988 /nfs/dbraw/zinc/23/79/88/336237988.db2.gz ZTCVERAGGLLJHP-GCJKJVERSA-N -1 0 317.454 3.725 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000042373323 336239956 /nfs/dbraw/zinc/23/99/56/336239956.db2.gz OZAHBQUIQITHAO-MRVPVSSYSA-N -1 0 309.774 3.591 20 0 DHADRM Cc1cc(NC(=O)[C@H](C)Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC000532596388 336257250 /nfs/dbraw/zinc/25/72/50/336257250.db2.gz ZPJHJDJCQHUGBX-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000354985138 336490057 /nfs/dbraw/zinc/49/00/57/336490057.db2.gz RGKJDXPFXXPGKG-LLVKDONJSA-N -1 0 301.367 3.563 20 0 DHADRM CCC(CC)(CC(=O)NCc1ccc2sccc2c1)C(=O)[O-] ZINC000356984267 336568678 /nfs/dbraw/zinc/56/86/78/336568678.db2.gz RHTMYAWHICUXKP-UHFFFAOYSA-N -1 0 319.426 3.799 20 0 DHADRM Cc1cnc(C(=O)Nc2cccc(Oc3ccncc3)c2)c([O-])c1 ZINC000358656912 336638461 /nfs/dbraw/zinc/63/84/61/336638461.db2.gz ZKJCYGFWUVNFPA-UHFFFAOYSA-N -1 0 321.336 3.535 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccsc1 ZINC000362387792 336795123 /nfs/dbraw/zinc/79/51/23/336795123.db2.gz AMNMQLMBSOQZBT-QMMMGPOBSA-N -1 0 309.774 3.842 20 0 DHADRM O=C([O-])CCCNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000362442579 336797212 /nfs/dbraw/zinc/79/72/12/336797212.db2.gz VOXKOQUKZNGCCP-UHFFFAOYSA-N -1 0 317.429 3.551 20 0 DHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000362537321 336803009 /nfs/dbraw/zinc/80/30/09/336803009.db2.gz HSBNFXINPCKUNV-INMHGKMJSA-N -1 0 317.429 3.562 20 0 DHADRM Cc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1C(=O)[O-] ZINC000362774464 336811191 /nfs/dbraw/zinc/81/11/91/336811191.db2.gz PTFZCPUWNGGNPL-UHFFFAOYSA-N -1 0 320.348 3.941 20 0 DHADRM CCC(C)(C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000368886549 336854510 /nfs/dbraw/zinc/85/45/10/336854510.db2.gz CYBNDPRUYQWWTJ-UHFFFAOYSA-N -1 0 303.402 3.527 20 0 DHADRM CCC(CC)CC(=O)N1CCC(Cc2occc2C(=O)[O-])CC1 ZINC000374126388 336981808 /nfs/dbraw/zinc/98/18/08/336981808.db2.gz VOXCWQVMYVAMED-UHFFFAOYSA-N -1 0 321.417 3.585 20 0 DHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC=C(c2ccccc2)C1 ZINC000374859726 336998366 /nfs/dbraw/zinc/99/83/66/336998366.db2.gz UPRIJHHMWKZGHC-UHFFFAOYSA-N -1 0 317.747 3.724 20 0 DHADRM CC[C@@]1(C)C[C@@H]1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375352454 337008907 /nfs/dbraw/zinc/00/89/07/337008907.db2.gz KCOAKWFWUADAOJ-APWZRJJASA-N -1 0 315.413 3.527 20 0 DHADRM O=C([O-])c1ccccc1C1CC[NH+](CCC(F)(F)F)CC1 ZINC000375355922 337008944 /nfs/dbraw/zinc/00/89/44/337008944.db2.gz LRLMSEZYFZGIRT-UHFFFAOYSA-N -1 0 301.308 3.517 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC=C(c2ccco2)C1 ZINC000376028436 337025544 /nfs/dbraw/zinc/02/55/44/337025544.db2.gz HPIDACDMEVCDPY-UHFFFAOYSA-N -1 0 303.745 3.568 20 0 DHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000582531074 337105638 /nfs/dbraw/zinc/10/56/38/337105638.db2.gz NVOSGMKVXAUSAE-NNTXTVRGSA-N -1 0 316.357 3.591 20 0 DHADRM CN(Cc1sccc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000582611389 337113716 /nfs/dbraw/zinc/11/37/16/337113716.db2.gz CCALXGKOXLPJSH-CYBMUJFWSA-N -1 0 309.818 3.529 20 0 DHADRM Cc1oc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)nc1C1CC1 ZINC000582647206 337120243 /nfs/dbraw/zinc/12/02/43/337120243.db2.gz WFDWXUKPHIZWAP-UHFFFAOYSA-N -1 0 320.414 3.785 20 0 DHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000174013983 337140513 /nfs/dbraw/zinc/14/05/13/337140513.db2.gz OZYOWGGRZZBXFH-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2c(F)cccc2F)s1 ZINC000175236140 337146378 /nfs/dbraw/zinc/14/63/78/337146378.db2.gz HTACTZNSTSQDKO-QMMMGPOBSA-N -1 0 312.341 3.689 20 0 DHADRM CC(C)[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000320998684 337151678 /nfs/dbraw/zinc/15/16/78/337151678.db2.gz NHYRMDSMPPRDQW-SFHVURJKSA-N -1 0 317.429 3.925 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000179980733 337172946 /nfs/dbraw/zinc/17/29/46/337172946.db2.gz RECJDKRUYZSXRL-GJZGRUSLSA-N -1 0 323.392 3.768 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)s1 ZINC000183698161 337192978 /nfs/dbraw/zinc/19/29/78/337192978.db2.gz UPBDKEKHJGVUEQ-UHFFFAOYSA-N -1 0 302.359 3.502 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183770998 337193458 /nfs/dbraw/zinc/19/34/58/337193458.db2.gz BSTJDNJPTXYVGR-SNVBAGLBSA-N -1 0 313.309 3.523 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000582942743 337220390 /nfs/dbraw/zinc/22/03/90/337220390.db2.gz GQCVRJUVKASFIV-OAHLLOKOSA-N -1 0 318.417 3.844 20 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KKMZYPIWRSJQBC-UZLBHIALSA-N -1 0 324.376 3.659 20 0 DHADRM C/C=C/C[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000583849499 337341839 /nfs/dbraw/zinc/34/18/39/337341839.db2.gz MOPMLWBEXRZDRQ-VUDBWIFFSA-N -1 0 317.172 3.534 20 0 DHADRM COCc1cc(-c2ccccc2CCC(=O)[O-])ccc1OC ZINC000584540921 337359906 /nfs/dbraw/zinc/35/99/06/337359906.db2.gz PVGLQEBZPRHVGZ-UHFFFAOYSA-N -1 0 300.354 3.526 20 0 DHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(Br)c1[O-] ZINC000536807134 337394671 /nfs/dbraw/zinc/39/46/71/337394671.db2.gz RNXYMQFBKCXHCF-UWVGGRQHSA-N -1 0 312.207 3.558 20 0 DHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(Br)c1[O-] ZINC000536807137 337394820 /nfs/dbraw/zinc/39/48/20/337394820.db2.gz RNXYMQFBKCXHCF-ZJUUUORDSA-N -1 0 312.207 3.558 20 0 DHADRM CC(C)[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000236675036 337464195 /nfs/dbraw/zinc/46/41/95/337464195.db2.gz VRYCVJMEQZZYGW-PVARCSIZSA-N -1 0 317.429 3.576 20 0 DHADRM CCCOc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000236955306 337466651 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COC[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(F)cc1 ZINC000420606548 337508501 /nfs/dbraw/zinc/50/85/01/337508501.db2.gz YOMIUSRRQOTCNH-CQSZACIVSA-N -1 0 321.421 3.556 20 0 DHADRM O=C(Nc1cccc(-c2cnco2)c1)c1ccc([O-])c(Cl)c1 ZINC000067156075 337543489 /nfs/dbraw/zinc/54/34/89/337543489.db2.gz CIKRDFHTAHDFAU-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM CC(C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000320306894 337594954 /nfs/dbraw/zinc/59/49/54/337594954.db2.gz CBNBCBXQUUCTPL-MRXNPFEDSA-N -1 0 312.369 3.757 20 0 DHADRM COCc1cccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000255044615 337601506 /nfs/dbraw/zinc/60/15/06/337601506.db2.gz WHNUEEZPYSETEC-FPLPWBNLSA-N -1 0 312.369 3.615 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2sccc2c1 ZINC000262153708 337615534 /nfs/dbraw/zinc/61/55/34/337615534.db2.gz UGEPIBHFMUVXMY-UHFFFAOYSA-N -1 0 305.399 3.665 20 0 DHADRM CC(C)(C)CC(C)(C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262234759 337616024 /nfs/dbraw/zinc/61/60/24/337616024.db2.gz STFAZQGZOJSVIJ-UHFFFAOYSA-N -1 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CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000262993749 337622830 /nfs/dbraw/zinc/62/28/30/337622830.db2.gz OIDZMWGTDGLGDI-KZULUSFZSA-N -1 0 317.385 3.542 20 0 DHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000263005827 337622897 /nfs/dbraw/zinc/62/28/97/337622897.db2.gz XUKHOZJHJXYJKL-BRWVUGGUSA-N -1 0 321.461 3.839 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H](C)Cc1ccsc1 ZINC000263045595 337623525 /nfs/dbraw/zinc/62/35/25/337623525.db2.gz RSJGZNFYXOWBKC-SNVBAGLBSA-N -1 0 323.439 3.601 20 0 DHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000263068037 337624003 /nfs/dbraw/zinc/62/40/03/337624003.db2.gz XXWXHIILQIQSNC-RYUDHWBXSA-N -1 0 305.374 3.548 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000263099767 337624386 /nfs/dbraw/zinc/62/43/86/337624386.db2.gz TZRZUJAYQIAFJV-DOMZBBRYSA-N -1 0 321.442 3.512 20 0 DHADRM CCC(CC)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263158895 337624896 /nfs/dbraw/zinc/62/48/96/337624896.db2.gz 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ZINC000263348145 337626640 /nfs/dbraw/zinc/62/66/40/337626640.db2.gz UTUPTMDDIMMQHW-KBXCAEBGSA-N -1 0 323.392 3.711 20 0 DHADRM C[C@@H](CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000263510530 337630863 /nfs/dbraw/zinc/63/08/63/337630863.db2.gz CGALMMYKEMJURV-YOEHRIQHSA-N -1 0 323.392 3.785 20 0 DHADRM CCCn1nc(C)c(CNc2cccc(CCC(=O)[O-])c2)c1C ZINC000263523872 337631119 /nfs/dbraw/zinc/63/11/19/337631119.db2.gz SJSHBLXSRZBWFS-UHFFFAOYSA-N -1 0 315.417 3.539 20 0 DHADRM C[C@H](CCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263535337 337631453 /nfs/dbraw/zinc/63/14/53/337631453.db2.gz OHSKAKNUBSCXEC-IDHHARJASA-N -1 0 317.429 3.720 20 0 DHADRM O=C([O-])c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000191367759 337676997 /nfs/dbraw/zinc/67/69/97/337676997.db2.gz XVAOYQCMVMPEBB-UHFFFAOYSA-N -1 0 315.272 3.717 20 0 DHADRM O=C([O-])c1csc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000191372600 337677178 /nfs/dbraw/zinc/67/71/78/337677178.db2.gz YCRJRKXJCIPXHK-RYUDHWBXSA-N -1 0 321.785 3.842 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3cc(C(=O)[O-])cs3)c2n1 ZINC000191360011 337678336 /nfs/dbraw/zinc/67/83/36/337678336.db2.gz OXHNJALGYPQQIX-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc([O-])c(Cl)c1 ZINC000106920855 337824984 /nfs/dbraw/zinc/82/49/84/337824984.db2.gz ZJRQBRUJQBUOLC-CQSZACIVSA-N -1 0 305.736 3.602 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cc(SC)ccc1C)C(=O)[O-] ZINC000424379285 337828919 /nfs/dbraw/zinc/82/89/19/337828919.db2.gz ICAJUMWQWSHJJS-UHFFFAOYSA-N -1 0 324.446 3.729 20 0 DHADRM CC(C)C[C@@H](CNC(=O)Nc1csc2ccccc12)C(=O)[O-] ZINC000424384865 337829520 /nfs/dbraw/zinc/82/95/20/337829520.db2.gz SEUPORGRAZSNPF-NSHDSACASA-N -1 0 320.414 3.770 20 0 DHADRM C[C@H]1CCCN(Cc2cc(Cl)sc2Cl)[C@@H]1C(=O)[O-] ZINC000424415982 337830722 /nfs/dbraw/zinc/83/07/22/337830722.db2.gz UGVGEKSZMSAJHJ-XVKPBYJWSA-N -1 0 308.230 3.740 20 0 DHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1cccs1 ZINC000055632961 337849543 /nfs/dbraw/zinc/84/95/43/337849543.db2.gz ZAXKNAWEPBXVSO-UHFFFAOYSA-N -1 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317.429 3.950 20 0 DHADRM O=C([O-])[C@@H](NC(=O)CC1=CCCCC1)c1ccc2ccccc2c1 ZINC000431860242 338140462 /nfs/dbraw/zinc/14/04/62/338140462.db2.gz PWMBIHWPBUXMMW-IBGZPJMESA-N -1 0 323.392 3.972 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431872266 338140755 /nfs/dbraw/zinc/14/07/55/338140755.db2.gz OOOMCNSRWOZHTC-CQSZACIVSA-N -1 0 317.429 3.504 20 0 DHADRM CC[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000431877857 338140820 /nfs/dbraw/zinc/14/08/20/338140820.db2.gz MOVNJVGPJNVWAW-OAHLLOKOSA-N -1 0 317.429 3.722 20 0 DHADRM CC[C@H](CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000431979319 338143067 /nfs/dbraw/zinc/14/30/67/338143067.db2.gz CKXDPCLFHBSHRV-UKRRQHHQSA-N -1 0 305.418 3.961 20 0 DHADRM O=C([O-])CCC(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000432089725 338145309 /nfs/dbraw/zinc/14/53/09/338145309.db2.gz PMKZSCLXZWDEHI-UHFFFAOYSA-N -1 0 320.295 3.512 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000432098673 338145552 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CCOc1cc(/C=C\c2cc(C(=O)[O-])ccn2)cc(Cl)c1O ZINC000436815289 338288292 /nfs/dbraw/zinc/28/82/92/338288292.db2.gz KXDASHAUFFMJGU-ARJAWSKDSA-N -1 0 319.744 3.708 20 0 DHADRM C[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1(F)F ZINC000436821188 338288586 /nfs/dbraw/zinc/28/85/86/338288586.db2.gz VWSUAXQODLOBIZ-ZETCQYMHSA-N -1 0 324.154 3.816 20 0 DHADRM O=C(c1c(O)cccc1O)N1CCCC2(CCCCC2)CC1 ZINC000436856978 338290152 /nfs/dbraw/zinc/29/01/52/338290152.db2.gz BMSQCXFJBNLQHH-UHFFFAOYSA-N -1 0 303.402 3.674 20 0 DHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC000436860280 338290188 /nfs/dbraw/zinc/29/01/88/338290188.db2.gz NSFLMWOOHCDUIK-JTQLQIEISA-N -1 0 307.752 3.718 20 0 DHADRM O=C(N[C@@H]1CC12CCCC2)c1c([O-])cc(Cl)cc1Cl ZINC000436871832 338290961 /nfs/dbraw/zinc/29/09/61/338290961.db2.gz LJKJKJXUNFTIBE-LLVKDONJSA-N -1 0 300.185 3.762 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000436876938 338291209 /nfs/dbraw/zinc/29/12/09/338291209.db2.gz LGNXGIVQOJDPAU-UHFFFAOYSA-N -1 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Cc1ccc(C)c(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263349072 341538923 /nfs/dbraw/zinc/53/89/23/341538923.db2.gz UZIMPQIEQOZXRJ-AWEZNQCLSA-N -1 0 311.381 3.673 20 0 DHADRM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000566494766 341559967 /nfs/dbraw/zinc/55/99/67/341559967.db2.gz PFYWZDRNEQTWBI-SFHVURJKSA-N -1 0 311.381 3.622 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000566506468 341560338 /nfs/dbraw/zinc/56/03/38/341560338.db2.gz AOAHRSXJIBLUHS-LBPRGKRZSA-N -1 0 323.776 3.658 20 0 DHADRM CCOc1cc(C)ccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000155123600 341602416 /nfs/dbraw/zinc/60/24/16/341602416.db2.gz SPDYZNLCDPCKMN-UHFFFAOYSA-N -1 0 319.788 3.683 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC000567461075 341608004 /nfs/dbraw/zinc/60/80/04/341608004.db2.gz HZPGUIGDPBATSI-BHYGNILZSA-N -1 0 315.413 3.859 20 0 DHADRM C[C@H](C(=O)N(CC(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000156301109 341619482 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CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC23CCCCC3)c1 ZINC000569299366 341697138 /nfs/dbraw/zinc/69/71/38/341697138.db2.gz UBPZHXBZMKQMNI-CYBMUJFWSA-N -1 0 301.386 3.894 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(C)c(Cl)c1)C1CC1 ZINC000572677910 341700162 /nfs/dbraw/zinc/70/01/62/341700162.db2.gz RKTYBZBEEXGWSK-CYBMUJFWSA-N -1 0 310.781 3.508 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000573980614 341744950 /nfs/dbraw/zinc/74/49/50/341744950.db2.gz ATMIHUKBUAYZJC-SNVBAGLBSA-N -1 0 318.373 3.565 20 0 DHADRM Cc1ccc2oc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2c1 ZINC000336868937 341809283 /nfs/dbraw/zinc/80/92/83/341809283.db2.gz WNTXLJWOVUATOY-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1s[n-]c(=O)c1Cl ZINC000575843840 341809929 /nfs/dbraw/zinc/80/99/29/341809929.db2.gz YVEMQLKPOPRYDX-ZJUUUORDSA-N -1 0 316.854 3.838 20 0 DHADRM Cc1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)oc1C(=O)[O-] ZINC000575882002 341812746 /nfs/dbraw/zinc/81/27/46/341812746.db2.gz 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/nfs/dbraw/zinc/95/98/72/341959872.db2.gz JDIQVBJHZCOUMW-QGZVFWFLSA-N -1 0 300.354 3.850 20 0 DHADRM CC1(C)CN(C(=O)c2ccc(F)cc2[O-])C[C@H]1c1ccccc1 ZINC000124195120 517511943 /nfs/dbraw/zinc/51/19/43/517511943.db2.gz MHQPMYPCPLOKKK-INIZCTEOSA-N -1 0 313.372 3.797 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)sc1C ZINC000358562045 518187821 /nfs/dbraw/zinc/18/78/21/518187821.db2.gz BSTRABYCVVEWOH-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM CC(C)(C(=O)NCCCCCCCC(=O)[O-])c1ccccc1F ZINC000236705018 518520727 /nfs/dbraw/zinc/52/07/27/518520727.db2.gz NERBHETYUJDQLL-UHFFFAOYSA-N -1 0 323.408 3.645 20 0 DHADRM CC(C)=CCSc1ccccc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237573562 519441853 /nfs/dbraw/zinc/44/18/53/519441853.db2.gz ARDLPWAKLIXTGV-CYBMUJFWSA-N -1 0 321.442 3.538 20 0 DHADRM CC(C)Sc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000236620867 519787939 /nfs/dbraw/zinc/78/79/39/519787939.db2.gz XYXJSFNOZKMTRU-UHFFFAOYSA-N -1 0 309.431 3.562 20 0 DHADRM CC(C)[C@@H](C(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC000236645368 519789100 /nfs/dbraw/zinc/78/91/00/519789100.db2.gz UXXYJPPTGSVLNW-QGZVFWFLSA-N -1 0 305.418 3.578 20 0 DHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cn1 ZINC000157533392 519971177 /nfs/dbraw/zinc/97/11/77/519971177.db2.gz VTQMCYITFYYDQL-UHFFFAOYSA-N -1 0 321.446 3.562 20 0 DHADRM CCCCC[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236805257 520285909 /nfs/dbraw/zinc/28/59/09/520285909.db2.gz CXCRVJUTCZBXEN-CHWSQXEVSA-N -1 0 323.458 3.950 20 0 DHADRM CCCCC[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236859294 520308134 /nfs/dbraw/zinc/30/81/34/520308134.db2.gz CXCRVJUTCZBXEN-QWHCGFSZSA-N -1 0 323.458 3.950 20 0 DHADRM CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183138625 520312236 /nfs/dbraw/zinc/31/22/36/520312236.db2.gz IOIDKTKANCCSPP-JTQLQIEISA-N -1 0 301.308 3.508 20 0 DHADRM CC1(C)CN(C(=O)CCCCC(=O)[O-])c2cccc(Cl)c21 ZINC000263347218 520423795 /nfs/dbraw/zinc/42/37/95/520423795.db2.gz ZNRBVAYDMCGMRM-UHFFFAOYSA-N -1 0 309.793 3.609 20 0 DHADRM CCCC[C@H](CC)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000262870129 521162495 /nfs/dbraw/zinc/16/24/95/521162495.db2.gz MGJJQYBZTSARMA-NSHDSACASA-N -1 0 323.389 3.557 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCC1CCCCC1 ZINC000237271889 523213642 /nfs/dbraw/zinc/21/36/42/523213642.db2.gz AODQEKXGGODRDI-UHFFFAOYSA-N -1 0 303.402 3.704 20 0 DHADRM CC[C@@](C)(NC(=O)c1ccc([O-])c(Cl)c1)c1nccs1 ZINC000180049270 523654311 /nfs/dbraw/zinc/65/43/11/523654311.db2.gz NHFNELAGVZGDML-CQSZACIVSA-N -1 0 310.806 3.557 20 0 DHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000262434833 524274821 /nfs/dbraw/zinc/27/48/21/524274821.db2.gz CCEXIJWYLRNKJS-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM Cc1cc(C)cc(CCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000262804882 524376704 /nfs/dbraw/zinc/37/67/04/524376704.db2.gz SGOLCYPMITZLJO-UHFFFAOYSA-N -1 0 311.381 3.502 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000245773636 524847924 /nfs/dbraw/zinc/84/79/24/524847924.db2.gz 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/nfs/dbraw/zinc/19/85/21/526198521.db2.gz NFWUYYVFBDOSGE-UHFFFAOYSA-N -1 0 315.460 3.625 20 0 DHADRM O=C([O-])[C@@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000262381096 526271625 /nfs/dbraw/zinc/27/16/25/526271625.db2.gz HAHXVURXFXUHTA-OAHLLOKOSA-N -1 0 324.380 3.741 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000180010445 526324735 /nfs/dbraw/zinc/32/47/35/526324735.db2.gz TYZHYOUHHRNXQB-KKUMJFAQSA-N -1 0 319.401 3.614 20 0 DHADRM O=C([O-])c1cc2cc(NC(=O)C[C@@H]3C=CCC3)ccc2s1 ZINC000238208198 526357530 /nfs/dbraw/zinc/35/75/30/526357530.db2.gz WAZPWTZLAYAIJS-SNVBAGLBSA-N -1 0 301.367 3.894 20 0 DHADRM O=C([O-])c1cnc(/C=C\c2ccc(Br)s2)s1 ZINC000336678603 526402855 /nfs/dbraw/zinc/40/28/55/526402855.db2.gz AFIARUYDJAQNAU-RQOWECAXSA-N -1 0 316.201 3.836 20 0 DHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1c1cccnc1 ZINC000365800729 526616103 /nfs/dbraw/zinc/61/61/03/526616103.db2.gz XLEBTABJFGUNQL-AWEZNQCLSA-N -1 0 320.751 3.557 20 0 DHADRM Cc1scc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1C ZINC000263540062 526906348 /nfs/dbraw/zinc/90/63/48/526906348.db2.gz QKBIYRWKKNIDCY-OAHLLOKOSA-N -1 0 317.410 3.619 20 0 DHADRM O=C([O-])CCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000238169788 527581625 /nfs/dbraw/zinc/58/16/25/527581625.db2.gz WWQUPXZCMLFUPO-UHFFFAOYSA-N -1 0 323.820 3.523 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000238030458 527600797 /nfs/dbraw/zinc/60/07/97/527600797.db2.gz BKZAUCVOURNNLZ-UHFFFAOYSA-N -1 0 317.772 3.538 20 0 DHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000238056087 527601729 /nfs/dbraw/zinc/60/17/29/527601729.db2.gz DAPYUJVIAPRUHP-UHFFFAOYSA-N -1 0 323.392 3.835 20 0 DHADRM O=C(NCCCC(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC000267504024 527636048 /nfs/dbraw/zinc/63/60/48/527636048.db2.gz JQWUXGVZULSDLE-UHFFFAOYSA-N -1 0 316.106 3.771 20 0 DHADRM CC(C)CC[C@@](C)(NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000340671161 534931465 /nfs/dbraw/zinc/93/14/65/534931465.db2.gz KAJQTQSTTWJPOQ-GOSISDBHSA-N -1 0 316.401 3.711 20 0 DHADRM CC[C@@H](Sc1nnc([C@H](CC)c2ccccc2)o1)C(=O)[O-] ZINC000736928335 599743841 /nfs/dbraw/zinc/74/38/41/599743841.db2.gz GZVOXUWCDQSEOJ-VXGBXAGGSA-N -1 0 306.387 3.567 20 0 DHADRM C[C@@H](NC(=S)Nc1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000736660952 599806233 /nfs/dbraw/zinc/80/62/33/599806233.db2.gz RAGUELVWVHPXNS-SECBINFHSA-N -1 0 321.427 3.886 20 0 DHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000736300500 599808862 /nfs/dbraw/zinc/80/88/62/599808862.db2.gz ZAEHWWLDYBNFFS-UHFFFAOYSA-N -1 0 322.361 3.530 20 0 DHADRM CC(C)CN(C(=O)Nc1ccccc1CC(=O)[O-])C1CCCC1 ZINC000321554362 596959656 /nfs/dbraw/zinc/95/96/56/596959656.db2.gz WQSUTDONGFMMAN-UHFFFAOYSA-N -1 0 318.417 3.746 20 0 DHADRM CCc1ccc([C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236973152 597158612 /nfs/dbraw/zinc/15/86/12/597158612.db2.gz RVOGBJOXFAJDPE-ZDUSSCGKSA-N -1 0 311.381 3.618 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000738623962 597192942 /nfs/dbraw/zinc/19/29/42/597192942.db2.gz KUNHBRFUYNSANL-UHFFFAOYSA-N -1 0 324.380 3.515 20 0 DHADRM CC[C@@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000818285635 597195352 /nfs/dbraw/zinc/19/53/52/597195352.db2.gz GDTOVAWUSZFUSZ-CQSZACIVSA-N -1 0 306.406 3.918 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818162154 597263481 /nfs/dbraw/zinc/26/34/81/597263481.db2.gz ZDLOJIHSNMEMDC-OAHLLOKOSA-N -1 0 318.417 3.890 20 0 DHADRM C[C@H](c1ccc(F)c(F)c1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071263 597285899 /nfs/dbraw/zinc/28/58/99/597285899.db2.gz MFCOYSPUQXZEJS-STFLBKPXSA-N -1 0 324.348 3.673 20 0 DHADRM C[C@@H](c1ccc(F)c(F)c1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818071262 597286124 /nfs/dbraw/zinc/28/61/24/597286124.db2.gz MFCOYSPUQXZEJS-MLMJSJRWSA-N -1 0 324.348 3.673 20 0 DHADRM CCSc1ccccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818261760 597318613 /nfs/dbraw/zinc/31/86/13/597318613.db2.gz ZGVXCNHUXQKXNN-UHFFFAOYSA-N -1 0 315.394 3.678 20 0 DHADRM CSc1cccc(NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000315895278 597325967 /nfs/dbraw/zinc/32/59/67/597325967.db2.gz LNLVRZMPMSNGOA-UHFFFAOYSA-N -1 0 316.382 3.680 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000324479758 597327878 /nfs/dbraw/zinc/32/78/78/597327878.db2.gz CQMWAAVXMGCTTL-QGZVFWFLSA-N -1 0 324.380 3.513 20 0 DHADRM CC(C)(C)CCCCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000817797132 597332793 /nfs/dbraw/zinc/33/27/93/597332793.db2.gz KZIPQTXWBOKWNO-UHFFFAOYSA-N -1 0 306.406 3.652 20 0 DHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817797131 597336188 /nfs/dbraw/zinc/33/61/88/597336188.db2.gz KFGPTUNFXUOZMV-CQSZACIVSA-N -1 0 318.417 3.746 20 0 DHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000817858777 597337952 /nfs/dbraw/zinc/33/79/52/597337952.db2.gz ZRAJAOLWERAXBP-UKRRQHHQSA-N -1 0 318.417 3.650 20 0 DHADRM O=C([O-])c1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1 ZINC000821545169 597674310 /nfs/dbraw/zinc/67/43/10/597674310.db2.gz WCRORTFUTGZMRW-UHFFFAOYSA-N -1 0 322.364 3.575 20 0 DHADRM CC(C)C[C@@H](OC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000826815030 601142539 /nfs/dbraw/zinc/14/25/39/601142539.db2.gz WTELRBNNRJASDD-RKDXNWHRSA-N -1 0 304.795 3.548 20 0 DHADRM Cc1cc(C)cc([C@@H](C)NC(=O)NCCCCCCC(=O)[O-])c1 ZINC000738364709 599702542 /nfs/dbraw/zinc/70/25/42/599702542.db2.gz ZFQOGELWGTZUKF-OAHLLOKOSA-N -1 0 320.433 3.699 20 0 DHADRM CC[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736905451 599706237 /nfs/dbraw/zinc/70/62/37/599706237.db2.gz RYBIQDOFMXSUIZ-CYBMUJFWSA-N -1 0 312.369 3.700 20 0 DHADRM O=C([O-])c1sc(NCc2ccc(F)c(Cl)c2)nc1Cl ZINC000740280707 599709128 /nfs/dbraw/zinc/70/91/28/599709128.db2.gz YPOFLSNXYMTFOE-UHFFFAOYSA-N -1 0 321.160 3.899 20 0 DHADRM CCCC[C@@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000736983518 599709393 /nfs/dbraw/zinc/70/93/93/599709393.db2.gz AFZVMDBBYBBHSK-LLVKDONJSA-N -1 0 322.455 3.916 20 0 DHADRM O=C([O-])NCCC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000739950048 599711097 /nfs/dbraw/zinc/71/10/97/599711097.db2.gz 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O=C([O-])[C@@H](OC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000740296577 599866724 /nfs/dbraw/zinc/86/67/24/599866724.db2.gz ABXHPVVDHJHDAW-ZDUSSCGKSA-N -1 0 306.264 3.607 20 0 DHADRM CC/C=C(/C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736948228 599870419 /nfs/dbraw/zinc/87/04/19/599870419.db2.gz KOSZNQFKHQTJRE-POHAHGRESA-N -1 0 303.383 3.572 20 0 DHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C[C@@H]1C=CCC1 ZINC000676019309 599872423 /nfs/dbraw/zinc/87/24/23/599872423.db2.gz VHLFPNWTIFNJBV-LLVKDONJSA-N -1 0 315.394 3.572 20 0 DHADRM Cc1ccc2c(c1C)OC[C@@H]2Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000738674754 599873554 /nfs/dbraw/zinc/87/35/54/599873554.db2.gz APNZUJMBCAGNDX-VIFPVBQESA-N -1 0 324.789 3.657 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736971968 599880250 /nfs/dbraw/zinc/88/02/50/599880250.db2.gz DRRKDRPUQHRWMB-GDBMZVCRSA-N -1 0 318.417 3.543 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736971971 599880570 /nfs/dbraw/zinc/88/05/70/599880570.db2.gz 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Cc1cccnc1[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)C(C)C ZINC000832983575 601011397 /nfs/dbraw/zinc/01/13/97/601011397.db2.gz LAPCGNFIAVHGHO-NVXWUHKLSA-N -1 0 316.376 3.642 20 0 DHADRM CCC(CC)(CC)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828815161 601033891 /nfs/dbraw/zinc/03/38/91/601033891.db2.gz IPNLCTWASOYZCE-UHFFFAOYSA-N -1 0 322.405 3.630 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000829044821 601040404 /nfs/dbraw/zinc/04/04/04/601040404.db2.gz UXUMJYWJPNXYQR-KRWDZBQOSA-N -1 0 304.390 3.737 20 0 DHADRM C[C@H]1CCC[C@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000736776559 601041640 /nfs/dbraw/zinc/04/16/40/601041640.db2.gz WBGAJUTTYPEAIA-QWRGUYRKSA-N -1 0 322.430 3.553 20 0 DHADRM CCCCCN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C(C)C ZINC000829364158 601052953 /nfs/dbraw/zinc/05/29/53/601052953.db2.gz UOXMGMGMIRCCAE-UHFFFAOYSA-N -1 0 321.421 3.887 20 0 DHADRM Cc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1C(=O)[O-] ZINC000676025500 601062447 /nfs/dbraw/zinc/06/24/47/601062447.db2.gz 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315.772 3.634 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/SCc1ccco1 ZINC000833093467 602055021 /nfs/dbraw/zinc/05/50/21/602055021.db2.gz XQYSSTGOWWIUJZ-SOFGYWHQSA-N -1 0 321.329 3.503 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000037716456 602057954 /nfs/dbraw/zinc/05/79/54/602057954.db2.gz ALPMFIAQYWJJKI-UHFFFAOYSA-N -1 0 324.163 3.622 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000262771538 602059138 /nfs/dbraw/zinc/05/91/38/602059138.db2.gz LJUPSWQIFFKSEZ-UHFFFAOYSA-N -1 0 303.383 3.846 20 0 DHADRM Cc1[nH]c(C(=O)N(C)c2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC000832842675 602060197 /nfs/dbraw/zinc/06/01/97/602060197.db2.gz BILITAYKSJKZGT-UHFFFAOYSA-N -1 0 314.385 3.730 20 0 DHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(C)n1C(C)C ZINC000263128174 602073674 /nfs/dbraw/zinc/07/36/74/602073674.db2.gz GAKPSPOINGKOSN-UHFFFAOYSA-N -1 0 314.385 3.565 20 0 DHADRM Cc1ccc(/C=C\CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000576497247 602078450 /nfs/dbraw/zinc/07/84/50/602078450.db2.gz 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CCC[C@@H](CC)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826735415 603387000 /nfs/dbraw/zinc/38/70/00/603387000.db2.gz NKJIZOWGXBICSN-DGCLKSJQSA-N -1 0 307.394 3.715 20 0 DHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)c2cccc(F)c2)n1 ZINC000824219174 603415572 /nfs/dbraw/zinc/41/55/72/603415572.db2.gz RWZDIRYGZYNJQE-MFKMUULPSA-N -1 0 321.352 3.715 20 0 DHADRM O=C([O-])N[C@H]1CC[C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000832319586 603418250 /nfs/dbraw/zinc/41/82/50/603418250.db2.gz YRRBADCBSVFEOQ-OLZOCXBDSA-N -1 0 323.352 3.794 20 0 DHADRM CCC1(CC)CCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000826649649 603471655 /nfs/dbraw/zinc/47/16/55/603471655.db2.gz IGHKTMMLUCVGAH-UHFFFAOYSA-N -1 0 323.368 3.960 20 0 DHADRM CC(C)[C@H]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000825422825 603473181 /nfs/dbraw/zinc/47/31/81/603473181.db2.gz KQVKVMWEGDLWCH-JSGCOSHPSA-N -1 0 319.405 3.525 20 0 DHADRM Cc1cccc2[nH]cc(CC(=O)Oc3cccc(NC(=O)[O-])c3)c21 ZINC000738311021 603481179 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971160658 /nfs/dbraw/zinc/16/06/58/971160658.db2.gz YFRCKGQGMLHRJM-UHFFFAOYSA-N -1 0 320.348 3.736 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)c1cccc2c1CCCCC2 ZINC001602472312 971205330 /nfs/dbraw/zinc/20/53/30/971205330.db2.gz RZZDLNALKLJIME-UHFFFAOYSA-N -1 0 323.392 3.584 20 0 DHADRM C/C(=C\C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC001602735205 971417827 /nfs/dbraw/zinc/41/78/27/971417827.db2.gz VJOYLTSAIWUHLP-UAJRFJEFSA-N -1 0 321.804 3.598 20 0 DHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000048515278 1013080287 /nfs/dbraw/zinc/08/02/87/1013080287.db2.gz UOTIOBAMRSJWLC-CYBMUJFWSA-N -1 0 323.439 3.896 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000036976895 948821106 /nfs/dbraw/zinc/82/11/06/948821106.db2.gz CHVPVECBSFHACO-GFCCVEGCSA-N -1 0 301.367 3.505 20 0 DHADRM CC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC001589563856 948834393 /nfs/dbraw/zinc/83/43/93/948834393.db2.gz CSVSUWJTBOXARI-ZHUYAKLQSA-N -1 0 313.353 3.567 20 0 DHADRM CC[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001589565342 948860705 /nfs/dbraw/zinc/86/07/05/948860705.db2.gz VCKJURZJDHIFLN-IRXDYDNUSA-N -1 0 311.381 3.518 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@@H]1CC1(C)C ZINC001589565820 948866990 /nfs/dbraw/zinc/86/69/90/948866990.db2.gz JCQGQIKUHJFRSE-UONOGXRCSA-N -1 0 304.390 3.639 20 0 DHADRM CC[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@H]1CC1(C)C ZINC001589565760 948867784 /nfs/dbraw/zinc/86/77/84/948867784.db2.gz IHUQVDBUBROGRJ-GJZGRUSLSA-N -1 0 318.417 3.650 20 0 DHADRM CCCC[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000347254948 971521917 /nfs/dbraw/zinc/52/19/17/971521917.db2.gz CPKGMGJAHLNUPB-OFLPRAFFSA-N -1 0 317.429 3.720 20 0 DHADRM CCCC[C@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000347265399 971522826 /nfs/dbraw/zinc/52/28/26/971522826.db2.gz UHZONELQHGRTTD-KRWDZBQOSA-N -1 0 313.397 3.532 20 0 DHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1 ZINC000362438482 971535126 /nfs/dbraw/zinc/53/51/26/971535126.db2.gz GSATZOVTVYEMKZ-DVOMOZLQSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589587522 949067258 /nfs/dbraw/zinc/06/72/58/949067258.db2.gz VIPZMKWSFCBFFM-AVGNSLFASA-N -1 0 322.405 3.622 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000113240327 949229119 /nfs/dbraw/zinc/22/91/19/949229119.db2.gz SHZHKDPHSXPSOD-KRWDZBQOSA-N -1 0 309.365 3.671 20 0 DHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC001595221641 949258471 /nfs/dbraw/zinc/25/84/71/949258471.db2.gz ZAUXFDPKVDLFJB-UHFFFAOYSA-N -1 0 306.321 3.632 20 0 DHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c(F)c1 ZINC000079154577 1013092153 /nfs/dbraw/zinc/09/21/53/1013092153.db2.gz OFAPZDJYPUNUGT-GFCCVEGCSA-N -1 0 321.373 3.530 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000157809806 949365831 /nfs/dbraw/zinc/36/58/31/949365831.db2.gz AWAALXVBKHFBKA-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM O=C([O-])c1cccc(CN2CCCCC[C@@H]2C(F)(F)F)c1 ZINC001595242089 949473568 /nfs/dbraw/zinc/47/35/68/949473568.db2.gz DVYNOGDSMPFNDD-CYBMUJFWSA-N -1 0 301.308 3.692 20 0 DHADRM O=C([O-])c1cccc(C(=O)Oc2cccc(-c3ccccn3)c2)c1 ZINC001595242143 949476547 /nfs/dbraw/zinc/47/65/47/949476547.db2.gz IVNKDDBAXZYZJI-UHFFFAOYSA-N -1 0 319.316 3.666 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC001595243020 949486306 /nfs/dbraw/zinc/48/63/06/949486306.db2.gz JJRVWXYMMRHXBI-USXIJHARSA-N -1 0 315.413 3.608 20 0 DHADRM O=C([O-])c1cccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC001595248919 949533521 /nfs/dbraw/zinc/53/35/21/949533521.db2.gz QRSRXPAVAHFWNO-CVEARBPZSA-N -1 0 313.328 3.656 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2c(F)ccc(F)c2Cl)c1 ZINC001595249670 949543022 /nfs/dbraw/zinc/54/30/22/949543022.db2.gz KMVQDXHCRCFOOP-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001589633800 949581715 /nfs/dbraw/zinc/58/17/15/949581715.db2.gz HURUVOJHLBOORB-MRXNPFEDSA-N -1 0 318.417 3.543 20 0 DHADRM CCC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC001589634329 949592164 /nfs/dbraw/zinc/59/21/64/949592164.db2.gz PHPYNAQLUFBDRA-UONOGXRCSA-N -1 0 314.470 3.637 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001595255597 949600857 /nfs/dbraw/zinc/60/08/57/949600857.db2.gz AWWDEVMUNCEQPM-UHFFFAOYSA-N -1 0 310.353 3.720 20 0 DHADRM CCCC[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CCC1 ZINC001589639705 949668155 /nfs/dbraw/zinc/66/81/55/949668155.db2.gz IWEBMHFZVWTHKL-MRXNPFEDSA-N -1 0 318.417 3.543 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589640562 949685935 /nfs/dbraw/zinc/68/59/35/949685935.db2.gz IUYJRXWDHSEARP-YGNAEDSMSA-N -1 0 307.390 3.714 20 0 DHADRM CCCCC[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589642560 949710614 /nfs/dbraw/zinc/71/06/14/949710614.db2.gz YVEHPGKPEPKGHI-YGNAEDSMSA-N -1 0 305.374 3.562 20 0 DHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001589660095 949860205 /nfs/dbraw/zinc/86/02/05/949860205.db2.gz YQXVLSJZSGWKPU-UHFFFAOYSA-N -1 0 301.317 3.581 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1C(C)C ZINC001589681318 950050274 /nfs/dbraw/zinc/05/02/74/950050274.db2.gz KLNILSTVKNSVII-UONOGXRCSA-N -1 0 319.401 3.648 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000262024468 950054420 /nfs/dbraw/zinc/05/44/20/950054420.db2.gz GJWFFSPPCMDLPH-KZNAEPCWSA-N -1 0 323.392 3.614 20 0 DHADRM CCN(C(=O)Nc1ccc(C)c(Cl)c1Cl)[C@@H](C)C(=O)[O-] ZINC001589702948 950242046 /nfs/dbraw/zinc/24/20/46/950242046.db2.gz HUYASBMDEWLJSK-QMMMGPOBSA-N -1 0 319.188 3.629 20 0 DHADRM CCc1nc2ccc(N=c3nc([C@@H](C)OC)[n-]s3)cc2s1 ZINC000645341933 1013100985 /nfs/dbraw/zinc/10/09/85/1013100985.db2.gz HWCPXFYSWDYIGW-MRVPVSSYSA-N -1 0 320.443 3.583 20 0 DHADRM CC(C)[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccccc1 ZINC000263107621 950270463 /nfs/dbraw/zinc/27/04/63/950270463.db2.gz DFGSDUQVYJUCQP-PVAVHDDUSA-N -1 0 317.429 3.528 20 0 DHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000263125832 950279133 /nfs/dbraw/zinc/27/91/33/950279133.db2.gz CPCKHMWNRQOEGR-WCQYABFASA-N -1 0 323.820 3.646 20 0 DHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000263157869 950300975 /nfs/dbraw/zinc/30/09/75/950300975.db2.gz FXUCJKRMFRMZPP-MWLCHTKSSA-N -1 0 302.201 3.536 20 0 DHADRM CCN(C(=O)Nc1ccccc1SC(C)C)[C@H](C)C(=O)[O-] ZINC001589707107 950302638 /nfs/dbraw/zinc/30/26/38/950302638.db2.gz MHECZIOZAXHPKQ-LLVKDONJSA-N -1 0 310.419 3.514 20 0 DHADRM CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)C(=O)[O-] ZINC001589707292 950307619 /nfs/dbraw/zinc/30/76/19/950307619.db2.gz RCVBYFOBGLSYEK-LBPRGKRZSA-N -1 0 324.380 3.585 20 0 DHADRM Cc1cccc([C@H]2CCCN2C(=O)CCCCC(=O)[O-])c1C ZINC000263288731 950350524 /nfs/dbraw/zinc/35/05/24/950350524.db2.gz LCUDCFMAOGCGEQ-MRXNPFEDSA-N -1 0 303.402 3.612 20 0 DHADRM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000263467261 950476572 /nfs/dbraw/zinc/47/65/72/950476572.db2.gz CWPVHSLLVYOCKO-GXSJLCMTSA-N -1 0 319.298 3.530 20 0 DHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001589736624 950546362 /nfs/dbraw/zinc/54/63/62/950546362.db2.gz HIDRDECARDHLID-KRWDZBQOSA-N -1 0 313.397 3.545 20 0 DHADRM CCN(Cc1ccccc1F)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589740268 950574014 /nfs/dbraw/zinc/57/40/14/950574014.db2.gz BDZNMRATYNPUFQ-UHFFFAOYSA-N -1 0 321.392 3.599 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)CCC2CCCC2)c2ccccc21 ZINC000316851420 950892166 /nfs/dbraw/zinc/89/21/66/950892166.db2.gz UMMQDPXYLUEKMP-OAHLLOKOSA-N -1 0 301.386 3.562 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001602854429 971703981 /nfs/dbraw/zinc/70/39/81/971703981.db2.gz IAQVWGAVVIOCNC-VXGBXAGGSA-N -1 0 319.405 3.506 20 0 DHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001602854626 971705842 /nfs/dbraw/zinc/70/58/42/971705842.db2.gz QETHGIMYFJWBDT-VBHSOAQHSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC=CCCC1 ZINC001595011186 951242951 /nfs/dbraw/zinc/24/29/51/951242951.db2.gz JOFPNNVVEGDHJU-HZPDHXFCSA-N -1 0 322.449 3.552 20 0 DHADRM Cc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000385740485 951284244 /nfs/dbraw/zinc/28/42/44/951284244.db2.gz DERSAKMSYKIZRQ-HNNXBMFYSA-N -1 0 304.390 3.555 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC001595020080 951317470 /nfs/dbraw/zinc/31/74/70/951317470.db2.gz ZHBMOXJQENIOHD-UHFFFAOYSA-N -1 0 316.401 3.673 20 0 DHADRM O=C([O-])CCCCC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001595031546 951372411 /nfs/dbraw/zinc/37/24/11/951372411.db2.gz PQRLAWIEUXJUPG-GOSISDBHSA-N -1 0 313.397 3.551 20 0 DHADRM CCOc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001592993714 951382407 /nfs/dbraw/zinc/38/24/07/951382407.db2.gz SKZQVCBXDUXWOJ-INIZCTEOSA-N -1 0 319.788 3.654 20 0 DHADRM O=C([O-])CCCCCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001595037868 951414594 /nfs/dbraw/zinc/41/45/94/951414594.db2.gz VLAYFBUMLPGVBD-UHFFFAOYSA-N -1 0 303.402 3.719 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000397079335 951516803 /nfs/dbraw/zinc/51/68/03/951516803.db2.gz GUWQRAPMJYVIGR-JKSUJKDBSA-N -1 0 311.337 3.528 20 0 DHADRM O=C([O-])c1cccc(CN2CCCc3ccccc32)c1Cl ZINC000381811994 971780667 /nfs/dbraw/zinc/78/06/67/971780667.db2.gz DHBIATAKVWFKAH-UHFFFAOYSA-N -1 0 301.773 3.991 20 0 DHADRM O=C([O-])Cc1ccc(Oc2ncncc2-c2ccccc2)cc1 ZINC001595130940 952033920 /nfs/dbraw/zinc/03/39/20/952033920.db2.gz YTXOOUGOYXMRRO-UHFFFAOYSA-N -1 0 306.321 3.563 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)NCCC1=CCCCCC1 ZINC001595136241 952054086 /nfs/dbraw/zinc/05/40/86/952054086.db2.gz FPQPZUYSYQAMOX-UHFFFAOYSA-N -1 0 316.401 3.716 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001602922768 971880513 /nfs/dbraw/zinc/88/05/13/971880513.db2.gz COIZEKBOFUYFOS-GFCCVEGCSA-N -1 0 323.820 3.574 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(Cl)ccc1C(C)(C)C)C(=O)[O-] ZINC001593603022 953415134 /nfs/dbraw/zinc/41/51/34/953415134.db2.gz PQJIKHVLAVTYLP-LLVKDONJSA-N -1 0 312.797 3.622 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc(-c2ccccc2)c(C)c1)C(=O)[O-] ZINC001593603162 953415396 /nfs/dbraw/zinc/41/53/96/953415396.db2.gz SXLAOMMNWCFEKO-MRXNPFEDSA-N -1 0 312.369 3.647 20 0 DHADRM Cc1cccc2c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])coc21 ZINC000424254840 953437836 /nfs/dbraw/zinc/43/78/36/953437836.db2.gz TZRPBSGLQMMTFH-CYBMUJFWSA-N -1 0 315.369 3.601 20 0 DHADRM CC(C)c1ccc(C2(C(=O)N[C@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000427735884 953496786 /nfs/dbraw/zinc/49/67/86/953496786.db2.gz LAILOBMDEVYKOZ-CQSZACIVSA-N -1 0 317.429 3.601 20 0 DHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589284996 953554923 /nfs/dbraw/zinc/55/49/23/953554923.db2.gz QQRPVNPPGFOISM-IDOVFVQQSA-N -1 0 319.401 3.664 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])CC(C)(C)C1 ZINC001589286037 953573293 /nfs/dbraw/zinc/57/32/93/953573293.db2.gz LUYKKXBNVKRIIH-CTASWTNQSA-N -1 0 309.450 3.551 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCC1 ZINC000556664693 953583852 /nfs/dbraw/zinc/58/38/52/953583852.db2.gz IERJFSZZUOYDAF-UHFFFAOYSA-N -1 0 323.392 3.683 20 0 DHADRM CCc1ccc(C(C)(C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001593635284 953605995 /nfs/dbraw/zinc/60/59/95/953605995.db2.gz JYGLTSPWDLVDKN-UHFFFAOYSA-N -1 0 311.381 3.612 20 0 DHADRM CCc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C2 ZINC001593640589 953641210 /nfs/dbraw/zinc/64/12/10/953641210.db2.gz DGZLQFXTVMYSHH-UHFFFAOYSA-N -1 0 301.411 3.567 20 0 DHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000574140777 953676401 /nfs/dbraw/zinc/67/64/01/953676401.db2.gz GQFBIUWMMKQFQH-OAHLLOKOSA-N -1 0 318.417 3.576 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc(C)c1Cl ZINC000576755657 953690654 /nfs/dbraw/zinc/69/06/54/953690654.db2.gz UFFATEHYNUDEBJ-ZANVPECISA-N -1 0 324.808 3.531 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001589303094 953706096 /nfs/dbraw/zinc/70/60/96/953706096.db2.gz OFFXZNRDHOFHCS-DYVFJYSZSA-N -1 0 313.397 3.579 20 0 DHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001589310572 953788702 /nfs/dbraw/zinc/78/87/02/953788702.db2.gz SCSJSFRTZOAQJA-BARDWOONSA-N -1 0 311.466 3.558 20 0 DHADRM CCCC[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)C ZINC000621536371 953792748 /nfs/dbraw/zinc/79/27/48/953792748.db2.gz IMIKMJALSGISEU-NVXWUHKLSA-N -1 0 317.429 3.659 20 0 DHADRM O=C([O-])CN(C(=O)c1cc2c(ccc3ccccc23)o1)C1CCC1 ZINC000630217639 953847819 /nfs/dbraw/zinc/84/78/19/953847819.db2.gz UHTDTJFLOTUCPC-UHFFFAOYSA-N -1 0 323.348 3.665 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001589319710 953848395 /nfs/dbraw/zinc/84/83/95/953848395.db2.gz POECRGITXHYSPR-CHWSQXEVSA-N -1 0 304.390 3.723 20 0 DHADRM Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000630568248 953865673 /nfs/dbraw/zinc/86/56/73/953865673.db2.gz PIUNRVAUECXDIW-CMPLNLGQSA-N -1 0 324.808 3.531 20 0 DHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)cc(Cl)c1F ZINC000635017792 953871310 /nfs/dbraw/zinc/87/13/10/953871310.db2.gz JREXKICDSGDJPR-RDDDGLTNSA-N -1 0 306.164 3.570 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000647736923 953972116 /nfs/dbraw/zinc/97/21/16/953972116.db2.gz VODOEBRLWSOFPN-KCJUWKMLSA-N -1 0 318.200 3.527 20 0 DHADRM CCC(CC)(CNC(=O)Nc1ccc(C)c(SC)c1)C(=O)[O-] ZINC000649545094 954007870 /nfs/dbraw/zinc/00/78/70/954007870.db2.gz NRZCALRMRUVRMT-UHFFFAOYSA-N -1 0 324.446 3.729 20 0 DHADRM C[C@H]1CC[C@@](C)(/C=C/C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1(C)C ZINC001589338105 954011673 /nfs/dbraw/zinc/01/16/73/954011673.db2.gz PJHNLQNJJOBPKN-WALFUTEZSA-N -1 0 321.461 3.574 20 0 DHADRM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC3(C)C)c2C(=O)[O-])C1 ZINC001589360809 954153979 /nfs/dbraw/zinc/15/39/79/954153979.db2.gz FAIYRYGTBFTOES-WCBMZHEXSA-N -1 0 307.415 3.556 20 0 DHADRM CC(C)(C)CCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331463 954161279 /nfs/dbraw/zinc/16/12/79/954161279.db2.gz RNONNOGSJMNIHB-GJZGRUSLSA-N -1 0 303.402 3.632 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1ccccc1N1CCCCCC1 ZINC000655554108 954200634 /nfs/dbraw/zinc/20/06/34/954200634.db2.gz KQTMOBZIUZECKO-UHFFFAOYSA-N -1 0 318.417 3.651 20 0 DHADRM CC(C)=CCC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655877989 954263412 /nfs/dbraw/zinc/26/34/12/954263412.db2.gz BDBVLMGZJILZDF-ZQDZILKHSA-N -1 0 324.465 3.556 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC001589388193 954314937 /nfs/dbraw/zinc/31/49/37/954314937.db2.gz QVBKJEFZWJMBHW-MLGOLLRUSA-N -1 0 310.353 3.610 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000659232161 954318139 /nfs/dbraw/zinc/31/81/39/954318139.db2.gz GDUKVIGFCURZFX-INIZCTEOSA-N -1 0 301.386 3.570 20 0 DHADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001593732713 954324943 /nfs/dbraw/zinc/32/49/43/954324943.db2.gz INQBJLQMKQCTTP-CVEARBPZSA-N -1 0 317.429 3.530 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc(C(F)F)c2Cl)CC=CC1 ZINC001594870869 954353943 /nfs/dbraw/zinc/35/39/43/954353943.db2.gz BNGXIVOEWOWKFG-UHFFFAOYSA-N -1 0 315.703 3.637 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC000659762268 954363868 /nfs/dbraw/zinc/36/38/68/954363868.db2.gz DLRKAAKEFGBPHO-AWEZNQCLSA-N -1 0 315.413 3.671 20 0 DHADRM O=C([O-])[C@]1(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CC=CCC1 ZINC001594878768 954399292 /nfs/dbraw/zinc/39/92/92/954399292.db2.gz MXWVYLAPJBTYBS-YOEHRIQHSA-N -1 0 320.772 3.682 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(C3CCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000663056807 954426974 /nfs/dbraw/zinc/42/69/74/954426974.db2.gz CRYWPPOQZIAVOS-DYVFJYSZSA-N -1 0 315.413 3.527 20 0 DHADRM CC(C)c1cnc(NC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC000663062998 954434484 /nfs/dbraw/zinc/43/44/84/954434484.db2.gz VHJXEQTUMOGJFF-UHFFFAOYSA-N -1 0 310.419 3.630 20 0 DHADRM O=C([O-])C1(c2noc([C@@H]3CCC[C@H]3c3ccccc3)n2)CCC1 ZINC001594886608 954471626 /nfs/dbraw/zinc/47/16/26/954471626.db2.gz BOOWZIPYNGTYEQ-UONOGXRCSA-N -1 0 312.369 3.627 20 0 DHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593760928 954489546 /nfs/dbraw/zinc/48/95/46/954489546.db2.gz AVZRHVVXYZXTBE-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593761079 954493290 /nfs/dbraw/zinc/49/32/90/954493290.db2.gz PZJMJFDJYARIPH-MRXNPFEDSA-N -1 0 313.397 3.545 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676216975 954584153 /nfs/dbraw/zinc/58/41/53/954584153.db2.gz OZSLOLZEELSEEB-HOTGVXAUSA-N -1 0 309.450 3.696 20 0 DHADRM C/C=C/C=C/C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001589420830 954603112 /nfs/dbraw/zinc/60/31/12/954603112.db2.gz SOBQHISFOZEQRS-KNNAHHCASA-N -1 0 321.398 3.539 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC001589435162 954681616 /nfs/dbraw/zinc/68/16/16/954681616.db2.gz CXRRHEHFSDOXPN-HNNXBMFYSA-N -1 0 321.417 3.574 20 0 DHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC001589435164 954682988 /nfs/dbraw/zinc/68/29/88/954682988.db2.gz CXRRHEHFSDOXPN-OAHLLOKOSA-N -1 0 321.417 3.574 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001589446488 954765131 /nfs/dbraw/zinc/76/51/31/954765131.db2.gz APLHRAPGRKBXEU-PWGQDJSOSA-N -1 0 309.450 3.599 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cccc2ccsc21 ZINC000386265666 972040533 /nfs/dbraw/zinc/04/05/33/972040533.db2.gz XFZVHUGANTUYBP-UHFFFAOYSA-N -1 0 305.399 3.666 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC001589451997 954808656 /nfs/dbraw/zinc/80/86/56/954808656.db2.gz OQBSIUHYYFWWFR-CZUORRHYSA-N -1 0 317.429 3.557 20 0 DHADRM O=C([O-])[C@@H]1CCN(CC2CCC2)c2ccc(Br)cc21 ZINC001594933340 954835204 /nfs/dbraw/zinc/83/52/04/954835204.db2.gz NNTHOXBNNLURBO-GFCCVEGCSA-N -1 0 324.218 3.628 20 0 DHADRM CC(C)C[C@@H](C)CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603002494 972046436 /nfs/dbraw/zinc/04/64/36/972046436.db2.gz UNUOZNAMHAMTSX-CYBMUJFWSA-N -1 0 303.402 3.736 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NCC(C)(C)c1ccc(C)cc1C ZINC001589473710 954938638 /nfs/dbraw/zinc/93/86/38/954938638.db2.gz IXSVHYCNNRNHGQ-UHFFFAOYSA-N -1 0 319.445 3.588 20 0 DHADRM CCC(CC)(CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC001589481538 954980951 /nfs/dbraw/zinc/98/09/51/954980951.db2.gz HBUNYDWCTWSCAE-OAHLLOKOSA-N -1 0 323.408 3.573 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001589514806 955061219 /nfs/dbraw/zinc/06/12/19/955061219.db2.gz ONTJQOPMCKYJAF-IMJJTQAJSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589514804 955061375 /nfs/dbraw/zinc/06/13/75/955061375.db2.gz ONTJQOPMCKYJAF-BMFZPTHFSA-N -1 0 309.450 3.552 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589515293 955065113 /nfs/dbraw/zinc/06/51/13/955065113.db2.gz XBTJAHMIIJKNIP-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CC[C@H](CNC(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001589545199 955194676 /nfs/dbraw/zinc/19/46/76/955194676.db2.gz GXMZLBSTNHKLGP-CYBMUJFWSA-N -1 0 312.369 3.586 20 0 DHADRM CC(C)CC1(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)CCCC1 ZINC001603018262 972076046 /nfs/dbraw/zinc/07/60/46/972076046.db2.gz KZLNGOBXAWDZEP-SFHVURJKSA-N -1 0 307.434 3.520 20 0 DHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001603024581 972084327 /nfs/dbraw/zinc/08/43/27/972084327.db2.gz WZVGOQQNWXAOPN-UONOGXRCSA-N -1 0 319.401 3.551 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594505880 955356770 /nfs/dbraw/zinc/35/67/70/955356770.db2.gz HRSVZDGMLLRLPL-CYBMUJFWSA-N -1 0 309.406 3.721 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589013057 955397742 /nfs/dbraw/zinc/39/77/42/955397742.db2.gz NOBUYARWYRLANO-KUHUBIRLSA-N -1 0 317.429 3.709 20 0 DHADRM Cc1sc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nc1C1CCCCC1 ZINC001594512548 955401614 /nfs/dbraw/zinc/40/16/14/955401614.db2.gz WUZIYQVKJOQEMH-VXGBXAGGSA-N -1 0 322.430 3.549 20 0 DHADRM C[C@H](CCC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccccc1 ZINC001589013508 955404879 /nfs/dbraw/zinc/40/48/79/955404879.db2.gz XZLCOOWEXBBDID-CQSZACIVSA-N -1 0 305.418 3.530 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589014254 955418259 /nfs/dbraw/zinc/41/82/59/955418259.db2.gz NDSGAOJMCBIEEV-HOCLYGCPSA-N -1 0 324.465 3.632 20 0 DHADRM Cn1c2ccc(Cl)cc2nc1NCc1cccc(C(=O)[O-])c1 ZINC001594521370 955458234 /nfs/dbraw/zinc/45/82/34/955458234.db2.gz FWXHXVBMVBJKEU-UHFFFAOYSA-N -1 0 315.760 3.537 20 0 DHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000387023528 972098357 /nfs/dbraw/zinc/09/83/57/972098357.db2.gz DGSOLIBTNJZCAN-LBPRGKRZSA-N -1 0 321.373 3.510 20 0 DHADRM CCC(CC)[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000387238076 972112872 /nfs/dbraw/zinc/11/28/72/972112872.db2.gz BRXFXCAIICEDDV-ACJLOTCBSA-N -1 0 305.418 3.781 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000387332954 972118516 /nfs/dbraw/zinc/11/85/16/972118516.db2.gz ULGSFXYGQLUXNK-MEDUHNTESA-N -1 0 309.381 3.530 20 0 DHADRM CCc1ccc([C@H](NC(=O)C[C@H](C)CC(=O)[O-])C(C)C)cc1 ZINC000387410253 972121965 /nfs/dbraw/zinc/12/19/65/972121965.db2.gz DDCFVNRRGSVRSS-SCLBCKFNSA-N -1 0 305.418 3.563 20 0 DHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000852939549 955854773 /nfs/dbraw/zinc/85/47/73/955854773.db2.gz STEYWUAZJRXZAO-MSOLQXFVSA-N -1 0 323.392 3.585 20 0 DHADRM CC(F)(F)c1ccccc1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589084930 955894140 /nfs/dbraw/zinc/89/41/40/955894140.db2.gz MJPILOJCSVSXBN-MRXNPFEDSA-N -1 0 309.312 3.548 20 0 DHADRM O=C([O-])c1ccc(/C=C\C(=O)N(CC2CC2)C2CCCCC2)o1 ZINC000864107855 955937194 /nfs/dbraw/zinc/93/71/94/955937194.db2.gz AKXUYKSXKWZLDR-LUAWRHEFSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1sccc1C(F)F ZINC000872718027 956061746 /nfs/dbraw/zinc/06/17/46/956061746.db2.gz FHKWUTVOPABQNT-SECBINFHSA-N -1 0 317.357 3.545 20 0 DHADRM C[C@@H](Nc1nc2ccc(F)cc2o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589136730 956231937 /nfs/dbraw/zinc/23/19/37/956231937.db2.gz SJXNONITACHAFT-DVVUODLYSA-N -1 0 306.337 3.514 20 0 DHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cscc1C(F)F ZINC000901576525 956348926 /nfs/dbraw/zinc/34/89/26/956348926.db2.gz ARHHTDLBMLUZLR-VIFPVBQESA-N -1 0 317.357 3.545 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000655542985 1013145828 /nfs/dbraw/zinc/14/58/28/1013145828.db2.gz GBLYMTPVSIGIDM-KRWDZBQOSA-N -1 0 321.376 3.783 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN1Cc1csc(C2CCCCC2)n1 ZINC001589187543 956567495 /nfs/dbraw/zinc/56/74/95/956567495.db2.gz VKDRRLKTJJOBRO-MRXNPFEDSA-N -1 0 308.447 3.630 20 0 DHADRM O=C([O-])CCC1CCN(C(=O)CCCCc2ccccc2)CC1 ZINC000902058574 956634313 /nfs/dbraw/zinc/63/43/13/956634313.db2.gz NCTCVCVXYKEDNU-UHFFFAOYSA-N -1 0 317.429 3.503 20 0 DHADRM O=C([O-])c1ccc(/C=C/C(=O)O[C@@H](c2ccccc2)C(F)F)o1 ZINC001594674655 956648377 /nfs/dbraw/zinc/64/83/77/956648377.db2.gz RBFDJDNFVUYYIV-KGXGESDWSA-N -1 0 322.263 3.541 20 0 DHADRM CC1(C)CCC(C)(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001589221270 956777804 /nfs/dbraw/zinc/77/78/04/956777804.db2.gz VRGBBAVYSZXMTB-FNORWQNLSA-N -1 0 319.401 3.714 20 0 DHADRM CC1(C)CCC[C@@H]1CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001589226040 956795507 /nfs/dbraw/zinc/79/55/07/956795507.db2.gz VHGKQOMIQYQDDA-HUUCEWRRSA-N -1 0 324.465 3.632 20 0 DHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001589226111 956797149 /nfs/dbraw/zinc/79/71/49/956797149.db2.gz YDJAPJPCTRIRKK-XHSDSOJGSA-N -1 0 321.461 3.552 20 0 DHADRM O=C([O-])c1cccc(CNC(=O)Cc2ccc(C3CCC3)cc2)c1 ZINC001594706584 956842342 /nfs/dbraw/zinc/84/23/42/956842342.db2.gz IYDFWJKJQRFHSC-UHFFFAOYSA-N -1 0 323.392 3.511 20 0 DHADRM CC(C)c1ccccc1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013080000 956932231 /nfs/dbraw/zinc/93/22/31/956932231.db2.gz PPWLWCIKFNYBBR-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000013094797 956945756 /nfs/dbraw/zinc/94/57/56/956945756.db2.gz AJRCLOMYYBBWEV-UHFFFAOYSA-N -1 0 315.394 3.732 20 0 DHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2C)cc1 ZINC000013179050 956961817 /nfs/dbraw/zinc/96/18/17/956961817.db2.gz PYTJLRJAXLRVAC-KRWDZBQOSA-N -1 0 311.381 3.558 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3C)coc2c1 ZINC000013390847 957046218 /nfs/dbraw/zinc/04/62/18/957046218.db2.gz TVIAIHGDACKDGK-UHFFFAOYSA-N -1 0 323.348 3.929 20 0 DHADRM C[C@]1(c2ccccc2)CCCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000911458992 957071756 /nfs/dbraw/zinc/07/17/56/957071756.db2.gz HFMMJDNSHLUPLJ-IBGZPJMESA-N -1 0 317.429 3.602 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@@H](C)c1ccccc1 ZINC000013813047 957095883 /nfs/dbraw/zinc/09/58/83/957095883.db2.gz ZJPLFZQUZPCEJM-LBPRGKRZSA-N -1 0 314.410 3.741 20 0 DHADRM C[C@H](CN(C)C(=O)C1(C2CCCCC2)CCCCC1)C(=O)[O-] ZINC001603149740 972244897 /nfs/dbraw/zinc/24/48/97/972244897.db2.gz CIIPCJUXLVTHDP-CQSZACIVSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1nc2sc3c(c2c(S[C@@H](C)C(=O)[O-])n1)CC[C@H](C)C3 ZINC000020373397 957141225 /nfs/dbraw/zinc/14/12/25/957141225.db2.gz DZXBXCRRGIJBGL-YUMQZZPRSA-N -1 0 322.455 3.690 20 0 DHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1 ZINC000021810284 957152376 /nfs/dbraw/zinc/15/23/76/957152376.db2.gz YOCMAQISMUBAOV-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM C[C@@H](CN(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001603149965 972246841 /nfs/dbraw/zinc/24/68/41/972246841.db2.gz PXYFQWADGAESRP-STRFDMGBSA-N -1 0 319.401 3.666 20 0 DHADRM O=C([O-])c1ccoc1CSc1ccc(C(F)(F)F)cn1 ZINC000035200205 957201839 /nfs/dbraw/zinc/20/18/39/957201839.db2.gz SVDBPZSRZCHSEQ-UHFFFAOYSA-N -1 0 303.261 3.684 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)s1 ZINC000035425302 957209892 /nfs/dbraw/zinc/20/98/92/957209892.db2.gz HZXJBXHJCSJKEE-GFCCVEGCSA-N -1 0 301.367 3.505 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001121836053 957213774 /nfs/dbraw/zinc/21/37/74/957213774.db2.gz DKUPKXXMEOHAEF-KRWDZBQOSA-N -1 0 324.380 3.561 20 0 DHADRM Cc1cc(COc2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000036810892 957237566 /nfs/dbraw/zinc/23/75/66/957237566.db2.gz JDQZOBUUWREMJS-UHFFFAOYSA-N -1 0 300.232 3.884 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001122291832 957241354 /nfs/dbraw/zinc/24/13/54/957241354.db2.gz ONVODVRPXOUGES-KXBFYZLASA-N -1 0 317.429 3.674 20 0 DHADRM CSc1ccc(C)c(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000037430395 957284573 /nfs/dbraw/zinc/28/45/73/957284573.db2.gz MIERNTUJANBZEC-UHFFFAOYSA-N -1 0 301.367 3.667 20 0 DHADRM C[C@@H]1CCc2c(C(=O)Nc3sccc3C(=O)[O-])csc2C1 ZINC000037450461 957293351 /nfs/dbraw/zinc/29/33/51/957293351.db2.gz KYIKFOHKWJSDPH-MRVPVSSYSA-N -1 0 321.423 3.885 20 0 DHADRM C[C@H](Nc1cc(C(=O)[O-])ccn1)c1ccc(Br)cc1 ZINC000042317452 957408922 /nfs/dbraw/zinc/40/89/22/957408922.db2.gz WONJVBVWUCSTFJ-VIFPVBQESA-N -1 0 321.174 3.715 20 0 DHADRM O=C([O-])c1cc(COc2ccc(Cl)c3ccccc23)on1 ZINC000048804942 957460608 /nfs/dbraw/zinc/46/06/08/957460608.db2.gz UCPLTSFVZJFMJQ-UHFFFAOYSA-N -1 0 303.701 3.758 20 0 DHADRM CCC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000048908991 957468979 /nfs/dbraw/zinc/46/89/79/957468979.db2.gz OMQOJKSIQWFORU-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000048987613 957471530 /nfs/dbraw/zinc/47/15/30/957471530.db2.gz IOEZOUVMTUITBV-UHFFFAOYSA-N -1 0 324.789 3.764 20 0 DHADRM C[C@H](Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC000049526956 957478770 /nfs/dbraw/zinc/47/87/70/957478770.db2.gz QONWSRWQKYSSDI-VIFPVBQESA-N -1 0 321.174 3.715 20 0 DHADRM Cc1c(NC(=O)Cc2ccccc2Cl)cccc1C(=O)[O-] ZINC000057351798 957550778 /nfs/dbraw/zinc/55/07/78/957550778.db2.gz NWQBQIAMANRDDH-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM O=C([O-])c1cccnc1SCc1nc(Cl)ccc1Cl ZINC000061630269 957583175 /nfs/dbraw/zinc/58/31/75/957583175.db2.gz IMIXTOBURWANLK-UHFFFAOYSA-N -1 0 315.181 3.774 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000061834709 957588437 /nfs/dbraw/zinc/58/84/37/957588437.db2.gz WRTPBKYFFUWDJA-ZETCQYMHSA-N -1 0 323.698 3.798 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000061836561 957591266 /nfs/dbraw/zinc/59/12/66/957591266.db2.gz NTVLCYWHSXVRMR-BXUZGUMPSA-N -1 0 309.793 3.504 20 0 DHADRM CC[C@H](C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000067456418 957644538 /nfs/dbraw/zinc/64/45/38/957644538.db2.gz WMYBZWUHHYRGPT-LBPRGKRZSA-N -1 0 307.390 3.693 20 0 DHADRM CC1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000070269644 957668406 /nfs/dbraw/zinc/66/84/06/957668406.db2.gz CLWXLSRZRUMGSS-UHFFFAOYSA-N -1 0 310.781 3.692 20 0 DHADRM CCCc1nccn1Cc1c2ccccc2sc1C(=O)[O-] ZINC000070423676 957672903 /nfs/dbraw/zinc/67/29/03/957672903.db2.gz ZJAAKLQCLGUIRS-UHFFFAOYSA-N -1 0 300.383 3.797 20 0 DHADRM O=C([O-])CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC001328400894 957677737 /nfs/dbraw/zinc/67/77/37/957677737.db2.gz NHHYSVSZIFURMR-UHFFFAOYSA-N -1 0 307.353 3.574 20 0 DHADRM Cc1c(NC(=O)NCc2ccc(Cl)s2)cccc1C(=O)[O-] ZINC000071320052 957717071 /nfs/dbraw/zinc/71/70/71/957717071.db2.gz RLNRXRMFDICHTC-UHFFFAOYSA-N -1 0 324.789 3.730 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC001594289308 957811376 /nfs/dbraw/zinc/81/13/76/957811376.db2.gz VBOTWJJXBVXRLX-UHFFFAOYSA-N -1 0 310.353 3.608 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(C3CCC3)cc2)cc1 ZINC001574796228 957820729 /nfs/dbraw/zinc/82/07/29/957820729.db2.gz RKFSYRBYPCSXCC-UHFFFAOYSA-N -1 0 309.365 3.582 20 0 DHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001574804415 957848641 /nfs/dbraw/zinc/84/86/41/957848641.db2.gz GRVRALPSSMTCJW-HNNXBMFYSA-N -1 0 313.397 3.634 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C1(Cc2ccccc2F)CC1 ZINC001574819704 957902046 /nfs/dbraw/zinc/90/20/46/957902046.db2.gz CINQJPSPPPDHIC-UHFFFAOYSA-N -1 0 319.357 3.547 20 0 DHADRM C[C@H](c1ccccc1F)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000390894490 972306846 /nfs/dbraw/zinc/30/68/46/972306846.db2.gz OAYQRORDAFUDRT-CYBMUJFWSA-N -1 0 321.392 3.770 20 0 DHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000086585169 957973049 /nfs/dbraw/zinc/97/30/49/957973049.db2.gz VXCBBITWCXCNRW-UHFFFAOYSA-N -1 0 309.724 3.798 20 0 DHADRM O=C([O-])c1cnc(Sc2ccc(Cl)c(Cl)c2)cn1 ZINC000088311620 958052621 /nfs/dbraw/zinc/05/26/21/958052621.db2.gz WRVMPUQYIUWXMF-UHFFFAOYSA-N -1 0 301.154 3.633 20 0 DHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(C)c1Cl ZINC001594317738 958088483 /nfs/dbraw/zinc/08/84/83/958088483.db2.gz ASYSJMGFGYRQRX-NEPJUHHUSA-N -1 0 324.808 3.674 20 0 DHADRM Cc1cc(NC(=O)Nc2ncsc2C2CC2)ccc1C(=O)[O-] ZINC001594323206 958139716 /nfs/dbraw/zinc/13/97/16/958139716.db2.gz FGSXONFOIQIPOD-UHFFFAOYSA-N -1 0 317.370 3.671 20 0 DHADRM O=C([O-])c1csc(CNc2ccccc2N2CCCC2)c1 ZINC000095004619 958326548 /nfs/dbraw/zinc/32/65/48/958326548.db2.gz ZELJKANYQGRRSX-UHFFFAOYSA-N -1 0 302.399 3.659 20 0 DHADRM Cc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)cc1 ZINC001594353717 958390056 /nfs/dbraw/zinc/39/00/56/958390056.db2.gz GNLJAVBEFHJNLG-MRXNPFEDSA-N -1 0 324.380 3.715 20 0 DHADRM COc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001594104384 958456254 /nfs/dbraw/zinc/45/62/54/958456254.db2.gz SYPUIJFJAKPGPP-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM Cc1cn(CC(=O)Nc2cc(C(=O)[O-])ccc2C)c2ccccc12 ZINC000120189569 958470413 /nfs/dbraw/zinc/47/04/13/958470413.db2.gz YSTMWZFCZBEHQB-UHFFFAOYSA-N -1 0 322.364 3.595 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001573339646 958531523 /nfs/dbraw/zinc/53/15/23/958531523.db2.gz HCCYUYTWXNTUED-LJKZZIHYSA-N -1 0 309.450 3.622 20 0 DHADRM Cc1ccc(NC(=O)N(C)CCC(=O)[O-])cc1-c1ccsc1 ZINC001594369744 958538601 /nfs/dbraw/zinc/53/86/01/958538601.db2.gz RXNOICBAZCWPQV-UHFFFAOYSA-N -1 0 318.398 3.662 20 0 DHADRM C=Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001588478560 958568689 /nfs/dbraw/zinc/56/86/89/958568689.db2.gz OPQXZEFZLBDKAS-UHFFFAOYSA-N -1 0 324.380 3.700 20 0 DHADRM C/C(=C\C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1C ZINC001588481691 958596270 /nfs/dbraw/zinc/59/62/70/958596270.db2.gz ZCHMCHCTZFPUFZ-MDJJKAFGSA-N -1 0 315.413 3.644 20 0 DHADRM C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001573363723 958609197 /nfs/dbraw/zinc/60/91/97/958609197.db2.gz MCULTQKLNJHUCU-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001594387912 958691832 /nfs/dbraw/zinc/69/18/32/958691832.db2.gz MIGNKDJPALXFCI-SNVBAGLBSA-N -1 0 319.307 3.714 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001594388214 958694016 /nfs/dbraw/zinc/69/40/16/958694016.db2.gz QSRRRWPTYSYGQC-RDTXWAMCSA-N -1 0 313.328 3.517 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1coc2ccccc12 ZINC001594390793 958716838 /nfs/dbraw/zinc/71/68/38/958716838.db2.gz CYZTVFGPVVXQKS-UHFFFAOYSA-N -1 0 309.321 3.621 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(F)c2cccnc12 ZINC001594390917 958717854 /nfs/dbraw/zinc/71/78/54/958717854.db2.gz JXCZLGKFEZJKSO-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM Cc1cccc(N(C)C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC001594404712 958893415 /nfs/dbraw/zinc/89/34/15/958893415.db2.gz AMBTUMHAIFOMQW-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1cccc2cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])sc21 ZINC001594412707 958958271 /nfs/dbraw/zinc/95/82/71/958958271.db2.gz LTEITBCFBAFWRW-ZDUSSCGKSA-N -1 0 319.426 3.686 20 0 DHADRM Cc1cccc2sc(N3CCC[C@@H](CCC(=O)[O-])C3)nc21 ZINC001594413518 958971473 /nfs/dbraw/zinc/97/14/73/958971473.db2.gz FRXKGASVGHFVCE-LBPRGKRZSA-N -1 0 304.415 3.686 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCCc2ccc(Cl)cc21 ZINC001573490592 959022092 /nfs/dbraw/zinc/02/20/92/959022092.db2.gz YIEBJDMALQVTPB-KGLIPLIRSA-N -1 0 310.777 3.617 20 0 DHADRM Cc1ccccc1C[C@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594417720 959022524 /nfs/dbraw/zinc/02/25/24/959022524.db2.gz QERCXPSGSIBMRT-AWEZNQCLSA-N -1 0 312.365 3.615 20 0 DHADRM CC(C)[C@H]1N(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC12CCCCCC2 ZINC001573500628 959057150 /nfs/dbraw/zinc/05/71/50/959057150.db2.gz BENMJLMWWWJIKW-KUHUBIRLSA-N -1 0 321.461 3.695 20 0 DHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC001573501215 959064405 /nfs/dbraw/zinc/06/44/05/959064405.db2.gz WPGPCFAVDSGPJK-ZOWXZIJZSA-N -1 0 323.820 3.654 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001573501182 959064926 /nfs/dbraw/zinc/06/49/26/959064926.db2.gz FZQVCGFQAOJPJP-HNAYVOBHSA-N -1 0 313.397 3.584 20 0 DHADRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588561431 959101383 /nfs/dbraw/zinc/10/13/83/959101383.db2.gz ZOWZXVLCZAADSS-NSHDSACASA-N -1 0 317.772 3.709 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC001594425430 959115346 /nfs/dbraw/zinc/11/53/46/959115346.db2.gz FTZXTUZIFCKRLA-ZJUUUORDSA-N -1 0 307.396 3.558 20 0 DHADRM Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1Cl ZINC000160234161 959140847 /nfs/dbraw/zinc/14/08/47/959140847.db2.gz YHRINBFQOGCHEU-UHFFFAOYSA-N -1 0 303.745 3.907 20 0 DHADRM CC(C)C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001573529708 959159586 /nfs/dbraw/zinc/15/95/86/959159586.db2.gz YBBNHEBGLRSIHA-QGZVFWFLSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)C[C@H](Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC001573539171 959182255 /nfs/dbraw/zinc/18/22/55/959182255.db2.gz AJUDPFZRIVXYQW-QMMMGPOBSA-N -1 0 310.703 3.665 20 0 DHADRM CC(C)C[C@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001573539206 959183057 /nfs/dbraw/zinc/18/30/57/959183057.db2.gz BPOKXEOGUIZKTL-JTQLQIEISA-N -1 0 323.439 3.706 20 0 DHADRM CSc1ccc(Cl)c(-c2nc(C3(C(=O)[O-])CCC3)no2)c1 ZINC001594193867 959183264 /nfs/dbraw/zinc/18/32/64/959183264.db2.gz OIUHFAYSBVXICQ-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM Cc1cocc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594436164 959237972 /nfs/dbraw/zinc/23/79/72/959237972.db2.gz WPAHXOVDPCAZOH-QMMMGPOBSA-N -1 0 319.382 3.725 20 0 DHADRM C[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001594203613 959261427 /nfs/dbraw/zinc/26/14/27/959261427.db2.gz CKVAJGBVCVKIRU-SECBINFHSA-N -1 0 320.295 3.546 20 0 DHADRM C[C@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573577280 959334533 /nfs/dbraw/zinc/33/45/33/959334533.db2.gz SVIQYXRFUCHJCJ-UKRRQHHQSA-N -1 0 305.418 3.576 20 0 DHADRM C[C@@H](CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573577281 959334785 /nfs/dbraw/zinc/33/47/85/959334785.db2.gz SVIQYXRFUCHJCJ-ZFWWWQNUSA-N -1 0 305.418 3.576 20 0 DHADRM C[C@@H](C(=O)[O-])N(c1nc2c(cc(Cl)cc2F)s1)C1CC1 ZINC001588596332 959371450 /nfs/dbraw/zinc/37/14/50/959371450.db2.gz FEFIGLZFEFNQQJ-LURJTMIESA-N -1 0 314.769 3.531 20 0 DHADRM C[C@@H](C(=O)[O-])N(Cc1nc(C2CCCCC2)cs1)C1CC1 ZINC001588597442 959393604 /nfs/dbraw/zinc/39/36/04/959393604.db2.gz QDVJNHAYUYMOAQ-NSHDSACASA-N -1 0 308.447 3.628 20 0 DHADRM C[C@@H]1C[C@H](OC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594229219 959454724 /nfs/dbraw/zinc/45/47/24/959454724.db2.gz BLVADGBUAWKVOW-DOMZBBRYSA-N -1 0 320.385 3.522 20 0 DHADRM Cc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000190616108 959514547 /nfs/dbraw/zinc/51/45/47/959514547.db2.gz AIWJGVNYCYCEHY-HNNXBMFYSA-N -1 0 303.402 3.550 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC000191400094 959558502 /nfs/dbraw/zinc/55/85/02/959558502.db2.gz YXKZFVWGYCVSFO-TZIYXEQSSA-N -1 0 309.365 3.602 20 0 DHADRM Cc1cc(C)cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191400215 959558856 /nfs/dbraw/zinc/55/88/56/959558856.db2.gz FVJMIMIJLKUALS-AWEZNQCLSA-N -1 0 311.381 3.819 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC000191400111 959559126 /nfs/dbraw/zinc/55/91/26/959559126.db2.gz YXKZFVWGYCVSFO-BRADTZPFSA-N -1 0 309.365 3.602 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191427483 959565919 /nfs/dbraw/zinc/56/59/19/959565919.db2.gz UQPGZODIIDBFSE-CYBMUJFWSA-N -1 0 311.381 3.765 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)CCc2cccs2)cc1)C(=O)[O-] ZINC000191441042 959567586 /nfs/dbraw/zinc/56/75/86/959567586.db2.gz CNJSGRUBIQUZFH-LBPRGKRZSA-N -1 0 317.410 3.583 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CC2=CCCCC2)cc1)C(=O)[O-] ZINC000191442886 959568411 /nfs/dbraw/zinc/56/84/11/959568411.db2.gz RPQKTZOXVPXLPC-CYBMUJFWSA-N -1 0 301.386 3.779 20 0 DHADRM C[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc(F)cc(F)c1 ZINC001573635742 959590698 /nfs/dbraw/zinc/59/06/98/959590698.db2.gz MVHHNDLLERORLI-HYYFJVDXSA-N -1 0 322.263 3.574 20 0 DHADRM Cc1ccc(C(C)(C)CN(C)C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000192971461 959600264 /nfs/dbraw/zinc/60/02/64/959600264.db2.gz CVSVJCDESGOOGS-UHFFFAOYSA-N -1 0 319.445 3.622 20 0 DHADRM O=C([O-])c1cccc(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000198560012 959631242 /nfs/dbraw/zinc/63/12/42/959631242.db2.gz DHLZMNCOLPRBNC-HJWRWDBZSA-N -1 0 301.729 3.690 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(Cl)cc1Cl ZINC001588640744 959688259 /nfs/dbraw/zinc/68/82/59/959688259.db2.gz MMKPHKCSKNVTSP-SNVBAGLBSA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC001588640931 959691742 /nfs/dbraw/zinc/69/17/42/959691742.db2.gz RBWDLAWYQWLEFI-SNVBAGLBSA-N -1 0 305.157 3.646 20 0 DHADRM CC(C)(C)/C=C/C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588642901 959708246 /nfs/dbraw/zinc/70/82/46/959708246.db2.gz QSWUUYKEGKNNQM-PLSXKVAHSA-N -1 0 315.413 3.659 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001588643183 959713754 /nfs/dbraw/zinc/71/37/54/959713754.db2.gz NMAYRLARDAZYOS-GXTWGEPZSA-N -1 0 304.390 3.721 20 0 DHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)C1(C(=O)[O-])CCC1 ZINC001594269138 959782547 /nfs/dbraw/zinc/78/25/47/959782547.db2.gz WNFNMGOZBWHZJQ-LLVKDONJSA-N -1 0 302.326 3.600 20 0 DHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573691554 959784341 /nfs/dbraw/zinc/78/43/41/959784341.db2.gz VQJOTRHECFERDR-AGRHKRQWSA-N -1 0 323.392 3.692 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(Cl)c2occc21 ZINC001588654078 960406839 /nfs/dbraw/zinc/40/68/39/960406839.db2.gz UGLBGSDLFAABPA-UHFFFAOYSA-N -1 0 323.776 3.659 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])c1ccc(C(F)(F)F)c(Cl)n1 ZINC001588657069 960416282 /nfs/dbraw/zinc/41/62/82/960416282.db2.gz LHSCXNFPJVJWQU-UHFFFAOYSA-N -1 0 324.730 3.691 20 0 DHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)CCCCC(=O)[O-] ZINC001588658340 960423972 /nfs/dbraw/zinc/42/39/72/960423972.db2.gz DIPKSYMXCMHZDN-UHFFFAOYSA-N -1 0 309.381 3.598 20 0 DHADRM CSc1ccc(Cl)cc1NC(=O)CCCCC(=O)[O-] ZINC001574258068 960552450 /nfs/dbraw/zinc/55/24/50/960552450.db2.gz UBLJNYWOQJSIEV-UHFFFAOYSA-N -1 0 301.795 3.645 20 0 DHADRM CC[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001573758493 960586033 /nfs/dbraw/zinc/58/60/33/960586033.db2.gz LKRZEJCUFVNZMM-CQSZACIVSA-N -1 0 313.353 3.526 20 0 DHADRM CCC(C)(C)C1CCC(CC(=O)Nc2n[nH]cc2C(=O)[O-])CC1 ZINC001573768075 960634905 /nfs/dbraw/zinc/63/49/05/960634905.db2.gz MIQVANDHOURDIX-UHFFFAOYSA-N -1 0 321.421 3.679 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1F ZINC000236464752 960640014 /nfs/dbraw/zinc/64/00/14/960640014.db2.gz AFJPFYQIKRMQKK-UHFFFAOYSA-N -1 0 311.671 3.569 20 0 DHADRM CC[C@H](CC(=O)Nc1cccnc1C(=O)[O-])c1ccc(C)cc1 ZINC001573776411 960687797 /nfs/dbraw/zinc/68/77/97/960687797.db2.gz QCYQWOBWBONIEQ-CYBMUJFWSA-N -1 0 312.369 3.611 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC001573776470 960689639 /nfs/dbraw/zinc/68/96/39/960689639.db2.gz RLUASQNBCXRKGA-ZDUSSCGKSA-N -1 0 323.458 3.517 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC001573778207 960710826 /nfs/dbraw/zinc/71/08/26/960710826.db2.gz VNDSVJWVRMLGHE-INIZCTEOSA-N -1 0 319.445 3.509 20 0 DHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574306353 960738829 /nfs/dbraw/zinc/73/88/29/960738829.db2.gz HEIAMKJPYPJWNX-JKSUJKDBSA-N -1 0 309.365 3.711 20 0 DHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)C(C)(C)C ZINC001261627197 960750036 /nfs/dbraw/zinc/75/00/36/960750036.db2.gz QNFBTDWVJFNBEI-NRMKIYEFSA-N -1 0 303.402 3.619 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(C)(C)c3ccccc32)c1 ZINC001574314822 960775487 /nfs/dbraw/zinc/77/54/87/960775487.db2.gz BJILKXITSCSIHG-UHFFFAOYSA-N -1 0 309.365 3.631 20 0 DHADRM CCCCC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000236857019 960777504 /nfs/dbraw/zinc/77/75/04/960777504.db2.gz QBSRMBYJBKXFLI-QWHCGFSZSA-N -1 0 311.447 3.987 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2ccc3ccccc3n2)c1 ZINC001574315657 960783713 /nfs/dbraw/zinc/78/37/13/960783713.db2.gz RGDSRNNBMZDAQZ-UHFFFAOYSA-N -1 0 320.348 3.518 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@H](c1ccccc1)C(C)C ZINC000236897913 960791831 /nfs/dbraw/zinc/79/18/31/960791831.db2.gz ADEAFMSKFSLMIZ-HOCLYGCPSA-N -1 0 305.418 3.528 20 0 DHADRM O=C([O-])CC1CC(Nc2cccc(C3SCCS3)c2)C1 ZINC001262158538 960795032 /nfs/dbraw/zinc/79/50/32/960795032.db2.gz OSCCYGQQHHVUNR-UHFFFAOYSA-N -1 0 309.456 3.830 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000236962503 960812485 /nfs/dbraw/zinc/81/24/85/960812485.db2.gz RRDKVLWHQDLSQY-LLVKDONJSA-N -1 0 307.733 3.512 20 0 DHADRM Cc1cc(C(C)(C)C)ccc1OC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001574320053 960824068 /nfs/dbraw/zinc/82/40/68/960824068.db2.gz ZSFDKPAJSDNZJI-SFHVURJKSA-N -1 0 304.386 3.699 20 0 DHADRM Cc1cc2sc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc2c(C)c1 ZINC001574321992 960827990 /nfs/dbraw/zinc/82/79/90/960827990.db2.gz IEVSVBVZOWLSDM-NSHDSACASA-N -1 0 320.414 3.599 20 0 DHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000237087069 960867260 /nfs/dbraw/zinc/86/72/60/960867260.db2.gz MGVWEFBCKWNIOZ-UHFFFAOYSA-N -1 0 305.333 3.815 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000237384033 960922868 /nfs/dbraw/zinc/92/28/68/960922868.db2.gz GYUMYAASTVBPHK-SNVBAGLBSA-N -1 0 319.357 3.643 20 0 DHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001319329018 960941571 /nfs/dbraw/zinc/94/15/71/960941571.db2.gz TXLSNCWEGDAAOU-UHFFFAOYSA-N -1 0 320.348 3.941 20 0 DHADRM CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319406237 960943503 /nfs/dbraw/zinc/94/35/03/960943503.db2.gz CJZALRVNGALWEW-CQSZACIVSA-N -1 0 317.410 3.565 20 0 DHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc2ccccc21 ZINC000237513069 960950074 /nfs/dbraw/zinc/95/00/74/960950074.db2.gz YFSXHQYFQYJSPO-CYBMUJFWSA-N -1 0 313.397 3.908 20 0 DHADRM Cc1cc(NCc2cnc3ccc(Cl)cn23)ccc1C(=O)[O-] ZINC001574343454 960953851 /nfs/dbraw/zinc/95/38/51/960953851.db2.gz WZEHSDHORJDZCH-UHFFFAOYSA-N -1 0 315.760 3.606 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000237562391 960962102 /nfs/dbraw/zinc/96/21/02/960962102.db2.gz BXHYSZJPZDWUMR-PMPSAXMXSA-N -1 0 323.477 3.942 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000237582882 960967964 /nfs/dbraw/zinc/96/79/64/960967964.db2.gz BXHYSZJPZDWUMR-OWCLPIDISA-N -1 0 323.477 3.942 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237607530 960971560 /nfs/dbraw/zinc/97/15/60/960971560.db2.gz ISVAIXBWNLVRQX-GFCCVEGCSA-N -1 0 323.820 3.521 20 0 DHADRM Cc1ccc(SCCC(=O)NCCCCCC(=O)[O-])cc1C ZINC000237618316 960976263 /nfs/dbraw/zinc/97/62/63/960976263.db2.gz BOZARMOOCAVWPT-UHFFFAOYSA-N -1 0 323.458 3.547 20 0 DHADRM Cc1ccc(CCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237699553 960999894 /nfs/dbraw/zinc/99/98/94/960999894.db2.gz BYKYFUMPYHWGSL-UHFFFAOYSA-N -1 0 311.381 3.963 20 0 DHADRM Cc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])c(F)c1F ZINC001574356876 961004923 /nfs/dbraw/zinc/00/49/23/961004923.db2.gz HUUZBQBLVRCJRV-UHFFFAOYSA-N -1 0 305.280 3.532 20 0 DHADRM Cc1ccc(C(F)(F)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001574359402 961013517 /nfs/dbraw/zinc/01/35/17/961013517.db2.gz GBTMGYVNKZDAQF-UHFFFAOYSA-N -1 0 319.307 3.732 20 0 DHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000109602370 1013221021 /nfs/dbraw/zinc/22/10/21/1013221021.db2.gz SHZVHNATNKZGKI-LLVKDONJSA-N -1 0 301.773 3.885 20 0 DHADRM Cc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001574367479 961050612 /nfs/dbraw/zinc/05/06/12/961050612.db2.gz IOFWLFNBNXQFFD-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@@H](C)c1ccccc1OC ZINC001573848596 961110721 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CCCOc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001573862440 961180204 /nfs/dbraw/zinc/18/02/04/961180204.db2.gz VCBAHGYQCSELAD-UHFFFAOYSA-N -1 0 317.316 3.565 20 0 DHADRM CCCc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001573864995 961189132 /nfs/dbraw/zinc/18/91/32/961189132.db2.gz QYWYBZBRHNVJOM-UHFFFAOYSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CC(C2CC2)C2CC2)c1 ZINC001328659261 961219987 /nfs/dbraw/zinc/21/99/87/961219987.db2.gz HXVHPKMDRAXHCJ-LLVKDONJSA-N -1 0 301.386 3.640 20 0 DHADRM Cc1cccc(Cl)c1COC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574398107 961222314 /nfs/dbraw/zinc/22/23/14/961222314.db2.gz DGCHAKREXKEQDO-CQSZACIVSA-N -1 0 310.777 3.583 20 0 DHADRM Cc1cccc2sc(N[C@H](Cc3ccccc3)C(=O)[O-])nc21 ZINC001574402391 961242539 /nfs/dbraw/zinc/24/25/39/961242539.db2.gz IOADECKZXRVILQ-CYBMUJFWSA-N -1 0 312.394 3.713 20 0 DHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c1 ZINC001574412851 961305928 /nfs/dbraw/zinc/30/59/28/961305928.db2.gz 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O=C([O-])c1ccc(CNC(=O)/C=C/C2CCCCCC2)cc1 ZINC001605659842 974054580 /nfs/dbraw/zinc/05/45/80/974054580.db2.gz NJTRGMMGQOFVFN-FMIVXFBMSA-N -1 0 301.386 3.528 20 0 DHADRM CCCOc1ccc(NC(=O)N[C@H](CC)C(=O)[O-])cc1C(C)C ZINC001603680298 974071921 /nfs/dbraw/zinc/07/19/21/974071921.db2.gz LKHKDJGPLJFMGO-CQSZACIVSA-N -1 0 322.405 3.584 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCCCc1cccs1 ZINC000442745954 974118295 /nfs/dbraw/zinc/11/82/95/974118295.db2.gz XNHWWCSJYFTMNZ-ZDUSSCGKSA-N -1 0 311.447 3.563 20 0 DHADRM CCCC[C@H](CC)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000485997756 974242869 /nfs/dbraw/zinc/24/28/69/974242869.db2.gz BISXHUMTPGJSBX-KBXCAEBGSA-N -1 0 317.429 3.804 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000656236875 1014178759 /nfs/dbraw/zinc/17/87/59/1014178759.db2.gz XDIJVNSQGBSPDV-GOEBONIOSA-N -1 0 303.402 3.631 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000515062535 974296626 /nfs/dbraw/zinc/29/66/26/974296626.db2.gz 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C[C@H](C1CC1)n1cc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592180374 977092186 /nfs/dbraw/zinc/09/21/86/977092186.db2.gz AICMMKFKDKJQQN-MEBBXXQBSA-N -1 0 319.792 3.745 20 0 DHADRM C[C@H](C1CC1)n1cc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC001592181976 977114491 /nfs/dbraw/zinc/11/44/91/977114491.db2.gz UOCQFDFIBFZIHD-MEBBXXQBSA-N -1 0 319.792 3.745 20 0 DHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)C1(C2CCCCC2)CCCCC1 ZINC001592195594 977181936 /nfs/dbraw/zinc/18/19/36/977181936.db2.gz WXBGCCJSHWSZJZ-BMSUMIBZSA-N -1 0 307.434 3.663 20 0 DHADRM C[C@@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C ZINC001592240082 977452258 /nfs/dbraw/zinc/45/22/58/977452258.db2.gz LJDWGUIZJBPXDV-PMUMKWKESA-N -1 0 309.450 3.552 20 0 DHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)CC(C)(C)C ZINC001592242337 977459327 /nfs/dbraw/zinc/45/93/27/977459327.db2.gz DINWATNFIXONJO-VXGBXAGGSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)C1CCCCC1 ZINC001592245380 977470390 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C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001592381512 977918926 /nfs/dbraw/zinc/91/89/26/977918926.db2.gz HSFYKYOPEKFFGZ-NJZAAPMLSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001592382154 977923662 /nfs/dbraw/zinc/92/36/62/977923662.db2.gz ZDMOYCVGYVCCIV-NJZAAPMLSA-N -1 0 323.820 3.593 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001592385413 977928466 /nfs/dbraw/zinc/92/84/66/977928466.db2.gz STHMBTPDFWUEIG-USXIJHARSA-N -1 0 317.429 3.578 20 0 DHADRM CCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000684110307 1014446647 /nfs/dbraw/zinc/44/66/47/1014446647.db2.gz VZZQJDHNULGPDJ-CZUORRHYSA-N -1 0 321.417 3.544 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1c(F)cccc1Br ZINC001592422148 978035610 /nfs/dbraw/zinc/03/56/10/978035610.db2.gz MBBMRGNACJYEJE-SSDOTTSWSA-N -1 0 307.184 3.685 20 0 DHADRM C[C@H](CC(=O)[O-])c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC001592424408 978045438 /nfs/dbraw/zinc/04/54/38/978045438.db2.gz RDSGTWNLLZDKRA-SECBINFHSA-N -1 0 308.765 3.627 20 0 DHADRM C[C@H](CC(=O)[O-])c1ccc(-c2ccc3c(c2)COC(=O)N3)cc1 ZINC001592424900 978048838 /nfs/dbraw/zinc/04/88/38/978048838.db2.gz ZLJAOFLNHZLLAE-LLVKDONJSA-N -1 0 311.337 3.994 20 0 DHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592434330 978073176 /nfs/dbraw/zinc/07/31/76/978073176.db2.gz XDVAOVMZTOHPIK-LBPRGKRZSA-N -1 0 316.328 3.761 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@@H](c1nccs1)C(F)(F)F ZINC001592443715 978098534 /nfs/dbraw/zinc/09/85/34/978098534.db2.gz CQCNIYDNCQTINS-WPRPVWTQSA-N -1 0 324.368 3.616 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001592465293 978205771 /nfs/dbraw/zinc/20/57/71/978205771.db2.gz CXYBEGBHDKIGBR-GHMZBOCLSA-N -1 0 309.362 3.584 20 0 DHADRM C[C@@H](CC1CCCCC1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001592466224 978211356 /nfs/dbraw/zinc/21/13/56/978211356.db2.gz SISXBMHWHXPRCO-AWEZNQCLSA-N -1 0 317.429 3.536 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592466252 978211402 /nfs/dbraw/zinc/21/14/02/978211402.db2.gz UASWUHUVEMPWQN-GFCCVEGCSA-N -1 0 322.376 3.965 20 0 DHADRM C[C@@H](CCC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001592469992 978216528 /nfs/dbraw/zinc/21/65/28/978216528.db2.gz DKJUIMWNZKYOHE-LBPRGKRZSA-N -1 0 313.353 3.613 20 0 DHADRM C[C@@H](CCC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001592471233 978230500 /nfs/dbraw/zinc/23/05/00/978230500.db2.gz QUNZJWCBZBIGHH-HNNXBMFYSA-N -1 0 317.429 3.722 20 0 DHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001592476919 978238258 /nfs/dbraw/zinc/23/82/58/978238258.db2.gz CGAPCHKVLOGJRJ-VXGBXAGGSA-N -1 0 311.447 3.843 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592477537 978244532 /nfs/dbraw/zinc/24/45/32/978244532.db2.gz MEBHXMYJLBXMJN-GFCCVEGCSA-N -1 0 321.421 3.594 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592478117 978248852 /nfs/dbraw/zinc/24/88/52/978248852.db2.gz RNXWPYQXYIOUFX-WTNCMQEWSA-N -1 0 319.401 3.856 20 0 DHADRM C[C@H](CCC(C)(C)C)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592478275 978251494 /nfs/dbraw/zinc/25/14/94/978251494.db2.gz SQTBQKIFGZBRHE-FRIZHTMISA-N -1 0 317.429 3.576 20 0 DHADRM C[C@@H](CCCC(F)(F)F)OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592484686 978258204 /nfs/dbraw/zinc/25/82/04/978258204.db2.gz DTJRENRQAVOGOG-MOVJSRMASA-N -1 0 320.263 3.655 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C(=O)[O-] ZINC000389365596 1014471822 /nfs/dbraw/zinc/47/18/22/1014471822.db2.gz VVYXJHWKXFOGCS-LEWSCRJBSA-N -1 0 303.402 3.556 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccs1)c1ccccc1 ZINC000736850513 978362165 /nfs/dbraw/zinc/36/21/65/978362165.db2.gz WVHSFPHASAKHIU-JSGCOSHPSA-N -1 0 317.410 3.748 20 0 DHADRM C[C@@H](CCSc1ccccc1)OC(=O)C(C)(C)CC(=O)[O-] ZINC001592537336 978411985 /nfs/dbraw/zinc/41/19/85/978411985.db2.gz JSEQZNNUTMXVFH-LBPRGKRZSA-N -1 0 310.415 3.601 20 0 DHADRM C[C@H](CCSc1ccccc1)OC(=O)C(C)(C)CC(=O)[O-] ZINC001592537334 978412174 /nfs/dbraw/zinc/41/21/74/978412174.db2.gz JSEQZNNUTMXVFH-GFCCVEGCSA-N -1 0 310.415 3.601 20 0 DHADRM Cc1cc(NC(=S)Nc2ccccc2F)sc1C(=O)[O-] ZINC000738453110 978540239 /nfs/dbraw/zinc/54/02/39/978540239.db2.gz WZCLCAYGRKHKAV-UHFFFAOYSA-N -1 0 310.375 3.703 20 0 DHADRM Cc1ccc(CCCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738589831 978569837 /nfs/dbraw/zinc/56/98/37/978569837.db2.gz XWZOJMMLLCJPRH-UHFFFAOYSA-N -1 0 312.365 3.930 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccccc1Cl ZINC000761649018 978713596 /nfs/dbraw/zinc/71/35/96/978713596.db2.gz IPYYIIZJCCYRNY-SLWQEBJJSA-N -1 0 309.793 3.503 20 0 DHADRM CCC(CC)(CNC(=O)/C(C)=C\c1ccccc1Cl)C(=O)[O-] ZINC000761924262 978716272 /nfs/dbraw/zinc/71/62/72/978716272.db2.gz SBYVZLOKXYVDBF-BENRWUELSA-N -1 0 323.820 3.751 20 0 DHADRM C/C(=C/C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC000766897576 978728285 /nfs/dbraw/zinc/72/82/85/978728285.db2.gz CYCHAYMAEFTDRA-KHPPLWFESA-N -1 0 313.328 3.874 20 0 DHADRM CCCCCCOc1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1 ZINC000767037077 978732238 /nfs/dbraw/zinc/73/22/38/978732238.db2.gz WCXYMLZVBUQHGP-UHFFFAOYSA-N -1 0 321.417 3.629 20 0 DHADRM CCCCC[C@@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000767039420 978732284 /nfs/dbraw/zinc/73/22/84/978732284.db2.gz RNDPNBVJVPSFKC-RDTXWAMCSA-N -1 0 317.429 3.804 20 0 DHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000767057555 978732502 /nfs/dbraw/zinc/73/25/02/978732502.db2.gz CZHAHWOXMWEADN-ACCUITESSA-N -1 0 319.376 3.523 20 0 DHADRM CC(C)CCCCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000767200167 978736541 /nfs/dbraw/zinc/73/65/41/978736541.db2.gz SWNYROYZWYJAIU-MRXNPFEDSA-N -1 0 305.418 3.578 20 0 DHADRM Cc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)[nH]1 ZINC000776619693 978760204 /nfs/dbraw/zinc/76/02/04/978760204.db2.gz HKSWZKNSHXGFDB-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CCCCC[C@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000799251549 978840858 /nfs/dbraw/zinc/84/08/58/978840858.db2.gz GFXCQABWFDYFOU-HNAYVOBHSA-N -1 0 319.445 3.752 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817631 978861875 /nfs/dbraw/zinc/86/18/75/978861875.db2.gz XGMKWXPMIWUXRQ-JRPNMDOOSA-N -1 0 321.804 3.831 20 0 DHADRM CC(C)C1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000811821691 978865873 /nfs/dbraw/zinc/86/58/73/978865873.db2.gz NCEVLUJXUHSFCC-UHFFFAOYSA-N -1 0 309.793 3.546 20 0 DHADRM CC(C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)=C1CCCC1 ZINC000825971769 978943343 /nfs/dbraw/zinc/94/33/43/978943343.db2.gz FRPGSCYDVGORNC-UHFFFAOYSA-N -1 0 321.804 3.644 20 0 DHADRM C[C@@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(F)(F)F ZINC000826013560 978943844 /nfs/dbraw/zinc/94/38/44/978943844.db2.gz MGUKDCAGQZBUMG-QMMMGPOBSA-N -1 0 311.259 3.675 20 0 DHADRM CC(C)CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000826841211 978949901 /nfs/dbraw/zinc/94/99/01/978949901.db2.gz XFUKBGFAARKORH-UHFFFAOYSA-N -1 0 304.390 3.675 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826861167 978950363 /nfs/dbraw/zinc/95/03/63/978950363.db2.gz PSEGTTJHGZFKEW-MRXNPFEDSA-N -1 0 318.417 3.650 20 0 DHADRM C[C@@H](CCC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000828061753 978968436 /nfs/dbraw/zinc/96/84/36/978968436.db2.gz KHUUDMZSFXTNBK-AWEZNQCLSA-N -1 0 323.392 3.858 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000828200403 978975547 /nfs/dbraw/zinc/97/55/47/978975547.db2.gz FZUYGMWKUQOUKZ-OQZOHAQUSA-N -1 0 317.385 3.857 20 0 DHADRM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(C(=O)[O-])ccc3Cl)C2)C1 ZINC000828248957 978977257 /nfs/dbraw/zinc/97/72/57/978977257.db2.gz UDODGBUWKOICLN-APPDUMDISA-N -1 0 321.804 3.691 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)s1 ZINC000833096865 979080780 /nfs/dbraw/zinc/08/07/80/979080780.db2.gz VKLREYFWYKDVTO-UPHRSURJSA-N -1 0 305.330 3.627 20 0 DHADRM CC[C@@H](C)n1nc(NCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001595023901 979120497 /nfs/dbraw/zinc/12/04/97/979120497.db2.gz MUCBWJKDPOESKT-SNVBAGLBSA-N -1 0 305.353 3.612 20 0 DHADRM CC[C@@H](C)n1ncc(NCc2cc(C(=O)[O-])c(C)[nH]2)c1C1CC1 ZINC001595026307 979134739 /nfs/dbraw/zinc/13/47/39/979134739.db2.gz GSNTZVSTHJSFEY-SNVBAGLBSA-N -1 0 316.405 3.678 20 0 DHADRM CC[C@H](C)n1ncc(NCc2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC001595027301 979141686 /nfs/dbraw/zinc/14/16/86/979141686.db2.gz RKULYLINBRIPOX-JTQLQIEISA-N -1 0 317.389 3.943 20 0 DHADRM CC[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001595030530 979167971 /nfs/dbraw/zinc/16/79/71/979167971.db2.gz QYYDTJGYKYBJMG-OAHLLOKOSA-N -1 0 317.429 3.735 20 0 DHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C(C)(C)C ZINC001595033629 979176380 /nfs/dbraw/zinc/17/63/80/979176380.db2.gz OHJXBJSCNBHOHB-UKRRQHHQSA-N -1 0 323.408 3.920 20 0 DHADRM CC[C@@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C(C)(C)C ZINC001595033655 979177672 /nfs/dbraw/zinc/17/76/72/979177672.db2.gz OVGUIFPJDMZWRS-CABCVRRESA-N -1 0 311.466 3.846 20 0 DHADRM CC[C@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001595034032 979180229 /nfs/dbraw/zinc/18/02/29/979180229.db2.gz XJLUWACYMJGFTL-UKRRQHHQSA-N -1 0 305.418 3.576 20 0 DHADRM CC[C@H](CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595033975 979180285 /nfs/dbraw/zinc/18/02/85/979180285.db2.gz WQUBHAGZRMPMRK-OIISXLGYSA-N -1 0 319.445 3.507 20 0 DHADRM CC[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595035317 979183056 /nfs/dbraw/zinc/18/30/56/979183056.db2.gz CJMLUHSMUJZXEX-GOEBONIOSA-N -1 0 305.418 3.618 20 0 DHADRM CC[C@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)C(C)(C)C ZINC001595035762 979187444 /nfs/dbraw/zinc/18/74/44/979187444.db2.gz KDIRAFWBZGYUML-GFCCVEGCSA-N -1 0 321.417 3.819 20 0 DHADRM CC[C@H](CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)C ZINC001595036963 979201137 /nfs/dbraw/zinc/20/11/37/979201137.db2.gz KLWXIOQPRJODST-LLVKDONJSA-N -1 0 302.374 3.877 20 0 DHADRM CC[C@H](CC(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC)C(C)C ZINC001595037016 979202074 /nfs/dbraw/zinc/20/20/74/979202074.db2.gz NEXZJXWJPWOICJ-RCQQVGEISA-N -1 0 320.385 3.771 20 0 DHADRM CC[C@@H](CC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1)C(C)C ZINC001595037180 979204105 /nfs/dbraw/zinc/20/41/05/979204105.db2.gz RTTRFLQECRJDIP-JTQLQIEISA-N -1 0 312.435 3.976 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1nccc2ccccc21 ZINC001595045318 979252107 /nfs/dbraw/zinc/25/21/07/979252107.db2.gz JZLHJWFAYDXKQJ-UHFFFAOYSA-N -1 0 317.410 3.787 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC001595049813 979276593 /nfs/dbraw/zinc/27/65/93/979276593.db2.gz GGWQQPYKOSNHRK-GFCCVEGCSA-N -1 0 322.405 3.549 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000840994500 979292464 /nfs/dbraw/zinc/29/24/64/979292464.db2.gz YGLYSFLMLISCJU-UHFFFAOYSA-N -1 0 307.365 3.812 20 0 DHADRM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000841481301 979299654 /nfs/dbraw/zinc/29/96/54/979299654.db2.gz AAYMARAHLIJNGC-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595057947 979304667 /nfs/dbraw/zinc/30/46/67/979304667.db2.gz VKRIPTNMNRQDFS-CYBMUJFWSA-N -1 0 321.417 3.544 20 0 DHADRM CCC(CC)(CCOC(=O)c1cccc(C(C)C)n1)C(=O)[O-] ZINC001595059717 979309385 /nfs/dbraw/zinc/30/93/85/979309385.db2.gz MHZFVCNIKVIVEA-UHFFFAOYSA-N -1 0 307.390 3.643 20 0 DHADRM C[C@H](COC(=O)c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001592771165 979385349 /nfs/dbraw/zinc/38/53/49/979385349.db2.gz BFOMMFFTXQKXIU-SECBINFHSA-N -1 0 308.717 3.592 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595105474 979423302 /nfs/dbraw/zinc/42/33/02/979423302.db2.gz AIHSGCVRSQFURG-QWHCGFSZSA-N -1 0 305.418 3.961 20 0 DHADRM CCC(CC)[C@@H](CCNc1nc(Cl)c(C(=O)[O-])s1)OC ZINC001595106455 979432485 /nfs/dbraw/zinc/43/24/85/979432485.db2.gz NUKFQEPBBAAZEC-SECBINFHSA-N -1 0 320.842 3.748 20 0 DHADRM CCC(CC)CCCN(C)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001595110111 979452576 /nfs/dbraw/zinc/45/25/76/979452576.db2.gz YXVVFYXOLPRVJR-UHFFFAOYSA-N -1 0 308.422 3.618 20 0 DHADRM CCC(CC)N(CC(C)C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595114392 979463796 /nfs/dbraw/zinc/46/37/96/979463796.db2.gz IZXMKWNYAISGHZ-UHFFFAOYSA-N -1 0 305.418 3.601 20 0 DHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCC(=O)[O-] ZINC000581130721 1014580392 /nfs/dbraw/zinc/58/03/92/1014580392.db2.gz ULIGVCUQJZBDGF-UHFFFAOYSA-N -1 0 311.809 3.724 20 0 DHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CCCCCCC1 ZINC000851594856 979507261 /nfs/dbraw/zinc/50/72/61/979507261.db2.gz MBKNDPBGBWWWIK-BENRWUELSA-N -1 0 305.374 3.562 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595125929 979513044 /nfs/dbraw/zinc/51/30/44/979513044.db2.gz PLWDGXSRMZXBOX-ZDUSSCGKSA-N -1 0 304.390 3.633 20 0 DHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000852831469 979583132 /nfs/dbraw/zinc/58/31/32/979583132.db2.gz SQVIXHCOCPIIHL-SNVBAGLBSA-N -1 0 319.357 3.643 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1)C(=O)[O-] ZINC001592858862 979677822 /nfs/dbraw/zinc/67/78/22/979677822.db2.gz WIUOMYCHWZKZEJ-WBMJQRKESA-N -1 0 315.344 3.599 20 0 DHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C=C2CCC2)cc1 ZINC000864117980 979711488 /nfs/dbraw/zinc/71/14/88/979711488.db2.gz RVFWPKRYYHVQQG-MRXNPFEDSA-N -1 0 315.413 3.726 20 0 DHADRM CSCCCCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000864137898 979741164 /nfs/dbraw/zinc/74/11/64/979741164.db2.gz NVAXYSAIRKCCBN-AWEZNQCLSA-N -1 0 321.442 3.515 20 0 DHADRM CC[C@@H](CNc1ccc(OCC(=O)[O-])cc1C)CC(F)F ZINC001595172954 979747618 /nfs/dbraw/zinc/74/76/18/979747618.db2.gz VJNAXZGNIBIPSC-LLVKDONJSA-N -1 0 301.333 3.552 20 0 DHADRM CC[C@H](CNc1nc(C(=O)[O-])c(C)s1)Oc1cccc(F)c1 ZINC001595173010 979748454 /nfs/dbraw/zinc/74/84/54/979748454.db2.gz XCURAKSXQYUNFF-LLVKDONJSA-N -1 0 324.377 3.558 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000864156712 979768387 /nfs/dbraw/zinc/76/83/87/979768387.db2.gz AUCKXUBDKUTGIR-CYBMUJFWSA-N -1 0 303.402 3.734 20 0 DHADRM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592885498 979769934 /nfs/dbraw/zinc/76/99/34/979769934.db2.gz 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ZINC000864229533 979924296 /nfs/dbraw/zinc/92/42/96/979924296.db2.gz MFMPMUMLRREHMX-MRXNPFEDSA-N -1 0 301.386 3.518 20 0 DHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595211369 979991775 /nfs/dbraw/zinc/99/17/75/979991775.db2.gz SZNZCVKZBNUIPK-HZPDHXFCSA-N -1 0 319.445 3.569 20 0 DHADRM CC(F)(F)C1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001592936239 979999739 /nfs/dbraw/zinc/99/97/39/979999739.db2.gz RRLGUCQHRPBXHU-UHFFFAOYSA-N -1 0 321.682 3.551 20 0 DHADRM CC(F)(F)CCC(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001592939023 980003593 /nfs/dbraw/zinc/00/35/93/980003593.db2.gz LVQATYZNERMBJK-UHFFFAOYSA-N -1 0 306.692 3.517 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001592944045 980019076 /nfs/dbraw/zinc/01/90/76/980019076.db2.gz HETQIZDDIRZVPY-AAEUAGOBSA-N -1 0 312.312 3.599 20 0 DHADRM CC(F)(F)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001592944046 980019267 /nfs/dbraw/zinc/01/92/67/980019267.db2.gz HETQIZDDIRZVPY-DGCLKSJQSA-N -1 0 312.312 3.599 20 0 DHADRM CC[C@](NC(=O)[C@@H]1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237819 980150618 /nfs/dbraw/zinc/15/06/18/980150618.db2.gz WFJWYERCWMZHOA-SUMWQHHRSA-N -1 0 323.820 3.582 20 0 DHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H]1CC1(C)C ZINC001595252951 980225208 /nfs/dbraw/zinc/22/52/08/980225208.db2.gz SJZFTPKLPPDVGQ-STQMWFEESA-N -1 0 304.390 3.639 20 0 DHADRM CC[C@@](NC(=O)c1cccc(C2CC2)c1)(C(=O)[O-])c1ccccc1 ZINC001595270823 980287816 /nfs/dbraw/zinc/28/78/16/980287816.db2.gz SKRKAFUWGXKVBV-FQEVSTJZSA-N -1 0 323.392 3.684 20 0 DHADRM C[C@H](CCc1cccnc1)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000901513441 980329780 /nfs/dbraw/zinc/32/97/80/980329780.db2.gz VCNVUTQVMURIDE-CQSZACIVSA-N -1 0 312.413 3.877 20 0 DHADRM O=C([O-])c1c[nH]c2cc(N[C@@H]3CCOC4(CCCC4)C3)ccc21 ZINC000901541379 980369691 /nfs/dbraw/zinc/36/96/91/980369691.db2.gz WATWDQDBSBAZQD-CYBMUJFWSA-N -1 0 314.385 3.770 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@](F)(c2ccccc2)C1 ZINC000901545042 980373601 /nfs/dbraw/zinc/37/36/01/980373601.db2.gz YELLDEGPXLCUKR-SFHVURJKSA-N -1 0 317.360 3.747 20 0 DHADRM CC[C@@](NC/C(Cl)=C/Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595289281 980377844 /nfs/dbraw/zinc/37/78/44/980377844.db2.gz IECWYHATPJEZLE-YLBKJLTLSA-N -1 0 322.619 3.939 20 0 DHADRM CC(C)(C)c1ncc(CNCc2ccc(C(=O)[O-])cc2F)s1 ZINC000901758399 980489785 /nfs/dbraw/zinc/48/97/85/980489785.db2.gz MCUYVOAOZPMPPR-UHFFFAOYSA-N -1 0 322.405 3.568 20 0 DHADRM CC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(OC)cc1 ZINC001595317229 980490284 /nfs/dbraw/zinc/49/02/84/980490284.db2.gz OLFVMSJDYDYCCN-HNNXBMFYSA-N -1 0 300.358 3.660 20 0 DHADRM O=C([O-])c1cccc2c1C[N@H+](CCc1cccc(Cl)c1)CC2 ZINC000901779951 980511012 /nfs/dbraw/zinc/51/10/12/980511012.db2.gz WMTVFFRNYIBBAX-UHFFFAOYSA-N -1 0 315.800 3.639 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000901813227 980534376 /nfs/dbraw/zinc/53/43/76/980534376.db2.gz CETXWHUJIVZITG-GFCCVEGCSA-N -1 0 316.376 3.692 20 0 DHADRM CCn1nc(CNc2cccc([C@H](C)C(=O)[O-])c2)c2ccccc21 ZINC000901817529 980537329 /nfs/dbraw/zinc/53/73/29/980537329.db2.gz SKIWNGJCEFTRJE-ZDUSSCGKSA-N -1 0 323.396 3.856 20 0 DHADRM Cc1cc([C@H](NCc2ncc(C(C)C)s2)C(=O)[O-])ccc1F ZINC000901842610 980562738 /nfs/dbraw/zinc/56/27/38/980562738.db2.gz KWOWTAADWKNQEU-HNNXBMFYSA-N -1 0 322.405 3.630 20 0 DHADRM CC[C@H](OC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001595331858 980575752 /nfs/dbraw/zinc/57/57/52/980575752.db2.gz LZKAAXJBBGGWHE-HNNXBMFYSA-N -1 0 300.354 3.524 20 0 DHADRM CC[C@@H](OC(=O)C1(C(F)(F)F)CCCCC1)[C@@H](C)C(=O)[O-] ZINC001595334993 980586507 /nfs/dbraw/zinc/58/65/07/980586507.db2.gz HJKNUYRMNOGFLX-NXEZZACHSA-N -1 0 310.312 3.542 20 0 DHADRM CC[C@@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001595336968 980597201 /nfs/dbraw/zinc/59/72/01/980597201.db2.gz MMCLEEMNMXPVIW-XVJNWHFHSA-N -1 0 300.310 3.686 20 0 DHADRM CC(C)[C@@H]1C[C@@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CS1 ZINC000901948417 980645184 /nfs/dbraw/zinc/64/51/84/980645184.db2.gz WVUGLUPVFCYSCA-QXSJWSMHSA-N -1 0 305.443 3.817 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595348738 980648575 /nfs/dbraw/zinc/64/85/75/980648575.db2.gz YYLDAZACJORQLG-JYJNAYRXSA-N -1 0 304.386 3.880 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001595359172 980739074 /nfs/dbraw/zinc/73/90/74/980739074.db2.gz QRRFPGGASFZSIU-LBPRGKRZSA-N -1 0 321.423 3.956 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(COCC2CC2)c1 ZINC000902182827 980772678 /nfs/dbraw/zinc/77/26/78/980772678.db2.gz QVLLRTAQSDSIJT-UHFFFAOYSA-N -1 0 315.369 3.825 20 0 DHADRM CC(C)OCc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902183615 980772735 /nfs/dbraw/zinc/77/27/35/980772735.db2.gz XYNHZXKDIZQXPJ-FRFSOERESA-N -1 0 305.418 3.913 20 0 DHADRM CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC001595363864 980787570 /nfs/dbraw/zinc/78/75/70/980787570.db2.gz KUQRNRDKQREWMR-OAHLLOKOSA-N -1 0 317.385 3.878 20 0 DHADRM Cc1ccc(NCCC(C)(C)C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902238162 980795394 /nfs/dbraw/zinc/79/53/94/980795394.db2.gz GPCBDCRJBFIPAY-UHFFFAOYSA-N -1 0 320.433 3.892 20 0 DHADRM CCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCCC1 ZINC001595365026 980800359 /nfs/dbraw/zinc/80/03/59/980800359.db2.gz HCNOMEMEGHKZPB-AWEZNQCLSA-N -1 0 315.413 3.952 20 0 DHADRM Cc1oc(CNC2(c3ccc(F)cc3F)CCC2)cc1C(=O)[O-] ZINC000902316459 980829773 /nfs/dbraw/zinc/82/97/73/980829773.db2.gz RYZRMFUBHRUMCE-UHFFFAOYSA-N -1 0 321.323 3.733 20 0 DHADRM CSCCc1ccccc1NCc1cc(C(=O)[O-])c(C)o1 ZINC000902336812 980838197 /nfs/dbraw/zinc/83/81/97/980838197.db2.gz PQCKARCQSCNDIU-UHFFFAOYSA-N -1 0 305.399 3.804 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(C2CCOCC2)c1 ZINC000902396062 980869621 /nfs/dbraw/zinc/86/96/21/980869621.db2.gz FWTWYQNVZCXOLR-UHFFFAOYSA-N -1 0 315.369 3.792 20 0 DHADRM Cc1cccc([C@H](C)CN=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000581301767 1014689666 /nfs/dbraw/zinc/68/96/66/1014689666.db2.gz DTTYLONNRBFMFG-SECBINFHSA-N -1 0 301.337 3.503 20 0 DHADRM CCC1(CC)CN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c2ccccc21 ZINC001595376062 980901984 /nfs/dbraw/zinc/90/19/84/980901984.db2.gz LDJPKNRRLSVBTH-JSGCOSHPSA-N -1 0 309.356 3.530 20 0 DHADRM CC1(C)C[C@@H](NCc2ccoc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000902470145 980902170 /nfs/dbraw/zinc/90/21/70/980902170.db2.gz HAZTXRHRFAQCJK-CYBMUJFWSA-N -1 0 319.332 3.509 20 0 DHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])sc2C)CCCCC1 ZINC001595391090 980948639 /nfs/dbraw/zinc/94/86/39/980948639.db2.gz WONYZKWFLCVRFK-UHFFFAOYSA-N -1 0 310.419 3.989 20 0 DHADRM CC(=O)c1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000353892678 1014698840 /nfs/dbraw/zinc/69/88/40/1014698840.db2.gz IRFGURHSEIQEKV-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM O=C([O-])c1csc(CN(Cc2cccc(F)c2)C2CCC2)n1 ZINC000903635730 981010551 /nfs/dbraw/zinc/01/05/51/981010551.db2.gz LYXKAHYASPJSHB-UHFFFAOYSA-N -1 0 320.389 3.535 20 0 DHADRM CCC1CCC(N(C)C(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001595420612 981036669 /nfs/dbraw/zinc/03/66/69/981036669.db2.gz UWXJAWDAHRWTIP-UHFFFAOYSA-N -1 0 310.419 3.879 20 0 DHADRM CCC1CCC(NC(=O)/C=C\C2CCCCC2)(C(=O)[O-])CC1 ZINC001595420878 981038948 /nfs/dbraw/zinc/03/89/48/981038948.db2.gz OAEHQSYTSNUFLQ-HJWRWDBZSA-N -1 0 307.434 3.663 20 0 DHADRM CCC1CCC(NC(=O)OCC2CCCCC2)(C(=O)[O-])CC1 ZINC001595422006 981040348 /nfs/dbraw/zinc/04/03/48/981040348.db2.gz DJUKDEMXGCPCPN-UHFFFAOYSA-N -1 0 311.422 3.717 20 0 DHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595435230 981063782 /nfs/dbraw/zinc/06/37/82/981063782.db2.gz IEHDIFNGMARTHO-WCBMZHEXSA-N -1 0 311.765 3.509 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595436921 981072261 /nfs/dbraw/zinc/07/22/61/981072261.db2.gz YNIUPJFDRDTBMU-GTNSWQLSSA-N -1 0 305.374 3.548 20 0 DHADRM CC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595439644 981074727 /nfs/dbraw/zinc/07/47/27/981074727.db2.gz FJDYRXNNRZVIHI-KWQFWETISA-N -1 0 302.296 3.789 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595439727 981075481 /nfs/dbraw/zinc/07/54/81/981075481.db2.gz GFAMFXDUJMQZNK-PMPSAXMXSA-N -1 0 309.450 3.600 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001595441228 981078985 /nfs/dbraw/zinc/07/89/85/981078985.db2.gz OTCYPHFKHQWXAV-ZBFHGGJFSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001595441895 981081085 /nfs/dbraw/zinc/08/10/85/981081085.db2.gz VHYTYRYSMFRJAC-DGCLKSJQSA-N -1 0 324.446 3.705 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001595443861 981083968 /nfs/dbraw/zinc/08/39/68/981083968.db2.gz CYCAEPHAEWXBMM-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595444253 981086849 /nfs/dbraw/zinc/08/68/49/981086849.db2.gz LSQVTAXIFXNXHN-IAQYHMDHSA-N -1 0 322.380 3.543 20 0 DHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905115925 981089176 /nfs/dbraw/zinc/08/91/76/981089176.db2.gz SEQZGSRAVGZJAJ-CVEARBPZSA-N -1 0 317.429 3.949 20 0 DHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595452239 981113501 /nfs/dbraw/zinc/11/35/01/981113501.db2.gz HEWYWAQLARQVBT-CHWSQXEVSA-N -1 0 304.390 3.641 20 0 DHADRM C[C@H](Cc1ccc(N[C@@H]2CC[C@H]3COCC[C@H]3C2)cc1)C(=O)[O-] ZINC000905718143 981121793 /nfs/dbraw/zinc/12/17/93/981121793.db2.gz ILJVFHNPVIUKMR-GRZALLJUSA-N -1 0 317.429 3.567 20 0 DHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595456399 981126137 /nfs/dbraw/zinc/12/61/37/981126137.db2.gz PUNMDKBQWOKIOK-YGRLFVJLSA-N -1 0 315.373 3.566 20 0 DHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595456393 981126149 /nfs/dbraw/zinc/12/61/49/981126149.db2.gz PUNMDKBQWOKIOK-HZMBPMFUSA-N -1 0 315.373 3.566 20 0 DHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595457269 981129150 /nfs/dbraw/zinc/12/91/50/981129150.db2.gz UFSXNXXBTHEJJH-HZMBPMFUSA-N -1 0 315.373 3.566 20 0 DHADRM CCC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001595459599 981139283 /nfs/dbraw/zinc/13/92/83/981139283.db2.gz JGNCRTYRCLLKOS-JKSUJKDBSA-N -1 0 316.401 3.529 20 0 DHADRM Cc1cc(NCc2cnc([C@H]3CCCO3)s2)cc(C(=O)[O-])c1 ZINC000905753037 981141540 /nfs/dbraw/zinc/14/15/40/981141540.db2.gz GTXTYBRAEHCVAO-CQSZACIVSA-N -1 0 318.398 3.613 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907597400 981198486 /nfs/dbraw/zinc/19/84/86/981198486.db2.gz ATZRBIXJFWQHNP-CYBMUJFWSA-N -1 0 319.401 3.511 20 0 DHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907626925 981201549 /nfs/dbraw/zinc/20/15/49/981201549.db2.gz FLJXJPJKDJSXSE-ZDUSSCGKSA-N -1 0 317.385 3.504 20 0 DHADRM CC[C@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)c2ccccc2O1 ZINC001595489389 981238877 /nfs/dbraw/zinc/23/88/77/981238877.db2.gz UHOBGKIXIWMQKA-HNNXBMFYSA-N -1 0 311.381 3.871 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908181999 981280611 /nfs/dbraw/zinc/28/06/11/981280611.db2.gz VKHPRAGWHCZTDN-VNCLNFNDSA-N -1 0 313.397 3.515 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000908181461 981280698 /nfs/dbraw/zinc/28/06/98/981280698.db2.gz QZKXACMVMCHTFN-HNNXBMFYSA-N -1 0 313.397 3.515 20 0 DHADRM CC/C=C(/C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595507286 981288744 /nfs/dbraw/zinc/28/87/44/981288744.db2.gz CADDDWXNZOJCDF-TWLAMCEISA-N -1 0 316.275 3.888 20 0 DHADRM Cc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(C)s1 ZINC000908345140 981305942 /nfs/dbraw/zinc/30/59/42/981305942.db2.gz ZUEBVPGPXDNCJW-UHFFFAOYSA-N -1 0 309.431 3.520 20 0 DHADRM CC/C=C\CCN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595514378 981313337 /nfs/dbraw/zinc/31/33/37/981313337.db2.gz JWTRUPIWJUWMCK-SCOBNMCVSA-N -1 0 301.308 3.934 20 0 DHADRM COc1c(NC(=O)C2CCCCCCC2)cccc1C(=O)[O-] ZINC000908501082 981318721 /nfs/dbraw/zinc/31/87/21/981318721.db2.gz LQXCBDUISRTVHZ-UHFFFAOYSA-N -1 0 305.374 3.692 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000908588089 981323363 /nfs/dbraw/zinc/32/33/63/981323363.db2.gz QYKDEPFLZHROJO-UHFFFAOYSA-N -1 0 323.392 3.599 20 0 DHADRM COc1cc(Cc2nc(=O)c3sc(C)cc3[n-]2)ccc1C ZINC000656491892 1014725339 /nfs/dbraw/zinc/72/53/39/1014725339.db2.gz SFHQHGHFVOMFCM-UHFFFAOYSA-N -1 0 300.383 3.613 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H](c2ccncc2)C2CCCC2)cc1 ZINC000908671692 981336994 /nfs/dbraw/zinc/33/69/94/981336994.db2.gz DHNOVZYCANCVPA-KRWDZBQOSA-N -1 0 324.380 3.692 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)cc1 ZINC000908671694 981337120 /nfs/dbraw/zinc/33/71/20/981337120.db2.gz DHNOVZYCANCVPA-QGZVFWFLSA-N -1 0 324.380 3.692 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1Cl ZINC000908684363 981339065 /nfs/dbraw/zinc/33/90/65/981339065.db2.gz JYCUNYDHDAJPCQ-UHFFFAOYSA-N -1 0 321.682 3.709 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(Cl)c3)(CC1)CC2 ZINC000908688298 981339839 /nfs/dbraw/zinc/33/98/39/981339839.db2.gz MZOLDLNMIPBOHW-UHFFFAOYSA-N -1 0 307.777 3.704 20 0 DHADRM CCC[C@@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595536317 981382418 /nfs/dbraw/zinc/38/24/18/981382418.db2.gz WOEDLHRVPUNGBJ-VQIMIIECSA-N -1 0 319.445 3.608 20 0 DHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC001595536626 981384019 /nfs/dbraw/zinc/38/40/19/981384019.db2.gz CPPQOSLNRIGNOT-AWEZNQCLSA-N -1 0 313.353 3.613 20 0 DHADRM CCC[C@](C)(CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595541099 981399480 /nfs/dbraw/zinc/39/94/80/981399480.db2.gz HKXASHPWZSZOAK-KRWDZBQOSA-N -1 0 307.390 3.686 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-] ZINC001595553079 981426359 /nfs/dbraw/zinc/42/63/59/981426359.db2.gz GBTXDDSYQSLCEG-GOSISDBHSA-N -1 0 303.402 3.717 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(OC(CC)CC)cc1)C(=O)[O-] ZINC001595554415 981436786 /nfs/dbraw/zinc/43/67/86/981436786.db2.gz ZJNQJNAWQKRHPT-GOSISDBHSA-N -1 0 321.417 3.627 20 0 DHADRM CCC(C)(CC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909225256 981437291 /nfs/dbraw/zinc/43/72/91/981437291.db2.gz KSUHSDOFVYZEJA-UHFFFAOYSA-N -1 0 309.431 3.769 20 0 DHADRM CCC[C@@H](C)CCCN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001595570334 981472786 /nfs/dbraw/zinc/47/27/86/981472786.db2.gz BAKGTRHSVUBOFT-MLGOLLRUSA-N -1 0 309.381 3.694 20 0 DHADRM CC(C)CC1(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCC1 ZINC000909412928 981488336 /nfs/dbraw/zinc/48/83/36/981488336.db2.gz XVPYKLXRQZNTEW-UHFFFAOYSA-N -1 0 321.461 3.744 20 0 DHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595579068 981504988 /nfs/dbraw/zinc/50/49/88/981504988.db2.gz PGQJPAPLIYTOLS-BYCMXARLSA-N -1 0 304.390 3.527 20 0 DHADRM Cc1sccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909519392 981525439 /nfs/dbraw/zinc/52/54/39/981525439.db2.gz HYHLAIIBNWAJEC-SNVBAGLBSA-N -1 0 303.383 3.572 20 0 DHADRM Cc1csc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000909520133 981526275 /nfs/dbraw/zinc/52/62/75/981526275.db2.gz NHHOKYRYQOGVTA-NSHDSACASA-N -1 0 303.383 3.572 20 0 DHADRM C[C@@H](Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1)C(=O)[O-] ZINC000909520821 981526974 /nfs/dbraw/zinc/52/69/74/981526974.db2.gz UCUVPZNIOOVCON-SCLBCKFNSA-N -1 0 301.386 3.635 20 0 DHADRM CCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595586086 981529212 /nfs/dbraw/zinc/52/92/12/981529212.db2.gz OQYZBOFXIHARIU-CXAGYDPISA-N -1 0 313.397 3.908 20 0 DHADRM CC(C)(CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC000909529412 981533090 /nfs/dbraw/zinc/53/30/90/981533090.db2.gz NQXBRSWMJYPZGP-YGRLFVJLSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC(CCC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595586666 981534794 /nfs/dbraw/zinc/53/47/94/981534794.db2.gz JVBJREJLLCKIBC-INIZCTEOSA-N -1 0 305.418 3.843 20 0 DHADRM CCCC(CCC)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595586843 981536729 /nfs/dbraw/zinc/53/67/29/981536729.db2.gz ROXUGHUWUXXBLP-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM O=C([O-])C12CCC(C(=O)Nc3cnc4ccccc4c3)(CC1)CC2 ZINC000909542497 981537262 /nfs/dbraw/zinc/53/72/62/981537262.db2.gz VBTKUUGQHRWQIH-UHFFFAOYSA-N -1 0 324.380 3.599 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001595587232 981539872 /nfs/dbraw/zinc/53/98/72/981539872.db2.gz GHQQQDUDRSTBSA-SJORKVTESA-N -1 0 323.477 3.990 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001595587243 981540044 /nfs/dbraw/zinc/54/00/44/981540044.db2.gz GJPKFKDYQMXXAN-HZPDHXFCSA-N -1 0 309.450 3.839 20 0 DHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000909560959 981542775 /nfs/dbraw/zinc/54/27/75/981542775.db2.gz UJIQWRPHDQFQLE-VRZZLATASA-N -1 0 321.442 3.643 20 0 DHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595587658 981543419 /nfs/dbraw/zinc/54/34/19/981543419.db2.gz UHJNYDRTVQYREM-CQSZACIVSA-N -1 0 321.417 3.899 20 0 DHADRM CCC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C1CCCC1 ZINC001595599440 981571734 /nfs/dbraw/zinc/57/17/34/981571734.db2.gz ANAYCAMDYGFKGZ-MRXNPFEDSA-N -1 0 318.417 3.794 20 0 DHADRM CCC[C@@H](O)CCCSCc1c(OC)cccc1C(=O)[O-] ZINC001595606786 981593095 /nfs/dbraw/zinc/59/30/95/981593095.db2.gz ANGMHKRTGJHYED-GFCCVEGCSA-N -1 0 312.431 3.568 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC001594741518 981612010 /nfs/dbraw/zinc/61/20/10/981612010.db2.gz WUCFFAZKJFFQSV-CQSZACIVSA-N -1 0 323.820 3.722 20 0 DHADRM CCC[C@@H](O)CCCSCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595608950 981615565 /nfs/dbraw/zinc/61/55/65/981615565.db2.gz MSLTWDPPTHATAU-MRXNPFEDSA-N -1 0 322.470 3.977 20 0 DHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909831780 981649661 /nfs/dbraw/zinc/64/96/61/981649661.db2.gz ALNZGCCUCDBEAJ-ZIAGYGMSSA-N -1 0 311.381 3.925 20 0 DHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909837501 981658260 /nfs/dbraw/zinc/65/82/60/981658260.db2.gz WSZWIBVVZHHWMG-NSHDSACASA-N -1 0 324.380 3.708 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CC1 ZINC000656505997 1014753669 /nfs/dbraw/zinc/75/36/69/1014753669.db2.gz IPVGGBGSBMNKRD-GFCCVEGCSA-N -1 0 314.385 3.506 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595619600 981679043 /nfs/dbraw/zinc/67/90/43/981679043.db2.gz JMSAZBWXSIIZFG-YOEHRIQHSA-N -1 0 317.429 3.745 20 0 DHADRM CCCC1CCC(Nc2ccc3cnn(CC(=O)[O-])c3c2)CC1 ZINC001595620544 981690828 /nfs/dbraw/zinc/69/08/28/981690828.db2.gz LLHITDXATJZEFI-UHFFFAOYSA-N -1 0 315.417 3.892 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595621016 981695130 /nfs/dbraw/zinc/69/51/30/981695130.db2.gz ADRHNQSVFCRKFP-OLZOCXBDSA-N -1 0 319.405 3.508 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001594761912 981695157 /nfs/dbraw/zinc/69/51/57/981695157.db2.gz JVNKFQVQNYHAIH-ZDUSSCGKSA-N -1 0 317.316 3.667 20 0 DHADRM CCC[C@H](C)C(=O)OCc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000728328261 1014757695 /nfs/dbraw/zinc/75/76/95/1014757695.db2.gz PGWDTSVLJDYIRT-NSHDSACASA-N -1 0 318.369 3.540 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001595621403 981699686 /nfs/dbraw/zinc/69/96/86/981699686.db2.gz HTGWRKCWFNFQLD-NVXWUHKLSA-N -1 0 317.429 3.650 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595621542 981700922 /nfs/dbraw/zinc/70/09/22/981700922.db2.gz KEYMHPSFSNUUSI-STQMWFEESA-N -1 0 319.405 3.508 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C(C)=C/c1ccco1)c1ccccc1 ZINC001594763798 981702009 /nfs/dbraw/zinc/70/20/09/981702009.db2.gz FYEZVFGVEZCFOR-DBTPVHCXSA-N -1 0 313.353 3.579 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595621912 981704407 /nfs/dbraw/zinc/70/44/07/981704407.db2.gz QMRUFXFROFCKTN-NWPKHEMWSA-N -1 0 309.450 3.743 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)CC(C1CC1)C1CC1)c1ccccc1 ZINC001594768268 981729372 /nfs/dbraw/zinc/72/93/72/981729372.db2.gz SWIULLMXILEUGC-QGZVFWFLSA-N -1 0 315.413 3.709 20 0 DHADRM C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCCC1 ZINC000909992829 981732679 /nfs/dbraw/zinc/73/26/79/981732679.db2.gz ZWZNXCWJVQUDLW-YCMKEVRSSA-N -1 0 321.461 3.744 20 0 DHADRM CC[C@H](C(=O)[O-])c1nnc(-c2cc3c(s2)CCCCC3)o1 ZINC001594776009 981763672 /nfs/dbraw/zinc/76/36/72/981763672.db2.gz YPOXRFGAEQXUPB-JTQLQIEISA-N -1 0 306.387 3.645 20 0 DHADRM CCCC[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C(C)C ZINC001595627644 981775076 /nfs/dbraw/zinc/77/50/76/981775076.db2.gz NVEVIOAYKBCZSV-JKSUJKDBSA-N -1 0 311.466 3.846 20 0 DHADRM CCCCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595627890 981777615 /nfs/dbraw/zinc/77/76/15/981777615.db2.gz YQCLBYTZFHZBPV-UHFFFAOYSA-N -1 0 318.398 3.561 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001594782416 981790307 /nfs/dbraw/zinc/79/03/07/981790307.db2.gz PCBAJZBBSUGYPP-YZVOILCLSA-N -1 0 321.461 3.717 20 0 DHADRM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233896 981797326 /nfs/dbraw/zinc/79/73/26/981797326.db2.gz QJXYVEPAAQRYQB-DWOQACPDSA-N -1 0 323.364 3.609 20 0 DHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000910255016 981831862 /nfs/dbraw/zinc/83/18/62/981831862.db2.gz WGGJJQOHJQRIIB-CZUORRHYSA-N -1 0 303.402 3.584 20 0 DHADRM COC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC000910300254 981856535 /nfs/dbraw/zinc/85/65/35/981856535.db2.gz WHTUAFSVBBASIM-CQSZACIVSA-N -1 0 320.776 3.541 20 0 DHADRM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001595632739 981860205 /nfs/dbraw/zinc/86/02/05/981860205.db2.gz PKHFKDHQDGBMCN-AWEZNQCLSA-N -1 0 320.433 3.848 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595632942 981863139 /nfs/dbraw/zinc/86/31/39/981863139.db2.gz WXQHZPMBUUVARL-GFCCVEGCSA-N -1 0 307.390 3.944 20 0 DHADRM CCCC[C@@H](CCC)CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595632979 981863282 /nfs/dbraw/zinc/86/32/82/981863282.db2.gz YKNXFYXLPHBSHD-OAHLLOKOSA-N -1 0 305.418 3.650 20 0 DHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c(Cl)c1 ZINC001594794236 981868680 /nfs/dbraw/zinc/86/86/80/981868680.db2.gz XRQCSVGSUUSWLQ-KRWDZBQOSA-N -1 0 323.820 3.754 20 0 DHADRM CCCC[C@H](NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC001595634496 981889353 /nfs/dbraw/zinc/88/93/53/981889353.db2.gz IWQPCZMZKZUMAG-FAVCNRTPSA-N -1 0 309.450 3.765 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001594814379 981937369 /nfs/dbraw/zinc/93/73/69/981937369.db2.gz KZGSAQSJKSWRKQ-MRXNPFEDSA-N -1 0 317.429 3.844 20 0 DHADRM Cc1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000581407007 1014782782 /nfs/dbraw/zinc/78/27/82/1014782782.db2.gz RMPRHXYRFFWBQV-CQSZACIVSA-N -1 0 306.406 3.704 20 0 DHADRM CCC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC001594815888 981946766 /nfs/dbraw/zinc/94/67/66/981946766.db2.gz SZWGKMZOKQFSMR-OAHLLOKOSA-N -1 0 318.417 3.845 20 0 DHADRM CCCC[C@@H](Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-] ZINC001595642177 981971549 /nfs/dbraw/zinc/97/15/49/981971549.db2.gz JDVQLJZKCPUKLA-GFCCVEGCSA-N -1 0 301.333 3.694 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1F ZINC001594822434 981975073 /nfs/dbraw/zinc/97/50/73/981975073.db2.gz YIVCLCAZBPFZAG-CYBMUJFWSA-N -1 0 322.163 3.506 20 0 DHADRM CCCC[C@@H](OC(=O)C1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC001595646030 981994834 /nfs/dbraw/zinc/99/48/34/981994834.db2.gz MPZDSZHEGGZUIJ-VQXHTEKXSA-N -1 0 310.312 3.542 20 0 DHADRM CCCC[C@H](Nc1ccc(OC2CCOCC2)c(C)c1)C(=O)[O-] ZINC001595646791 982001325 /nfs/dbraw/zinc/00/13/25/982001325.db2.gz UTNWEHPDTTYLNL-INIZCTEOSA-N -1 0 321.417 3.608 20 0 DHADRM CCCC[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC001595651053 982016568 /nfs/dbraw/zinc/01/65/68/982016568.db2.gz QGDVOFNIEHRQPU-CQSZACIVSA-N -1 0 323.776 3.550 20 0 DHADRM CCCCC1(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001595657204 982059829 /nfs/dbraw/zinc/05/98/29/982059829.db2.gz NGIHQAAUABBZDR-ZDUSSCGKSA-N -1 0 318.417 3.794 20 0 DHADRM CCCC[C@H](SCc1noc(-c2ccsc2)n1)C(=O)[O-] ZINC001595657935 982067718 /nfs/dbraw/zinc/06/77/18/982067718.db2.gz VKAHOBCJNMSOHF-JTQLQIEISA-N -1 0 312.416 3.675 20 0 DHADRM CCCCC1CCC(CNC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001595661145 982073889 /nfs/dbraw/zinc/07/38/89/982073889.db2.gz PTNHKFJTXYRFFA-UHFFFAOYSA-N -1 0 324.446 3.568 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595660902 982074126 /nfs/dbraw/zinc/07/41/26/982074126.db2.gz OGGIGZMQJXJXLA-BBRMVZONSA-N -1 0 303.402 3.782 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)nc1C(=O)[O-] ZINC000910705886 982075916 /nfs/dbraw/zinc/07/59/16/982075916.db2.gz NOYTYGFUIULAHH-RKDXNWHRSA-N -1 0 310.419 3.585 20 0 DHADRM CCCCC[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC001595662428 982079160 /nfs/dbraw/zinc/07/91/60/982079160.db2.gz DQWUZOJEGIGTCO-JTDSTZFVSA-N -1 0 323.477 3.942 20 0 DHADRM CCC(=CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910718860 982080676 /nfs/dbraw/zinc/08/06/76/982080676.db2.gz OSYBZYOVRJLNHS-GFCCVEGCSA-N -1 0 322.430 3.560 20 0 DHADRM CC(C)(C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)C1CCCC1 ZINC000910732445 982094088 /nfs/dbraw/zinc/09/40/88/982094088.db2.gz CGNAESWOENEJOY-UHFFFAOYSA-N -1 0 322.430 3.874 20 0 DHADRM O=C([O-])c1nc(NC(=O)CC2=CCCCC2)sc1C1CC1 ZINC000910737789 982098655 /nfs/dbraw/zinc/09/86/55/982098655.db2.gz UIZPALKFUWCBOE-UHFFFAOYSA-N -1 0 306.387 3.548 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)CC ZINC000910741314 982103784 /nfs/dbraw/zinc/10/37/84/982103784.db2.gz SINFVSXEZMOPTL-NITIKTIDSA-N -1 0 306.387 3.570 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001595666624 982105559 /nfs/dbraw/zinc/10/55/59/982105559.db2.gz PLITZBOLDAVWQL-CQSZACIVSA-N -1 0 305.418 3.536 20 0 DHADRM CCCCC[C@@H](C)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001595667071 982109178 /nfs/dbraw/zinc/10/91/78/982109178.db2.gz ZKDOLTJXFUMNLY-GFCCVEGCSA-N -1 0 308.374 3.905 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001595669998 982116126 /nfs/dbraw/zinc/11/61/26/982116126.db2.gz LMTHSZLZOOIERO-YOEHRIQHSA-N -1 0 317.429 3.804 20 0 DHADRM CCCCC[C@H](CC)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595670052 982116388 /nfs/dbraw/zinc/11/63/88/982116388.db2.gz MLAXMCBMBBBECU-GOEBONIOSA-N -1 0 323.408 3.544 20 0 DHADRM CCCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595670302 982116938 /nfs/dbraw/zinc/11/69/38/982116938.db2.gz OLNFMWWBTNQISS-OLZOCXBDSA-N -1 0 311.447 3.987 20 0 DHADRM CCCCC[C@H](CC)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595670334 982118225 /nfs/dbraw/zinc/11/82/25/982118225.db2.gz OVIHPKBRHSRMEF-LSDHHAIUSA-N -1 0 311.466 3.942 20 0 DHADRM CCCCC[C@@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001595672234 982131214 /nfs/dbraw/zinc/13/12/14/982131214.db2.gz NPEMMUMMWBESDQ-WMLDXEAASA-N -1 0 319.445 3.892 20 0 DHADRM CCCCC[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001595680857 982157447 /nfs/dbraw/zinc/15/74/47/982157447.db2.gz HFXSBLPRFIRNFB-NSHDSACASA-N -1 0 311.447 3.809 20 0 DHADRM CCCc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC000910960638 982179197 /nfs/dbraw/zinc/17/91/97/982179197.db2.gz NZQXEBMIRQOZTP-UHFFFAOYSA-N -1 0 318.398 3.609 20 0 DHADRM CC[C@H](C)[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC001594873993 982197497 /nfs/dbraw/zinc/19/74/97/982197497.db2.gz RTXBHJRSOROMJM-BLLLJJGKSA-N -1 0 316.353 3.851 20 0 DHADRM CCCCCCC(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595690885 982202386 /nfs/dbraw/zinc/20/23/86/982202386.db2.gz VZWJKGICHJZASM-UHFFFAOYSA-N -1 0 303.402 3.943 20 0 DHADRM CCCCCC[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595694688 982213242 /nfs/dbraw/zinc/21/32/42/982213242.db2.gz GVKLPGIZWAIWMP-ZDUSSCGKSA-N -1 0 307.390 3.695 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595695182 982216950 /nfs/dbraw/zinc/21/69/50/982216950.db2.gz QEBHITWXTBFWBG-AWEZNQCLSA-N -1 0 317.429 3.876 20 0 DHADRM CCCCCC[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595695337 982217831 /nfs/dbraw/zinc/21/78/31/982217831.db2.gz SRTRMMKYHKFLNN-NTODXPRQSA-N -1 0 323.477 3.989 20 0 DHADRM CCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001595695326 982217964 /nfs/dbraw/zinc/21/79/64/982217964.db2.gz RXOMXLZJERHXCA-XUWVNRHRSA-N -1 0 309.450 3.695 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1cccs1 ZINC000911060943 982219866 /nfs/dbraw/zinc/21/98/66/982219866.db2.gz GXEFKFNQUOKRDQ-KRWDZBQOSA-N -1 0 323.458 3.563 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595696915 982236253 /nfs/dbraw/zinc/23/62/53/982236253.db2.gz FRPYEWPKBSSJAJ-CYBMUJFWSA-N -1 0 323.437 3.638 20 0 DHADRM CCCCCC[C@@H](CC)CN(C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595697192 982238552 /nfs/dbraw/zinc/23/85/52/982238552.db2.gz HNPUGBCMLWXUBN-ZBFHGGJFSA-N -1 0 324.465 3.798 20 0 DHADRM CCCCCC[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595697264 982239773 /nfs/dbraw/zinc/23/97/73/982239773.db2.gz JLFRHCPWJNRPFI-CQSZACIVSA-N -1 0 305.418 3.998 20 0 DHADRM CSC[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000092762379 1014818034 /nfs/dbraw/zinc/81/80/34/1014818034.db2.gz INYWJZFMMCGLAE-ZDUSSCGKSA-N -1 0 301.411 3.513 20 0 DHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594883688 982255378 /nfs/dbraw/zinc/25/53/78/982255378.db2.gz VZDDDGGEAAPCOG-HTQZYQBOSA-N -1 0 316.760 3.733 20 0 DHADRM COc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1 ZINC000188715333 1014822513 /nfs/dbraw/zinc/82/25/13/1014822513.db2.gz MHJHZRHIOZVGIS-CMDGGOBGSA-N -1 0 316.740 3.943 20 0 DHADRM CCCCCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595712288 982305893 /nfs/dbraw/zinc/30/58/93/982305893.db2.gz OLCJSPNHKSVVBY-UHFFFAOYSA-N -1 0 316.760 3.879 20 0 DHADRM CCCCN(C(=S)NCCCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC001595735595 982379557 /nfs/dbraw/zinc/37/95/57/982379557.db2.gz KRNDVGOAHNZQIA-AWEZNQCLSA-N -1 0 322.474 3.589 20 0 DHADRM CCCCO[C@H](C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001595766025 982495184 /nfs/dbraw/zinc/49/51/84/982495184.db2.gz WHNZBEZLFCKPMT-GFCCVEGCSA-N -1 0 307.390 3.652 20 0 DHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC001594929062 982545209 /nfs/dbraw/zinc/54/52/09/982545209.db2.gz QMCXDQIXKDMPFO-CMPLNLGQSA-N -1 0 306.387 3.636 20 0 DHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001594930785 982557103 /nfs/dbraw/zinc/55/71/03/982557103.db2.gz BHLKPOQSCOMOPO-WBMJQRKESA-N -1 0 303.402 3.734 20 0 DHADRM CCCCSCCC(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001595791850 982591093 /nfs/dbraw/zinc/59/10/93/982591093.db2.gz HPCZYKDMDANNCU-UHFFFAOYSA-N -1 0 315.460 3.871 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594938027 982604156 /nfs/dbraw/zinc/60/41/56/982604156.db2.gz CUKJHDJGULRXLE-YSVLISHTSA-N -1 0 317.429 3.502 20 0 DHADRM CCCCc1ccc(N(C)Cc2nc(C(=O)[O-])cs2)cc1 ZINC001595797144 982604952 /nfs/dbraw/zinc/60/49/52/982604952.db2.gz UUNQCYACKSIEIO-UHFFFAOYSA-N -1 0 304.415 3.820 20 0 DHADRM CCCCc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001595797469 982606841 /nfs/dbraw/zinc/60/68/41/982606841.db2.gz WLPAMWSUEHDKDK-BENRWUELSA-N -1 0 313.353 3.972 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001594938690 982608687 /nfs/dbraw/zinc/60/86/87/982608687.db2.gz OKHZWHLLDDOIFF-HVZAUCLLSA-N -1 0 317.429 3.631 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001594940206 982612799 /nfs/dbraw/zinc/61/27/99/982612799.db2.gz YZNLAJKXOSBYTH-BHYGNILZSA-N -1 0 319.445 3.822 20 0 DHADRM CC(C)Oc1c(NC(=O)[C@H](C)C2CCCC2)cccc1C(=O)[O-] ZINC000911734222 982618489 /nfs/dbraw/zinc/61/84/89/982618489.db2.gz PHNAVFFTRUQGLA-GFCCVEGCSA-N -1 0 319.401 3.937 20 0 DHADRM CC(C)Oc1c(NC(=O)C2=CCCCC2)cccc1C(=O)[O-] ZINC000911737710 982619749 /nfs/dbraw/zinc/61/97/49/982619749.db2.gz HETIJXLNSGTZRA-UHFFFAOYSA-N -1 0 303.358 3.611 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737955 982619935 /nfs/dbraw/zinc/61/99/35/982619935.db2.gz JQKDCAZYYUMKCU-NWDGAFQWSA-N -1 0 307.390 3.793 20 0 DHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001594945957 982637318 /nfs/dbraw/zinc/63/73/18/982637318.db2.gz KAWNDEZUUDKYBM-BLLLJJGKSA-N -1 0 303.402 3.573 20 0 DHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914729608 982655633 /nfs/dbraw/zinc/65/56/33/982655633.db2.gz XLNHXJNZWJKIFF-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccsc2)ccc1Cl ZINC000914730624 982657278 /nfs/dbraw/zinc/65/72/78/982657278.db2.gz 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CC[C@@H](C)N(CC)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001594983594 982786728 /nfs/dbraw/zinc/78/67/28/982786728.db2.gz GSOMCROFWAOZAS-GFCCVEGCSA-N -1 0 322.405 3.824 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cc(C)cc(C)c2)C(C(=O)[O-])=C1C ZINC001594985616 982804527 /nfs/dbraw/zinc/80/45/27/982804527.db2.gz WGBSDCVVUUEEBE-MLGOLLRUSA-N -1 0 316.401 3.527 20 0 DHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(C(=O)[O-])n2C)c1 ZINC001595007495 982925591 /nfs/dbraw/zinc/92/55/91/982925591.db2.gz DDLRWCHIOUMOJH-GFCCVEGCSA-N -1 0 302.374 3.513 20 0 DHADRM CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001595008878 982930305 /nfs/dbraw/zinc/93/03/05/982930305.db2.gz SIKLDBDCSJYSHX-IHRRRGAJSA-N -1 0 319.401 3.693 20 0 DHADRM Cc1cc(C)cc([C@H](NCc2csc(C(C)C)n2)C(=O)[O-])c1 ZINC001116779951 982934984 /nfs/dbraw/zinc/93/49/84/982934984.db2.gz ISMKDBJUTOZODY-HNNXBMFYSA-N -1 0 318.442 3.799 20 0 DHADRM Cc1ccc2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3C)c2n1 ZINC001116788224 982935814 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CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-] ZINC000656605288 1014920728 /nfs/dbraw/zinc/92/07/28/1014920728.db2.gz RDNNDWJTGHYTOW-MRXNPFEDSA-N -1 0 316.401 3.514 20 0 DHADRM CCCOc1ccc(Nc2cnc(C(=O)[O-])cn2)cc1C(C)C ZINC001595966851 983174312 /nfs/dbraw/zinc/17/43/12/983174312.db2.gz UGOAYRDYHYDIDZ-UHFFFAOYSA-N -1 0 315.373 3.831 20 0 DHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000443454970 1014923979 /nfs/dbraw/zinc/92/39/79/1014923979.db2.gz QNGSEJULZWANSX-UHFFFAOYSA-N -1 0 319.407 3.711 20 0 DHADRM CCCc1c(C(=O)N[C@H](CC)[C@@H]2CC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037019 983316821 /nfs/dbraw/zinc/31/68/21/983316821.db2.gz YKFNDRJOCAOLGY-QWHCGFSZSA-N -1 0 320.433 3.528 20 0 DHADRM CCCn1c(S[C@H](CC)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001596111274 983438689 /nfs/dbraw/zinc/43/86/89/983438689.db2.gz NUYJRLHJDCKJOG-CYBMUJFWSA-N -1 0 319.430 3.619 20 0 DHADRM CCN(C(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1C(=O)[O-] ZINC001596136799 983484726 /nfs/dbraw/zinc/48/47/26/983484726.db2.gz 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983532152 /nfs/dbraw/zinc/53/21/52/983532152.db2.gz QYPCLBMKOYWWLY-NTMALXAHSA-N -1 0 319.744 3.698 20 0 DHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1Cl ZINC001596167363 983532289 /nfs/dbraw/zinc/53/22/89/983532289.db2.gz QYPCLBMKOYWWLY-CSKARUKUSA-N -1 0 319.744 3.698 20 0 DHADRM CCCOc1cccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000537545928 1032106029 /nfs/dbraw/zinc/10/60/29/1032106029.db2.gz JLEMSBHFFOZUFK-UHFFFAOYSA-N -1 0 313.353 3.636 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001596305640 983733427 /nfs/dbraw/zinc/73/34/27/983733427.db2.gz LCJNSFMYHUOWRI-UHFFFAOYSA-N -1 0 319.445 3.531 20 0 DHADRM CCN(CCOc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001596345422 983793803 /nfs/dbraw/zinc/79/38/03/983793803.db2.gz JNGUUOBTEYJTHS-UHFFFAOYSA-N -1 0 319.788 3.944 20 0 DHADRM CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccc(Cl)s1 ZINC001596354505 983819001 /nfs/dbraw/zinc/81/90/01/983819001.db2.gz UNIZWDUSOXBPQY-UHFFFAOYSA-N -1 0 312.822 3.758 20 0 DHADRM CCN(Cc1ccc(C)cc1)c1ncc(C(=O)[O-])cc1Cl 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CCCOc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000055687856 1015017129 /nfs/dbraw/zinc/01/71/29/1015017129.db2.gz CMKLOYZBHBHYJU-UHFFFAOYSA-N -1 0 323.389 3.724 20 0 DHADRM CCNc1nc(S[C@@H](CC(C)C)C(=O)[O-])nc2ccccc21 ZINC001596504535 984259781 /nfs/dbraw/zinc/25/97/81/984259781.db2.gz CENJLSRTUAPWJC-ZDUSSCGKSA-N -1 0 319.430 3.653 20 0 DHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCO1 ZINC000909512429 1015020867 /nfs/dbraw/zinc/02/08/67/1015020867.db2.gz DNAWTZZLBKGIGS-UONOGXRCSA-N -1 0 319.401 3.535 20 0 DHADRM CCCCCN(CCCCC)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006042229 1015015110 /nfs/dbraw/zinc/01/51/10/1015015110.db2.gz DUFLXLXOAJHVID-JKSUJKDBSA-N -1 0 309.450 3.862 20 0 DHADRM CCCCCN(CCCCC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006042218 1015015709 /nfs/dbraw/zinc/01/57/09/1015015709.db2.gz DUFLXLXOAJHVID-HZPDHXFCSA-N -1 0 309.450 3.862 20 0 DHADRM CCOC(=O)CC(C)(C)CCSCc1ccccc1C(=O)[O-] ZINC001596588304 984525036 /nfs/dbraw/zinc/52/50/36/984525036.db2.gz 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/nfs/dbraw/zinc/64/58/20/984645820.db2.gz RGUFAEAVJREPCV-QXMHVHEDSA-N -1 0 315.394 3.807 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nccn1-c1cc(C)ccc1C ZINC001588951747 984681890 /nfs/dbraw/zinc/68/18/90/984681890.db2.gz GBXYUTYGEUIDQA-FMIVXFBMSA-N -1 0 302.399 3.612 20 0 DHADRM C/C(=C\C(=O)[O-])CSc1nnc(Nc2cccc(C)c2)s1 ZINC001588952303 984684982 /nfs/dbraw/zinc/68/49/82/984684982.db2.gz NCGRBDSHEJXSEC-JXMROGBWSA-N -1 0 321.427 3.713 20 0 DHADRM C/C(=C/C(=O)[O-])COc1c(C=O)cc(Cl)c2ccccc21 ZINC001588952470 984685964 /nfs/dbraw/zinc/68/59/64/984685964.db2.gz QFIJINCHOUSOBX-POHAHGRESA-N -1 0 304.729 3.715 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588956175 984701157 /nfs/dbraw/zinc/70/11/57/984701157.db2.gz ICNQXFKXHHXWBR-NTCAYCPXSA-N -1 0 315.413 3.877 20 0 DHADRM C/C(=C\CN1CCCCc2ccc(Br)cc21)C(=O)[O-] ZINC001588959933 984729122 /nfs/dbraw/zinc/72/91/22/984729122.db2.gz VBBUBIDEKHHGEN-YRNVUSSQSA-N -1 0 324.218 3.623 20 0 DHADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001599900710 984818519 /nfs/dbraw/zinc/81/85/19/984818519.db2.gz QZLGXAHNXBIUSV-RNKPRXRFSA-N -1 0 319.744 3.522 20 0 DHADRM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1cc2ccccc2o1 ZINC001599900995 984824705 /nfs/dbraw/zinc/82/47/05/984824705.db2.gz GECUVRIWPOGBNB-BONVTDFDSA-N -1 0 301.367 3.971 20 0 DHADRM C[C@H](OC(=O)C(C)(C)C(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC001599905174 984912525 /nfs/dbraw/zinc/91/25/25/984912525.db2.gz WEDBSHNHMMAYQA-QMMMGPOBSA-N -1 0 304.264 3.578 20 0 DHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001588998053 984933186 /nfs/dbraw/zinc/93/31/86/984933186.db2.gz FZSNIKUDVMNJHI-LUAWRHEFSA-N -1 0 301.367 3.797 20 0 DHADRM C/C(=C/c1ccccc1Cl)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001589003630 984955256 /nfs/dbraw/zinc/95/52/56/984955256.db2.gz GQPHMAQGILNDOO-BENRWUELSA-N -1 0 321.804 3.647 20 0 DHADRM C[C@H]1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC001599909363 984964689 /nfs/dbraw/zinc/96/46/89/984964689.db2.gz YZFLHGBTMVYKNO-FVQBIDKESA-N -1 0 309.450 3.600 20 0 DHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001589022447 985015723 /nfs/dbraw/zinc/01/57/23/985015723.db2.gz AYSPDKUXFWGDHU-STQMWFEESA-N -1 0 319.401 3.599 20 0 DHADRM CC(=O)[C@H](C)CCSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001589022477 985017722 /nfs/dbraw/zinc/01/77/22/985017722.db2.gz BOWTYEXLKMUIIH-SSDOTTSWSA-N -1 0 321.320 3.506 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001589034639 985072868 /nfs/dbraw/zinc/07/28/68/985072868.db2.gz AZPGCCSXUUEYIP-CQSZACIVSA-N -1 0 319.401 3.743 20 0 DHADRM C[C@H]1C[C@@H]1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001599934817 985376836 /nfs/dbraw/zinc/37/68/36/985376836.db2.gz KFZFWBFBTSKWOR-ONGXEEELSA-N -1 0 301.367 3.708 20 0 DHADRM CC(=O)Nc1c(C)ccc(NCc2csc(C(=O)[O-])c2)c1C ZINC001589165697 985507292 /nfs/dbraw/zinc/50/72/92/985507292.db2.gz JEFIFXKCJWAAFL-UHFFFAOYSA-N -1 0 318.398 3.634 20 0 DHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001599947719 985557516 /nfs/dbraw/zinc/55/75/16/985557516.db2.gz GSBHEVXEGDVHPU-JTQLQIEISA-N -1 0 321.373 3.832 20 0 DHADRM CCO[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001596852642 985586710 /nfs/dbraw/zinc/58/67/10/985586710.db2.gz JOGWUZAZXLHHMF-CABCVRRESA-N -1 0 321.417 3.932 20 0 DHADRM Cc1[nH]c(C(=O)N[C@@H]2CCCCC23CCCC3)c(C)c1C(=O)[O-] ZINC001599952142 985627248 /nfs/dbraw/zinc/62/72/48/985627248.db2.gz HGJPUPSCRBWOER-CYBMUJFWSA-N -1 0 318.417 3.563 20 0 DHADRM Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599953157 985644084 /nfs/dbraw/zinc/64/40/84/985644084.db2.gz QJNRWQZVROUCIF-KGLIPLIRSA-N -1 0 320.433 3.664 20 0 DHADRM Cc1[nH]c(C(=O)Nc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599954969 985673406 /nfs/dbraw/zinc/67/34/06/985673406.db2.gz WLGLWKLLFMLKFI-UHFFFAOYSA-N -1 0 300.358 3.705 20 0 DHADRM Cc1[nH]c2ccccc2c1CCNc1nc(C(=O)[O-])c(C)s1 ZINC001599965530 985897171 /nfs/dbraw/zinc/89/71/71/985897171.db2.gz NCPNYJXVMDBFBI-UHFFFAOYSA-N -1 0 315.398 3.594 20 0 DHADRM Cc1[nH]c2c(cccc2-c2nc(-c3cc(C(=O)[O-])co3)no2)c1C ZINC001599966414 985913947 /nfs/dbraw/zinc/91/39/47/985913947.db2.gz XDJDVUKZMIMSJW-UHFFFAOYSA-N -1 0 323.308 3.793 20 0 DHADRM CCOCc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001596950116 986107522 /nfs/dbraw/zinc/10/75/22/986107522.db2.gz SBQGVRJNXHLRRW-SNVBAGLBSA-N -1 0 306.387 3.551 20 0 DHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001589336711 986224887 /nfs/dbraw/zinc/22/48/87/986224887.db2.gz KZWXQISEMAPZPL-LBPRGKRZSA-N -1 0 323.820 3.689 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)CC(C)(C)C ZINC001597016890 986387315 /nfs/dbraw/zinc/38/73/15/986387315.db2.gz NCGFCMJCFSMRFZ-LLVKDONJSA-N -1 0 322.405 3.730 20 0 DHADRM C[C@@H]1COC2(CCCC2)CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594593966 986504138 /nfs/dbraw/zinc/50/41/38/986504138.db2.gz YAQOOSGXUDFILM-GFCCVEGCSA-N -1 0 323.820 3.572 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594614974 986630906 /nfs/dbraw/zinc/63/09/06/986630906.db2.gz KHSFFRHYUYLBHG-WOPDTQHZSA-N -1 0 321.804 3.509 20 0 DHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(C(=O)[O-])s1 ZINC001594617175 986638057 /nfs/dbraw/zinc/63/80/57/986638057.db2.gz ZBMQUQDIDWDWJF-QMMMGPOBSA-N -1 0 321.785 3.691 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(C(=O)[O-])s1 ZINC001594617168 986638333 /nfs/dbraw/zinc/63/83/33/986638333.db2.gz ZBMQUQDIDWDWJF-MRVPVSSYSA-N -1 0 321.785 3.691 20 0 DHADRM C[C@@H]1Cc2cccc(F)c2N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594620332 986656404 /nfs/dbraw/zinc/65/64/04/986656404.db2.gz NWXFEMXRMZCHOS-LLVKDONJSA-N -1 0 317.335 3.862 20 0 DHADRM C[C@H]1Cc2ccccc2N1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001594624574 986686039 /nfs/dbraw/zinc/68/60/39/986686039.db2.gz YNYYZTWUQPXEHG-ZDUSSCGKSA-N -1 0 318.376 3.884 20 0 DHADRM C[C@@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccncc1 ZINC001589428046 986696399 /nfs/dbraw/zinc/69/63/99/986696399.db2.gz ASFAXIBLBFJRQX-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597100561 986707181 /nfs/dbraw/zinc/70/71/81/986707181.db2.gz OWNRWGHQHRPMDK-UHFFFAOYSA-N -1 0 317.360 3.555 20 0 DHADRM C[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)(C)C ZINC001589430285 986716049 /nfs/dbraw/zinc/71/60/49/986716049.db2.gz SQXUHRZTRDDWAD-SSDOTTSWSA-N -1 0 301.745 3.798 20 0 DHADRM CCOc1ccc(NC(=O)CC[C@@H](C)CC)c(C(=O)[O-])c1F ZINC001597111850 986770460 /nfs/dbraw/zinc/77/04/60/986770460.db2.gz MLFSLFPXDRSUNJ-JTQLQIEISA-N -1 0 311.353 3.687 20 0 DHADRM C[C@@H](C(=O)Nc1sccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589448602 986827618 /nfs/dbraw/zinc/82/76/18/986827618.db2.gz PLUCNBWYMFMTSR-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC001597124090 986829556 /nfs/dbraw/zinc/82/95/56/986829556.db2.gz VMHHESISDNIZBZ-UHFFFAOYSA-N -1 0 303.333 3.843 20 0 DHADRM CCOc1ccc(SCCOc2ccccc2C(=O)[O-])cc1 ZINC001597139655 986880364 /nfs/dbraw/zinc/88/03/64/986880364.db2.gz DMGAQQHSVBVTFM-UHFFFAOYSA-N -1 0 318.394 3.955 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC1(C)CCCC1)c1ccccc1 ZINC001589459118 986906790 /nfs/dbraw/zinc/90/67/90/986906790.db2.gz VUXOKWGCPVZXRC-BBRMVZONSA-N -1 0 303.402 3.535 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC001589470023 986951053 /nfs/dbraw/zinc/95/10/53/986951053.db2.gz UDNQTJKXGCSESW-TVQRCGJNSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cscc1Cl)c1ccccc1 ZINC001589470275 986953032 /nfs/dbraw/zinc/95/30/32/986953032.db2.gz XZLCZQUXWCCNTG-TVQRCGJNSA-N -1 0 323.801 3.593 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)C1CCC1 ZINC001589470692 986955846 /nfs/dbraw/zinc/95/58/46/986955846.db2.gz BGRGPNBBSRPWSO-ZLCUAUFJSA-N -1 0 321.461 3.859 20 0 DHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccsc1C(=O)[O-] ZINC001594666253 986964706 /nfs/dbraw/zinc/96/47/06/986964706.db2.gz SUBSNHFMTIGKIU-VIFPVBQESA-N -1 0 323.364 3.844 20 0 DHADRM C[C@H]1c2c(F)cccc2CCN1c1ncc(C(=O)[O-])cc1Cl ZINC001594666404 986965517 /nfs/dbraw/zinc/96/55/17/986965517.db2.gz VIMVDDKIDXTVEQ-VIFPVBQESA-N -1 0 320.751 3.696 20 0 DHADRM C[C@@H]1c2ccc(F)cc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594668589 986977072 /nfs/dbraw/zinc/97/70/72/986977072.db2.gz WIAVSPPRLWDBBD-LLVKDONJSA-N -1 0 317.335 3.782 20 0 DHADRM C/C=C(\CC)C(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594676874 987009550 /nfs/dbraw/zinc/00/95/50/987009550.db2.gz SKAMHHMKCDOABN-KBNZMGLGSA-N -1 0 316.275 3.731 20 0 DHADRM C/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677598 987016033 /nfs/dbraw/zinc/01/60/33/987016033.db2.gz PKQNZZHZZQAVTC-CGAJTASUSA-N -1 0 303.141 3.629 20 0 DHADRM C/C=C(\C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677602 987016775 /nfs/dbraw/zinc/01/67/75/987016775.db2.gz PKQNZZHZZQAVTC-KTROKBFUSA-N -1 0 303.141 3.629 20 0 DHADRM CCOc1ccccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597173613 987020380 /nfs/dbraw/zinc/02/03/80/987020380.db2.gz ZEZNFCGJLGRGSR-UHFFFAOYSA-N -1 0 320.728 3.656 20 0 DHADRM C/C=C/C=C\C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594683948 987042898 /nfs/dbraw/zinc/04/28/98/987042898.db2.gz JICCOYSZYCQPJM-IAROGAJJSA-N -1 0 300.141 3.762 20 0 DHADRM CCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001597180181 987043160 /nfs/dbraw/zinc/04/31/60/987043160.db2.gz YVINCGSQSMZADR-UHFFFAOYSA-N -1 0 320.370 3.797 20 0 DHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001594686462 987066590 /nfs/dbraw/zinc/06/65/90/987066590.db2.gz WGQIOWHPXZDXHE-KXMPLOMGSA-N -1 0 308.403 3.656 20 0 DHADRM CC/C(=C/C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc(C)cc1 ZINC001594691667 987093413 /nfs/dbraw/zinc/09/34/13/987093413.db2.gz WVVYKPJBJPSCHL-SYCZXOQXSA-N -1 0 317.429 3.794 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC(F)(F)C2)cc1 ZINC001589504022 987111574 /nfs/dbraw/zinc/11/15/74/987111574.db2.gz JJKKLIIXXVYNKY-QWRGUYRKSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3ccncc32)cc1 ZINC001589520814 987163032 /nfs/dbraw/zinc/16/30/32/987163032.db2.gz DBWLMYGVMURSJZ-LBPRGKRZSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccsc2Cl)cc1 ZINC001589521888 987171434 /nfs/dbraw/zinc/17/14/34/987171434.db2.gz WJPQTHRZCJSGPE-MRVPVSSYSA-N -1 0 309.774 3.842 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 ZINC001589522597 987179952 /nfs/dbraw/zinc/17/99/52/987179952.db2.gz LRCMOGKERYIGIF-RUZGCFLTSA-N -1 0 323.392 3.863 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2coc3ccccc23)c1 ZINC001589531907 987208307 /nfs/dbraw/zinc/20/83/07/987208307.db2.gz KPBJYZZXFXFMEN-LLVKDONJSA-N -1 0 309.321 3.873 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@H](O)c2ccccc2Cl)c1 ZINC001589532039 987209710 /nfs/dbraw/zinc/20/97/10/987209710.db2.gz NJHXFXUNNAPRQP-ZBEGNZNMSA-N -1 0 319.788 3.674 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(F)cc(Cl)c2)c1 ZINC001589532121 987210674 /nfs/dbraw/zinc/21/06/74/987210674.db2.gz MSDVRVMOLKDNKC-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(F)c(F)c2)c1 ZINC001589532487 987215148 /nfs/dbraw/zinc/21/51/48/987215148.db2.gz DZCSFRIQQYMHNO-SECBINFHSA-N -1 0 320.295 3.797 20 0 DHADRM CC[C@@H](C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594724682 987221564 /nfs/dbraw/zinc/22/15/64/987221564.db2.gz AROQXWWVRFEDBE-YWIABWOTSA-N -1 0 309.450 3.551 20 0 DHADRM CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)C1CCC(C)CC1 ZINC001594729163 987240026 /nfs/dbraw/zinc/24/00/26/987240026.db2.gz NMNJADHFQWPLOW-ZDSIWDHJSA-N -1 0 309.450 3.599 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2nc(C3CCCC3)no2)c1 ZINC001589540462 987244366 /nfs/dbraw/zinc/24/43/66/987244366.db2.gz YJFIZEFIYSFNEK-NSHDSACASA-N -1 0 315.373 3.527 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2nc(C3CCCC3)no2)c1 ZINC001589540460 987244414 /nfs/dbraw/zinc/24/44/14/987244414.db2.gz YJFIZEFIYSFNEK-LLVKDONJSA-N -1 0 315.373 3.527 20 0 DHADRM CCS[C@@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001597251821 987245070 /nfs/dbraw/zinc/24/50/70/987245070.db2.gz XMKMQLSOZPDVOX-GXFFZTMASA-N -1 0 314.403 3.668 20 0 DHADRM C[C@H](C(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccsc1 ZINC001589548076 987273531 /nfs/dbraw/zinc/27/35/31/987273531.db2.gz AFUHQBNWLYFWPK-VIFPVBQESA-N -1 0 324.785 3.947 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589551911 987284494 /nfs/dbraw/zinc/28/44/94/987284494.db2.gz AJJMUNFDAMRMLH-GFCCVEGCSA-N -1 0 323.348 3.586 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 ZINC001594739961 987284658 /nfs/dbraw/zinc/28/46/58/987284658.db2.gz FAAXCHBPHHPLGM-MRXNPFEDSA-N -1 0 315.369 3.540 20 0 DHADRM CCSCc1cccnc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001597267805 987305909 /nfs/dbraw/zinc/30/59/09/987305909.db2.gz PZCCEIWWALDVIY-SGMGOOAPSA-N -1 0 308.447 3.636 20 0 DHADRM CCSc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cn1 ZINC001597271170 987317764 /nfs/dbraw/zinc/31/77/64/987317764.db2.gz XSOIVSRURWWOHJ-UHFFFAOYSA-N -1 0 322.411 3.514 20 0 DHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)C1CCCC1 ZINC001589567751 987334326 /nfs/dbraw/zinc/33/43/26/987334326.db2.gz UUCXZQUXATYTJQ-HNNXBMFYSA-N -1 0 309.450 3.600 20 0 DHADRM CCSc1nnc(S[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001597278919 987337861 /nfs/dbraw/zinc/33/78/61/987337861.db2.gz AAOPAYTWKCLASQ-SECBINFHSA-N -1 0 312.441 3.568 20 0 DHADRM CCSc1ccccc1C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC001597280103 987349577 /nfs/dbraw/zinc/34/95/77/987349577.db2.gz YNYHATNBFDCWFP-UHFFFAOYSA-N -1 0 320.366 3.755 20 0 DHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CCC1 ZINC001589581101 987362510 /nfs/dbraw/zinc/36/25/10/987362510.db2.gz ZTHWJUOVZJEGSM-UHFFFAOYSA-N -1 0 312.369 3.698 20 0 DHADRM CC[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C)c(F)c1 ZINC001597286147 987366143 /nfs/dbraw/zinc/36/61/43/987366143.db2.gz NIXTUYYMDXBOKM-IIAWOOMASA-N -1 0 321.392 3.592 20 0 DHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001597288359 987369986 /nfs/dbraw/zinc/36/99/86/987369986.db2.gz 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ZINC001597355054 987500587 /nfs/dbraw/zinc/50/05/87/987500587.db2.gz ZWOHMAKIAXBCAH-UHFFFAOYSA-N -1 0 320.433 3.769 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)CC1 ZINC001597356534 987506160 /nfs/dbraw/zinc/50/61/60/987506160.db2.gz XPKWFKXAZIVSNA-HAQNSBGRSA-N -1 0 305.374 3.554 20 0 DHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@H]2CCCCC2(C)C)n1 ZINC001589648982 987584620 /nfs/dbraw/zinc/58/46/20/987584620.db2.gz HVXDDSLACISSTH-SNVBAGLBSA-N -1 0 324.446 3.660 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001597400902 987667217 /nfs/dbraw/zinc/66/72/17/987667217.db2.gz SMSBFAFANKQJGZ-UHFFFAOYSA-N -1 0 323.348 3.727 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001597406498 987683808 /nfs/dbraw/zinc/68/38/08/987683808.db2.gz RVDFHIQMBFJQNK-ZDUSSCGKSA-N -1 0 317.385 3.614 20 0 DHADRM CCc1cc(Br)ccc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001597423823 987746261 /nfs/dbraw/zinc/74/62/61/987746261.db2.gz HPGDOVWWWKUDOG-CMPLNLGQSA-N -1 0 312.207 3.677 20 0 DHADRM CCc1cc(=O)oc2cc(OCc3ccccc3C(=O)[O-])ccc12 ZINC001597424898 987749754 /nfs/dbraw/zinc/74/97/54/987749754.db2.gz ZITBIQGOJWDWEN-UHFFFAOYSA-N -1 0 324.332 3.633 20 0 DHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(C(C)C)n2)s1 ZINC001597445225 987815856 /nfs/dbraw/zinc/81/58/56/987815856.db2.gz ILRNUQGEJLFJPL-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001597449328 987832402 /nfs/dbraw/zinc/83/24/02/987832402.db2.gz AVUFAFURKOTPHT-GJZGRUSLSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@]1(C)CC=CCC1 ZINC001597456831 987866458 /nfs/dbraw/zinc/86/64/58/987866458.db2.gz MERDMSLLUHSGOG-KRWDZBQOSA-N -1 0 302.374 3.568 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C1CC1)C1CCC1 ZINC001597456991 987868483 /nfs/dbraw/zinc/86/84/83/987868483.db2.gz OFRLRFKETFLCIF-INIZCTEOSA-N -1 0 316.401 3.647 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1(CC(C)C)CC1 ZINC001597457542 987874768 /nfs/dbraw/zinc/87/47/68/987874768.db2.gz 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987907781 /nfs/dbraw/zinc/90/77/81/987907781.db2.gz YJWWEKUVQBVMFU-YEORSEQZSA-N -1 0 304.390 3.647 20 0 DHADRM CC(C)(C)C1CC(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001589726735 987913427 /nfs/dbraw/zinc/91/34/27/987913427.db2.gz NJTIHRBNOQURDW-UHFFFAOYSA-N -1 0 314.385 3.877 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1nc(Cl)sc1C ZINC001597466590 987915320 /nfs/dbraw/zinc/91/53/20/987915320.db2.gz ZYSGFSPHJRQOOF-UHFFFAOYSA-N -1 0 324.789 3.618 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001589727770 987925017 /nfs/dbraw/zinc/92/50/17/987925017.db2.gz BDOYHFDRGPDQJV-KBPBESRZSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001589728170 987927285 /nfs/dbraw/zinc/92/72/85/987927285.db2.gz FQJRKRZVPLHEQJ-GHMZBOCLSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001589728184 987927675 /nfs/dbraw/zinc/92/76/75/987927675.db2.gz FXHNXFGEESSXPS-CACDNMLQSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589729310 987942288 /nfs/dbraw/zinc/94/22/88/987942288.db2.gz WVUUGUXHQAPSRC-UONOGXRCSA-N -1 0 318.417 3.505 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001589729499 987945326 /nfs/dbraw/zinc/94/53/26/987945326.db2.gz ZHWGKDKBDXRUMI-JKSUJKDBSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001589732365 987960558 /nfs/dbraw/zinc/96/05/58/987960558.db2.gz JATMYBNIJKYQER-LLVKDONJSA-N -1 0 310.419 3.736 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000474427773 1015349791 /nfs/dbraw/zinc/34/97/91/1015349791.db2.gz QCTGELUNQYXCLU-LLVKDONJSA-N -1 0 319.430 3.601 20 0 DHADRM CS[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790038 987991271 /nfs/dbraw/zinc/99/12/71/987991271.db2.gz BHMPNWUTALEDTB-RYUDHWBXSA-N -1 0 320.241 3.556 20 0 DHADRM CC(C)(C)[C@H]1Cc2ccccc2N(Cc2oncc2C(=O)[O-])C1 ZINC001589738531 988004029 /nfs/dbraw/zinc/00/40/29/988004029.db2.gz OZSYUTYUSJPCBY-ZDUSSCGKSA-N -1 0 314.385 3.598 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001589752010 988059998 /nfs/dbraw/zinc/05/99/98/988059998.db2.gz WOLROTPWGIECAY-INIZCTEOSA-N -1 0 315.413 3.873 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001589752161 988060729 /nfs/dbraw/zinc/06/07/29/988060729.db2.gz YOJPNSXNXNDYOC-CQSZACIVSA-N -1 0 305.418 3.603 20 0 DHADRM CCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)s1 ZINC001597502894 988069587 /nfs/dbraw/zinc/06/95/87/988069587.db2.gz LFSDDGOHUAKNKR-UHFFFAOYSA-N -1 0 307.346 3.709 20 0 DHADRM CC(C)(C)CCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001589766952 988119135 /nfs/dbraw/zinc/11/91/35/988119135.db2.gz TWOJAXWWOYDOCV-OAHLLOKOSA-N -1 0 311.466 3.990 20 0 DHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474441226 1015363481 /nfs/dbraw/zinc/36/34/81/1015363481.db2.gz YZQXTILXOGYHDH-SECBINFHSA-N -1 0 323.751 3.936 20 0 DHADRM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444275 1015364008 /nfs/dbraw/zinc/36/40/08/1015364008.db2.gz HACJLNHOTFZKSE-UHFFFAOYSA-N -1 0 319.763 3.855 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001597523600 988160526 /nfs/dbraw/zinc/16/05/26/988160526.db2.gz YCUZBYZQWFASQP-OAHLLOKOSA-N -1 0 320.433 3.822 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597530788 988188930 /nfs/dbraw/zinc/18/89/30/988188930.db2.gz OMWVEHXHOCVWKK-UHFFFAOYSA-N -1 0 315.344 3.658 20 0 DHADRM CCc1ccc(N(C(=O)c2oc(C(=O)[O-])cc2C)C(C)C)cc1 ZINC001597531139 988190569 /nfs/dbraw/zinc/19/05/69/988190569.db2.gz YAWGQDHOPINTAZ-UHFFFAOYSA-N -1 0 315.369 3.904 20 0 DHADRM CSCCc1ccccc1NCc1ccsc1C(=O)[O-] ZINC001599801922 988191456 /nfs/dbraw/zinc/19/14/56/988191456.db2.gz LPRSOJIOHHFCAR-UHFFFAOYSA-N -1 0 307.440 3.964 20 0 DHADRM CCc1ccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001597542742 988234091 /nfs/dbraw/zinc/23/40/91/988234091.db2.gz JJTKJJFPQICQKO-VXGBXAGGSA-N -1 0 303.402 3.958 20 0 DHADRM CCc1ccc(NC(=O)c2cccnc2C(F)F)c(C(=O)[O-])c1 ZINC001597550495 988268367 /nfs/dbraw/zinc/26/83/67/988268367.db2.gz FVZSYNAQHFKUMB-UHFFFAOYSA-N -1 0 320.295 3.532 20 0 DHADRM CSc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001599810028 988317938 /nfs/dbraw/zinc/31/79/38/988317938.db2.gz ANYWDLTVPCBPBQ-UHFFFAOYSA-N -1 0 323.320 3.637 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CC(C)(C)CC(F)F ZINC001597572916 988355448 /nfs/dbraw/zinc/35/54/48/988355448.db2.gz OWCKRWRUJCEZMD-UHFFFAOYSA-N -1 0 313.344 3.957 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(C)ccc1F ZINC001597573513 988356948 /nfs/dbraw/zinc/35/69/48/988356948.db2.gz SDZRYQRTHJDSPZ-UHFFFAOYSA-N -1 0 315.344 3.576 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCO[C@@H](C)CC(C)C ZINC001597573509 988357244 /nfs/dbraw/zinc/35/72/44/988357244.db2.gz SCPBRTANPRFERO-ZDUSSCGKSA-N -1 0 321.417 3.727 20 0 DHADRM CSc1ccc(C)c(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC001599812613 988363614 /nfs/dbraw/zinc/36/36/14/988363614.db2.gz NTINRAFLTILUJQ-XQRVVYSFSA-N -1 0 317.366 3.660 20 0 DHADRM CCc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001597581244 988387635 /nfs/dbraw/zinc/38/76/35/988387635.db2.gz SOMJGYZJMLRVGH-UHFFFAOYSA-N -1 0 311.381 3.691 20 0 DHADRM CSc1ccc(N(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599814200 988392301 /nfs/dbraw/zinc/39/23/01/988392301.db2.gz HMWDBIVKTOPKKR-UHFFFAOYSA-N -1 0 316.382 3.775 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2csc3c2CCCC3)c1 ZINC000013094816 1015381340 /nfs/dbraw/zinc/38/13/40/1015381340.db2.gz FTGYMBDQAKLXHY-UHFFFAOYSA-N -1 0 301.367 3.577 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(F)c(F)c1F ZINC001597593058 988425322 /nfs/dbraw/zinc/42/53/22/988425322.db2.gz LOFZKRHGZKHZRC-UHFFFAOYSA-N -1 0 323.270 3.617 20 0 DHADRM CCc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1O ZINC001597595275 988440000 /nfs/dbraw/zinc/44/00/00/988440000.db2.gz LYMNTODGESVHCR-UHFFFAOYSA-N -1 0 319.744 3.559 20 0 DHADRM CSc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1C(=O)[O-] ZINC001599817688 988455021 /nfs/dbraw/zinc/45/50/21/988455021.db2.gz WCDRCORNVHPROS-QWRGUYRKSA-N -1 0 322.430 3.617 20 0 DHADRM CCc1cccc2cc(CN[C@H](C(=O)[O-])c3ccccc3)oc21 ZINC001597603737 988472172 /nfs/dbraw/zinc/47/21/72/988472172.db2.gz RAOIDKTXQSRIDG-KRWDZBQOSA-N -1 0 309.365 3.911 20 0 DHADRM CCc1ccccc1C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001597604033 988477034 /nfs/dbraw/zinc/47/70/34/988477034.db2.gz AAPQFABWZSOJSD-UHFFFAOYSA-N -1 0 323.392 3.849 20 0 DHADRM CSc1ccc(NC(=O)NCC2(C(C)C)CC2)cc1C(=O)[O-] ZINC001599819550 988487588 /nfs/dbraw/zinc/48/75/88/988487588.db2.gz ZZIIYVKGHKEYAD-UHFFFAOYSA-N -1 0 322.430 3.664 20 0 DHADRM CCc1ccccc1CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001597609119 988491268 /nfs/dbraw/zinc/49/12/68/988491268.db2.gz KOOULCJSQPWWOD-UHFFFAOYSA-N -1 0 317.772 3.782 20 0 DHADRM CSc1ccc([C@H](C)OC(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001599820914 988512195 /nfs/dbraw/zinc/51/21/95/988512195.db2.gz HNUAJSRSMGHMAE-JTQLQIEISA-N -1 0 320.366 3.926 20 0 DHADRM CCc1ccccc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001597614345 988517454 /nfs/dbraw/zinc/51/74/54/988517454.db2.gz BMSLDDKBHUVSOC-UHFFFAOYSA-N -1 0 316.357 3.513 20 0 DHADRM CSc1ccccc1[C@H](C)Nc1ccc(C(=O)[O-])c(C)n1 ZINC001599825526 988592923 /nfs/dbraw/zinc/59/29/23/988592923.db2.gz DOOVDBAKQRUBIM-JTQLQIEISA-N -1 0 302.399 3.983 20 0 DHADRM CCc1cncc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001597634543 988610916 /nfs/dbraw/zinc/61/09/16/988610916.db2.gz OHHRISZKRLXJOQ-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1csc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)n1 ZINC001597642217 988644370 /nfs/dbraw/zinc/64/43/70/988644370.db2.gz WTLDDNTWRAPAIX-UHFFFAOYSA-N -1 0 319.411 3.572 20 0 DHADRM CCc1nc(C)cc(N[C@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001597660721 988727089 /nfs/dbraw/zinc/72/70/89/988727089.db2.gz AWOBAMVNLBSYMV-OAHLLOKOSA-N -1 0 319.449 3.963 20 0 DHADRM CCc1nc(NC(=O)c2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC001597682246 988820311 /nfs/dbraw/zinc/82/03/11/988820311.db2.gz VALTZEBUTNGYKB-UHFFFAOYSA-N -1 0 318.398 3.779 20 0 DHADRM CCc1nc2ccc(NCc3cc(C(=O)[O-])c(C)[nH]3)cc2s1 ZINC001597690202 988865029 /nfs/dbraw/zinc/86/50/29/988865029.db2.gz BMRSMIHYBDICQM-UHFFFAOYSA-N -1 0 315.398 3.806 20 0 DHADRM CCc1nc(S[C@@H](C(=O)[O-])c2cccc(OC)c2)sc1C ZINC001597690405 988870844 /nfs/dbraw/zinc/87/08/44/988870844.db2.gz VEHXIDWYIYHFTN-CYBMUJFWSA-N -1 0 323.439 3.941 20 0 DHADRM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599848430 988973345 /nfs/dbraw/zinc/97/33/45/988973345.db2.gz JUYYGKOKZDZEIR-GHMZBOCLSA-N -1 0 309.793 3.546 20 0 DHADRM CCc1nnc(SCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597735846 989081111 /nfs/dbraw/zinc/08/11/11/989081111.db2.gz KYOIUNCTVPDEJB-UHFFFAOYSA-N -1 0 314.819 3.744 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN(C[C@H]1CCC[C@@H](C)C1)OC ZINC001597761521 989189769 /nfs/dbraw/zinc/18/97/69/989189769.db2.gz JFXQEIHMPNLZDZ-OLZOCXBDSA-N -1 0 309.406 3.730 20 0 DHADRM CCc1oc(CN2C[C@@H](C)Oc3cc(C)ccc32)cc1C(=O)[O-] ZINC001597797320 989359262 /nfs/dbraw/zinc/35/92/62/989359262.db2.gz XKGCXSLVSVYXFD-GFCCVEGCSA-N -1 0 315.369 3.636 20 0 DHADRM CCc1oc(CN[C@@H]2CSCc3ccccc32)cc1C(=O)[O-] ZINC001597801968 989397626 /nfs/dbraw/zinc/39/76/26/989397626.db2.gz JYWURYBOBWTDHR-OAHLLOKOSA-N -1 0 317.410 3.618 20 0 DHADRM CCc1oc(CNc2cccc(-c3ncco3)c2)cc1C(=O)[O-] ZINC001597804919 989409645 /nfs/dbraw/zinc/40/96/45/989409645.db2.gz OTSHGOHGXQTPJO-UHFFFAOYSA-N -1 0 312.325 3.807 20 0 DHADRM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000054165777 1015473784 /nfs/dbraw/zinc/47/37/84/1015473784.db2.gz CUDTZPBGOZXTHK-GFCCVEGCSA-N -1 0 319.788 3.551 20 0 DHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255380762 1015503741 /nfs/dbraw/zinc/50/37/41/1015503741.db2.gz RYXLZKILWKZFNH-PLFFATQSSA-N -1 0 323.458 3.710 20 0 DHADRM CC(C)(C)OC(=O)c1ccccc1OCc1occc1C(=O)[O-] ZINC001590369617 989858665 /nfs/dbraw/zinc/85/86/65/989858665.db2.gz VEFOSLYYLVAAQV-UHFFFAOYSA-N -1 0 318.325 3.512 20 0 DHADRM CC(C)(C)O[C@H]1C[C@H](Nc2cccc(CC(=O)[O-])c2)C1(C)C ZINC001590379593 989890568 /nfs/dbraw/zinc/89/05/68/989890568.db2.gz VSPVPPFCQSQXRJ-GJZGRUSLSA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)(C)OCCCCNc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001590382621 989900374 /nfs/dbraw/zinc/90/03/74/989900374.db2.gz QPVUIHXKUAJNDP-UHFFFAOYSA-N -1 0 304.390 3.873 20 0 DHADRM CC(C)(C)Oc1ccc(C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001590410548 989953207 /nfs/dbraw/zinc/95/32/07/989953207.db2.gz YMFUWPBWECNQNH-UHFFFAOYSA-N -1 0 320.385 3.664 20 0 DHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001590416391 989955685 /nfs/dbraw/zinc/95/56/85/989955685.db2.gz LKJGVZYYVVNOBZ-UHFFFAOYSA-N -1 0 313.353 3.814 20 0 DHADRM CC(C)(C)c1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc(C(C)(C)C)n1 ZINC001590462014 990032899 /nfs/dbraw/zinc/03/28/99/990032899.db2.gz OKJVTZBWCZJRIM-NEPJUHHUSA-N -1 0 319.449 3.737 20 0 DHADRM CC(C)(C)c1cc(N[C@H](CC2CC2)C(=O)[O-])nc(C(C)(C)C)n1 ZINC001590462236 990033920 /nfs/dbraw/zinc/03/39/20/990033920.db2.gz RGHRQIFYSWRZHZ-GFCCVEGCSA-N -1 0 319.449 3.737 20 0 DHADRM CC(C)(C)c1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001590472499 990045580 /nfs/dbraw/zinc/04/55/80/990045580.db2.gz RIHOVNAMMVSQSI-UHFFFAOYSA-N -1 0 315.413 3.596 20 0 DHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2=CCCC2)cc1 ZINC001590481787 990077082 /nfs/dbraw/zinc/07/70/82/990077082.db2.gz UJDHEDJOAABTBM-INIZCTEOSA-N -1 0 315.413 3.726 20 0 DHADRM CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001590493406 990095347 /nfs/dbraw/zinc/09/53/47/990095347.db2.gz KQVYNWAIIYPUJU-HAQNSBGRSA-N -1 0 319.401 3.519 20 0 DHADRM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001590538651 990160788 /nfs/dbraw/zinc/16/07/88/990160788.db2.gz KJMWZKGIGIGZKN-CYBMUJFWSA-N -1 0 310.463 3.564 20 0 DHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2CC23CCCC3)sc1C(=O)[O-] ZINC001590542001 990168379 /nfs/dbraw/zinc/16/83/79/990168379.db2.gz JZJCHLOVEGLFMS-VIFPVBQESA-N -1 0 322.430 3.658 20 0 DHADRM CC(C)(C)c1nc(NC(=O)CC2=CCCCC2)sc1C(=O)[O-] ZINC001590544807 990176585 /nfs/dbraw/zinc/17/65/85/990176585.db2.gz JNHHVOYAKNRKDD-UHFFFAOYSA-N -1 0 322.430 3.968 20 0 DHADRM CN(C(=O)CCCSC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598012516 990183902 /nfs/dbraw/zinc/18/39/02/990183902.db2.gz HKFGQJPZJALFCZ-OAHLLOKOSA-N -1 0 323.458 3.583 20 0 DHADRM CC(C)(/C=C/Cl)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001590615234 990288150 /nfs/dbraw/zinc/28/81/50/990288150.db2.gz OVLSWIPSFRFFID-ONEGZZNKSA-N -1 0 308.687 3.742 20 0 DHADRM CC(C)(CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001590621066 990299194 /nfs/dbraw/zinc/29/91/94/990299194.db2.gz QDVVRLZLUWSWIB-INIZCTEOSA-N -1 0 317.429 3.781 20 0 DHADRM CC(C)(C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(F)c1 ZINC001590628004 990318049 /nfs/dbraw/zinc/31/80/49/990318049.db2.gz VHCFGNMCOGWHMW-INIZCTEOSA-N -1 0 323.408 3.920 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2cccs2)s1 ZINC001590663046 990360879 /nfs/dbraw/zinc/36/08/79/990360879.db2.gz LGECDDMZFLLEEL-UHFFFAOYSA-N -1 0 323.439 3.850 20 0 DHADRM CC(C)(CCNC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-] ZINC001590685193 990399554 /nfs/dbraw/zinc/39/95/54/990399554.db2.gz IAMRGHAGSGRGJI-UHFFFAOYSA-N -1 0 303.402 3.575 20 0 DHADRM CC(C)(CCNc1ccc(OC(F)F)c2cccnc12)C(=O)[O-] ZINC001590693699 990409447 /nfs/dbraw/zinc/40/94/47/990409447.db2.gz ZIGOCSJXOXFTJG-UHFFFAOYSA-N -1 0 324.327 3.749 20 0 DHADRM CC(C)(CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)CC(=O)[O-] ZINC001590706032 990448055 /nfs/dbraw/zinc/44/80/55/990448055.db2.gz DPOAANLMHCIFEO-DFDFAMMDSA-N -1 0 321.461 3.600 20 0 DHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=CCCC1 ZINC001590706602 990452020 /nfs/dbraw/zinc/45/20/20/990452020.db2.gz SHTAUDIUGOWUIJ-UHFFFAOYSA-N -1 0 319.445 3.664 20 0 DHADRM CC(C)C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000013467927 1015567043 /nfs/dbraw/zinc/56/70/43/1015567043.db2.gz AZOAWAJYPLORDL-INIZCTEOSA-N -1 0 317.429 3.925 20 0 DHADRM CC(C)(NC(=O)c1ccccc1CCC(=O)[O-])C1CCCCC1 ZINC001590863833 990755708 /nfs/dbraw/zinc/75/57/08/990755708.db2.gz HVXXJMFFDIBZRX-UHFFFAOYSA-N -1 0 317.429 3.793 20 0 DHADRM CC(C)Oc1ccc(-c2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC000581955224 1015586953 /nfs/dbraw/zinc/58/69/53/1015586953.db2.gz XTNVWFVVOGVDGO-CYBMUJFWSA-N -1 0 300.354 3.993 20 0 DHADRM CC(C)(NCc1ccc(-c2ccccc2C(=O)[O-])o1)C(F)F ZINC001590871230 990776055 /nfs/dbraw/zinc/77/60/55/990776055.db2.gz IIHLJEVHDZWVQK-UHFFFAOYSA-N -1 0 309.312 3.778 20 0 DHADRM CC(C)(O)CCS[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590898711 990848124 /nfs/dbraw/zinc/84/81/24/990848124.db2.gz QYAAICPSIGJICT-LLVKDONJSA-N -1 0 322.348 3.725 20 0 DHADRM CC(C)=C[C@@H]1[C@H](c2nc(-c3cc(C(=O)[O-])co3)no2)C1(C)C ZINC001590914259 990896772 /nfs/dbraw/zinc/89/67/72/990896772.db2.gz DETFADFERROJQP-ZYHUDNBSSA-N -1 0 302.330 3.734 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)C1(C)C ZINC001590915117 990901990 /nfs/dbraw/zinc/90/19/90/990901990.db2.gz PPGLZVRNRFRSGP-TYILLQQXSA-N -1 0 321.461 3.765 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1(C)C ZINC001590915643 990905299 /nfs/dbraw/zinc/90/52/99/990905299.db2.gz ZKRKZWHZWWOYOD-HUUCEWRRSA-N -1 0 301.386 3.870 20 0 DHADRM COc1cccc(OC)c1-c1ccc(C2CC(C(=O)[O-])C2)cc1 ZINC001599683459 990948969 /nfs/dbraw/zinc/94/89/69/990948969.db2.gz XVTWICXWADKAJP-UHFFFAOYSA-N -1 0 312.365 3.949 20 0 DHADRM CC(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001590944424 990987774 /nfs/dbraw/zinc/98/77/74/990987774.db2.gz ULUMOKOXQPJLKB-UHFFFAOYSA-N -1 0 301.795 3.501 20 0 DHADRM CC(C)[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001590969555 991097145 /nfs/dbraw/zinc/09/71/45/991097145.db2.gz FSTRWIPODFFGGK-AWEZNQCLSA-N -1 0 305.418 3.955 20 0 DHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC=CCCC1 ZINC001598291955 991201877 /nfs/dbraw/zinc/20/18/77/991201877.db2.gz DEGYXEKRVMDXKJ-CYBMUJFWSA-N -1 0 316.401 3.526 20 0 DHADRM CC(C)[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024048 991311295 /nfs/dbraw/zinc/31/12/95/991311295.db2.gz HKBZIZZFFLGCCI-CABCVRRESA-N -1 0 307.390 4.000 20 0 DHADRM CC(C)[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001591045656 991423500 /nfs/dbraw/zinc/42/35/00/991423500.db2.gz NFMPRRVOLASYFP-LLVKDONJSA-N -1 0 312.774 3.821 20 0 DHADRM CC(C)[C@H](SCc1ccccc1C(=O)[O-])C(=O)NC(C)(C)C ZINC001591052248 991458042 /nfs/dbraw/zinc/45/80/42/991458042.db2.gz OUFXAEJKSJIRJN-AWEZNQCLSA-N -1 0 323.458 3.557 20 0 DHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001591057514 991467362 /nfs/dbraw/zinc/46/73/62/991467362.db2.gz HHPBOZQOQIYUKZ-BEFAXECRSA-N -1 0 315.413 3.736 20 0 DHADRM CC(C)C1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001591080343 991581123 /nfs/dbraw/zinc/58/11/23/991581123.db2.gz QBNLPRZQHFEKEO-UHFFFAOYSA-N -1 0 321.461 3.600 20 0 DHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591081869 991594915 /nfs/dbraw/zinc/59/49/15/991594915.db2.gz MDRJBCIKMXEIBO-LSDHHAIUSA-N -1 0 309.450 3.743 20 0 DHADRM CC(C)[C@H]1CN(Cc2nc(C(=O)[O-])cs2)c2ccccc21 ZINC001591096802 991694120 /nfs/dbraw/zinc/69/41/20/991694120.db2.gz TWWKNIOOCLIKCN-GFCCVEGCSA-N -1 0 302.399 3.601 20 0 DHADRM CC(C)[C@H]1N(C(=O)c2cccc(C(=O)[O-])c2)CC12CCCCC2 ZINC001591100150 991720385 /nfs/dbraw/zinc/72/03/85/991720385.db2.gz UHPSLWVXRDGGKA-MRXNPFEDSA-N -1 0 315.413 3.816 20 0 DHADRM CC(C)CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591118442 991783965 /nfs/dbraw/zinc/78/39/65/991783965.db2.gz SXQJQGGKEDFDEB-LBPRGKRZSA-N -1 0 305.157 3.708 20 0 DHADRM CC(C)C[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001591120734 991792390 /nfs/dbraw/zinc/79/23/90/991792390.db2.gz NBSFKSXHAQHZCP-GVDBMIGSSA-N -1 0 317.429 3.576 20 0 DHADRM CC(C)C[C@H](C)CC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001591133970 991835710 /nfs/dbraw/zinc/83/57/10/991835710.db2.gz NEZYXXODDIIZDN-JTQLQIEISA-N -1 0 312.435 3.976 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001591138720 991861504 /nfs/dbraw/zinc/86/15/04/991861504.db2.gz SOJSEDRFJZYKSJ-SECBINFHSA-N -1 0 300.738 3.988 20 0 DHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598443855 991874535 /nfs/dbraw/zinc/87/45/35/991874535.db2.gz JTCHPXZVTWGQSH-UHFFFAOYSA-N -1 0 324.380 3.580 20 0 DHADRM CC(C)CC1(C(=O)Oc2ccc(SCC(=O)[O-])cc2)CCC1 ZINC001591192456 992007543 /nfs/dbraw/zinc/00/75/43/992007543.db2.gz NIFZEXAVXNKKDU-UHFFFAOYSA-N -1 0 322.426 3.985 20 0 DHADRM CC(C)CC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CCC1 ZINC001591193260 992009948 /nfs/dbraw/zinc/00/99/48/992009948.db2.gz WPOWPNBDKSCQMP-OAHLLOKOSA-N -1 0 309.450 3.600 20 0 DHADRM CC(C)C[C@H]1CCCCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591205523 992028776 /nfs/dbraw/zinc/02/87/76/992028776.db2.gz JJIJBVJQUFMEEC-ZPIQOJFGSA-N -1 0 319.401 3.808 20 0 DHADRM CC(C)C[C@H]1CCCCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591206862 992036950 /nfs/dbraw/zinc/03/69/50/992036950.db2.gz ZWUREAAMTCXWEO-OAHLLOKOSA-N -1 0 324.465 3.632 20 0 DHADRM CC(C)CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001591222346 992092117 /nfs/dbraw/zinc/09/21/17/992092117.db2.gz SCCFWWGQUNJMFQ-OAHLLOKOSA-N -1 0 305.418 3.966 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591229284 992110908 /nfs/dbraw/zinc/11/09/08/992110908.db2.gz OTDZFFIDIQSCEY-CQSZACIVSA-N -1 0 305.418 3.648 20 0 DHADRM CC(C)CCCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001591236576 992118969 /nfs/dbraw/zinc/11/89/69/992118969.db2.gz LNQOECIVAPREKM-JYJNAYRXSA-N -1 0 309.450 3.837 20 0 DHADRM CC(C)CCCCCC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001591237077 992122177 /nfs/dbraw/zinc/12/21/77/992122177.db2.gz XMXJMRKUNBTOCN-INIZCTEOSA-N -1 0 317.429 3.883 20 0 DHADRM CC(C)CCOC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001591252051 992150846 /nfs/dbraw/zinc/15/08/46/992150846.db2.gz SIOGYOTZRXWXDU-UHFFFAOYSA-N -1 0 321.398 3.872 20 0 DHADRM CC(C)CCOC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591252097 992151688 /nfs/dbraw/zinc/15/16/88/992151688.db2.gz UNDWHRPRBMLCLH-MRXNPFEDSA-N -1 0 315.369 3.738 20 0 DHADRM CC(C)CN(C(=O)CCC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC001591281476 992215821 /nfs/dbraw/zinc/21/58/21/992215821.db2.gz 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ZINC001598508695 992538849 /nfs/dbraw/zinc/53/88/49/992538849.db2.gz WVLDEWMFAYUUDF-QGZVFWFLSA-N -1 0 312.344 3.565 20 0 DHADRM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)c1cccc(O)c1 ZINC001598509062 992544690 /nfs/dbraw/zinc/54/46/90/992544690.db2.gz XGSKHKZQNUNWHY-UHFFFAOYSA-N -1 0 323.348 3.987 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H](F)CC1CCCCC1 ZINC001598510335 992561592 /nfs/dbraw/zinc/56/15/92/992561592.db2.gz PBBRNPKHAZBVQW-MRXNPFEDSA-N -1 0 321.392 3.652 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(Cl)c1 ZINC001598513152 992585568 /nfs/dbraw/zinc/58/55/68/992585568.db2.gz BTELCYOJQPTDMS-UHFFFAOYSA-N -1 0 311.715 3.953 20 0 DHADRM COc1cc(Nc2cc(O)c(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001213592302 1015719550 /nfs/dbraw/zinc/71/95/50/1015719550.db2.gz AYTOYXHARGITCP-UHFFFAOYSA-N -1 0 311.696 3.635 20 0 DHADRM CC(C)Cc1ccc(CSCc2cnc(C(=O)[O-])cn2)cc1 ZINC001591483124 992600110 /nfs/dbraw/zinc/60/01/10/992600110.db2.gz ABHOGBVHWAKYJM-UHFFFAOYSA-N -1 0 316.426 3.807 20 0 DHADRM 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ZINC001599629535 994196329 /nfs/dbraw/zinc/19/63/29/994196329.db2.gz DBEBILSXOKNKAO-UHFFFAOYSA-N -1 0 317.410 3.798 20 0 DHADRM C[C@@H](NC1(c2c(F)cccc2F)CCC1)c1cc(C(=O)[O-])co1 ZINC001593209453 994237242 /nfs/dbraw/zinc/23/72/42/994237242.db2.gz KBJZBBRBOHHXNT-SNVBAGLBSA-N -1 0 321.323 3.986 20 0 DHADRM C[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC001593221328 994323738 /nfs/dbraw/zinc/32/37/38/994323738.db2.gz YQDGVVAYFSMFHU-RNCFNFMXSA-N -1 0 320.389 3.709 20 0 DHADRM C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cc(C(=O)[O-])co1 ZINC001593231093 994371749 /nfs/dbraw/zinc/37/17/49/994371749.db2.gz IKLIFVNVXMLEFS-NOZJJQNGSA-N -1 0 321.760 3.806 20 0 DHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1F ZINC001593288459 994656524 /nfs/dbraw/zinc/65/65/24/994656524.db2.gz KFJOHPLVRUBFHG-VIFPVBQESA-N -1 0 309.287 3.653 20 0 DHADRM COc1cccc([C@H](Sc2ncc(C(C)(C)C)o2)C(=O)[O-])c1 ZINC001599662128 994671919 /nfs/dbraw/zinc/67/19/19/994671919.db2.gz VMXIHMOKHSIVFG-ZDUSSCGKSA-N -1 0 321.398 3.899 20 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1012114332 /nfs/dbraw/zinc/11/43/32/1012114332.db2.gz DFJBLPWRENSGTM-AWEZNQCLSA-N -1 0 315.772 3.719 20 0 DHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(F)c1[O-] ZINC001269750238 1012193674 /nfs/dbraw/zinc/19/36/74/1012193674.db2.gz NPUQEIQFRUYKJP-LJQANCHMSA-N -1 0 313.372 3.769 20 0 DHADRM CC(C)(C)c1nc2[nH]ccc2c(-c2cc(F)c([O-])cc2F)n1 ZINC001206768176 1012238711 /nfs/dbraw/zinc/23/87/11/1012238711.db2.gz PQGKQFQMXQNGIX-UHFFFAOYSA-N -1 0 303.312 3.858 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c1 ZINC000530488619 1012273290 /nfs/dbraw/zinc/27/32/90/1012273290.db2.gz VYJHEZQGRIEMCZ-UHFFFAOYSA-N -1 0 317.410 3.509 20 0 DHADRM C[C@@H](CCCC(F)(F)F)NC(=O)c1c([O-])cc(F)cc1F ZINC000683183661 1012275221 /nfs/dbraw/zinc/27/52/21/1012275221.db2.gz XWFWCHYSJFVXNK-ZETCQYMHSA-N -1 0 311.250 3.521 20 0 DHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000434626783 1012290466 /nfs/dbraw/zinc/29/04/66/1012290466.db2.gz JXLBFRQXFMUPOJ-UHFFFAOYSA-N -1 0 319.426 3.730 20 0 DHADRM COc1cc(F)cc(CNc2ccccc2/C=C/C(=O)[O-])c1 ZINC001171415658 1032615607 /nfs/dbraw/zinc/61/56/07/1032615607.db2.gz FVQLHPRACDQKDJ-VOTSOKGWSA-N -1 0 301.317 3.544 20 0 DHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2O)C1 ZINC000425118231 1012295594 /nfs/dbraw/zinc/29/55/94/1012295594.db2.gz LLCGDBMBZFCEKY-MRXNPFEDSA-N -1 0 311.381 3.711 20 0 DHADRM CCC[C@](C)(CC)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000655050028 1012332565 /nfs/dbraw/zinc/33/25/65/1012332565.db2.gz RCHFITHVLNWDEI-KRWDZBQOSA-N -1 0 316.405 3.641 20 0 DHADRM CCCC(C)(C)CC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000655050067 1012334634 /nfs/dbraw/zinc/33/46/34/1012334634.db2.gz YUIAXLZLDLTOFQ-UHFFFAOYSA-N -1 0 316.405 3.641 20 0 DHADRM CC(C)OCCSc1nnc(Nc2ccccc2F)s1 ZINC000047080311 1012357470 /nfs/dbraw/zinc/35/74/70/1012357470.db2.gz JOHCVSGGMRDJLX-UHFFFAOYSA-N -1 0 313.423 3.938 20 0 DHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000655081752 1012384828 /nfs/dbraw/zinc/38/48/28/1012384828.db2.gz HXPOMIVSMHDNBT-LLVKDONJSA-N -1 0 313.319 3.673 20 0 DHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCc1cscc1Cl ZINC000887319474 1032627711 /nfs/dbraw/zinc/62/77/11/1032627711.db2.gz WRCOWICJJGFROR-CQSZACIVSA-N -1 0 317.838 3.545 20 0 DHADRM C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC000515491321 1012645723 /nfs/dbraw/zinc/64/57/23/1012645723.db2.gz ASFWLNDTAOERCI-OTYXRUKQSA-N -1 0 302.201 3.536 20 0 DHADRM CCc1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)cc1CC ZINC000339688088 1012762911 /nfs/dbraw/zinc/76/29/11/1012762911.db2.gz MZBBDUKAWRZCQQ-UHFFFAOYSA-N -1 0 324.471 3.686 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)o1 ZINC000773235051 1032654564 /nfs/dbraw/zinc/65/45/64/1032654564.db2.gz UBZNQDRAIYOPBV-UHFFFAOYSA-N -1 0 319.354 3.704 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000516840607 1012845618 /nfs/dbraw/zinc/84/56/18/1012845618.db2.gz CSUBWOZFVYQBTO-OCCSQVGLSA-N -1 0 313.401 3.937 20 0 DHADRM CN(C(=O)CC1CCC(C(=O)[O-])CC1)C1CCC(C)(C)CC1 ZINC000517238392 1012938524 /nfs/dbraw/zinc/93/85/24/1012938524.db2.gz HVWDUOYLZJQMFK-UHFFFAOYSA-N -1 0 309.450 3.695 20 0 DHADRM CCCC[C@@H](Sc1nnc(Cc2ccccc2)s1)C(=O)[O-] ZINC000517395339 1012978518 /nfs/dbraw/zinc/97/85/18/1012978518.db2.gz HDAUXRGKMYDLAS-GFCCVEGCSA-N -1 0 322.455 3.864 20 0 DHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C(C)(C)C ZINC000076765145 1013032111 /nfs/dbraw/zinc/03/21/11/1013032111.db2.gz AGJQPCPANYYUSF-MDZDMXLPSA-N -1 0 315.822 3.978 20 0 DHADRM Cc1cc2c(ccc(N)c2F)n1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203329711 1032679237 /nfs/dbraw/zinc/67/92/37/1032679237.db2.gz JEUKVUFILJPXQJ-UHFFFAOYSA-N -1 0 320.270 3.637 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1c(F)cc(F)cc1F ZINC000177999763 1017148822 /nfs/dbraw/zinc/14/88/22/1017148822.db2.gz IXDXVHGWWKPIHK-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2cc(C)ccc2C(=O)[O-])c1 ZINC000563437035 1017161226 /nfs/dbraw/zinc/16/12/26/1017161226.db2.gz SVPXGPVEVWUPKR-ZDUSSCGKSA-N -1 0 300.354 3.774 20 0 DHADRM CC(C)(C)Oc1ccc(-c2ccc(C(=O)[O-])cc2CO)cc1 ZINC000563437190 1017168300 /nfs/dbraw/zinc/16/83/00/1017168300.db2.gz GJWSJBCBVDMFDG-UHFFFAOYSA-N -1 0 300.354 3.721 20 0 DHADRM CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1F ZINC000077011998 1017446848 /nfs/dbraw/zinc/44/68/48/1017446848.db2.gz HEDNZFTUHKPJJX-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000665803811 1017451991 /nfs/dbraw/zinc/45/19/91/1017451991.db2.gz XXGZTVGDCPMJGG-UHFFFAOYSA-N -1 0 305.280 3.749 20 0 DHADRM CC(C)c1nsc(NC(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000874695784 1032708378 /nfs/dbraw/zinc/70/83/78/1032708378.db2.gz NDOUTYNZBFNKDL-UHFFFAOYSA-N -1 0 317.748 3.845 20 0 DHADRM Cc1noc(C)c1[C@H](C)N=c1nc(-c2ccccc2C)[n-]s1 ZINC000623971018 1017618760 /nfs/dbraw/zinc/61/87/60/1017618760.db2.gz HUVZZSNBBRCWSF-JTQLQIEISA-N -1 0 314.414 3.713 20 0 DHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000182020658 1017847818 /nfs/dbraw/zinc/84/78/18/1017847818.db2.gz KGOKEUXQHFMJOT-UHFFFAOYSA-N -1 0 322.386 3.545 20 0 DHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccccc1Cl ZINC000182021406 1017849413 /nfs/dbraw/zinc/84/94/13/1017849413.db2.gz YGKKYBYCFJDGEB-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM Cc1ccc(F)cc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000182289676 1017889872 /nfs/dbraw/zinc/88/98/72/1017889872.db2.gz MGNRRMBJXRGPMU-FNORWQNLSA-N -1 0 300.333 3.916 20 0 DHADRM Cc1csc2[nH]c(C=Cc3cc(C(=O)[O-])cs3)nc(=O)c12 ZINC000445541985 1017901168 /nfs/dbraw/zinc/90/11/68/1017901168.db2.gz WIGMAYAVAFTNTD-NSCUHMNNSA-N -1 0 318.379 3.635 20 0 DHADRM CSc1cccc(C)c1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000634830519 1017956665 /nfs/dbraw/zinc/95/66/65/1017956665.db2.gz ZOIBYFJRNVDPNR-NEPJUHHUSA-N -1 0 307.415 3.546 20 0 DHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC000182850897 1017961507 /nfs/dbraw/zinc/96/15/07/1017961507.db2.gz KPHBRRRTRKCIBA-QMMMGPOBSA-N -1 0 301.308 3.508 20 0 DHADRM C[C@@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(F)(F)F ZINC000426495909 1018004823 /nfs/dbraw/zinc/00/48/23/1018004823.db2.gz MKRKTSYEKFYIJE-SSDOTTSWSA-N -1 0 305.350 3.747 20 0 DHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccs2)s1 ZINC000122498707 1017990783 /nfs/dbraw/zinc/99/07/83/1017990783.db2.gz QOCRJTFUHYJSRS-UHFFFAOYSA-N -1 0 316.473 3.512 20 0 DHADRM Cc1ccc(F)c(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000172555138 1018066257 /nfs/dbraw/zinc/06/62/57/1018066257.db2.gz HETKPNFWTHGXHK-FNORWQNLSA-N -1 0 300.333 3.916 20 0 DHADRM O=C(Nc1ccccc1CCC(F)(F)F)c1ncccc1[O-] ZINC000153977380 1018084504 /nfs/dbraw/zinc/08/45/04/1018084504.db2.gz ODRZSKCJPMRENF-UHFFFAOYSA-N -1 0 310.275 3.534 20 0 DHADRM O=C([O-])CCOc1cccc(/C=C\c2nc3ccccc3o2)c1 ZINC000477130592 1032744376 /nfs/dbraw/zinc/74/43/76/1032744376.db2.gz AKHQSKOJBSBTCJ-HJWRWDBZSA-N -1 0 309.321 3.852 20 0 DHADRM CCCc1ccccc1S(=O)(=O)[N-]c1c(C)noc1C(C)C ZINC000901763688 1018141393 /nfs/dbraw/zinc/14/13/93/1018141393.db2.gz QDOPYWNIMXAWQF-UHFFFAOYSA-N -1 0 322.430 3.860 20 0 DHADRM CCOc1cc([N-]c2nnc(-c3ccco3)o2)c(F)cc1F ZINC001212528888 1018242718 /nfs/dbraw/zinc/24/27/18/1018242718.db2.gz TWLIXWSEWLAKMV-UHFFFAOYSA-N -1 0 307.256 3.750 20 0 DHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000634894339 1018254913 /nfs/dbraw/zinc/25/49/13/1018254913.db2.gz UELNJQHITKLKSI-CQSZACIVSA-N -1 0 323.820 3.895 20 0 DHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@H]1CC2CCC1CC2 ZINC000381458795 1018258332 /nfs/dbraw/zinc/25/83/32/1018258332.db2.gz ADWGBIIVCQHBSR-DLOFLVKXSA-N -1 0 307.821 3.990 20 0 DHADRM CCc1ccccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000446947542 1018299601 /nfs/dbraw/zinc/29/96/01/1018299601.db2.gz YTYSSRZPYMCFIA-UHFFFAOYSA-N -1 0 322.455 3.774 20 0 DHADRM CCC(CC)(CC)CNC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000675220693 1018301433 /nfs/dbraw/zinc/30/14/33/1018301433.db2.gz AAKDJWFGTCPGRP-HNNXBMFYSA-N -1 0 305.418 3.578 20 0 DHADRM Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3[O-])n2)cn1 ZINC000397425717 1018325537 /nfs/dbraw/zinc/32/55/37/1018325537.db2.gz XTVYRIYIZVNJNE-UHFFFAOYSA-N -1 0 301.733 3.774 20 0 DHADRM Cc1cn2nc([N-]c3ccn([C@@H](C)c4ccccc4)n3)sc2n1 ZINC000675295970 1018331869 /nfs/dbraw/zinc/33/18/69/1018331869.db2.gz HWCICUFVEBKASE-LBPRGKRZSA-N -1 0 324.413 3.649 20 0 DHADRM CC(C)(C)C[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)C(F)(F)F ZINC000634919289 1018350661 /nfs/dbraw/zinc/35/06/61/1018350661.db2.gz LDKVVCTYXBHQST-JTQLQIEISA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(C(=O)N=c1nc(-c2ccsc2)[n-]s1)C1CCCC1 ZINC000536069562 1018559647 /nfs/dbraw/zinc/55/96/47/1018559647.db2.gz MEZRFTCRDNQSRN-UHFFFAOYSA-N -1 0 321.471 3.843 20 0 DHADRM O=Cc1ccc(-c2ccc(Cl)cc2CCC(=O)[O-])cc1F ZINC000874973415 1032776341 /nfs/dbraw/zinc/77/63/41/1032776341.db2.gz JTAIMBZLFAFARV-UHFFFAOYSA-N -1 0 306.720 3.976 20 0 DHADRM Cc1ccc(Nc2c(C)nc(Cl)nc2Cl)cc1C(=O)[O-] ZINC001211593818 1018628101 /nfs/dbraw/zinc/62/81/01/1018628101.db2.gz ASSHBZTZKWSMPP-UHFFFAOYSA-N -1 0 312.156 3.842 20 0 DHADRM Cc1ccc(Nc2c(N)cc(Cl)nc2Cl)cc1C(=O)[O-] ZINC001211594168 1018634876 /nfs/dbraw/zinc/63/48/76/1018634876.db2.gz NYFUCBSQDJGADE-UHFFFAOYSA-N -1 0 312.156 3.721 20 0 DHADRM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC001299294690 1018639310 /nfs/dbraw/zinc/63/93/10/1018639310.db2.gz OASRUNNDVPOTGE-LDYMZIIASA-N -1 0 312.152 3.578 20 0 DHADRM CC(C)[C@H](CC(=O)N(CCC(=O)[O-])CC1CC1)c1ccccc1 ZINC000675972157 1018640806 /nfs/dbraw/zinc/64/08/06/1018640806.db2.gz QYSBKHSILHKCFV-KRWDZBQOSA-N -1 0 317.429 3.530 20 0 DHADRM CCOC(=O)N[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000052539124 1018648303 /nfs/dbraw/zinc/64/83/03/1018648303.db2.gz SAYITNQCIZDSNE-UHFFFAOYSA-N -1 0 320.395 3.507 20 0 DHADRM O=Cc1ccc(-c2ccc(Oc3ncccc3C(=O)[O-])cc2)o1 ZINC000874971787 1032776792 /nfs/dbraw/zinc/77/67/92/1032776792.db2.gz XNTBDVHYDSNBFL-UHFFFAOYSA-N -1 0 309.277 3.645 20 0 DHADRM O=Cc1ccc(-c2cc3[nH]c(C(=O)[O-])cc3c(F)c2)cc1F ZINC000874973312 1032777507 /nfs/dbraw/zinc/77/75/07/1032777507.db2.gz SBPJKADYTVAUGW-UHFFFAOYSA-N -1 0 301.248 3.624 20 0 DHADRM Cc1ccc(Nc2nc(Cl)c(Cl)cc2N)cc1C(=O)[O-] ZINC001211599308 1018693755 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Cc1ccc(Nc2ccc3c(c2)NC(=O)CCC3)cc1C(=O)[O-] ZINC001211604285 1018785982 /nfs/dbraw/zinc/78/59/82/1018785982.db2.gz YPZWFCVQXWNIJI-UHFFFAOYSA-N -1 0 310.353 3.712 20 0 DHADRM COC(Cc1ccccc1Nc1ccc(C)c(C(=O)[O-])c1)OC ZINC001211604247 1018786287 /nfs/dbraw/zinc/78/62/87/1018786287.db2.gz WTBSTGWVDDWVGW-UHFFFAOYSA-N -1 0 315.369 3.598 20 0 DHADRM CC[C@@H](C)Sc1ccc(NC(=O)c2n[nH]c(C)c2[O-])c(C)c1 ZINC000676631526 1018788118 /nfs/dbraw/zinc/78/81/18/1018788118.db2.gz YUKVZDVRWGSJFK-SNVBAGLBSA-N -1 0 319.430 3.875 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000385870283 1018795688 /nfs/dbraw/zinc/79/56/88/1018795688.db2.gz JBGUDDXIGLHQSZ-CMDGGOBGSA-N -1 0 315.756 3.619 20 0 DHADRM Cc1ccc(Nc2ccccc2CN2CCCC2=O)cc1C(=O)[O-] ZINC001211606359 1018832160 /nfs/dbraw/zinc/83/21/60/1018832160.db2.gz NKYAKNSQMRALSQ-UHFFFAOYSA-N -1 0 324.380 3.559 20 0 DHADRM CN(CCCCCC(=O)[O-])Cc1cscc1Br ZINC000709850172 1018848445 /nfs/dbraw/zinc/84/84/45/1018848445.db2.gz OIXCBJZDKVDIRD-UHFFFAOYSA-N -1 0 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COc1cccc(-c2noc([N-][C@@H]3COc4ccc(C)cc43)n2)c1 ZINC000811819330 1027103166 /nfs/dbraw/zinc/10/31/66/1027103166.db2.gz OIVRIMCDZDWTOG-OAHLLOKOSA-N -1 0 323.352 3.599 20 0 DHADRM Cc1cnc(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c([O-])c1 ZINC001170646479 1027111237 /nfs/dbraw/zinc/11/12/37/1027111237.db2.gz LAYGTHFMBXAAKC-UHFFFAOYSA-N -1 0 316.788 3.687 20 0 DHADRM C[C@@H](CCC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000571512117 1027130128 /nfs/dbraw/zinc/13/01/28/1027130128.db2.gz ZTNUCEBJNGYKBC-NSHDSACASA-N -1 0 303.383 3.969 20 0 DHADRM C[C@H](CC(=O)c1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000571658883 1027139585 /nfs/dbraw/zinc/13/95/85/1027139585.db2.gz VEECLEBRQWIOFS-GFCCVEGCSA-N -1 0 310.349 3.582 20 0 DHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000571761861 1027146828 /nfs/dbraw/zinc/14/68/28/1027146828.db2.gz WNPHFLWIUYPGGZ-GFCCVEGCSA-N -1 0 321.442 3.912 20 0 DHADRM CC(=O)c1ccc(F)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203333036 1027152396 /nfs/dbraw/zinc/15/23/96/1027152396.db2.gz 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1028409599 /nfs/dbraw/zinc/40/95/99/1028409599.db2.gz GFQAUNGYMCUSPN-ZBFHGGJFSA-N -1 0 320.433 3.649 20 0 DHADRM Cc1ccc(-c2noc(-c3cccc(Br)c3[O-])n2)o1 ZINC000579551444 1028436293 /nfs/dbraw/zinc/43/62/93/1028436293.db2.gz KYIYUQWKBUTXQA-UHFFFAOYSA-N -1 0 321.130 3.773 20 0 DHADRM CC(C)c1occc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000369079178 1028443050 /nfs/dbraw/zinc/44/30/50/1028443050.db2.gz RUVMWSYDPDLYJW-UHFFFAOYSA-N -1 0 319.411 3.657 20 0 DHADRM C[C@@H]1C[C@H]1CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000564521370 1028468444 /nfs/dbraw/zinc/46/84/44/1028468444.db2.gz NBUOLDMEDZJRII-RQJHMYQMSA-N -1 0 318.598 3.793 20 0 DHADRM Cc1ccc(CS(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000564679503 1028487567 /nfs/dbraw/zinc/48/75/67/1028487567.db2.gz BPVLTQLOQDOJMP-UHFFFAOYSA-N -1 0 324.471 3.691 20 0 DHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000565120454 1028542719 /nfs/dbraw/zinc/54/27/19/1028542719.db2.gz LFOMROLZYNZVAA-SNVBAGLBSA-N -1 0 324.833 3.943 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000565372920 1028581727 /nfs/dbraw/zinc/58/17/27/1028581727.db2.gz RUUJQGLXYPDFCG-DIFFPNOSSA-N -1 0 323.820 3.798 20 0 DHADRM O=C([O-])CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000565555199 1028603721 /nfs/dbraw/zinc/60/37/21/1028603721.db2.gz MKMXRZIPTAVBBB-LSDHHAIUSA-N -1 0 323.820 3.737 20 0 DHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000565768344 1028631449 /nfs/dbraw/zinc/63/14/49/1028631449.db2.gz UGGRLPMZHDIKJW-KXMPLOMGSA-N -1 0 317.172 3.534 20 0 DHADRM CCN(Cc1nc(C(=O)[O-])cs1)Cc1cccc(Cl)c1 ZINC000565957083 1028660536 /nfs/dbraw/zinc/66/05/36/1028660536.db2.gz LRGKTIMUGMSZHN-UHFFFAOYSA-N -1 0 310.806 3.517 20 0 DHADRM N#Cc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[O-] ZINC000189946562 1028721676 /nfs/dbraw/zinc/72/16/76/1028721676.db2.gz BIRCGRJCNYULMW-UHFFFAOYSA-N -1 0 320.320 3.831 20 0 DHADRM Cc1nc(=NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)s[n-]1 ZINC000566519020 1028739299 /nfs/dbraw/zinc/73/92/99/1028739299.db2.gz 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Cc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C ZINC001174634043 1034519609 /nfs/dbraw/zinc/51/96/09/1034519609.db2.gz QDIFSBBXFLCBKD-UHFFFAOYSA-N -1 0 311.790 3.947 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(C(C)(C)C)cs1 ZINC001174670109 1034540221 /nfs/dbraw/zinc/54/02/21/1034540221.db2.gz HIHIIRQDIRRQRA-UHFFFAOYSA-N -1 0 306.387 3.891 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(C(F)(F)F)cs1 ZINC001174670060 1034540310 /nfs/dbraw/zinc/54/03/10/1034540310.db2.gz GAVFHEFHPXGERZ-UHFFFAOYSA-N -1 0 318.276 3.612 20 0 DHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(O)c(Cl)cc1F ZINC001174677786 1034545445 /nfs/dbraw/zinc/54/54/45/1034545445.db2.gz PPIFCBHCYOBWCM-UHFFFAOYSA-N -1 0 311.696 3.635 20 0 DHADRM COc1cc(Nc2cc(-c3ccccc3)no2)ccc1C(=O)[O-] ZINC001174681520 1034547570 /nfs/dbraw/zinc/54/75/70/1034547570.db2.gz VVGQXYSNMFELDS-UHFFFAOYSA-N -1 0 310.309 3.792 20 0 DHADRM COc1cc(Nc2ccc3c(c2)[C@@H](O)CCC3)ccc1C(=O)[O-] ZINC001174686016 1034549166 /nfs/dbraw/zinc/54/91/66/1034549166.db2.gz HOECCNNYHJIGCY-INIZCTEOSA-N -1 0 313.353 3.507 20 0 DHADRM COc1cc(Nc2ccc3c(c2)[C@H](O)CCC3)ccc1C(=O)[O-] ZINC001174686017 1034550368 /nfs/dbraw/zinc/55/03/68/1034550368.db2.gz HOECCNNYHJIGCY-MRXNPFEDSA-N -1 0 313.353 3.507 20 0 DHADRM CC1(C)CCCC[C@@H]1n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899354301 1034591246 /nfs/dbraw/zinc/59/12/46/1034591246.db2.gz DZRKJUQTNNGWQC-WDEREUQCSA-N -1 0 302.340 3.742 20 0 DHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccnc2ccccc21 ZINC000899350781 1034598549 /nfs/dbraw/zinc/59/85/49/1034598549.db2.gz PRCZTXJJSKQGKA-ZDUSSCGKSA-N -1 0 319.286 3.526 20 0 DHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(C(=O)[O-])s1 ZINC001174806157 1034630989 /nfs/dbraw/zinc/63/09/89/1034630989.db2.gz VCIUONNPUWGJNX-UHFFFAOYSA-N -1 0 319.773 3.535 20 0 DHADRM Cc1cnn(-c2ccc(C)cc2)c1Nc1ccc(C(=O)[O-])s1 ZINC001174806685 1034631356 /nfs/dbraw/zinc/63/13/56/1034631356.db2.gz CFGBTIHHXBXRCX-UHFFFAOYSA-N -1 0 313.382 3.992 20 0 DHADRM COc1ccc2ncc(Nc3ccc(C(=O)[O-])s3)cc2c1 ZINC001174805796 1034631381 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O=C(Nc1cccc2ccccc21)c1s[n-]c(=O)c1Cl ZINC000555540517 1034794960 /nfs/dbraw/zinc/79/49/60/1034794960.db2.gz TYELIILZRPGMAM-UHFFFAOYSA-N -1 0 304.758 3.908 20 0 DHADRM CCOc1ccc(F)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175084636 1034803972 /nfs/dbraw/zinc/80/39/72/1034803972.db2.gz TYKAFIHKKNOZPK-UHFFFAOYSA-N -1 0 313.332 3.859 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(-c2ccccc2)n1 ZINC001175154786 1034817032 /nfs/dbraw/zinc/81/70/32/1034817032.db2.gz DRIWWAMESBFCNE-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(F)nc(F)c2Cl)cc1F ZINC001175154331 1034817145 /nfs/dbraw/zinc/81/71/45/1034817145.db2.gz JXYPGGATIVXFAV-UHFFFAOYSA-N -1 0 302.639 3.594 20 0 DHADRM COc1cc(C)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC001175156500 1034817494 /nfs/dbraw/zinc/81/74/94/1034817494.db2.gz FVTZNULRLZMJCX-UHFFFAOYSA-N -1 0 305.305 3.593 20 0 DHADRM Cc1cccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175158335 1034818992 /nfs/dbraw/zinc/81/89/92/1034818992.db2.gz LRRNHRSPVMIRLZ-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175157334 1034819013 /nfs/dbraw/zinc/81/90/13/1034819013.db2.gz PUVHVJRNPIUIMT-UHFFFAOYSA-N -1 0 323.707 3.708 20 0 DHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c2ncccc12 ZINC001175160908 1034821857 /nfs/dbraw/zinc/82/18/57/1034821857.db2.gz VHGMXDZUXLFNKQ-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc(C(F)(F)F)c2O)cc1F ZINC001175161550 1034837849 /nfs/dbraw/zinc/83/78/49/1034837849.db2.gz HSALBLXGIFWHKE-UHFFFAOYSA-N -1 0 315.222 3.992 20 0 DHADRM Cc1nonc1[N-]c1c(F)ccc(OCc2ccccc2)c1F ZINC001175166124 1034852240 /nfs/dbraw/zinc/85/22/40/1034852240.db2.gz JTPRXHYVIQXTEB-UHFFFAOYSA-N -1 0 317.295 3.979 20 0 DHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175214929 1034871275 /nfs/dbraw/zinc/87/12/75/1034871275.db2.gz BDFPSDCJZOXJJB-UHFFFAOYSA-N -1 0 323.345 3.732 20 0 DHADRM O=C([O-])c1cc(Nc2cnc(Cl)cc2Cl)ccc1F ZINC001175216183 1034871372 /nfs/dbraw/zinc/87/13/72/1034871372.db2.gz VPZPVGQSYMMSTF-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM O=C([O-])c1cc(Nc2cnc3cccc(F)c3c2)ccc1F ZINC001175220337 1034872931 /nfs/dbraw/zinc/87/29/31/1034872931.db2.gz LNACIHKUBKKIFL-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM COc1nc(Nc2ccc(F)c(C(=O)[O-])c2)cc2ccccc21 ZINC001175220335 1034872955 /nfs/dbraw/zinc/87/29/55/1034872955.db2.gz LKGOEJXSXSSSFY-UHFFFAOYSA-N -1 0 312.300 3.824 20 0 DHADRM Cc1cccc(-n2nccc2Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175220969 1034872978 /nfs/dbraw/zinc/87/29/78/1034872978.db2.gz VECFFSGFRRIDIU-UHFFFAOYSA-N -1 0 311.316 3.762 20 0 DHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000899758898 1034880229 /nfs/dbraw/zinc/88/02/29/1034880229.db2.gz LYOGVFLMXJTCMZ-AADOQKPJSA-N -1 0 321.376 3.691 20 0 DHADRM O=C([O-])c1ccc(Nc2c(Cl)cnnc2Cl)cc1Cl ZINC001175314034 1034929657 /nfs/dbraw/zinc/92/96/57/1034929657.db2.gz AFHSIIJNLDJYFO-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM CSc1cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000899775757 1034893341 /nfs/dbraw/zinc/89/33/41/1034893341.db2.gz NYAHALBXTCGMKC-LBPRGKRZSA-N -1 0 309.431 3.792 20 0 DHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1 ZINC000481606592 1034902817 /nfs/dbraw/zinc/90/28/17/1034902817.db2.gz HUZQSHXBTHPVGF-UHFFFAOYSA-N -1 0 323.389 3.531 20 0 DHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2ccsc2)CC1 ZINC000899820740 1034912872 /nfs/dbraw/zinc/91/28/72/1034912872.db2.gz FDSZCRCYNANMGB-HNNXBMFYSA-N -1 0 323.458 3.591 20 0 DHADRM CC(=O)c1ccc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175271432 1034918596 /nfs/dbraw/zinc/91/85/96/1034918596.db2.gz AYUHOIKQYPGQPA-UHFFFAOYSA-N -1 0 313.284 3.584 20 0 DHADRM O=C([O-])c1ccc(Nc2ncc(Cl)nc2Cl)cc1Cl ZINC001175314299 1034928764 /nfs/dbraw/zinc/92/87/64/1034928764.db2.gz RNWBJDGKKICQQZ-UHFFFAOYSA-N -1 0 318.547 3.879 20 0 DHADRM O=C([O-])c1ccc(Nc2nccnc2C(F)(F)F)cc1Cl ZINC001175314087 1034928933 /nfs/dbraw/zinc/92/89/33/1034928933.db2.gz BTHCFNDEFYFBJM-UHFFFAOYSA-N -1 0 317.654 3.591 20 0 DHADRM Cn1cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2n1 ZINC001175315554 1034929182 /nfs/dbraw/zinc/92/91/82/1034929182.db2.gz IQSIAKHYPKXFAC-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM Cn1ncc2c1cccc2Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175318816 1034930729 /nfs/dbraw/zinc/93/07/29/1034930729.db2.gz GQCNKFHRUDCTSR-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM Nc1cc(Cl)cc2c1cnn2-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322155 1034933926 /nfs/dbraw/zinc/93/39/26/1034933926.db2.gz UUWRNFDWUYXUTK-UHFFFAOYSA-N -1 0 322.151 3.613 20 0 DHADRM O=C([O-])c1cccc(Nc2cnc3c(ccc(F)c3F)c2)c1 ZINC001175328182 1034935800 /nfs/dbraw/zinc/93/58/00/1034935800.db2.gz DCYSNOIQCDRCNS-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM O=C([O-])c1cccc(Nc2cn3cc(C(F)(F)F)ccc3n2)c1 ZINC001175329473 1034936349 /nfs/dbraw/zinc/93/63/49/1034936349.db2.gz YDIBAWXCSRIGJD-UHFFFAOYSA-N -1 0 321.258 3.795 20 0 DHADRM O=C([O-])c1cccc(Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC001175329718 1034937305 /nfs/dbraw/zinc/93/73/05/1034937305.db2.gz ROSYITXEINWKNC-UHFFFAOYSA-N -1 0 324.380 3.755 20 0 DHADRM COCCCOc1ccc(Nc2cccc(C(=O)[O-])c2)cc1F ZINC001175329328 1034937317 /nfs/dbraw/zinc/93/73/17/1034937317.db2.gz MCHILZLSQNNOOT-UHFFFAOYSA-N -1 0 319.332 3.683 20 0 DHADRM CC(C)(C)NC(=O)c1ccccc1Nc1cccc(C(=O)[O-])c1 ZINC001175329601 1034937474 /nfs/dbraw/zinc/93/74/74/1034937474.db2.gz PVMXOXICUPQSAX-UHFFFAOYSA-N -1 0 312.369 3.657 20 0 DHADRM Cc1c(Br)nccc1Nc1cccc(C(=O)[O-])c1 ZINC001175329160 1034937644 /nfs/dbraw/zinc/93/76/44/1034937644.db2.gz UMJROHDZQPSVGT-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM O=C([O-])c1cccc(Nc2cccc(F)c2N2CCCC2)c1 ZINC001175334892 1034938304 /nfs/dbraw/zinc/93/83/04/1034938304.db2.gz NNMPVMUFVJAGLB-UHFFFAOYSA-N -1 0 300.333 3.868 20 0 DHADRM CCS(=O)(=O)c1cccc(Nc2ccc([S-])c(OC)c2)c1 ZINC001175456834 1035006913 /nfs/dbraw/zinc/00/69/13/1035006913.db2.gz VCVLLRVDEGGNAW-UHFFFAOYSA-N -1 0 323.439 3.521 20 0 DHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C)c2)C1(C)C ZINC000042313713 1035033823 /nfs/dbraw/zinc/03/38/23/1035033823.db2.gz FJFFQIGXIUSAPC-CABCVRRESA-N -1 0 321.442 3.879 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccc(C)c2)s1 ZINC000042317093 1035039264 /nfs/dbraw/zinc/03/92/64/1035039264.db2.gz BNQVSUZJFMUVDL-UHFFFAOYSA-N -1 0 323.439 3.643 20 0 DHADRM CCc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175554695 1035041774 /nfs/dbraw/zinc/04/17/74/1035041774.db2.gz HBOFNKVMERLRTO-UHFFFAOYSA-N -1 0 311.790 3.893 20 0 DHADRM Cc1cc(S(=O)(=O)[O-])c(N=C2CCCCC2)cc1Cl ZINC001175752159 1035090922 /nfs/dbraw/zinc/09/09/22/1035090922.db2.gz DFJMHIGWDIJMSY-UHFFFAOYSA-N -1 0 301.795 3.765 20 0 DHADRM O=C([O-])c1cncc(Nc2cnc(C(F)(F)F)cc2Cl)c1 ZINC001175840958 1035129596 /nfs/dbraw/zinc/12/95/96/1035129596.db2.gz WIZWIXFSMQOOCQ-UHFFFAOYSA-N -1 0 317.654 3.591 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(Cl)c(Cl)cc2F)c1 ZINC001175843139 1035130899 /nfs/dbraw/zinc/13/08/99/1035130899.db2.gz ZEMFSMRLDUOVQI-UHFFFAOYSA-N -1 0 301.104 3.969 20 0 DHADRM COc1ccc(C(F)(F)F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175842097 1035130981 /nfs/dbraw/zinc/13/09/81/1035130981.db2.gz OFDNREHTHNVNPL-UHFFFAOYSA-N -1 0 312.247 3.551 20 0 DHADRM CC(C)n1nc(-c2ccccc2)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175841058 1035131004 /nfs/dbraw/zinc/13/10/04/1035131004.db2.gz MHUVZUISBLGGSH-UHFFFAOYSA-N -1 0 322.368 3.968 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001175844105 1035132091 /nfs/dbraw/zinc/13/20/91/1035132091.db2.gz ZUFHROVESVDBSY-UHFFFAOYSA-N -1 0 318.201 3.820 20 0 DHADRM CCOC(=O)c1sc([N-]c2c(C)noc2C)nc1C1CC1 ZINC001176178530 1035213200 /nfs/dbraw/zinc/21/32/00/1035213200.db2.gz WWJWHVIGPOXJBD-UHFFFAOYSA-N -1 0 307.375 3.546 20 0 DHADRM Cc1noc(C)c1Nc1ccc(F)c(Br)c1[O-] ZINC001176182553 1035214492 /nfs/dbraw/zinc/21/44/92/1035214492.db2.gz BUCIKFXBTQDFCS-UHFFFAOYSA-N -1 0 301.115 3.642 20 0 DHADRM Cc1cc(C(F)(F)F)ccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001176206281 1035223740 /nfs/dbraw/zinc/22/37/40/1035223740.db2.gz QPNLEFDLRSMCAY-UHFFFAOYSA-N -1 0 307.275 3.641 20 0 DHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc2ccccc2c1 ZINC000162278639 1035231482 /nfs/dbraw/zinc/23/14/82/1035231482.db2.gz NESFAQIHHIZBFM-UHFFFAOYSA-N -1 0 318.785 3.689 20 0 DHADRM CN(C)c1ncc(Nc2cc(C(F)(F)F)ccc2[S-])cn1 ZINC001176332022 1035242973 /nfs/dbraw/zinc/24/29/73/1035242973.db2.gz VNWQFXFGAJWZIB-UHFFFAOYSA-N -1 0 314.336 3.594 20 0 DHADRM Nc1cc(F)c(C(F)(F)F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176439021 1035264152 /nfs/dbraw/zinc/26/41/52/1035264152.db2.gz KNICSMIHVUYIPE-UHFFFAOYSA-N -1 0 320.267 3.930 20 0 DHADRM Cc1cnn(-c2ccccc2F)c1Nc1csc(C(=O)[O-])c1 ZINC001176436426 1035264272 /nfs/dbraw/zinc/26/42/72/1035264272.db2.gz MPMLWRQFFDFYGI-UHFFFAOYSA-N -1 0 317.345 3.823 20 0 DHADRM COc1ccc2cccnc2c1Nc1csc(C(=O)[O-])c1 ZINC001176441158 1035265028 /nfs/dbraw/zinc/26/50/28/1035265028.db2.gz WKPHORUAIBDNIN-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM CC1(C)COC(c2ccccc2Nc2csc(C(=O)[O-])c2)=N1 ZINC001176440174 1035265112 /nfs/dbraw/zinc/26/51/12/1035265112.db2.gz FXHPWAZWYHUVKS-UHFFFAOYSA-N -1 0 316.382 3.745 20 0 DHADRM COc1cnc2c(cccc2Nc2csc(C(=O)[O-])c2)c1 ZINC001176440434 1035265116 /nfs/dbraw/zinc/26/51/16/1035265116.db2.gz NZUSCCNQLLSXJQ-UHFFFAOYSA-N -1 0 300.339 3.747 20 0 DHADRM Cc1cc(Cl)ncc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581973 1035289025 /nfs/dbraw/zinc/28/90/25/1035289025.db2.gz TWBMBDOUKULQQT-UHFFFAOYSA-N -1 0 302.761 3.903 20 0 DHADRM CCOc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(C)n1 ZINC001176584283 1035289484 /nfs/dbraw/zinc/28/94/84/1035289484.db2.gz HPTRGEDSZNRQRD-UHFFFAOYSA-N -1 0 312.369 3.649 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cncc(OC(F)F)c3)cc2)CC1 ZINC001176586803 1035289714 /nfs/dbraw/zinc/28/97/14/1035289714.db2.gz OPDUIXBSADXXJV-UHFFFAOYSA-N -1 0 320.295 3.543 20 0 DHADRM CC(C)(C)c1nnc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC001176583319 1035289637 /nfs/dbraw/zinc/28/96/37/1035289637.db2.gz XPTDBIPJBBEECP-UHFFFAOYSA-N -1 0 317.414 3.695 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3ncccc3OC(F)F)cc2)CC1 ZINC001176584236 1035289691 /nfs/dbraw/zinc/28/96/91/1035289691.db2.gz GSQVUFZJSFJEIB-UHFFFAOYSA-N -1 0 320.295 3.543 20 0 DHADRM COc1cc(Cl)cnc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584942 1035289756 /nfs/dbraw/zinc/28/97/56/1035289756.db2.gz UJWIFIMBJBKHNT-UHFFFAOYSA-N -1 0 318.760 3.603 20 0 DHADRM COc1nccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1Cl ZINC001176582289 1035289786 /nfs/dbraw/zinc/28/97/86/1035289786.db2.gz VUOLFHQZEXYFCW-UHFFFAOYSA-N -1 0 318.760 3.603 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cnccc3OC(F)F)cc2)CC1 ZINC001176586670 1035290040 /nfs/dbraw/zinc/29/00/40/1035290040.db2.gz KFPJFBVRQJDAHG-UHFFFAOYSA-N -1 0 320.295 3.543 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cccnc3OC(F)F)cc2)CC1 ZINC001176584396 1035290060 /nfs/dbraw/zinc/29/00/60/1035290060.db2.gz KJJVKAPYZIFHSW-UHFFFAOYSA-N -1 0 320.295 3.543 20 0 DHADRM Cn1nc(C2CCC2)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176586673 1035290240 /nfs/dbraw/zinc/29/02/40/1035290240.db2.gz KKQWKUCUUJFSBV-UHFFFAOYSA-N -1 0 311.385 3.547 20 0 DHADRM COc1ccc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589522 1035291502 /nfs/dbraw/zinc/29/15/02/1035291502.db2.gz HQHFSDBAOUYHIW-UHFFFAOYSA-N -1 0 301.317 3.694 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cc3ccccc3oc2=O)cc1 ZINC001176590408 1035291688 /nfs/dbraw/zinc/29/16/88/1035291688.db2.gz XHKBOAZXBZCRJK-JXMROGBWSA-N -1 0 307.305 3.634 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cc(F)cc(F)c3F)cc2)CC1 ZINC001176590330 1035291923 /nfs/dbraw/zinc/29/19/23/1035291923.db2.gz PPNASEQWMNYNFU-UHFFFAOYSA-N -1 0 307.271 3.964 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cccc(-n4cccn4)c3)cc2)CC1 ZINC001176589077 1035291948 /nfs/dbraw/zinc/29/19/48/1035291948.db2.gz AXWLLWGONLBSNN-UHFFFAOYSA-N -1 0 319.364 3.732 20 0 DHADRM C[C@@H]1CCc2cc(N)ccc2N1c1ccc(/C=C/C(=O)[O-])cc1 ZINC001176592527 1035292558 /nfs/dbraw/zinc/29/25/58/1035292558.db2.gz HBCXRWDCTNIFTK-HQIZRNBFSA-N -1 0 308.381 3.839 20 0 DHADRM COc1nccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1Cl ZINC001176592041 1035292724 /nfs/dbraw/zinc/29/27/24/1035292724.db2.gz UXGPBTFGGTZQNA-QPJJXVBHSA-N -1 0 304.733 3.585 20 0 DHADRM O=C([O-])C=Cc1ccc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)cc1 ZINC001176594055 1035292792 /nfs/dbraw/zinc/29/27/92/1035292792.db2.gz MXWAAYWJOHQAOV-ZZXKWVIFSA-N -1 0 324.258 3.647 20 0 DHADRM COCCOc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595208 1035292921 /nfs/dbraw/zinc/29/29/21/1035292921.db2.gz DYGKGYFTECPCOM-JXMROGBWSA-N -1 0 313.353 3.553 20 0 DHADRM Nc1cc(Cl)cc2c1ccn2-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595240 1035292958 /nfs/dbraw/zinc/29/29/58/1035292958.db2.gz GMNQSIPDGXLDIU-ZZXKWVIFSA-N -1 0 312.756 3.964 20 0 DHADRM CN1Cc2c(Nc3ccc(/C=C/C(=O)[O-])cc3)cccc2NC1=O ZINC001176598446 1035306731 /nfs/dbraw/zinc/30/67/31/1035306731.db2.gz XOUBAOXXJRLNKP-JXMROGBWSA-N -1 0 323.352 3.505 20 0 DHADRM Nc1cc(Cl)cc2ccn(-c3ccc(/C=C/C(=O)[O-])cc3)c21 ZINC001176597459 1035306909 /nfs/dbraw/zinc/30/69/09/1035306909.db2.gz POTSQQGBLZYJLT-ZZXKWVIFSA-N -1 0 312.756 3.964 20 0 DHADRM Cc1ccc(CCCO)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176597923 1035307218 /nfs/dbraw/zinc/30/72/18/1035307218.db2.gz 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ZINC000319907025 333417544 /nfs/dbraw/zinc/41/75/44/333417544.db2.gz SRIQJCATOODXNB-GUTXKFCHSA-N -1 0 321.804 3.504 20 0 DHADRM CCC1(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC000391078541 333419375 /nfs/dbraw/zinc/41/93/75/333419375.db2.gz LOYCHTCVOZNNOV-GOSISDBHSA-N -1 0 317.429 3.506 20 0 DHADRM CCC(C)(C)C1CCC(NC(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC000320085948 333424439 /nfs/dbraw/zinc/42/44/39/333424439.db2.gz FMVQYQPOLICSOQ-UHFFFAOYSA-N -1 0 309.450 3.743 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000061823995 333432056 /nfs/dbraw/zinc/43/20/56/333432056.db2.gz HAFZKVMQMJSDES-UHFFFAOYSA-N -1 0 307.415 3.633 20 0 DHADRM CC(C)(C)c1csc(CN(CC(=O)[O-])c2ccccc2)n1 ZINC000094969250 333464090 /nfs/dbraw/zinc/46/40/90/333464090.db2.gz KIUVUOXSSWCIRY-UHFFFAOYSA-N -1 0 304.415 3.532 20 0 DHADRM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236639983 333513214 /nfs/dbraw/zinc/51/32/14/333513214.db2.gz YTEAAHZALISUCJ-INIZCTEOSA-N -1 0 303.402 3.816 20 0 DHADRM CN(Cc1cc2ccccc2o1)C(=O)c1s[n-]c(=O)c1Cl ZINC000339222773 333514143 /nfs/dbraw/zinc/51/41/43/333514143.db2.gz FGEHISLXGMDHKD-UHFFFAOYSA-N -1 0 322.773 3.521 20 0 DHADRM CC(C)c1nc2cc(NC(=O)c3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000531740506 333552207 /nfs/dbraw/zinc/55/22/07/333552207.db2.gz JKUJPDBNMJATPL-UHFFFAOYSA-N -1 0 324.336 3.902 20 0 DHADRM Cc1cc(NC(=O)c2cnc3ccsc3c2)ccc1C(=O)[O-] ZINC000534142427 333562945 /nfs/dbraw/zinc/56/29/45/333562945.db2.gz QQPVECFDNMQQBS-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM C[C@@H](C1CC1)N(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000563375084 333595781 /nfs/dbraw/zinc/59/57/81/333595781.db2.gz AHWJHTKAFLROKY-VIFPVBQESA-N -1 0 313.319 3.814 20 0 DHADRM COc1cccc(-c2ccccc2C(C)(C)C(=O)[O-])c1OC ZINC000563435839 333605146 /nfs/dbraw/zinc/60/51/46/333605146.db2.gz CSVRBZUYPQVTSP-UHFFFAOYSA-N -1 0 300.354 3.733 20 0 DHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000186425562 335157989 /nfs/dbraw/zinc/15/79/89/335157989.db2.gz REAYYCKIIFQRRW-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM CC[C@H](C)c1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)on1 ZINC000414446832 333980574 /nfs/dbraw/zinc/98/05/74/333980574.db2.gz JRMWEUGZMXSUPW-WDEREUQCSA-N -1 0 316.357 3.629 20 0 DHADRM CCCc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccn1 ZINC000436904133 334016204 /nfs/dbraw/zinc/01/62/04/334016204.db2.gz XXESADIIVZFFQW-UHFFFAOYSA-N -1 0 308.740 3.785 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)ccc2Cl)c1 ZINC000436936705 334019406 /nfs/dbraw/zinc/01/94/06/334019406.db2.gz VBKUIDAIEGVWMQ-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCCCCCC(=O)[O-])s1 ZINC000414605959 334039638 /nfs/dbraw/zinc/03/96/38/334039638.db2.gz DLDQFKPRLURTLG-ZDUSSCGKSA-N -1 0 324.446 3.548 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000414619024 334043281 /nfs/dbraw/zinc/04/32/81/334043281.db2.gz SKCYEBJUGDNJIF-OAHLLOKOSA-N -1 0 320.433 3.670 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414622895 334044981 /nfs/dbraw/zinc/04/49/81/334044981.db2.gz GRWISNUASGALSS-HNNXBMFYSA-N -1 0 312.454 3.632 20 0 DHADRM Cc1ccc([C@H](C)N(C)C(=O)NCCCCCC(=O)[O-])c(C)c1 ZINC000414632733 334048545 /nfs/dbraw/zinc/04/85/45/334048545.db2.gz YRGLBPKCHJTNKI-HNNXBMFYSA-N -1 0 320.433 3.651 20 0 DHADRM O=C([O-])c1ccc(CN2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000414637143 334049687 /nfs/dbraw/zinc/04/96/87/334049687.db2.gz LQDKVHYBHKPDQF-GOSISDBHSA-N -1 0 317.335 3.595 20 0 DHADRM CC(C)COc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000414643733 334052796 /nfs/dbraw/zinc/05/27/96/334052796.db2.gz XYGNPLBEOIFKNH-UHFFFAOYSA-N -1 0 313.397 3.961 20 0 DHADRM CC(C)n1ccc(C[C@H](C)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000414651543 334054941 /nfs/dbraw/zinc/05/49/41/334054941.db2.gz GJNXEVHVDWNCLR-AWEZNQCLSA-N -1 0 315.417 3.524 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1Cl ZINC000048806934 334298668 /nfs/dbraw/zinc/29/86/68/334298668.db2.gz WUYHMIPNJWISPX-UHFFFAOYSA-N -1 0 321.785 3.841 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)NCCCC(F)(F)F)C1CCCCC1 ZINC000443032087 338442309 /nfs/dbraw/zinc/44/23/09/338442309.db2.gz HYTYTCSRZSGLOS-AWEZNQCLSA-N -1 0 323.355 3.506 20 0 DHADRM CCCCC1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000049336339 334325916 /nfs/dbraw/zinc/32/59/16/334325916.db2.gz JXNRZDNWIQKFPC-UHFFFAOYSA-N -1 0 301.477 3.775 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(-c2ccccc2)on1 ZINC000534699428 334328340 /nfs/dbraw/zinc/32/83/40/334328340.db2.gz CYBAQQVJBFMQHM-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM Cc1ccc(Cc2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000111688104 334353580 /nfs/dbraw/zinc/35/35/80/334353580.db2.gz SANLPLHYZHFCLA-UHFFFAOYSA-N -1 0 300.745 3.995 20 0 DHADRM Cc1ccccc1Cc1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000111689457 334353748 /nfs/dbraw/zinc/35/37/48/334353748.db2.gz REQYIGXAXZMHKO-UHFFFAOYSA-N -1 0 300.745 3.995 20 0 DHADRM CCCC[C@@H](CC)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000532002226 334368437 /nfs/dbraw/zinc/36/84/37/334368437.db2.gz ASCOAFRYRQZMLS-CYBMUJFWSA-N -1 0 307.390 3.695 20 0 DHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000532004504 334369176 /nfs/dbraw/zinc/36/91/76/334369176.db2.gz IHGOGMUPHZDLQF-CYBMUJFWSA-N -1 0 321.392 3.613 20 0 DHADRM Cc1ccc(C(C)(C)NC(=O)c2cc(F)cc(Cl)c2[O-])cn1 ZINC000416207303 334656831 /nfs/dbraw/zinc/65/68/31/334656831.db2.gz VVSBTAPYUJRPAX-UHFFFAOYSA-N -1 0 322.767 3.553 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(COc2ccccc2F)no1 ZINC000188370480 334690190 /nfs/dbraw/zinc/69/01/90/334690190.db2.gz CUNAFQFLLCALHK-UHFFFAOYSA-N -1 0 320.707 3.814 20 0 DHADRM O=C(C[C@@H]1CCOC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000330525099 334790384 /nfs/dbraw/zinc/79/03/84/334790384.db2.gz CFFJSQXSKHGZFH-LURJTMIESA-N -1 0 324.591 3.718 20 0 DHADRM CC(C)CN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000343997492 335206479 /nfs/dbraw/zinc/20/64/79/335206479.db2.gz XWFRFOXMOTUILF-UHFFFAOYSA-N -1 0 320.392 3.831 20 0 DHADRM CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccncc1 ZINC000344187047 335228467 /nfs/dbraw/zinc/22/84/67/335228467.db2.gz ZVORQKHKWYJKBP-CQSZACIVSA-N -1 0 304.777 3.819 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c(C)o1 ZINC000345100568 335298279 /nfs/dbraw/zinc/29/82/79/335298279.db2.gz IDOKBVBHXADUNE-UHFFFAOYSA-N -1 0 323.414 3.875 20 0 DHADRM CC(=O)c1csc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000345623488 335337590 /nfs/dbraw/zinc/33/75/90/335337590.db2.gz FZMUDLQPIUFMFD-UHFFFAOYSA-N -1 0 313.737 3.701 20 0 DHADRM Cc1csc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000345632132 335338299 /nfs/dbraw/zinc/33/82/99/335338299.db2.gz SODCPVQRONVJKM-UHFFFAOYSA-N -1 0 314.769 3.521 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1scnc1C1CC1 ZINC000345596296 335339801 /nfs/dbraw/zinc/33/98/01/335339801.db2.gz XMJPSCWYXIQLLZ-UHFFFAOYSA-N -1 0 312.753 3.771 20 0 DHADRM CCO[C@@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)C(C)C ZINC000345681973 335341510 /nfs/dbraw/zinc/34/15/10/335341510.db2.gz RYYSPKZVRDLJEE-ZDUSSCGKSA-N -1 0 303.761 3.574 20 0 DHADRM C[C@@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)c1cccnc1 ZINC000345698690 335343021 /nfs/dbraw/zinc/34/30/21/335343021.db2.gz HETRPRBLHPSIPY-VIFPVBQESA-N -1 0 308.740 3.712 20 0 DHADRM CC(=O)CCC(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345669096 335344926 /nfs/dbraw/zinc/34/49/26/335344926.db2.gz DMMMLPULLKTYJE-UHFFFAOYSA-N -1 0 301.745 3.519 20 0 DHADRM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000345767444 335350033 /nfs/dbraw/zinc/35/00/33/335350033.db2.gz BRGVGRSEGBKLMM-OAHLLOKOSA-N -1 0 317.772 3.513 20 0 DHADRM O=C([O-])C[C@@H](NC(=O)C1CCCCCC1)c1ccc(Cl)cc1 ZINC000345957832 335363960 /nfs/dbraw/zinc/36/39/60/335363960.db2.gz KYBMUKUMBNQGIJ-OAHLLOKOSA-N -1 0 323.820 3.942 20 0 DHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)sc1C ZINC000345982238 335367291 /nfs/dbraw/zinc/36/72/91/335367291.db2.gz PVEOEPDLVAFWKW-ZDUSSCGKSA-N -1 0 309.431 3.518 20 0 DHADRM CCn1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c2ccccc21 ZINC000345983819 335367661 /nfs/dbraw/zinc/36/76/61/335367661.db2.gz GVWKYOKWEWMKMR-UHFFFAOYSA-N -1 0 322.364 3.920 20 0 DHADRM C[C@@H]1CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000345982971 335367711 /nfs/dbraw/zinc/36/77/11/335367711.db2.gz DUJNAKAUTRWADY-OSAQELSMSA-N -1 0 323.820 3.798 20 0 DHADRM CCCC[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000347260229 335484034 /nfs/dbraw/zinc/48/40/34/335484034.db2.gz LRDBYYHKCXUEGK-DYVFJYSZSA-N -1 0 313.397 3.703 20 0 DHADRM CCCC[C@@H](NC(=O)[C@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000347261072 335484053 /nfs/dbraw/zinc/48/40/53/335484053.db2.gz MYUFLVKXYGIZTR-HUUCEWRRSA-N -1 0 323.458 3.563 20 0 DHADRM Clc1ccccc1-c1ccc(CN=c2[n-]c(C3CC3)no2)o1 ZINC000347744294 335526323 /nfs/dbraw/zinc/52/63/23/335526323.db2.gz NKRIUFXHFVAEAI-UHFFFAOYSA-N -1 0 315.760 3.894 20 0 DHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccccc1C ZINC000348439931 335587103 /nfs/dbraw/zinc/58/71/03/335587103.db2.gz ICBIPXRVKAVNDK-UHFFFAOYSA-N -1 0 319.357 3.990 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000350067600 335722424 /nfs/dbraw/zinc/72/24/24/335722424.db2.gz AZELBDJURSNGLD-INIZCTEOSA-N -1 0 313.328 3.501 20 0 DHADRM Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(C)n1 ZINC000350128570 335727850 /nfs/dbraw/zinc/72/78/50/335727850.db2.gz XCFILOKJEOKLLV-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000350303549 335743461 /nfs/dbraw/zinc/74/34/61/335743461.db2.gz WDCOCOKJAWHESX-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc3ncccc3c2)cc1 ZINC000191562815 335765644 /nfs/dbraw/zinc/76/56/44/335765644.db2.gz YMDHYAWJHZMXDF-UHFFFAOYSA-N -1 0 320.348 3.504 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCc2c1cc(F)cc2F ZINC000191935898 336002775 /nfs/dbraw/zinc/00/27/75/336002775.db2.gz JWLVDDNCMWEILK-UHFFFAOYSA-N -1 0 309.699 3.527 20 0 DHADRM CO[C@@](C)(C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1F ZINC000192193222 336018174 /nfs/dbraw/zinc/01/81/74/336018174.db2.gz JCAUWRHRBMHXFG-MRXNPFEDSA-N -1 0 323.751 3.685 20 0 DHADRM Cn1ccc2cccc(NC(=O)c3cn[nH]c3-c3ccsc3)c21 ZINC000351746097 336064305 /nfs/dbraw/zinc/06/43/05/336064305.db2.gz QAECEDWVRWZUJR-UHFFFAOYSA-N -1 0 322.393 3.882 20 0 DHADRM CC(C)Cn1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cn1 ZINC000352004508 336187780 /nfs/dbraw/zinc/18/77/80/336187780.db2.gz ABRYMHIINGCGLE-VOTSOKGWSA-N -1 0 311.341 3.549 20 0 DHADRM Cc1sc(/C=C\c2nc3c(s2)C[C@@H](C)CC3)nc1C(=O)[O-] ZINC000352029439 336190418 /nfs/dbraw/zinc/19/04/18/336190418.db2.gz ZNBNFLAYQJHPAO-SLGIHZDVSA-N -1 0 320.439 3.901 20 0 DHADRM CCC(CC)(CC(=O)N[C@H]1CCCc2ccc(C)cc21)C(=O)[O-] ZINC000352205790 336202729 /nfs/dbraw/zinc/20/27/29/336202729.db2.gz IPHROHLXHXJWEA-INIZCTEOSA-N -1 0 317.429 3.770 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000042317953 336238818 /nfs/dbraw/zinc/23/88/18/336238818.db2.gz XHVZMPUDJKJIQU-SNVBAGLBSA-N -1 0 303.745 3.529 20 0 DHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000042317957 336238961 /nfs/dbraw/zinc/23/89/61/336238961.db2.gz FIKMNVAADJQYFD-JTQLQIEISA-N -1 0 303.745 3.529 20 0 DHADRM Cc1cc(NC(=O)c2cn(C)c3ccccc23)cc(C(=O)[O-])c1C ZINC000324724670 336253691 /nfs/dbraw/zinc/25/36/91/336253691.db2.gz HSYZHULHBNQEQP-UHFFFAOYSA-N -1 0 322.364 3.746 20 0 DHADRM CC[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000532594814 336256739 /nfs/dbraw/zinc/25/67/39/336256739.db2.gz IZIXLTGHRAQCGV-OAHLLOKOSA-N -1 0 311.381 3.585 20 0 DHADRM CCOc1nc2cc(C(=O)Nc3cc(F)ccc3C)ccc2[nH]1 ZINC000468863460 336261260 /nfs/dbraw/zinc/26/12/60/336261260.db2.gz HBABGPKIKFPPIL-UHFFFAOYSA-N -1 0 313.332 3.661 20 0 DHADRM CC(C)c1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)s1 ZINC000192846333 336268513 /nfs/dbraw/zinc/26/85/13/336268513.db2.gz VLBGVASRELKIGT-UHFFFAOYSA-N -1 0 317.410 3.542 20 0 DHADRM CC(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000192876420 336279205 /nfs/dbraw/zinc/27/92/05/336279205.db2.gz GYCVTEPZTOGLGH-UHFFFAOYSA-N -1 0 317.410 3.842 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000527052972 336280838 /nfs/dbraw/zinc/28/08/38/336280838.db2.gz RCCLVAWWVQIMGC-IBGZPJMESA-N -1 0 324.380 3.884 20 0 DHADRM CC(C)c1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)s1 ZINC000192909166 336284187 /nfs/dbraw/zinc/28/41/87/336284187.db2.gz FLKKTUIRPSBXEH-UHFFFAOYSA-N -1 0 317.410 3.542 20 0 DHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccccc3)n2)c1 ZINC000303851092 336388689 /nfs/dbraw/zinc/38/86/89/336388689.db2.gz DNYGDNVUFJXWOD-UHFFFAOYSA-N -1 0 321.380 3.954 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCOc2ccccc21 ZINC000353897842 336446657 /nfs/dbraw/zinc/44/66/57/336446657.db2.gz RPBYEJSXUVZPLW-NSHDSACASA-N -1 0 321.735 3.690 20 0 DHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCOc2ccccc21 ZINC000353897841 336446673 /nfs/dbraw/zinc/44/66/73/336446673.db2.gz RPBYEJSXUVZPLW-LLVKDONJSA-N -1 0 321.735 3.690 20 0 DHADRM CS[C@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000358524285 336633435 /nfs/dbraw/zinc/63/34/35/336633435.db2.gz CTLMGLCCYDMTMM-INIZCTEOSA-N -1 0 315.394 3.638 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1c(F)cccc1Cl ZINC000359008271 336652938 /nfs/dbraw/zinc/65/29/38/336652938.db2.gz 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336964971 /nfs/dbraw/zinc/96/49/71/336964971.db2.gz WIVKJIPGRJXKSX-QGZVFWFLSA-N -1 0 324.380 3.519 20 0 DHADRM Cc1cccc([C@H]2C[C@H](NC(=O)c3cc(F)c([O-])c(F)c3)C2)c1 ZINC000373779980 336972419 /nfs/dbraw/zinc/97/24/19/336972419.db2.gz ZTWQUQSDOXFSEX-MQMHXKEQSA-N -1 0 317.335 3.655 20 0 DHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1F ZINC000193482099 337005890 /nfs/dbraw/zinc/00/58/90/337005890.db2.gz MQNSSZGQKNLZML-UHFFFAOYSA-N -1 0 322.336 3.555 20 0 DHADRM CC(C)c1ccc(S([O-])=CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000170972323 337085725 /nfs/dbraw/zinc/08/57/25/337085725.db2.gz UOHAWSRNBCEGDJ-ZCCHDVMBSA-N -1 0 321.486 3.707 20 0 DHADRM CCCc1nc(=NC(=O)Nc2cccc(SC)c2C)s[n-]1 ZINC000582694649 337123440 /nfs/dbraw/zinc/12/34/40/337123440.db2.gz ZZYKFZAJNGBTLJ-UHFFFAOYSA-N -1 0 322.459 3.587 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1c1ccccc1 ZINC000177008666 337152861 /nfs/dbraw/zinc/15/28/61/337152861.db2.gz BXPDPNRWNLTQTQ-HNNXBMFYSA-N -1 0 303.308 3.648 20 0 DHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000183639682 337193872 /nfs/dbraw/zinc/19/38/72/337193872.db2.gz BFGJVKWDTSNLQI-UHFFFAOYSA-N -1 0 321.348 3.661 20 0 DHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000184029943 337194677 /nfs/dbraw/zinc/19/46/77/337194677.db2.gz LTKWVJHQIMLJFI-UHFFFAOYSA-N -1 0 311.428 3.560 20 0 DHADRM O=C([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000183911200 337195436 /nfs/dbraw/zinc/19/54/36/337195436.db2.gz GVMRNYWAYKEDMP-AWEZNQCLSA-N -1 0 317.410 3.662 20 0 DHADRM O=C([O-])CC1(NC(=O)c2ccc3sccc3c2)CCCCC1 ZINC000395272621 337215140 /nfs/dbraw/zinc/21/51/40/337215140.db2.gz AIBSHLNQVIBYTA-UHFFFAOYSA-N -1 0 317.410 3.809 20 0 DHADRM O=C([O-])C[C@H]1CCCN(c2ccnc3cc(F)c(Cl)cc32)C1 ZINC000583013082 337228893 /nfs/dbraw/zinc/22/88/93/337228893.db2.gz LWVWIQOBAFZJKO-SNVBAGLBSA-N -1 0 322.767 3.718 20 0 DHADRM CCCOCCOc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 ZINC000583035316 337232139 /nfs/dbraw/zinc/23/21/39/337232139.db2.gz OSGKOPXLIPRZGC-UHFFFAOYSA-N -1 0 318.344 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OWXHEXVQDPRKNS-UHFFFAOYSA-N -1 0 323.392 3.566 20 0 DHADRM C[C@H](CCc1n[nH]c2ccccc21)Nc1cccc(CC(=O)[O-])c1 ZINC000583799701 337334742 /nfs/dbraw/zinc/33/47/42/337334742.db2.gz DITIEWBNKISMKF-CYBMUJFWSA-N -1 0 323.396 3.623 20 0 DHADRM C/C=C\C[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000583849498 337341876 /nfs/dbraw/zinc/34/18/76/337341876.db2.gz MOPMLWBEXRZDRQ-QUCGXOGASA-N -1 0 317.172 3.534 20 0 DHADRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc2[nH]1 ZINC000031721884 337391326 /nfs/dbraw/zinc/39/13/26/337391326.db2.gz ZCJBWZNPQXHOKZ-UHFFFAOYSA-N -1 0 306.412 3.647 20 0 DHADRM COc1ccc2nc(/C=C/c3c(C)noc3C)cc(C(=O)[O-])c2c1 ZINC000125388518 337411317 /nfs/dbraw/zinc/41/13/17/337411317.db2.gz GXVWZRCYMVLHPN-GQCTYLIASA-N -1 0 324.336 3.717 20 0 DHADRM Cc1cccc2c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])coc21 ZINC000425244866 337443803 /nfs/dbraw/zinc/44/38/03/337443803.db2.gz SSMXUNLKNUJVQL-KSSFIOAISA-N -1 0 315.369 3.505 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000262331325 337447330 /nfs/dbraw/zinc/44/73/30/337447330.db2.gz SNIXSMZKOREMBO-UHFFFAOYSA-N -1 0 315.394 3.506 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236972350 337466721 /nfs/dbraw/zinc/46/67/21/337466721.db2.gz IVNQTRHNSMLJEW-STECZYCISA-N -1 0 317.429 3.529 20 0 DHADRM CN(Cc1cccc2ccccc21)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237123896 337468343 /nfs/dbraw/zinc/46/83/43/337468343.db2.gz IZXYOSJDXABKHP-UHFFFAOYSA-N -1 0 319.360 3.810 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCC1CCCC1 ZINC000237580047 337468959 /nfs/dbraw/zinc/46/89/59/337468959.db2.gz VWZXZIORYBXXQR-QGZVFWFLSA-N -1 0 317.429 3.988 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000237575732 337468991 /nfs/dbraw/zinc/46/89/91/337468991.db2.gz MSEPLOPGSPOCRA-TZMCWYRMSA-N -1 0 321.442 3.769 20 0 DHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237822183 337469598 /nfs/dbraw/zinc/46/95/98/337469598.db2.gz KIXLMRFULZTEID-HOTGVXAUSA-N -1 0 313.328 3.575 20 0 DHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000238064331 337469978 /nfs/dbraw/zinc/46/99/78/337469978.db2.gz HRHOFWJMEFRJQL-UHFFFAOYSA-N -1 0 322.320 3.656 20 0 DHADRM O=C([O-])C1(NC(=O)CCCc2ccc(Cl)cc2)CCCCC1 ZINC000238075873 337470029 /nfs/dbraw/zinc/47/00/29/337470029.db2.gz HHLCATNPVSEIRE-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000238203623 337470143 /nfs/dbraw/zinc/47/01/43/337470143.db2.gz XCYBWIJWRBCGDM-MRXNPFEDSA-N -1 0 313.328 3.501 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(C3CC3)cc2)s[n-]1 ZINC000419008955 337474443 /nfs/dbraw/zinc/47/44/43/337474443.db2.gz VANUTUHPHRLFCG-WDEREUQCSA-N -1 0 303.431 3.718 20 0 DHADRM CC(C)(C)[C@@H]1C[C@@H](N=c2nc(C3CCCC3)[n-]s2)CCO1 ZINC000420618955 337508799 /nfs/dbraw/zinc/50/87/99/337508799.db2.gz XUOFKNOVWNNOLG-STQMWFEESA-N -1 0 309.479 3.623 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000261600949 337606350 /nfs/dbraw/zinc/60/63/50/337606350.db2.gz BLZSPPVJKJFNPH-SFHVURJKSA-N -1 0 317.385 3.503 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cn1 ZINC000261840398 337611451 /nfs/dbraw/zinc/61/14/51/337611451.db2.gz KTYAEUABPFUBKW-QGZVFWFLSA-N -1 0 324.380 3.537 20 0 DHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261935104 337612722 /nfs/dbraw/zinc/61/27/22/337612722.db2.gz LVWAKXGVLOZWDB-OAHLLOKOSA-N -1 0 323.364 3.590 20 0 DHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000262134465 337615290 /nfs/dbraw/zinc/61/52/90/337615290.db2.gz HUIUOXYCZGTYKC-SFHVURJKSA-N -1 0 323.392 3.511 20 0 DHADRM CC(C)C[C@@H]1CCCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262226180 337615986 /nfs/dbraw/zinc/61/59/86/337615986.db2.gz WBKDLEBNBMYXFZ-INIZCTEOSA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@@H](CC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262433529 337617696 /nfs/dbraw/zinc/61/76/96/337617696.db2.gz MVCBAFKFHBZREU-INIZCTEOSA-N -1 0 317.429 3.592 20 0 DHADRM CCC(CC)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccs1 ZINC000262524643 337618919 /nfs/dbraw/zinc/61/89/19/337618919.db2.gz OJYQHMRAPRVHJE-OAHLLOKOSA-N -1 0 323.458 3.987 20 0 DHADRM CCCCSCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262552236 337619176 /nfs/dbraw/zinc/61/91/76/337619176.db2.gz UAMAMRZTZQLJRI-UHFFFAOYSA-N -1 0 309.431 3.864 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000262574432 337619502 /nfs/dbraw/zinc/61/95/02/337619502.db2.gz NSYZYVSFZNAONQ-ULQDDVLXSA-N -1 0 315.413 3.550 20 0 DHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262605369 337619770 /nfs/dbraw/zinc/61/97/70/337619770.db2.gz KNFZYWSHXCJVHX-MLGOLLRUSA-N -1 0 321.392 3.674 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262747694 337620916 /nfs/dbraw/zinc/62/09/16/337620916.db2.gz ICLJGLMGDDEIDO-LBPRGKRZSA-N -1 0 324.380 3.646 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)sc1C ZINC000262815196 337621571 /nfs/dbraw/zinc/62/15/71/337621571.db2.gz BHNPPFKGQUJTDZ-OAHLLOKOSA-N -1 0 317.410 3.537 20 0 DHADRM Cc1ccc2oc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000262851083 337621984 /nfs/dbraw/zinc/62/19/84/337621984.db2.gz BRMHHWXIEALCRM-UGSOOPFHSA-N -1 0 315.369 3.505 20 0 DHADRM CC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCC1 ZINC000262854194 337621990 /nfs/dbraw/zinc/62/19/90/337621990.db2.gz CGEBNZWHCMCZIQ-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM CCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262880657 337622180 /nfs/dbraw/zinc/62/21/80/337622180.db2.gz KNWKSJPVNRCXGK-XIRDDKMYSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)c1ccc(SCC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000262931244 337622489 /nfs/dbraw/zinc/62/24/89/337622489.db2.gz HAASWBWOLLNVQF-UHFFFAOYSA-N -1 0 323.458 3.519 20 0 DHADRM CC1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CCCC1 ZINC000262995547 337622855 /nfs/dbraw/zinc/62/28/55/337622855.db2.gz OYEQCYPKDOOJQD-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM CCC1(CC)CCCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000263038653 337623384 /nfs/dbraw/zinc/62/33/84/337623384.db2.gz RIYQTTDPLNMTDB-UHFFFAOYSA-N -1 0 309.450 3.696 20 0 DHADRM CCC[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])C(C)C ZINC000263099626 337624363 /nfs/dbraw/zinc/62/43/63/337624363.db2.gz ITQOPXOVHODFQQ-CWRNSKLLSA-N -1 0 305.418 3.637 20 0 DHADRM CC1(C)C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263163477 337624947 /nfs/dbraw/zinc/62/49/47/337624947.db2.gz VQSXSHPHBFZGNG-CVEARBPZSA-N -1 0 311.381 3.518 20 0 DHADRM CCSc1ccc([C@H](C)NC(=O)CCCCC(=O)[O-])cc1 ZINC000263236854 337625719 /nfs/dbraw/zinc/62/57/19/337625719.db2.gz BTJHOAYBGJHJHH-LBPRGKRZSA-N -1 0 309.431 3.621 20 0 DHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263266594 337626055 /nfs/dbraw/zinc/62/60/55/337626055.db2.gz HLMIYJTZAVTNDE-INIZCTEOSA-N -1 0 303.402 3.694 20 0 DHADRM C[C@H](CCC1CCCCC1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263300340 337626179 /nfs/dbraw/zinc/62/61/79/337626179.db2.gz WSTXETWHJZIUAI-IUDNXUCKSA-N -1 0 324.465 3.678 20 0 DHADRM CCC[C@](C)(NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000263305242 337626212 /nfs/dbraw/zinc/62/62/12/337626212.db2.gz OGQAFMXZSCQQNJ-INIZCTEOSA-N -1 0 323.389 3.722 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC000263293565 337626249 /nfs/dbraw/zinc/62/62/49/337626249.db2.gz MOTGWRANEJZLSA-BBWFWOEESA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC000263397678 337627771 /nfs/dbraw/zinc/62/77/71/337627771.db2.gz IAMWSKCDVSIGGG-CQSZACIVSA-N -1 0 324.380 3.570 20 0 DHADRM CCc1c(C)sc(NC(=O)c2nc(C)sc2C)c1C(=O)[O-] ZINC000263439050 337629168 /nfs/dbraw/zinc/62/91/68/337629168.db2.gz LZRUWUICCRVCIF-UHFFFAOYSA-N -1 0 324.427 3.643 20 0 DHADRM Cc1coc(-c2cccc(NC3CCC(C(=O)[O-])CC3)c2)n1 ZINC000263454597 337629729 /nfs/dbraw/zinc/62/97/29/337629729.db2.gz HAXBQVAGZYHECD-UHFFFAOYSA-N -1 0 300.358 3.705 20 0 DHADRM CC(C)Cc1ncc(CNc2cccc(CCC(=O)[O-])c2)s1 ZINC000263461298 337629774 /nfs/dbraw/zinc/62/97/74/337629774.db2.gz BROHLNSDWZICIC-UHFFFAOYSA-N -1 0 318.442 3.971 20 0 DHADRM C[C@@H](C(=O)[O-])N(C)c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000263457709 337629777 /nfs/dbraw/zinc/62/97/77/337629777.db2.gz BCGLRPCSEIZFMZ-ZETCQYMHSA-N -1 0 314.719 3.735 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1csc2cc(C)ccc12 ZINC000263483449 337630293 /nfs/dbraw/zinc/63/02/93/337630293.db2.gz BAONLVXXOTVIPB-NSHDSACASA-N -1 0 305.399 3.535 20 0 DHADRM C[C@@H](CCC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000263520182 337631102 /nfs/dbraw/zinc/63/11/02/337631102.db2.gz GUFWBLJIJAGSGA-JKSUJKDBSA-N -1 0 317.429 3.674 20 0 DHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C(C)C ZINC000263535389 337631406 /nfs/dbraw/zinc/63/14/06/337631406.db2.gz OJEHHHHGPMEFCZ-ZBFHGGJFSA-N -1 0 305.418 3.699 20 0 DHADRM CCC1CCC(NC(=O)CC(C)(C)C(F)(F)F)(C(=O)[O-])CC1 ZINC000263534466 337631452 /nfs/dbraw/zinc/63/14/52/337631452.db2.gz NWSQATHLRATBQN-UHFFFAOYSA-N -1 0 323.355 3.505 20 0 DHADRM C[C@H](CCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263535336 337631454 /nfs/dbraw/zinc/63/14/54/337631454.db2.gz 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CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000433523885 338196276 /nfs/dbraw/zinc/19/62/76/338196276.db2.gz FUFJUTQUIPFXRQ-UHFFFAOYSA-N -1 0 319.426 3.879 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC000433837014 338203006 /nfs/dbraw/zinc/20/30/06/338203006.db2.gz RCBSFBVZYXVDHV-NSHDSACASA-N -1 0 323.389 3.846 20 0 DHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000434629370 338221875 /nfs/dbraw/zinc/22/18/75/338221875.db2.gz WDBZUDNCAZQCIV-UHFFFAOYSA-N -1 0 323.389 3.560 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000435711966 338245956 /nfs/dbraw/zinc/24/59/56/338245956.db2.gz VPIGLKZDCULKHK-OWCLPIDISA-N -1 0 309.450 3.743 20 0 DHADRM CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000435712628 338246021 /nfs/dbraw/zinc/24/60/21/338246021.db2.gz DPSDDDNYLBJCQG-QEJZJMRPSA-N -1 0 321.392 3.626 20 0 DHADRM Cc1ccc([C@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000435718010 338246101 /nfs/dbraw/zinc/24/61/01/338246101.db2.gz 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Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCCC(C)(C)C ZINC000550124140 341310541 /nfs/dbraw/zinc/31/05/41/341310541.db2.gz VIRADBSLRHOGGU-UHFFFAOYSA-N -1 0 316.405 3.641 20 0 DHADRM CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c([O-])cc1Cl ZINC000550598583 341319312 /nfs/dbraw/zinc/31/93/12/341319312.db2.gz JUXVADAELGMZLR-AWEZNQCLSA-N -1 0 323.179 3.577 20 0 DHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000082345727 341321894 /nfs/dbraw/zinc/32/18/94/341321894.db2.gz DQMBXENMHKREDG-UHFFFAOYSA-N -1 0 306.774 3.622 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1c[nH]c(-c2ccccc2)n1 ZINC000551056005 341330443 /nfs/dbraw/zinc/33/04/43/341330443.db2.gz ZGJXPBVCSZNEIK-UHFFFAOYSA-N -1 0 321.380 3.949 20 0 DHADRM CCc1ccc(C(=O)[O-])cc1NCc1cccc(OC)c1OC ZINC000551057794 341330480 /nfs/dbraw/zinc/33/04/80/341330480.db2.gz CIRMVDSGSCTHLF-UHFFFAOYSA-N -1 0 315.369 3.577 20 0 DHADRM Cc1ccc(NCc2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000551420544 341341255 /nfs/dbraw/zinc/34/12/55/341341255.db2.gz GHHKYVLVMBDIGW-UHFFFAOYSA-N -1 0 317.772 3.894 20 0 DHADRM O=C([O-])c1cccc(NCc2ccc(OCC(F)F)cc2)c1 ZINC000551422856 341341420 /nfs/dbraw/zinc/34/14/20/341341420.db2.gz LVLPCHRACXOIIH-UHFFFAOYSA-N -1 0 307.296 3.641 20 0 DHADRM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1ccsc1 ZINC000552019184 341361387 /nfs/dbraw/zinc/36/13/87/341361387.db2.gz HOMNGTCHOHVGCS-UHFFFAOYSA-N -1 0 324.814 3.751 20 0 DHADRM C[C@@H]1CCc2ccccc2[C@@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000553144955 341417559 /nfs/dbraw/zinc/41/75/59/341417559.db2.gz MDXIBFGLRNVTIC-LDYMZIIASA-N -1 0 313.348 3.714 20 0 DHADRM Cc1ccccc1[C@H](N=c1nc(C(F)(F)F)[n-]s1)C1CC1 ZINC000553377609 341427224 /nfs/dbraw/zinc/42/72/24/341427224.db2.gz KRIDVAWMYHRAJS-LLVKDONJSA-N -1 0 313.348 3.850 20 0 DHADRM FC(F)(F)c1nc(=Nc2ccc(OCC3CC3)cc2)s[n-]1 ZINC000553382448 341427387 /nfs/dbraw/zinc/42/73/87/341427387.db2.gz QRJQYIWMFNWBFC-UHFFFAOYSA-N -1 0 315.320 3.511 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000554529415 341456690 /nfs/dbraw/zinc/45/66/90/341456690.db2.gz MJZXQQGEHMFMSO-HUUCEWRRSA-N -1 0 303.402 3.720 20 0 DHADRM Cc1ccc(-c2n[nH]cc2C=Cc2cc(C(=O)[O-])ccn2)cc1 ZINC000556280578 341500485 /nfs/dbraw/zinc/50/04/85/341500485.db2.gz OTVMTIFMWSWUKP-VOTSOKGWSA-N -1 0 305.337 3.649 20 0 DHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000261958706 341510325 /nfs/dbraw/zinc/51/03/25/341510325.db2.gz MEBHTHMHKSPBNH-VNHYZAJKSA-N -1 0 321.392 3.530 20 0 DHADRM CCSc1cccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000564983070 341514236 /nfs/dbraw/zinc/51/42/36/341514236.db2.gz NNNUDALQJADBAL-JTQLQIEISA-N -1 0 322.455 3.804 20 0 DHADRM O=C([O-])c1ccccc1CCN(CC1CCC1)CC(F)(F)F ZINC000565106138 341517399 /nfs/dbraw/zinc/51/73/99/341517399.db2.gz OTSZEYNIWIAPOB-UHFFFAOYSA-N -1 0 315.335 3.592 20 0 DHADRM Cn1nnc2ccc(-c3ccc(C4(C(=O)[O-])CCCC4)cc3)cc21 ZINC000565236852 341520914 /nfs/dbraw/zinc/52/09/14/341520914.db2.gz NZMJXQCOJQEDOR-UHFFFAOYSA-N -1 0 321.380 3.532 20 0 DHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000565643512 341533859 /nfs/dbraw/zinc/53/38/59/341533859.db2.gz RTVRZULAQLYTFJ-NMLGDKRHSA-N -1 0 302.823 3.649 20 0 DHADRM COCCOCc1cccc(-c2ccc([C@H](C)C(=O)[O-])s2)c1 ZINC000565667885 341534594 /nfs/dbraw/zinc/53/45/94/341534594.db2.gz QEJLUJFITZGXIA-LBPRGKRZSA-N -1 0 320.410 3.766 20 0 DHADRM O=C([O-])c1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000566238116 341551580 /nfs/dbraw/zinc/55/15/80/341551580.db2.gz DKYAWVHYSGXZIW-UHFFFAOYSA-N -1 0 324.380 3.627 20 0 DHADRM CCOc1cccc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])c1 ZINC000568265320 341662120 /nfs/dbraw/zinc/66/21/20/341662120.db2.gz UIFXDPFRSMNWTD-ZDUSSCGKSA-N -1 0 300.354 3.913 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC/C=C\c1ccccc1 ZINC000568518070 341673615 /nfs/dbraw/zinc/67/36/15/341673615.db2.gz OBNPBWYCIRAAAP-WQLSENKSSA-N -1 0 303.402 3.630 20 0 DHADRM Cc1cc(C)cc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000568826606 341682796 /nfs/dbraw/zinc/68/27/96/341682796.db2.gz RFOPBJDBODZSKZ-INIZCTEOSA-N -1 0 312.369 3.593 20 0 DHADRM CSc1cccc(N(C)C(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000572725721 341701894 /nfs/dbraw/zinc/70/18/94/341701894.db2.gz ZACYSZMYZZBZQM-UHFFFAOYSA-N -1 0 321.442 3.652 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000573850605 341741269 /nfs/dbraw/zinc/74/12/69/341741269.db2.gz VYQLUCSUPKRNAW-GPANFISMSA-N -1 0 309.450 3.695 20 0 DHADRM Cc1cc(-c2csc(C(=O)[O-])c2)ccc1O[C@H]1CCOC1 ZINC000574100092 341748606 /nfs/dbraw/zinc/74/86/06/341748606.db2.gz SMZDWCJDILUBMS-ZDUSSCGKSA-N -1 0 304.367 3.589 20 0 DHADRM C[C@@H]1CCN(c2ccnc3cc(F)c(Cl)cc32)C[C@H]1C(=O)[O-] ZINC000575748308 341802409 /nfs/dbraw/zinc/80/24/09/341802409.db2.gz BLUQVDMWSFEIKK-MWLCHTKSSA-N -1 0 322.767 3.574 20 0 DHADRM COc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000575805632 341805692 /nfs/dbraw/zinc/80/56/92/341805692.db2.gz OXVWIVUYXMVOAI-UHFFFAOYSA-N -1 0 317.360 3.809 20 0 DHADRM Cc1cc(C)cc(C2(C(=O)Nc3cc(C(=O)[O-])cs3)CC2)c1 ZINC000575975273 341817829 /nfs/dbraw/zinc/81/78/29/341817829.db2.gz PCUNVSGCKJEMEK-UHFFFAOYSA-N -1 0 315.394 3.733 20 0 DHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000575988199 341818793 /nfs/dbraw/zinc/81/87/93/341818793.db2.gz AOIFHAJELJWJFX-RDTXWAMCSA-N -1 0 323.392 3.536 20 0 DHADRM Cc1ccsc1-c1nc(=NC(=O)NC(C)(C)C(C)C)s[n-]1 ZINC000576263668 341836891 /nfs/dbraw/zinc/83/68/91/341836891.db2.gz TYMDISBSDFPTCS-UHFFFAOYSA-N -1 0 324.475 3.553 20 0 DHADRM C[C@@H]1CC[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000576766337 341862431 /nfs/dbraw/zinc/86/24/31/341862431.db2.gz VYXDBYJVIXVCDF-ZJUUUORDSA-N -1 0 301.308 3.672 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000580568401 341878216 /nfs/dbraw/zinc/87/82/16/341878216.db2.gz FJYUMKZMWRPODB-AWEZNQCLSA-N -1 0 301.308 3.673 20 0 DHADRM Cc1cccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)c1C ZINC000577078188 341883993 /nfs/dbraw/zinc/88/39/93/341883993.db2.gz TXUHBRYWDZWSGD-SFHVURJKSA-N -1 0 323.392 3.660 20 0 DHADRM O=C([O-])[C@@H]1CCN(Cc2csc(C3CC3)n2)c2ccccc21 ZINC000577166025 341892872 /nfs/dbraw/zinc/89/28/72/341892872.db2.gz MSCHICHZNVDTQY-CQSZACIVSA-N -1 0 314.410 3.599 20 0 DHADRM O=S(=O)(CCc1cccs1)[N-]c1cccc2ccsc21 ZINC000577567887 341918238 /nfs/dbraw/zinc/91/82/38/341918238.db2.gz ZXTUGGFAQFQKNG-UHFFFAOYSA-N -1 0 323.464 3.947 20 0 DHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc3ccccc32)s1 ZINC000360515756 518192577 /nfs/dbraw/zinc/19/25/77/518192577.db2.gz PZYIQMPKNAHQMH-UHFFFAOYSA-N -1 0 318.423 3.714 20 0 DHADRM CC(C)(C)C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000338193111 518676059 /nfs/dbraw/zinc/67/60/59/518676059.db2.gz WLOSCCAMRPDPPT-CYBMUJFWSA-N -1 0 311.809 3.798 20 0 DHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000262824158 519807833 /nfs/dbraw/zinc/80/78/33/519807833.db2.gz BTRVQYWLFDQDQR-YMTOWFKASA-N -1 0 317.838 3.511 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000261599790 519825900 /nfs/dbraw/zinc/82/59/00/519825900.db2.gz BAIFWAQRAAQQKW-HDJSIYSDSA-N -1 0 303.402 3.715 20 0 DHADRM CCC1(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CCC1 ZINC000236638382 519842292 /nfs/dbraw/zinc/84/22/92/519842292.db2.gz RHDKMULLAVRUNC-LBPRGKRZSA-N -1 0 321.442 3.562 20 0 DHADRM CCO[C@@H](C)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127782651 520258217 /nfs/dbraw/zinc/25/82/17/520258217.db2.gz LLVRTVBNCXGBEP-YFKPBYRVSA-N -1 0 312.580 3.716 20 0 DHADRM CCOc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1 ZINC000172488515 520848068 /nfs/dbraw/zinc/84/80/68/520848068.db2.gz BNGHEFKNIBTLBA-JXMROGBWSA-N -1 0 312.369 3.867 20 0 DHADRM CCCN(CCc1cccs1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000263564563 521673517 /nfs/dbraw/zinc/67/35/17/521673517.db2.gz FAMPRUXCOLWKOF-UHFFFAOYSA-N -1 0 323.439 3.603 20 0 DHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000262026417 521995819 /nfs/dbraw/zinc/99/58/19/521995819.db2.gz AHRLTYAPBIIOIC-AWEZNQCLSA-N -1 0 317.410 3.565 20 0 DHADRM CC[C@H](CC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000364160666 522092101 /nfs/dbraw/zinc/09/21/01/522092101.db2.gz LMBSATUNCDEWCR-OAHLLOKOSA-N -1 0 317.429 3.592 20 0 DHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000131300044 522431667 /nfs/dbraw/zinc/43/16/67/522431667.db2.gz QVAUBSGWZQSSAL-SNVBAGLBSA-N -1 0 308.403 3.606 20 0 DHADRM CC[C@@H](NC(=O)c1cc(C)ccc1SC1CCCC1)C(=O)[O-] ZINC000190912760 522776145 /nfs/dbraw/zinc/77/61/45/522776145.db2.gz NMBLMBRNQANSPE-CQSZACIVSA-N -1 0 321.442 3.623 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237002645 522858675 /nfs/dbraw/zinc/85/86/75/522858675.db2.gz XMGAOILNEWYQLF-HNNXBMFYSA-N -1 0 323.364 3.590 20 0 DHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237068841 523628621 /nfs/dbraw/zinc/62/86/21/523628621.db2.gz YMPKXWWCZFDLGT-CQSZACIVSA-N -1 0 315.394 3.596 20 0 DHADRM CC[C@H](C)CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000263134293 523853575 /nfs/dbraw/zinc/85/35/75/523853575.db2.gz LWCAUTKKHIKPHF-LBPRGKRZSA-N -1 0 309.431 3.769 20 0 DHADRM CO[C@H](C)c1nc(=N[C@@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000337920835 523908172 /nfs/dbraw/zinc/90/81/72/523908172.db2.gz ZPLBQWKDTBNOIP-RISCZKNCSA-N -1 0 303.431 3.621 20 0 DHADRM CN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1CCC1 ZINC000263404180 523947125 /nfs/dbraw/zinc/94/71/25/523947125.db2.gz HHYRZHBVBMDTOI-UHFFFAOYSA-N -1 0 309.365 3.676 20 0 DHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCCC(=O)[O-])o1 ZINC000263107540 524039707 /nfs/dbraw/zinc/03/97/07/524039707.db2.gz ADAJEXWVZFTUJB-ZFWWWQNUSA-N -1 0 321.417 3.787 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237642126 524087688 /nfs/dbraw/zinc/08/76/88/524087688.db2.gz AAUGCVDMMIXXHA-KRWDZBQOSA-N -1 0 311.381 3.558 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237642355 524087858 /nfs/dbraw/zinc/08/78/58/524087858.db2.gz AAUGCVDMMIXXHA-QGZVFWFLSA-N -1 0 311.381 3.558 20 0 DHADRM Cc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1Cl ZINC000160233612 524219667 /nfs/dbraw/zinc/21/96/67/524219667.db2.gz IIJDCBZUOAGCRA-UHFFFAOYSA-N -1 0 303.745 3.528 20 0 DHADRM C[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263462723 524220795 /nfs/dbraw/zinc/22/07/95/524220795.db2.gz VZLAIHLYLMGQFV-SCLBCKFNSA-N -1 0 323.392 3.970 20 0 DHADRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1cc2ccccc2s1 ZINC000265213304 524917752 /nfs/dbraw/zinc/91/77/52/524917752.db2.gz MPFFFRPKDUBUAQ-JTQLQIEISA-N -1 0 305.399 3.579 20 0 DHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194392165 525379615 /nfs/dbraw/zinc/37/96/15/525379615.db2.gz VLIVRHYFMOTXBX-DQPZFDDXSA-N -1 0 315.413 3.550 20 0 DHADRM Cc1ccc(-c2ccc(C(=O)NCCCCCC(=O)[O-])s2)o1 ZINC000190880395 525748093 /nfs/dbraw/zinc/74/80/93/525748093.db2.gz PGOUYVOXTNSCNP-UHFFFAOYSA-N -1 0 321.398 3.691 20 0 DHADRM Cc1c2cc(F)ccc2sc1C(=O)NCCCCCC(=O)[O-] ZINC000261972223 525959424 /nfs/dbraw/zinc/95/94/24/525959424.db2.gz DNIHAMAYZZSIKY-UHFFFAOYSA-N -1 0 323.389 3.724 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237539760 525995002 /nfs/dbraw/zinc/99/50/02/525995002.db2.gz NTBSKXPMSGBNNE-OBJOEFQTSA-N -1 0 321.442 3.560 20 0 DHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000237498746 526220805 /nfs/dbraw/zinc/22/08/05/526220805.db2.gz DDMQWEPWVVILKB-CQSZACIVSA-N -1 0 311.381 3.537 20 0 DHADRM C[C@H]1CCCN(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000194440219 526263697 /nfs/dbraw/zinc/26/36/97/526263697.db2.gz NNBAFFRPDGLETH-NFOMZHRRSA-N -1 0 315.413 3.808 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000262024463 526281356 /nfs/dbraw/zinc/28/13/56/526281356.db2.gz GJWFFSPPCMDLPH-KSZLIROESA-N -1 0 323.392 3.614 20 0 DHADRM Cc1cscc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191410232 526463059 /nfs/dbraw/zinc/46/30/59/526463059.db2.gz GUASBAXAXZFKLY-SNVBAGLBSA-N -1 0 303.383 3.572 20 0 DHADRM O=C(CC[C@H]1CCCO1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130126470 526571409 /nfs/dbraw/zinc/57/14/09/526571409.db2.gz OBDKJQBREZYAMB-SECBINFHSA-N -1 0 304.173 3.597 20 0 DHADRM Cc1nc(-c2cccc(NC(=O)CCCCC(=O)[O-])c2)oc1C ZINC000263324072 526585606 /nfs/dbraw/zinc/58/56/06/526585606.db2.gz SENYGPGLFIUWBQ-UHFFFAOYSA-N -1 0 316.357 3.542 20 0 DHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000156560201 527093915 /nfs/dbraw/zinc/09/39/15/527093915.db2.gz RHWKLRUHAWOZRR-LURJTMIESA-N -1 0 324.591 3.718 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000238131040 527579232 /nfs/dbraw/zinc/57/92/32/527579232.db2.gz PVBUSFUGASTENO-UHFFFAOYSA-N -1 0 322.792 3.586 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000107885040 527598220 /nfs/dbraw/zinc/59/82/20/527598220.db2.gz GDMILWTUGPFSDN-KRWDZBQOSA-N -1 0 322.364 3.504 20 0 DHADRM CCc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 ZINC000011639297 563649959 /nfs/dbraw/zinc/64/99/59/563649959.db2.gz YMEIPRBAABJNIM-UHFFFAOYSA-N -1 0 320.186 3.969 20 0 DHADRM O=C([O-])c1ccc(OCc2cnc(Cl)s2)c(Cl)c1 ZINC000833323812 602052450 /nfs/dbraw/zinc/05/24/50/602052450.db2.gz JOVLDNISVZNUTP-UHFFFAOYSA-N -1 0 304.154 3.727 20 0 DHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000819263946 596909659 /nfs/dbraw/zinc/90/96/59/596909659.db2.gz WMAHNPRLNYDDSS-NSHDSACASA-N -1 0 324.336 3.524 20 0 DHADRM C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)[O-] ZINC000739053874 597050866 /nfs/dbraw/zinc/05/08/66/597050866.db2.gz VBIJAITYLUGOLK-NSHDSACASA-N -1 0 310.378 3.862 20 0 DHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1SC ZINC000818561524 597137831 /nfs/dbraw/zinc/13/78/31/597137831.db2.gz MBULPJOOGANUJQ-UHFFFAOYSA-N -1 0 317.410 3.656 20 0 DHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737777570 597184640 /nfs/dbraw/zinc/18/46/40/597184640.db2.gz USYSSASGGFRXOP-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000388434315 597192179 /nfs/dbraw/zinc/19/21/79/597192179.db2.gz SVNYMSPWAZEYGQ-OAHLLOKOSA-N -1 0 304.390 3.500 20 0 DHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817871974 597263485 /nfs/dbraw/zinc/26/34/85/597263485.db2.gz ANXNMXVTXNBXCA-OAHLLOKOSA-N -1 0 318.417 3.746 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000322857380 597279278 /nfs/dbraw/zinc/27/92/78/597279278.db2.gz SXMVZKDDIMTVAQ-UHFFFAOYSA-N -1 0 311.381 3.864 20 0 DHADRM CN(CCC1CCCCC1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818469987 597325712 /nfs/dbraw/zinc/32/57/12/597325712.db2.gz XRZFEDMTKQBFLA-UHFFFAOYSA-N -1 0 318.417 3.748 20 0 DHADRM C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000386116326 597331642 /nfs/dbraw/zinc/33/16/42/597331642.db2.gz LHFBRWSRJLSSKT-LBPRGKRZSA-N -1 0 306.406 3.650 20 0 DHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000321790132 597334320 /nfs/dbraw/zinc/33/43/20/597334320.db2.gz RECJZCAGQQVHQY-AWEZNQCLSA-N -1 0 318.417 3.604 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000321074253 597336013 /nfs/dbraw/zinc/33/60/13/597336013.db2.gz GNIJGTWTCRALFI-MRXNPFEDSA-N -1 0 316.401 3.500 20 0 DHADRM Cc1cc(C)cc(-c2nnc(SCCCCC(=O)[O-])o2)c1 ZINC000738223810 597750215 /nfs/dbraw/zinc/75/02/15/597750215.db2.gz ZOPHNXYPJUGQRU-UHFFFAOYSA-N -1 0 306.387 3.700 20 0 DHADRM O=C([O-])C1CCC(Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000263445154 598110731 /nfs/dbraw/zinc/11/07/31/598110731.db2.gz XPVXPMCBMFDUII-UHFFFAOYSA-N -1 0 300.358 3.761 20 0 DHADRM O=C([O-])c1cccc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000263475491 598210802 /nfs/dbraw/zinc/21/08/02/598210802.db2.gz MNAYSWYYHONWRC-CQSZACIVSA-N -1 0 302.399 3.569 20 0 DHADRM O=C([O-])c1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(F)c1 ZINC000325002344 599704912 /nfs/dbraw/zinc/70/49/12/599704912.db2.gz ZMYAVDYLIZDVDS-UHFFFAOYSA-N -1 0 324.311 3.567 20 0 DHADRM C[C@H](NC(=O)c1ccccc1NC(=O)[O-])c1ccccc1Cl ZINC000736658107 599705243 /nfs/dbraw/zinc/70/52/43/599705243.db2.gz BGJDHHJBYFSOBB-JTQLQIEISA-N -1 0 318.760 3.921 20 0 DHADRM C[C@@H]1C[C@@H]1c1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)o1 ZINC000736764673 599706256 /nfs/dbraw/zinc/70/62/56/599706256.db2.gz VKWLMSHCPYKYND-SVRRBLITSA-N -1 0 312.778 3.823 20 0 DHADRM C[C@@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736568644 599710231 /nfs/dbraw/zinc/71/02/31/599710231.db2.gz HGCXNRMWHWQSGU-ZDUSSCGKSA-N -1 0 312.369 3.652 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)NCCC2CCCC2)ccc1F ZINC000740008509 599717392 /nfs/dbraw/zinc/71/73/92/599717392.db2.gz ONLZNBSWZPSCIM-UHFFFAOYSA-N -1 0 309.341 3.617 20 0 DHADRM CCCCCc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736991238 599724924 /nfs/dbraw/zinc/72/49/24/599724924.db2.gz GARADHLGGWDVST-UHFFFAOYSA-N -1 0 306.406 3.748 20 0 DHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000681678496 599744641 /nfs/dbraw/zinc/74/46/41/599744641.db2.gz AOZAXMARDSODDT-UHFFFAOYSA-N -1 0 318.398 3.601 20 0 DHADRM CN(CCCC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000737430743 599748632 /nfs/dbraw/zinc/74/86/32/599748632.db2.gz GZEHCRIHEWWQRK-UHFFFAOYSA-N -1 0 318.398 3.744 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736425718 599765308 /nfs/dbraw/zinc/76/53/08/599765308.db2.gz AKGAVSGCSVBADC-RYUDHWBXSA-N -1 0 309.431 3.781 20 0 DHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736425717 599765541 /nfs/dbraw/zinc/76/55/41/599765541.db2.gz AKGAVSGCSVBADC-NWDGAFQWSA-N -1 0 309.431 3.781 20 0 DHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236886548 599766753 /nfs/dbraw/zinc/76/67/53/599766753.db2.gz NBKOLDAVAZTTRU-ZDUSSCGKSA-N -1 0 317.410 3.588 20 0 DHADRM CC(C)Oc1cccc(COC(=O)c2ccccc2C(=O)[O-])c1 ZINC000736494935 599785514 /nfs/dbraw/zinc/78/55/14/599785514.db2.gz SDLUJIIDSWIQPR-UHFFFAOYSA-N -1 0 314.337 3.529 20 0 DHADRM CCc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737256326 599787031 /nfs/dbraw/zinc/78/70/31/599787031.db2.gz GRIDBSMKSRBIML-SUMWQHHRSA-N -1 0 312.365 3.722 20 0 DHADRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736685332 599799782 /nfs/dbraw/zinc/79/97/82/599799782.db2.gz BWDRPVQBPKVPIB-MRVPVSSYSA-N -1 0 320.172 3.645 20 0 DHADRM O=C([O-])c1ccc(/C=C/c2cccc(OC(F)(F)F)c2)nc1 ZINC000740122362 599794719 /nfs/dbraw/zinc/79/47/19/599794719.db2.gz AKHZMJYVJMJZMZ-GQCTYLIASA-N -1 0 309.243 3.849 20 0 DHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738261920 599797417 /nfs/dbraw/zinc/79/74/17/599797417.db2.gz BNXHYKQYRGYHEH-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM CC(C)Oc1cccc(OC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000736493865 599801959 /nfs/dbraw/zinc/80/19/59/599801959.db2.gz DEBZXTFQQBONHB-UHFFFAOYSA-N -1 0 315.325 3.783 20 0 DHADRM Cc1c2ccccc2oc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451818 599802275 /nfs/dbraw/zinc/80/22/75/599802275.db2.gz JGJTZBGWMOKFOC-UHFFFAOYSA-N -1 0 301.323 3.753 20 0 DHADRM Cc1ccc(OCCCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000387104436 599802695 /nfs/dbraw/zinc/80/26/95/599802695.db2.gz XVLGWBYSTYANOB-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738531719 599805276 /nfs/dbraw/zinc/80/52/76/599805276.db2.gz BVKJMHBNNNKJEW-INIZCTEOSA-N -1 0 324.380 3.811 20 0 DHADRM O=C([O-])c1ccc(OC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000739223121 599806714 /nfs/dbraw/zinc/80/67/14/599806714.db2.gz OVGHRVGTUSUOBV-HNNXBMFYSA-N -1 0 310.349 3.800 20 0 DHADRM CC(C)c1nc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cs1 ZINC000736522361 599807910 /nfs/dbraw/zinc/80/79/10/599807910.db2.gz FUJKQQXIFDRDHX-UHFFFAOYSA-N -1 0 324.789 3.870 20 0 DHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000739879029 599809885 /nfs/dbraw/zinc/80/98/85/599809885.db2.gz KLSKUYYUEGGASX-UHFFFAOYSA-N -1 0 305.280 3.504 20 0 DHADRM CCC(CC)CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736896138 599821249 /nfs/dbraw/zinc/82/12/49/599821249.db2.gz YGUCXNJAONMKFO-UHFFFAOYSA-N -1 0 324.446 3.562 20 0 DHADRM O=C([O-])c1ccccc1C(=O)OCc1cccc2ccccc21 ZINC000204831691 599828296 /nfs/dbraw/zinc/82/82/96/599828296.db2.gz MWDNVMFIDAZNRP-UHFFFAOYSA-N -1 0 306.317 3.895 20 0 DHADRM O=C([O-])/C(=C/c1cc(Br)ccc1F)c1ccncc1 ZINC000739489872 599831611 /nfs/dbraw/zinc/83/16/11/599831611.db2.gz KROGQQIETMHMAD-XYOKQWHBSA-N -1 0 322.133 3.608 20 0 DHADRM CC/C(=C\C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000736837741 599842325 /nfs/dbraw/zinc/84/23/25/599842325.db2.gz YECNWBJPSKEUEM-VAWYXSNFSA-N -1 0 313.328 3.956 20 0 DHADRM Cc1ccc2oc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2c1 ZINC000320356331 599843261 /nfs/dbraw/zinc/84/32/61/599843261.db2.gz GLZMEDSUCLBJNJ-UHFFFAOYSA-N -1 0 313.284 3.831 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000736958648 599845272 /nfs/dbraw/zinc/84/52/72/599845272.db2.gz HHZZPSNENDEPEJ-HBIYDYFMSA-N -1 0 321.442 3.787 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/Sc1ccccc1 ZINC000739215781 599845566 /nfs/dbraw/zinc/84/55/66/599845566.db2.gz LQGABWZZUXGOAU-MDZDMXLPSA-N -1 0 317.341 3.768 20 0 DHADRM O=C([O-])c1c(F)cccc1NC(=O)CCc1ccccc1Cl ZINC000314446335 599847330 /nfs/dbraw/zinc/84/73/30/599847330.db2.gz IWZKRKWJGIBPDU-UHFFFAOYSA-N -1 0 321.735 3.749 20 0 DHADRM Cc1ccc(OCc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC000738648734 599859026 /nfs/dbraw/zinc/85/90/26/599859026.db2.gz MGTTUZYFODDNRM-UHFFFAOYSA-N -1 0 315.350 3.989 20 0 DHADRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)c(F)c1 ZINC000736696246 599866461 /nfs/dbraw/zinc/86/64/61/599866461.db2.gz JPFNHQIWPRVMMW-SECBINFHSA-N -1 0 321.279 3.973 20 0 DHADRM O=C([O-])c1coc(COC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000739221531 599877871 /nfs/dbraw/zinc/87/78/71/599877871.db2.gz DQLYVTWWNCCJHF-ZDUSSCGKSA-N -1 0 314.337 3.531 20 0 DHADRM Cc1cc(NC(=S)Nc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738453322 599892210 /nfs/dbraw/zinc/89/22/10/599892210.db2.gz YILHRSZOUKFMFH-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736905429 599896855 /nfs/dbraw/zinc/89/68/55/599896855.db2.gz RGXGLBOFJIWGDL-CYBMUJFWSA-N -1 0 312.369 3.700 20 0 DHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738118580 599898310 /nfs/dbraw/zinc/89/83/10/599898310.db2.gz AHJMKXNZCNMMLA-SNVBAGLBSA-N -1 0 319.382 3.587 20 0 DHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736724730 599902135 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C[C@H](CCc1ccccc1F)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000827427328 600938785 /nfs/dbraw/zinc/93/87/85/600938785.db2.gz FSLCRGSIGXYKJO-GFCCVEGCSA-N -1 0 316.328 3.698 20 0 DHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C(/C)C(C)(C)C ZINC000831977924 600940279 /nfs/dbraw/zinc/94/02/79/600940279.db2.gz VTIIKWZWSGDGSO-IOIMVZBSSA-N -1 0 318.369 3.691 20 0 DHADRM C[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000826072586 600943389 /nfs/dbraw/zinc/94/33/89/600943389.db2.gz XTHYKRSFBFWRGO-NEPJUHHUSA-N -1 0 316.328 3.932 20 0 DHADRM CCSc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000830169039 600952957 /nfs/dbraw/zinc/95/29/57/600952957.db2.gz MKRRAUMVPNKQCK-NEPJUHHUSA-N -1 0 307.415 3.628 20 0 DHADRM O=C([O-])C[C@@H]1CN(CCCOc2ccccc2)c2ccccc21 ZINC000390915146 600960102 /nfs/dbraw/zinc/96/01/02/600960102.db2.gz CSTZBCHZLCLFTM-OAHLLOKOSA-N -1 0 311.381 3.534 20 0 DHADRM O=C([O-])C[C@H]1CN(Cc2cccc3cccnc32)c2ccccc21 ZINC000325198927 600960184 /nfs/dbraw/zinc/96/01/84/600960184.db2.gz 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CSCc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000315651447 601061875 /nfs/dbraw/zinc/06/18/75/601061875.db2.gz BILBLQJEFXTYRX-UHFFFAOYSA-N -1 0 315.394 3.809 20 0 DHADRM Cc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC000237453874 601063744 /nfs/dbraw/zinc/06/37/44/601063744.db2.gz PHDAZJVIICOTPQ-NSHDSACASA-N -1 0 301.317 3.575 20 0 DHADRM Cc1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000237490347 601065497 /nfs/dbraw/zinc/06/54/97/601065497.db2.gz LANQVFKEFNQKRO-LLVKDONJSA-N -1 0 301.317 3.575 20 0 DHADRM CC/C(=C/C(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000828548452 601068614 /nfs/dbraw/zinc/06/86/14/601068614.db2.gz ALHQGVFSGGOUIQ-QXPKXGMISA-N -1 0 321.804 3.503 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCC(C2CC2)C2CC2)c1 ZINC000317062256 601069787 /nfs/dbraw/zinc/06/97/87/601069787.db2.gz XLFRTWBLKYMOEI-UHFFFAOYSA-N -1 0 322.792 3.596 20 0 DHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000388109839 601092941 /nfs/dbraw/zinc/09/29/41/601092941.db2.gz 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ZINC000315956845 601125600 /nfs/dbraw/zinc/12/56/00/601125600.db2.gz CIUXTJAEYDHRIV-CHWSQXEVSA-N -1 0 303.402 3.814 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)N(C2CC2)C2CCCC2)c1 ZINC000833290359 601129957 /nfs/dbraw/zinc/12/99/57/601129957.db2.gz ZUUXHGYIBBRELL-UHFFFAOYSA-N -1 0 303.362 3.715 20 0 DHADRM Cc1c(NC(=O)c2cnc3ccccc3c2C)cccc1C(=O)[O-] ZINC000761520885 601134980 /nfs/dbraw/zinc/13/49/80/601134980.db2.gz CALBMNMDUCOHMW-UHFFFAOYSA-N -1 0 320.348 3.802 20 0 DHADRM Cc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1C(=O)[O-] ZINC000320639140 601136551 /nfs/dbraw/zinc/13/65/51/601136551.db2.gz GUOPEHMQLBCKKN-UHFFFAOYSA-N -1 0 316.401 3.881 20 0 DHADRM Cc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000832944787 601137041 /nfs/dbraw/zinc/13/70/41/601137041.db2.gz LCVQUVNZOHWZAZ-YVMONPNESA-N -1 0 310.353 3.528 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000383624263 601137646 /nfs/dbraw/zinc/13/76/46/601137646.db2.gz IMPHCRRRLPZDNV-CYBMUJFWSA-N -1 0 312.369 3.918 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000826070779 601141990 /nfs/dbraw/zinc/14/19/90/601141990.db2.gz FCDWALLVQWKYCJ-SECBINFHSA-N -1 0 324.785 3.738 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000111470484 601145197 /nfs/dbraw/zinc/14/51/97/601145197.db2.gz DWRFPOMQNIEXSL-RKDXNWHRSA-N -1 0 316.184 3.823 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2cccc(Cl)c2Cl)C1 ZINC000833187366 601145660 /nfs/dbraw/zinc/14/56/60/601145660.db2.gz PLYFHBAIXFFOPV-BDAKNGLRSA-N -1 0 317.168 3.790 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2ccc(Cl)cc2Cl)C1 ZINC000833188250 601145744 /nfs/dbraw/zinc/14/57/44/601145744.db2.gz WFNOBHYNLKBLST-IUCAKERBSA-N -1 0 317.168 3.790 20 0 DHADRM Cc1nc(-c2ccccc2)oc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000832992435 601145835 /nfs/dbraw/zinc/14/58/35/601145835.db2.gz JQWQIQJFMKHARM-UHFFFAOYSA-N -1 0 323.304 3.567 20 0 DHADRM CCSc1ccccc1OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830174401 601157691 /nfs/dbraw/zinc/15/76/91/601157691.db2.gz JKFHLYMCCAGTLJ-RYUDHWBXSA-N -1 0 308.399 3.595 20 0 DHADRM C/C(=C\CN1CCCC[C@H]1c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000825742045 601161404 /nfs/dbraw/zinc/16/14/04/601161404.db2.gz VJSLYUYOJSUZCI-RPHSKFLZSA-N -1 0 322.474 3.999 20 0 DHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000828516591 601174092 /nfs/dbraw/zinc/17/40/92/601174092.db2.gz NYXNESHCCJWJLZ-LLVKDONJSA-N -1 0 313.378 3.526 20 0 DHADRM C/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000828535214 601175044 /nfs/dbraw/zinc/17/50/44/601175044.db2.gz YRWNYJCQTPJFMO-CGAJTASUSA-N -1 0 303.141 3.629 20 0 DHADRM O=C([O-])c1cc(F)ccc1CN1CC[C@H]1c1cccc(F)c1 ZINC000833299071 601183442 /nfs/dbraw/zinc/18/34/42/601183442.db2.gz LHWIGQAHLZNTCQ-INIZCTEOSA-N -1 0 303.308 3.610 20 0 DHADRM O=C([O-])[C@H](c1ccccc1F)N1CC[C@H]1c1cccc(F)c1 ZINC000833171541 601183535 /nfs/dbraw/zinc/18/35/35/601183535.db2.gz CAVZLZAUFJAGFO-HOTGVXAUSA-N -1 0 303.308 3.538 20 0 DHADRM C[C@@H](Oc1ccc(C(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000827884528 601185275 /nfs/dbraw/zinc/18/52/75/601185275.db2.gz QNSODJOEKXTYHU-LLVKDONJSA-N -1 0 310.309 3.575 20 0 DHADRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832930344 601190137 /nfs/dbraw/zinc/19/01/37/601190137.db2.gz IVSSJVFWLZHVLX-HNNXBMFYSA-N -1 0 322.744 3.543 20 0 DHADRM Cc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000832930071 601195079 /nfs/dbraw/zinc/19/50/79/601195079.db2.gz JXVISRCTZODKIV-MRXNPFEDSA-N -1 0 318.394 3.748 20 0 DHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H](C)CC3(C)C)c12 ZINC000833001853 601202122 /nfs/dbraw/zinc/20/21/22/601202122.db2.gz ZVYSGGDKTLJHQZ-QMMMGPOBSA-N -1 0 319.430 3.631 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000826055131 601203988 /nfs/dbraw/zinc/20/39/88/601203988.db2.gz WDKOJCMPWJJMGZ-BLLLJJGKSA-N -1 0 316.401 3.524 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000320771631 601207086 /nfs/dbraw/zinc/20/70/86/601207086.db2.gz YNFFSJYOXKYFSH-VXGBXAGGSA-N -1 0 320.776 3.672 20 0 DHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000320724329 601207161 /nfs/dbraw/zinc/20/71/61/601207161.db2.gz RVIQEMNRJAMWLX-NWDGAFQWSA-N -1 0 320.776 3.672 20 0 DHADRM C[C@@H](CSCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC000086694465 601207988 /nfs/dbraw/zinc/20/79/88/601207988.db2.gz UIFXBVAVYSMLDX-ZETCQYMHSA-N -1 0 307.184 3.542 20 0 DHADRM CC[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000829004383 601238333 /nfs/dbraw/zinc/23/83/33/601238333.db2.gz HDMDWERDOKPNOA-GUTXKFCHSA-N -1 0 308.349 3.711 20 0 DHADRM CC[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829004440 601239219 /nfs/dbraw/zinc/23/92/19/601239219.db2.gz IQTOABPXBSGINP-YCPHGPKFSA-N -1 0 320.385 3.581 20 0 DHADRM CC(C)CCC[C@@H](C)NC(=O)CNc1cccc(NC(=O)[O-])c1 ZINC000826849062 601247204 /nfs/dbraw/zinc/24/72/04/601247204.db2.gz QWAVDTQAIJJGDI-CYBMUJFWSA-N -1 0 321.421 3.519 20 0 DHADRM O=C([O-])c1cc(NCCOc2ccccc2Cl)ccc1F ZINC000833299970 601247363 /nfs/dbraw/zinc/24/73/63/601247363.db2.gz HLWXUYIAHIPQLZ-UHFFFAOYSA-N -1 0 309.724 3.668 20 0 DHADRM C[C@H]1[C@H](c2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828149119 601255376 /nfs/dbraw/zinc/25/53/76/601255376.db2.gz GXOZNZFZAKSYBX-GXSJLCMTSA-N -1 0 322.817 3.877 20 0 DHADRM Cc1c(NC(=O)C/C=C/c2cccc(F)c2)cccc1C(=O)[O-] ZINC000675966905 601278998 /nfs/dbraw/zinc/27/89/98/601278998.db2.gz VZMQAXNNPRHXRM-ZZXKWVIFSA-N -1 0 313.328 3.874 20 0 DHADRM O=C([O-])Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000013421601 601279176 /nfs/dbraw/zinc/27/91/76/601279176.db2.gz WIOIXTLHYCHGPF-UHFFFAOYSA-N -1 0 310.271 3.912 20 0 DHADRM O=C([O-])Nc1cccc(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000833288132 601280215 /nfs/dbraw/zinc/28/02/15/601280215.db2.gz JBNPSYGZEWMUQS-GORDUTHDSA-N -1 0 314.316 3.958 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000826861122 601281088 /nfs/dbraw/zinc/28/10/88/601281088.db2.gz OSLWHHVVSDFLKZ-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000321382620 601286785 /nfs/dbraw/zinc/28/67/85/601286785.db2.gz FBOCQYSIHNAMMC-UHFFFAOYSA-N -1 0 315.344 3.749 20 0 DHADRM Cc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1C(=O)[O-] ZINC000832952122 601302620 /nfs/dbraw/zinc/30/26/20/601302620.db2.gz RSXFHAHEERUNAO-UHFFFAOYSA-N -1 0 315.760 3.606 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000262069551 601305834 /nfs/dbraw/zinc/30/58/34/601305834.db2.gz INZFKLCOMUMJEK-LLVKDONJSA-N -1 0 311.809 3.593 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828200953 601333665 /nfs/dbraw/zinc/33/36/65/601333665.db2.gz MIIOILQCLGEBTF-KYOSRNDESA-N -1 0 302.374 3.570 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828202008 601336598 /nfs/dbraw/zinc/33/65/98/601336598.db2.gz ZSKHZARYRZECBR-ZETOZRRWSA-N -1 0 320.364 3.709 20 0 DHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000827861372 601339611 /nfs/dbraw/zinc/33/96/11/601339611.db2.gz KXNSQUWYXWMUDF-JTQLQIEISA-N -1 0 317.341 3.588 20 0 DHADRM C[C@@H](SCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000827908519 601344641 /nfs/dbraw/zinc/34/46/41/601344641.db2.gz JZOSDILIJAQRRB-ZCFIWIBFSA-N -1 0 309.612 3.809 20 0 DHADRM CCN(C)c1ccc(CSc2ncccc2C(=O)[O-])cc1 ZINC000829618874 601344654 /nfs/dbraw/zinc/34/46/54/601344654.db2.gz LZFYYGMACDFIIG-UHFFFAOYSA-N -1 0 302.399 3.528 20 0 DHADRM CC(C)c1cnc(S[C@H](C(=O)[O-])c2ccccc2F)n1C ZINC000827140044 601348269 /nfs/dbraw/zinc/34/82/69/601348269.db2.gz XFWNSICBXJEVNZ-ZDUSSCGKSA-N -1 0 308.378 3.601 20 0 DHADRM C/C(=C\c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)(C)C ZINC000825798363 601363092 /nfs/dbraw/zinc/36/30/92/601363092.db2.gz ICAKGHRUBVYVKY-DHZHZOJOSA-N -1 0 316.357 3.796 20 0 DHADRM CC(C)CCCCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000826848803 601371228 /nfs/dbraw/zinc/37/12/28/601371228.db2.gz DQXBTYZMVLXPBF-UHFFFAOYSA-N -1 0 303.402 3.834 20 0 DHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828233681 601381092 /nfs/dbraw/zinc/38/10/92/601381092.db2.gz QTGRXYOHNBOPSI-JYAVWHMHSA-N -1 0 319.405 3.747 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(Cl)c1OC ZINC000830379415 601391341 /nfs/dbraw/zinc/39/13/41/601391341.db2.gz VIWCJDXSADIEOG-UHFFFAOYSA-N -1 0 309.749 3.814 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000237531034 601393484 /nfs/dbraw/zinc/39/34/84/601393484.db2.gz RVMRXCQNWIKLTO-YVEFUNNKSA-N -1 0 323.348 3.625 20 0 DHADRM O=C([O-])c1ccc(-c2noc(C3(c4ccccc4F)CC3)n2)cc1 ZINC000833308782 601402964 /nfs/dbraw/zinc/40/29/64/601402964.db2.gz SUHICHQROQDXLM-UHFFFAOYSA-N -1 0 324.311 3.654 20 0 DHADRM C/C(=C\C(=O)NC(C)(C)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000769515230 601404242 /nfs/dbraw/zinc/40/42/42/601404242.db2.gz BYBPAZYKHDODBK-PKNBQFBNSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1cc(CSc2nc3cc(F)c(F)cc3[nH]2)oc1C(=O)[O-] ZINC000832885221 601406170 /nfs/dbraw/zinc/40/61/70/601406170.db2.gz MBJZBLJLDVUQOY-UHFFFAOYSA-N -1 0 324.308 3.733 20 0 DHADRM CCCCc1nc(COc2ccc(C(=O)[O-])cc2C=O)cs1 ZINC000829441262 601407452 /nfs/dbraw/zinc/40/74/52/601407452.db2.gz RXCNUHNAMRPGTF-UHFFFAOYSA-N -1 0 319.382 3.575 20 0 DHADRM C/C(=C\COC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC000825770469 601411835 /nfs/dbraw/zinc/41/18/35/601411835.db2.gz YIGLMRVMHKCHDP-XYOKQWHBSA-N -1 0 313.353 3.546 20 0 DHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000833291997 601429669 /nfs/dbraw/zinc/42/96/69/601429669.db2.gz YDSCEFKZEZJUGJ-UHFFFAOYSA-N -1 0 324.336 3.548 20 0 DHADRM CCc1nc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000567250156 601431718 /nfs/dbraw/zinc/43/17/18/601431718.db2.gz CBUYYWHPTLQWHX-HIFRSBDPSA-N -1 0 322.474 3.561 20 0 DHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000832221101 601441006 /nfs/dbraw/zinc/44/10/06/601441006.db2.gz UHSMDJCFIGQEJE-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832220882 601442211 /nfs/dbraw/zinc/44/22/11/601442211.db2.gz KDJWBXQDQAPCQZ-JTQLQIEISA-N -1 0 319.382 3.587 20 0 DHADRM O=C([O-])c1ccsc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000833095836 601447290 /nfs/dbraw/zinc/44/72/90/601447290.db2.gz APVDARKIGZBTIV-RQOWECAXSA-N -1 0 305.330 3.627 20 0 DHADRM O=C([O-])c1cnc(N(C(=O)CC2CCCCCC2)C2CC2)s1 ZINC000833338647 601449392 /nfs/dbraw/zinc/44/93/92/601449392.db2.gz UNXKGJOGRCCDNW-UHFFFAOYSA-N -1 0 322.430 3.697 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(C(F)F)c1 ZINC000830390643 601465441 /nfs/dbraw/zinc/46/54/41/601465441.db2.gz MBHFAAGHWCZUMD-UHFFFAOYSA-N -1 0 324.279 3.835 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000237110478 601465716 /nfs/dbraw/zinc/46/57/16/601465716.db2.gz FHMFVAKATWQURB-GPMSIDNRSA-N -1 0 317.429 3.673 20 0 DHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)c1cccc(F)c1 ZINC000830379051 601466562 /nfs/dbraw/zinc/46/65/62/601466562.db2.gz HRQQSYOISZGSQO-SNVBAGLBSA-N -1 0 320.316 3.526 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccccc1Cl ZINC000767050433 601468731 /nfs/dbraw/zinc/46/87/31/601468731.db2.gz DUWSVCXTWCQFEQ-SOGBHIHOSA-N -1 0 309.793 3.503 20 0 DHADRM O=C([O-])c1cccc(COC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000833096427 601470908 /nfs/dbraw/zinc/47/09/08/601470908.db2.gz PDSMEIOHKPTSNM-IHWYPQMZSA-N -1 0 314.312 3.671 20 0 DHADRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000825798705 601471657 /nfs/dbraw/zinc/47/16/57/601471657.db2.gz SZICMQXOCHXKKH-PCUGXKRQSA-N -1 0 314.312 3.598 20 0 DHADRM C[C@@H](OC(=O)C/C=C/c1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827833100 601472004 /nfs/dbraw/zinc/47/20/04/601472004.db2.gz FBFDVJPWBTZTPB-JOAKQRRISA-N -1 0 318.300 3.825 20 0 DHADRM O=C([O-])CC1(NC(=O)Nc2cccc(Cl)c2Cl)CCC1 ZINC000094292251 601476488 /nfs/dbraw/zinc/47/64/88/601476488.db2.gz DBQKUPRUTBTFKJ-UHFFFAOYSA-N -1 0 317.172 3.512 20 0 DHADRM O=C([O-])c1occc1COC(=O)c1cc2cccc(Cl)c2o1 ZINC000833352997 601484409 /nfs/dbraw/zinc/48/44/09/601484409.db2.gz LEPSCCZECFTQID-UHFFFAOYSA-N -1 0 320.684 3.734 20 0 DHADRM CCCCCC(C)(C)CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000316639264 601498503 /nfs/dbraw/zinc/49/85/03/601498503.db2.gz 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601582546 /nfs/dbraw/zinc/58/25/46/601582546.db2.gz PZTLKTDVKALCTQ-WVQRXBFSSA-N -1 0 321.804 3.718 20 0 DHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)s1 ZINC000678984203 601585780 /nfs/dbraw/zinc/58/57/80/601585780.db2.gz TXIPDTZAOJMNIH-CYBMUJFWSA-N -1 0 323.801 3.574 20 0 DHADRM Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832970941 601603961 /nfs/dbraw/zinc/60/39/61/601603961.db2.gz MXKOTOQMUZTCOF-CJNGLKHVSA-N -1 0 312.369 3.579 20 0 DHADRM Cc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832970944 601604131 /nfs/dbraw/zinc/60/41/31/601604131.db2.gz MXKOTOQMUZTCOF-CZUORRHYSA-N -1 0 312.369 3.579 20 0 DHADRM C[C@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1 ZINC000827956715 601604415 /nfs/dbraw/zinc/60/44/15/601604415.db2.gz JIRWHRCZPYUVPJ-LLVKDONJSA-N -1 0 314.341 3.735 20 0 DHADRM CCCc1nc(CNc2cc(C(=O)[O-])c(F)cc2F)cs1 ZINC000829570942 601606168 /nfs/dbraw/zinc/60/61/68/601606168.db2.gz LQOJRXJWZYDJSS-UHFFFAOYSA-N -1 0 312.341 3.684 20 0 DHADRM CCCc1nc(CNc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000829571839 601607237 /nfs/dbraw/zinc/60/72/37/601607237.db2.gz XMPHZSSDSWGPCE-UHFFFAOYSA-N -1 0 319.430 3.818 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000321263247 601614555 /nfs/dbraw/zinc/61/45/55/601614555.db2.gz UIZLQPHHLYPEGG-UHFFFAOYSA-N -1 0 323.270 3.585 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000829209688 601619162 /nfs/dbraw/zinc/61/91/62/601619162.db2.gz VYXGMIANFLXAIV-MARXPDLDSA-N -1 0 309.793 3.718 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000316895715 601625419 /nfs/dbraw/zinc/62/54/19/601625419.db2.gz YUNHYAOJCOXIOC-IINYFYTJSA-N -1 0 322.792 3.835 20 0 DHADRM Cc1csc([C@@H]2CCCN2Cc2cc(C(=O)[O-])sc2C)n1 ZINC000832990022 601625458 /nfs/dbraw/zinc/62/54/58/601625458.db2.gz ZZKSNBFJCKRTAG-LBPRGKRZSA-N -1 0 322.455 3.857 20 0 DHADRM CC(=O)c1ccc(OCc2cc(C(=O)[O-])sc2C)cc1F ZINC000232462998 601634788 /nfs/dbraw/zinc/63/47/88/601634788.db2.gz BSBLOOJWIHSJJQ-UHFFFAOYSA-N 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Cc1sc(C(=O)[O-])cc1COC(=O)/C=C\c1ccccc1 ZINC000833031022 601704136 /nfs/dbraw/zinc/70/41/36/601704136.db2.gz FQNQHBLIEFYGAN-FPLPWBNLSA-N -1 0 302.351 3.511 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1ccccc1F ZINC000833032098 601708702 /nfs/dbraw/zinc/70/87/02/601708702.db2.gz UNBYCSAYMXTMMN-UHFFFAOYSA-N -1 0 322.357 3.570 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc2[nH]ccc21 ZINC000833033663 601722956 /nfs/dbraw/zinc/72/29/56/601722956.db2.gz YXNCFXKIOLIPJN-UHFFFAOYSA-N -1 0 315.350 3.593 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1CCc2ccccc21 ZINC000833030981 601727952 /nfs/dbraw/zinc/72/79/52/601727952.db2.gz DNKYJIVUSAFEGT-AWEZNQCLSA-N -1 0 316.378 3.528 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)c1ccccc1F ZINC000833031103 601729113 /nfs/dbraw/zinc/72/91/13/601729113.db2.gz GMWPLUSUARPUOK-SECBINFHSA-N -1 0 322.357 3.741 20 0 DHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1cccs1 ZINC000833031619 601729737 /nfs/dbraw/zinc/72/97/37/601729737.db2.gz LDIBUBHZNVCFEK-QMMMGPOBSA-N -1 0 310.396 3.663 20 0 DHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)CC(C)(C)C ZINC000827227423 601744000 /nfs/dbraw/zinc/74/40/00/601744000.db2.gz ZGQUTTKYAHMREU-NHYWBVRUSA-N -1 0 309.381 3.530 20 0 DHADRM CC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC000236881078 601754908 /nfs/dbraw/zinc/75/49/08/601754908.db2.gz TXYSUVNWAFBUAH-CQSZACIVSA-N -1 0 323.820 3.521 20 0 DHADRM CC(C)CC1(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000392167524 601755353 /nfs/dbraw/zinc/75/53/53/601755353.db2.gz XHWQYZXJQTURNT-UHFFFAOYSA-N -1 0 318.417 3.652 20 0 DHADRM C[C@H](CC(=O)[O-])SCc1ccc(SC(=O)N(C)C)cc1 ZINC000827386472 601782562 /nfs/dbraw/zinc/78/25/62/601782562.db2.gz UAKVPPRBHLSKOH-SNVBAGLBSA-N -1 0 313.444 3.557 20 0 DHADRM CC(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000161064786 601794623 /nfs/dbraw/zinc/79/46/23/601794623.db2.gz CNLSIJXOISZSAS-SNVBAGLBSA-N -1 0 310.781 3.548 20 0 DHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000832528966 601800182 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Cc1cc(-c2ccccc2)ccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000829888989 603312486 /nfs/dbraw/zinc/31/24/86/603312486.db2.gz LVRQULFCRLTNGR-ZDUSSCGKSA-N -1 0 312.369 3.647 20 0 DHADRM COc1ccc(NC(=O)/C=C(\C)C(C)(C)C)cc1NC(=O)[O-] ZINC000829448446 603321179 /nfs/dbraw/zinc/32/11/79/603321179.db2.gz RALUVKQBQNEVMX-CSKARUKUSA-N -1 0 306.362 3.716 20 0 DHADRM CN(Cc1cccc(NC(=O)c2cccc3cc[nH]c32)c1)C(=O)[O-] ZINC000828375771 603323212 /nfs/dbraw/zinc/32/32/12/603323212.db2.gz SNCZRUFCWAAASK-UHFFFAOYSA-N -1 0 323.352 3.530 20 0 DHADRM CN(C(=O)Nc1cccc(CNC(=O)[O-])c1)C1CCCCCC1 ZINC000739574894 603323808 /nfs/dbraw/zinc/32/38/08/603323808.db2.gz HVTWOALJSNDPNG-UHFFFAOYSA-N -1 0 319.405 3.641 20 0 DHADRM O=C([O-])NCc1cccc(NC(=O)NCCCC2CCCC2)c1 ZINC000740676333 603324607 /nfs/dbraw/zinc/32/46/07/603324607.db2.gz GJYVPRDQYJDXLG-UHFFFAOYSA-N -1 0 319.405 3.546 20 0 DHADRM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1C ZINC000740173178 603325632 /nfs/dbraw/zinc/32/56/32/603325632.db2.gz TUQSTHCALMGTHK-UHFFFAOYSA-N -1 0 313.357 3.715 20 0 DHADRM Cc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1NC(=O)[O-] ZINC000830188251 603332597 /nfs/dbraw/zinc/33/25/97/603332597.db2.gz WOILVLIYDATLOX-MRXNPFEDSA-N -1 0 310.353 3.672 20 0 DHADRM CCN(Cc1ccccc1NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000739445997 603353142 /nfs/dbraw/zinc/35/31/42/603353142.db2.gz HINJUEBZHXFZRH-UHFFFAOYSA-N -1 0 319.405 3.594 20 0 DHADRM C[C@@H](CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)(C)C ZINC000825434773 603366871 /nfs/dbraw/zinc/36/68/71/603366871.db2.gz YCFIBIBOLADYMJ-RYUDHWBXSA-N -1 0 321.421 3.819 20 0 DHADRM CC[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)C(C)C ZINC000826614099 603377101 /nfs/dbraw/zinc/37/71/01/603377101.db2.gz ZIODLJFXXNFJOW-BXUZGUMPSA-N -1 0 307.394 3.571 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000825886611 603377488 /nfs/dbraw/zinc/37/74/88/603377488.db2.gz IOPSOLLVPPSBED-XUJVJEKNSA-N -1 0 319.405 3.715 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CC(C)(C)C)cc1 ZINC000825422511 603381769 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Cc1cccc(C(C)C)c1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830474025 603455298 /nfs/dbraw/zinc/45/52/98/603455298.db2.gz ZMXQBIGJZCOAGX-UHFFFAOYSA-N -1 0 304.390 3.637 20 0 DHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000824231228 603593852 /nfs/dbraw/zinc/59/38/52/603593852.db2.gz FISVTZWISMQVPS-GFCCVEGCSA-N -1 0 305.378 3.676 20 0 DHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000824233214 603597881 /nfs/dbraw/zinc/59/78/81/603597881.db2.gz XHKSIHHULDCYDW-LLVKDONJSA-N -1 0 323.368 3.816 20 0 DHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826659569 603598629 /nfs/dbraw/zinc/59/86/29/603598629.db2.gz GQEUFFBDMUQLRW-GXSJLCMTSA-N -1 0 309.341 3.568 20 0 DHADRM O=C([O-])N1CCc2cccc(CNCc3ccccc3Cl)c21 ZINC000832086941 603847755 /nfs/dbraw/zinc/84/77/55/603847755.db2.gz KUXVQTPUERKTMM-UHFFFAOYSA-N -1 0 316.788 3.670 20 0 DHADRM CC(C)C1(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000824151135 603885712 /nfs/dbraw/zinc/88/57/12/603885712.db2.gz WALOJZXFFQDIJJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/27/01/64/604270164.db2.gz HIOCAJBDUCHGMU-UHFFFAOYSA-N -1 0 316.376 3.764 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000829602236 604278878 /nfs/dbraw/zinc/27/88/78/604278878.db2.gz IPTFZIYCGTWXNP-UHFFFAOYSA-N -1 0 321.735 3.844 20 0 DHADRM C[C@@H](CC(=O)Nc1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824703703 604283214 /nfs/dbraw/zinc/28/32/14/604283214.db2.gz PTTDIMVMNULAKK-RYUDHWBXSA-N -1 0 324.808 3.695 20 0 DHADRM Cc1cc(C)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832874524 604288350 /nfs/dbraw/zinc/28/83/50/604288350.db2.gz LUPHZZPVVJBIGM-UHFFFAOYSA-N -1 0 301.317 3.701 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832886697 604302436 /nfs/dbraw/zinc/30/24/36/604302436.db2.gz RXDCADARQZKNME-UHFFFAOYSA-N -1 0 321.735 3.519 20 0 DHADRM Cc1nc(NCc2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C ZINC000830776013 604346810 /nfs/dbraw/zinc/34/68/10/604346810.db2.gz XOAIEWVMLZIPIP-SNVBAGLBSA-N -1 0 305.403 3.701 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829210074 604381917 /nfs/dbraw/zinc/38/19/17/604381917.db2.gz YSTBUYJZMLANOC-CJTWTEFWSA-N -1 0 303.402 3.701 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC000826080617 604384937 /nfs/dbraw/zinc/38/49/37/604384937.db2.gz BIKNUHGVZMJWPG-GJZGRUSLSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC000826080618 604384960 /nfs/dbraw/zinc/38/49/60/604384960.db2.gz BIKNUHGVZMJWPG-HUUCEWRRSA-N -1 0 315.413 3.535 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000826103311 604385648 /nfs/dbraw/zinc/38/56/48/604385648.db2.gz PCKGROMXUDTMKZ-ZDUSSCGKSA-N -1 0 321.760 3.515 20 0 DHADRM COc1cccc(C(=O)[O-])c1OC(=O)C1CCC(C)(C)CC1 ZINC000832524525 604389206 /nfs/dbraw/zinc/38/92/06/604389206.db2.gz ZRMGEWKRHAAAGO-UHFFFAOYSA-N -1 0 306.358 3.515 20 0 DHADRM Cc1ccccc1N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000832978939 604390264 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ZINC000826951262 604484918 /nfs/dbraw/zinc/48/49/18/604484918.db2.gz CANXOIBAWFLPPO-UHFFFAOYSA-N -1 0 318.398 3.889 20 0 DHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826845574 604487278 /nfs/dbraw/zinc/48/72/78/604487278.db2.gz XHKRYPVYOXMTOD-LBPRGKRZSA-N -1 0 310.419 3.879 20 0 DHADRM CC(C)(C)SCCCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833446986 604495143 /nfs/dbraw/zinc/49/51/43/604495143.db2.gz KZESLLUFEDANFK-UHFFFAOYSA-N -1 0 316.463 3.875 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000833342298 604496269 /nfs/dbraw/zinc/49/62/69/604496269.db2.gz JERKRLTWFICXEE-CYBMUJFWSA-N -1 0 316.382 3.815 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829208071 604511764 /nfs/dbraw/zinc/51/17/64/604511764.db2.gz IBZMXGQUSWNEKJ-ZYHUDNBSSA-N -1 0 310.419 3.879 20 0 DHADRM O=C([O-])c1csc(NC(=O)NCCCCc2ccccc2)c1 ZINC000833138473 604516496 /nfs/dbraw/zinc/51/64/96/604516496.db2.gz VPZVEBBLMOCMTG-UHFFFAOYSA-N -1 0 318.398 3.591 20 0 DHADRM Cc1cc([C@H](C)OC(=O)c2cc3ccccc3o2)oc1C(=O)[O-] ZINC000832874765 604542974 /nfs/dbraw/zinc/54/29/74/604542974.db2.gz LGLJHUPMTKZMDL-JTQLQIEISA-N -1 0 314.293 3.950 20 0 DHADRM CC(C)c1ccc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000827117587 604543289 /nfs/dbraw/zinc/54/32/89/604543289.db2.gz DNHNLPKNKCAWIS-UHFFFAOYSA-N -1 0 313.357 3.572 20 0 DHADRM Cc1cc([C@H](C)OC(=O)C2(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832873171 604545200 /nfs/dbraw/zinc/54/52/00/604545200.db2.gz DYNOBKJRDBJRQK-LBPRGKRZSA-N -1 0 314.337 3.622 20 0 DHADRM CC1(C)CCC[C@H](CC(=O)N[C@H](C(=O)[O-])c2cccs2)C1 ZINC000833560413 604546644 /nfs/dbraw/zinc/54/66/44/604546644.db2.gz DTNBABUYQNOHNX-RISCZKNCSA-N -1 0 309.431 3.597 20 0 DHADRM CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824434576 604564136 /nfs/dbraw/zinc/56/41/36/604564136.db2.gz KXPJQNVBHFXKSZ-RYUDHWBXSA-N -1 0 322.430 3.562 20 0 DHADRM Cc1cc([C@@H](C)OC(=O)C(F)(F)c2ccccc2)oc1C(=O)[O-] ZINC000832876103 604567363 /nfs/dbraw/zinc/56/73/63/604567363.db2.gz 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3.648 20 0 DHADRM CC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC001589563849 948834672 /nfs/dbraw/zinc/83/46/72/948834672.db2.gz CSVSUWJTBOXARI-GDXASINISA-N -1 0 313.353 3.567 20 0 DHADRM CCCC[C@@H](NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC000347266127 971522953 /nfs/dbraw/zinc/52/29/53/971522953.db2.gz UJUZKGZUSYWVAK-CQSZACIVSA-N -1 0 309.431 3.560 20 0 DHADRM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000358607333 971531017 /nfs/dbraw/zinc/53/10/17/971531017.db2.gz KDIJXLVADIQWNY-MRXNPFEDSA-N -1 0 315.344 3.795 20 0 DHADRM CCC[C@@]1(C)CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000358589891 971531377 /nfs/dbraw/zinc/53/13/77/971531377.db2.gz KNSNJMBCPPUKHQ-KRWDZBQOSA-N -1 0 307.365 3.566 20 0 DHADRM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C)cc1C ZINC000359078220 971532496 /nfs/dbraw/zinc/53/24/96/971532496.db2.gz IXYMEJLTZXZBNL-UHFFFAOYSA-N -1 0 319.401 3.676 20 0 DHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)cc1 ZINC001595220651 949237470 /nfs/dbraw/zinc/23/74/70/949237470.db2.gz ZVOZRWFVUBKTMC-UHFFFAOYSA-N -1 0 321.332 3.575 20 0 DHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001595220661 949237776 /nfs/dbraw/zinc/23/77/76/949237776.db2.gz AMXYOSBPKJMUFR-ZWKOTPCHSA-N -1 0 323.392 3.699 20 0 DHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001589620696 949406230 /nfs/dbraw/zinc/40/62/30/949406230.db2.gz AVSUHDHDXMEFGG-OLZOCXBDSA-N -1 0 304.390 3.723 20 0 DHADRM CCC(CC)(CNC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000164986894 949418430 /nfs/dbraw/zinc/41/84/30/949418430.db2.gz XFGURXBUKWGMKL-UHFFFAOYSA-N -1 0 318.200 3.614 20 0 DHADRM CC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589622247 949429799 /nfs/dbraw/zinc/42/97/99/949429799.db2.gz YKBDHQBMLQDURA-GJZGRUSLSA-N -1 0 318.417 3.652 20 0 DHADRM O=C([O-])c1cccc(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001595243043 949486258 /nfs/dbraw/zinc/48/62/58/949486258.db2.gz KLYWARCQDIYPCJ-UHFFFAOYSA-N -1 0 301.773 3.597 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001589627192 949504512 /nfs/dbraw/zinc/50/45/12/949504512.db2.gz IOJIGXLUXOOCQK-OAHLLOKOSA-N -1 0 318.417 3.554 20 0 DHADRM CCC[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001589630300 949527771 /nfs/dbraw/zinc/52/77/71/949527771.db2.gz DFKGCMJNCRCIIS-AWEZNQCLSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])c1cccc(NC(=O)N2CCCC23CCCCC3)c1 ZINC001595249924 949547661 /nfs/dbraw/zinc/54/76/61/949547661.db2.gz TZGBXSFZVMBKNL-UHFFFAOYSA-N -1 0 302.374 3.715 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589637600 949630786 /nfs/dbraw/zinc/63/07/86/949630786.db2.gz LWIXAKAETOMNID-CABCVRRESA-N -1 0 312.454 3.537 20 0 DHADRM CCCCC1(NC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001589639837 949673940 /nfs/dbraw/zinc/67/39/40/949673940.db2.gz MZESURXPTUHBNK-UHFFFAOYSA-N -1 0 304.390 3.548 20 0 DHADRM CCCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@H](C)c1ccccc1 ZINC001589648082 949759067 /nfs/dbraw/zinc/75/90/67/949759067.db2.gz MNGUTFVKJZOPOR-HUUCEWRRSA-N -1 0 320.433 3.670 20 0 DHADRM CCCCN(C(=O)NC[C@@H](CC)C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001589648083 949759493 /nfs/dbraw/zinc/75/94/93/949759493.db2.gz MNGUTFVKJZOPOR-LSDHHAIUSA-N -1 0 320.433 3.670 20 0 DHADRM CC(C)(NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000236685683 949931039 /nfs/dbraw/zinc/93/10/39/949931039.db2.gz YZGULRRKGNOPTC-UHFFFAOYSA-N -1 0 323.801 3.662 20 0 DHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC001595277367 949936886 /nfs/dbraw/zinc/93/68/86/949936886.db2.gz DCQFAWVPLGXZCO-RQJHMYQMSA-N -1 0 323.559 3.663 20 0 DHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237676884 949973758 /nfs/dbraw/zinc/97/37/58/949973758.db2.gz JBHJBRGNYKATOW-QGZVFWFLSA-N -1 0 309.365 3.671 20 0 DHADRM O=C([O-])c1cccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000238062559 949991045 /nfs/dbraw/zinc/99/10/45/949991045.db2.gz MIVYPNDWXUPRSV-SFHVURJKSA-N -1 0 321.376 3.677 20 0 DHADRM CCC(CC)(CNC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC000262146443 950072002 /nfs/dbraw/zinc/07/20/02/950072002.db2.gz MUZQIYQXFFKIPH-UHFFFAOYSA-N -1 0 323.389 3.661 20 0 DHADRM C[C@@H](C(=O)[O-])c1noc(Cc2ccc(-c3ccccc3)cc2)n1 ZINC001602830308 971650470 /nfs/dbraw/zinc/65/04/70/971650470.db2.gz MWXNRFACMYRSKC-GFCCVEGCSA-N -1 0 308.337 3.516 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC(C)C)cc1 ZINC000320012669 950973869 /nfs/dbraw/zinc/97/38/69/950973869.db2.gz NQPXHSIVLKYURW-UHFFFAOYSA-N -1 0 313.353 3.733 20 0 DHADRM O=C([O-])[C@@H]1CCN(C[C@H]2CCC3(CCCC3)O2)c2ccccc21 ZINC000322627101 951032835 /nfs/dbraw/zinc/03/28/35/951032835.db2.gz PRMQMPNNLVBVQA-GDBMZVCRSA-N -1 0 315.413 3.557 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)C(C)(C)Cc1ccccc1)C(=O)[O-] ZINC001602859622 971711670 /nfs/dbraw/zinc/71/16/70/971711670.db2.gz OLUFYDPONKVZCA-HNNXBMFYSA-N -1 0 319.445 3.651 20 0 DHADRM Cc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)CCCCC3 ZINC000343210687 951131693 /nfs/dbraw/zinc/13/16/93/951131693.db2.gz DHBCMDGVQALXMI-UHFFFAOYSA-N -1 0 319.430 3.545 20 0 DHADRM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)nc1Cl ZINC001595012721 951267951 /nfs/dbraw/zinc/26/79/51/951267951.db2.gz QPTKDJVYWCKKOV-LLVKDONJSA-N -1 0 317.216 3.608 20 0 DHADRM O=C([O-])CCCC(=O)O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001595028976 951362326 /nfs/dbraw/zinc/36/23/26/951362326.db2.gz OLBMVMCREHCRAR-GFCCVEGCSA-N -1 0 324.682 3.742 20 0 DHADRM O=C([O-])CCCCNC(=O)c1ccc2c(c1)oc1ccccc12 ZINC001595044831 951438187 /nfs/dbraw/zinc/43/81/87/951438187.db2.gz SOSJXWITHWQEKI-UHFFFAOYSA-N -1 0 311.337 3.571 20 0 DHADRM O=C([O-])CCc1cccc(NCc2ccn(-c3ccccc3)n2)c1 ZINC001595066226 951548073 /nfs/dbraw/zinc/54/80/73/951548073.db2.gz DUUZLLNYGNRZMS-UHFFFAOYSA-N -1 0 321.380 3.502 20 0 DHADRM O=C([O-])CCc1cccc(NCc2c(Cl)ccnc2F)c1 ZINC001595066679 951556073 /nfs/dbraw/zinc/55/60/73/951556073.db2.gz UQAMJPUVIXHDLT-UHFFFAOYSA-N -1 0 308.740 3.503 20 0 DHADRM CCc1nc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)cs1 ZINC000381725859 971773321 /nfs/dbraw/zinc/77/33/21/971773321.db2.gz SCPXATWSKOEWFO-UHFFFAOYSA-N -1 0 324.833 3.689 20 0 DHADRM O=C([O-])CSCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001595128875 952024107 /nfs/dbraw/zinc/02/41/07/952024107.db2.gz PNQJFEHPUAXCTH-UHFFFAOYSA-N -1 0 317.288 3.678 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)C1CC(F)(F)C1 ZINC000383482706 971872084 /nfs/dbraw/zinc/87/20/84/971872084.db2.gz OMSSKPYIUWJGSY-UHFFFAOYSA-N -1 0 305.280 3.522 20 0 DHADRM CC(C)(CCC(=O)[O-])NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001602933609 971898824 /nfs/dbraw/zinc/89/88/24/971898824.db2.gz BVWRDTGPNNVMJY-MNOVXSKESA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(CCNC(=O)NC(C1CCCC1)C1CCCC1)C(=O)[O-] ZINC001602940612 971909256 /nfs/dbraw/zinc/90/92/56/971909256.db2.gz JBXVBDGRTSVSDA-UHFFFAOYSA-N -1 0 324.465 3.536 20 0 DHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589284994 953554285 /nfs/dbraw/zinc/55/42/85/953554285.db2.gz QQRPVNPPGFOISM-BYVUIAOWSA-N -1 0 319.401 3.664 20 0 DHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589284997 953554622 /nfs/dbraw/zinc/55/46/22/953554622.db2.gz QQRPVNPPGFOISM-LJXRPBPOSA-N -1 0 319.401 3.664 20 0 DHADRM CCc1c2ccccc2oc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001593626765 953556285 /nfs/dbraw/zinc/55/62/85/953556285.db2.gz QXYBVSOWSQNSDS-UHFFFAOYSA-N -1 0 317.385 3.568 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533188791 953567720 /nfs/dbraw/zinc/56/77/20/953567720.db2.gz RSFHUMGAPWNZTP-WBVHZDCISA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)Nc2ncccc2C(=O)[O-])CC(C)(C)C1 ZINC001589286058 953573083 /nfs/dbraw/zinc/57/30/83/953573083.db2.gz MLCHSONZAURWTE-VXGBXAGGSA-N -1 0 304.390 3.571 20 0 DHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCC(=O)[O-])C(C)C)cc1 ZINC000553726252 953582736 /nfs/dbraw/zinc/58/27/36/953582736.db2.gz CSKVAUAVQOXFQT-SFHVURJKSA-N -1 0 305.418 3.563 20 0 DHADRM CCc1ccc(CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001593637753 953621207 /nfs/dbraw/zinc/62/12/07/953621207.db2.gz IILCVNGPVDNVCI-INIZCTEOSA-N -1 0 319.445 3.577 20 0 DHADRM CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000567859512 953636814 /nfs/dbraw/zinc/63/68/14/953636814.db2.gz FVPZNFZKIJYTTC-PRHODGIISA-N -1 0 318.200 3.672 20 0 DHADRM O=C([O-])CN(Cc1csc(C2CCCCC2)n1)C1CCC1 ZINC000571536469 953661949 /nfs/dbraw/zinc/66/19/49/953661949.db2.gz JBXPOMGKDXPPRK-UHFFFAOYSA-N -1 0 308.447 3.630 20 0 DHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000597025645 953780964 /nfs/dbraw/zinc/78/09/64/953780964.db2.gz DMLQXIFYUJMHJV-BQBZGAKWSA-N -1 0 322.213 3.527 20 0 DHADRM CN(C(=O)CCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC001593676596 953935452 /nfs/dbraw/zinc/93/54/52/953935452.db2.gz YMMFPGYAJXSMFV-UHFFFAOYSA-N -1 0 304.173 3.601 20 0 DHADRM O=C([O-])[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC001594836562 954030297 /nfs/dbraw/zinc/03/02/97/954030297.db2.gz XWUZIZKFYZCFGC-INIZCTEOSA-N -1 0 313.328 3.542 20 0 DHADRM C[C@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001589347720 954060929 /nfs/dbraw/zinc/06/09/29/954060929.db2.gz HJJYLWIHKGVQSK-SUMWQHHRSA-N -1 0 315.413 3.527 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC001602974424 971982831 /nfs/dbraw/zinc/98/28/31/971982831.db2.gz IDZFGUUKUFOXPY-MRXNPFEDSA-N -1 0 314.337 3.741 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000653291378 954100529 /nfs/dbraw/zinc/10/05/29/954100529.db2.gz BQLKYUBCOOFGGC-UHFFFAOYSA-N -1 0 318.398 3.640 20 0 DHADRM Cc1cccc([C@H](C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000653331869 954162906 /nfs/dbraw/zinc/16/29/06/954162906.db2.gz XOBHFQDJKPMQFT-DOPJRALCSA-N -1 0 323.392 3.528 20 0 DHADRM C[C@H](Nc1nc(C(F)(F)F)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092814 954294218 /nfs/dbraw/zinc/29/42/18/954294218.db2.gz RHBUHZZCDFBQOW-BIIVOSGPSA-N -1 0 322.352 3.709 20 0 DHADRM CCC[C@H](C(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659121097 954308905 /nfs/dbraw/zinc/30/89/05/954308905.db2.gz PYDBZIVSKFNQAR-AWEZNQCLSA-N -1 0 311.809 3.547 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc(Cl)cc2ccccc21)C1CC1 ZINC000659126206 954309444 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ZINC000035731781 957223511 /nfs/dbraw/zinc/22/35/11/957223511.db2.gz IMRKLMFLCKYSMG-UHFFFAOYSA-N -1 0 310.708 3.635 20 0 DHADRM O=C([O-])c1ccc(SCc2noc(-c3ccsc3)n2)cc1 ZINC000036970429 957249437 /nfs/dbraw/zinc/24/94/37/957249437.db2.gz MRQBVJJIJRPMQO-UHFFFAOYSA-N -1 0 318.379 3.789 20 0 DHADRM O=C([O-])c1occc1CSc1ccc(C(F)(F)F)cn1 ZINC000037329618 957270303 /nfs/dbraw/zinc/27/03/03/957270303.db2.gz MEWXWIDPVIWUMH-UHFFFAOYSA-N -1 0 303.261 3.684 20 0 DHADRM O=C([O-])c1cc(NC(=O)CCc2ccccc2)ccc1Cl ZINC000037403968 957275722 /nfs/dbraw/zinc/27/57/22/957275722.db2.gz PCZDGCKOQVUUSM-UHFFFAOYSA-N -1 0 303.745 3.610 20 0 DHADRM CCCc1cc(C(=O)NCCCCCCC(=O)[O-])sc1C ZINC000037411265 957280005 /nfs/dbraw/zinc/28/00/05/957280005.db2.gz MXJNOUBSXFGEDG-UHFFFAOYSA-N -1 0 311.447 3.774 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1C ZINC000037448863 957290430 /nfs/dbraw/zinc/29/04/30/957290430.db2.gz YOYDJPYLGBQFJE-UHFFFAOYSA-N -1 0 307.371 3.834 20 0 DHADRM COc1cccc(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000037961165 957339013 /nfs/dbraw/zinc/33/90/13/957339013.db2.gz VBZFRVFGXBHLDK-CQSZACIVSA-N -1 0 309.724 3.726 20 0 DHADRM Nc1ccc(SCCOc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000041116025 957388007 /nfs/dbraw/zinc/38/80/07/957388007.db2.gz QHRQNIXCELUGMB-UHFFFAOYSA-N -1 0 323.801 3.792 20 0 DHADRM CCCCN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CC1 ZINC000048996535 957471244 /nfs/dbraw/zinc/47/12/44/957471244.db2.gz UWAHGLRLZSYCRO-UHFFFAOYSA-N -1 0 310.781 3.835 20 0 DHADRM O=C([O-])c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000049454512 957477737 /nfs/dbraw/zinc/47/77/37/957477737.db2.gz VYPBKXSMGXRMCX-UHFFFAOYSA-N -1 0 310.353 3.760 20 0 DHADRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000059948468 957567842 /nfs/dbraw/zinc/56/78/42/957567842.db2.gz YAVWYPYJCRNAFM-QGZVFWFLSA-N -1 0 309.365 3.503 20 0 DHADRM CCN(Cc1ccccc1Cl)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826945 957585252 /nfs/dbraw/zinc/58/52/52/957585252.db2.gz MNBFVDPIUXYCAM-UHFFFAOYSA-N -1 0 311.809 3.580 20 0 DHADRM CC(C)c1nc(NC(=O)CC2CCCCC2)sc1C(=O)[O-] ZINC000062469432 957603059 /nfs/dbraw/zinc/60/30/59/957603059.db2.gz FXGWAEGWFPIMPS-UHFFFAOYSA-N -1 0 310.419 3.874 20 0 DHADRM Cc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000062664497 957604164 /nfs/dbraw/zinc/60/41/64/957604164.db2.gz YCOHVVFRGXNODO-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CC(C)COc1ccccc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000066144684 957642903 /nfs/dbraw/zinc/64/29/03/957642903.db2.gz DTUPNARTQHDAOU-UHFFFAOYSA-N -1 0 314.337 3.639 20 0 DHADRM C=CCOc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000067456470 957645611 /nfs/dbraw/zinc/64/56/11/957645611.db2.gz VPRVCNFJFNOCSU-UHFFFAOYSA-N -1 0 317.385 3.615 20 0 DHADRM Cc1ccc(C[C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)s1 ZINC000080247632 957762834 /nfs/dbraw/zinc/76/28/34/957762834.db2.gz QYCWAWHGZPLTDA-QMMMGPOBSA-N -1 0 310.806 3.846 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@]2(C)CCCc3ccccc32)c1 ZINC001594287765 957793210 /nfs/dbraw/zinc/79/32/10/957793210.db2.gz YNHUWGJPPFOHJW-FQEVSTJZSA-N -1 0 323.392 3.675 20 0 DHADRM Cc1cc(C(C)(C)C)c(C)cc1OC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594289757 957818130 /nfs/dbraw/zinc/81/81/30/957818130.db2.gz BCGXGGAGYFJMSR-CHWSQXEVSA-N -1 0 304.386 3.617 20 0 DHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000084141867 957856691 /nfs/dbraw/zinc/85/66/91/957856691.db2.gz KDLHQCLTZIWMSS-UHFFFAOYSA-N -1 0 316.184 3.511 20 0 DHADRM O=C([O-])c1cccc(CNc2ccc(OC3CCCC3)nc2)c1 ZINC001574809095 957868414 /nfs/dbraw/zinc/86/84/14/957868414.db2.gz INSIJHXVTDJXEA-UHFFFAOYSA-N -1 0 312.369 3.713 20 0 DHADRM CN(Cc1ccc2ccccc2c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000390844588 972304250 /nfs/dbraw/zinc/30/42/50/972304250.db2.gz DUXOMEXFDUZTAD-UHFFFAOYSA-N -1 0 313.397 3.689 20 0 DHADRM Cc1cc(COC(=O)c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001594306854 957976205 /nfs/dbraw/zinc/97/62/05/957976205.db2.gz XERVYBXDNVWVEP-UHFFFAOYSA-N -1 0 304.729 3.704 20 0 DHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)Nc1ccccc1C(=O)[O-] ZINC001594310090 958001781 /nfs/dbraw/zinc/00/17/81/958001781.db2.gz BFGCMVXIAKEVRL-NSHDSACASA-N -1 0 316.332 3.715 20 0 DHADRM C[C@@H](c1ccc(F)cc1F)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000390948013 972309629 /nfs/dbraw/zinc/30/96/29/972309629.db2.gz QJVLPCZEUWTWCX-ZBEGNZNMSA-N -1 0 317.335 3.710 20 0 DHADRM CN(C)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000087846655 958035036 /nfs/dbraw/zinc/03/50/36/958035036.db2.gz LQBOQVDIXOJOFU-UHFFFAOYSA-N -1 0 304.777 3.716 20 0 DHADRM Cc1cc(NC(=O)N2CCC[C@H](C3CCC3)C2)ccc1C(=O)[O-] ZINC001594317970 958091679 /nfs/dbraw/zinc/09/16/79/958091679.db2.gz VGTNJKADEPXRQV-AWEZNQCLSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)[C@H](C)c1ccccc1 ZINC001603215165 972327209 /nfs/dbraw/zinc/32/72/09/972327209.db2.gz BQYAAOCTCAXXLO-LSDHHAIUSA-N -1 0 317.429 3.720 20 0 DHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594334386 958254078 /nfs/dbraw/zinc/25/40/78/958254078.db2.gz UHJAHHVZGUMSAQ-UHFFFAOYSA-N -1 0 324.380 3.641 20 0 DHADRM COc1ccc(C)c2c1N(Cc1cccc(C(=O)[O-])c1)CCC2 ZINC001594083603 958292585 /nfs/dbraw/zinc/29/25/85/958292585.db2.gz QZFZASBCPYWBBX-UHFFFAOYSA-N -1 0 311.381 3.655 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccccc1Cl ZINC000096713677 958338619 /nfs/dbraw/zinc/33/86/19/958338619.db2.gz OQVKVVQOFDATMK-UHFFFAOYSA-N -1 0 318.760 3.668 20 0 DHADRM Cc1ccc(C(F)(F)F)c(NC(=O)CCCCC(=O)[O-])c1 ZINC001594350757 958350228 /nfs/dbraw/zinc/35/02/28/958350228.db2.gz MCSHZYOSAJDGBY-UHFFFAOYSA-N -1 0 303.280 3.597 20 0 DHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594355437 958410866 /nfs/dbraw/zinc/41/08/66/958410866.db2.gz RSDARJDZFGTFOE-ZBFHGGJFSA-N -1 0 319.445 3.569 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC001594372559 958547073 /nfs/dbraw/zinc/54/70/73/958547073.db2.gz CFKMNFLXVYACLB-NVXWUHKLSA-N -1 0 324.380 3.738 20 0 DHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC001594372915 958554620 /nfs/dbraw/zinc/55/46/20/958554620.db2.gz LQABXMDYFWUEFH-LLVKDONJSA-N -1 0 319.188 3.533 20 0 DHADRM C=Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588478471 958567246 /nfs/dbraw/zinc/56/72/46/958567246.db2.gz BBNYVOIMJIMUOO-KWCYVHTRSA-N -1 0 316.401 3.587 20 0 DHADRM C/C(=C/C(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1 ZINC001588480283 958585567 /nfs/dbraw/zinc/58/55/67/958585567.db2.gz ODSQILKRKPZPMR-SEYXRHQNSA-N -1 0 319.376 3.523 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)C=C1CCC(C(C)(C)C)CC1)C1CC1 ZINC001573374338 958648174 /nfs/dbraw/zinc/64/81/74/958648174.db2.gz IEBJBDJZMDQXLV-PUODRLBUSA-N -1 0 307.434 3.613 20 0 DHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(SC(F)(F)F)cc1 ZINC001573374485 958649584 /nfs/dbraw/zinc/64/95/84/958649584.db2.gz KMUKYDOQLJRWFT-SFYZADRCSA-N -1 0 322.304 3.623 20 0 DHADRM CC(C)(C(=O)Nc1ccc(O)c(C(=O)[O-])c1)C1CCCCC1 ZINC001573381976 958667977 /nfs/dbraw/zinc/66/79/77/958667977.db2.gz SBFCHZUMRDXKTM-UHFFFAOYSA-N -1 0 305.374 3.635 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573391923 958708329 /nfs/dbraw/zinc/70/83/29/958708329.db2.gz ZRJJOGCZUGLSCY-XGUBFFRZSA-N -1 0 309.450 3.599 20 0 DHADRM Cc1csc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1Cl ZINC001594399427 958830676 /nfs/dbraw/zinc/83/06/76/958830676.db2.gz OUAUHTDPAPWGCP-LBPRGKRZSA-N -1 0 323.801 3.574 20 0 DHADRM Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC001594404753 958893238 /nfs/dbraw/zinc/89/32/38/958893238.db2.gz FOJKITNTEYZYRW-QZTJIDSGSA-N -1 0 323.392 3.639 20 0 DHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cccc(Cl)c1Cl ZINC000136724002 958908646 /nfs/dbraw/zinc/90/86/46/958908646.db2.gz DDHSYOAHOGNIHS-SNVBAGLBSA-N -1 0 318.200 3.613 20 0 DHADRM CC(C)(C)c1ccccc1COC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001573463474 958928070 /nfs/dbraw/zinc/92/80/70/958928070.db2.gz DVVGCDDJHJVIRM-SFHVURJKSA-N -1 0 304.386 3.528 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594411594 958955079 /nfs/dbraw/zinc/95/50/79/958955079.db2.gz ZTLXPBQBXSODOK-OCCSQVGLSA-N -1 0 324.380 3.708 20 0 DHADRM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594415415 958992686 /nfs/dbraw/zinc/99/26/86/958992686.db2.gz BHALTHCHIXXEQY-UHFFFAOYSA-N -1 0 312.365 3.714 20 0 DHADRM CC(C)CN(C(=O)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573517905 959113594 /nfs/dbraw/zinc/11/35/94/959113594.db2.gz IHXHXTAHLCQKTO-UHFFFAOYSA-N -1 0 317.307 3.559 20 0 DHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC001594425429 959115501 /nfs/dbraw/zinc/11/55/01/959115501.db2.gz FTZXTUZIFCKRLA-VHSXEESVSA-N -1 0 307.396 3.558 20 0 DHADRM Cc1ccc2oc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2c1 ZINC000392055012 972404044 /nfs/dbraw/zinc/40/40/44/972404044.db2.gz QZHXDOBWHGQFGL-UHFFFAOYSA-N -1 0 321.332 3.642 20 0 DHADRM CC(C)[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588570203 959179560 /nfs/dbraw/zinc/17/95/60/959179560.db2.gz OBYMDFAESGWPTC-WFASDCNBSA-N -1 0 305.418 3.518 20 0 DHADRM CC(C)C[C@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-] ZINC001573539722 959187917 /nfs/dbraw/zinc/18/79/17/959187917.db2.gz XWASWZSKUWZZNV-AWEZNQCLSA-N -1 0 311.809 3.693 20 0 DHADRM CSc1ccc(/C=C/c2nc(C3(C(=O)[O-])CCC3)no2)s1 ZINC001594194761 959189546 /nfs/dbraw/zinc/18/95/46/959189546.db2.gz LOTQLMWPGGWWFF-HWKANZROSA-N -1 0 322.411 3.530 20 0 DHADRM CSc1cccc(F)c1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594195943 959193373 /nfs/dbraw/zinc/19/33/73/959193373.db2.gz BMYSSJBETDHUBQ-UHFFFAOYSA-N -1 0 320.341 3.603 20 0 DHADRM CC(C)Cc1ccccc1COC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573543632 959196164 /nfs/dbraw/zinc/19/61/64/959196164.db2.gz IZAVJYWPNDBPGV-OAHLLOKOSA-N -1 0 306.402 3.675 20 0 DHADRM CSc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594198061 959216905 /nfs/dbraw/zinc/21/69/05/959216905.db2.gz VJOHJSXHGYATOG-GFCCVEGCSA-N -1 0 321.442 3.621 20 0 DHADRM O=C([O-])c1cnc(/C=C/c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000181446330 959437869 /nfs/dbraw/zinc/43/78/69/959437869.db2.gz NXICPVFISCZYNU-DUXPYHPUSA-N -1 0 310.718 3.573 20 0 DHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000183751079 959447003 /nfs/dbraw/zinc/44/70/03/959447003.db2.gz CPSOQUCPFZXGAR-UHFFFAOYSA-N -1 0 322.320 3.974 20 0 DHADRM O=C([O-])c1coc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000183806648 959451770 /nfs/dbraw/zinc/45/17/70/959451770.db2.gz NCJXHWSKOQXXMO-ZDUSSCGKSA-N -1 0 319.744 3.609 20 0 DHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Oc1c(Cl)ccc2ccccc21 ZINC001594231826 959481111 /nfs/dbraw/zinc/48/11/11/959481111.db2.gz UWEVMRUSIOAMJZ-JDNHERCYSA-N -1 0 304.729 3.509 20 0 DHADRM Cc1nc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2s1 ZINC001594464184 959491625 /nfs/dbraw/zinc/49/16/25/959491625.db2.gz JCTAXNJHFKZJNW-UHFFFAOYSA-N -1 0 312.350 3.555 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000190600864 959514568 /nfs/dbraw/zinc/51/45/68/959514568.db2.gz AVWWJFKFUAUPAV-OAHLLOKOSA-N -1 0 301.317 3.656 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000190652115 959516089 /nfs/dbraw/zinc/51/60/89/959516089.db2.gz KHLRVKQZFJXMGZ-HUUCEWRRSA-N -1 0 317.429 3.590 20 0 DHADRM Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000191385356 959554860 /nfs/dbraw/zinc/55/48/60/959554860.db2.gz SYKRWBRYTMTDQO-GFCCVEGCSA-N -1 0 315.344 3.650 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)C(=O)[O-] ZINC000191413220 959562418 /nfs/dbraw/zinc/56/24/18/959562418.db2.gz BLPBENWVMXNFCX-GFCCVEGCSA-N -1 0 322.364 3.683 20 0 DHADRM Cc1c(-c2nc([C@H](C)C(=O)[O-])no2)sc2cccc(F)c12 ZINC001594253721 959635534 /nfs/dbraw/zinc/63/55/34/959635534.db2.gz JDMWXBZKKHLGBV-ZETCQYMHSA-N -1 0 306.318 3.587 20 0 DHADRM CC(C)(C)CC[C@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-] ZINC001588650945 959766295 /nfs/dbraw/zinc/76/62/95/959766295.db2.gz SGWLCKVPOMSMPH-INIZCTEOSA-N -1 0 317.429 3.502 20 0 DHADRM CC1=C(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCC1 ZINC001573691611 959785721 /nfs/dbraw/zinc/78/57/21/959785721.db2.gz XRKHFLZKPOWUAT-UHFFFAOYSA-N -1 0 313.397 3.591 20 0 DHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c21 ZINC001573698182 959800827 /nfs/dbraw/zinc/80/08/27/959800827.db2.gz IURSJUGRVUXYKY-IJLUTSLNSA-N -1 0 301.386 3.521 20 0 DHADRM C[C@@H]1C[C@H](CC(=O)Nc2cccnc2C(=O)[O-])CC(C)(C)C1 ZINC001573702374 959841811 /nfs/dbraw/zinc/84/18/11/959841811.db2.gz YYBNWVUBKCQYTR-VXGBXAGGSA-N -1 0 304.390 3.571 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)Nc2cccnc2C(=O)[O-])CC(C)(C)C1 ZINC001573702371 959842206 /nfs/dbraw/zinc/84/22/06/959842206.db2.gz YYBNWVUBKCQYTR-NEPJUHHUSA-N -1 0 304.390 3.571 20 0 DHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)s1 ZINC001588654104 960407332 /nfs/dbraw/zinc/40/73/32/960407332.db2.gz VBKDJPRZMNXRPO-UHFFFAOYSA-N -1 0 311.447 3.619 20 0 DHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001574265767 960578275 /nfs/dbraw/zinc/57/82/75/960578275.db2.gz CGOUEEGTYKHZSW-SZRIQHFXSA-N -1 0 319.401 3.712 20 0 DHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001573769886 960654790 /nfs/dbraw/zinc/65/47/90/960654790.db2.gz GYVYSRWGEGETHV-KBPBESRZSA-N -1 0 317.429 3.557 20 0 DHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001574289183 960671947 /nfs/dbraw/zinc/67/19/47/960671947.db2.gz CHPWLIGCEAEGNJ-YIZRAAEISA-N -1 0 302.779 3.507 20 0 DHADRM CC[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001573776696 960694806 /nfs/dbraw/zinc/69/48/06/960694806.db2.gz ZKHJZYWTIJZPIS-OCCSQVGLSA-N -1 0 304.390 3.529 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236800512 960760212 /nfs/dbraw/zinc/76/02/12/960760212.db2.gz VUOVTMVUQIGPDW-CQSZACIVSA-N -1 0 305.418 3.650 20 0 DHADRM CC(C)c1ccsc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236810991 960763479 /nfs/dbraw/zinc/76/34/79/960763479.db2.gz VJGKAJNZAIJKOI-UHFFFAOYSA-N -1 0 317.410 3.842 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2ccc(C)c(C)c2)c1 ZINC001574315063 960777617 /nfs/dbraw/zinc/77/76/17/960777617.db2.gz HXGZVHUAHUFMMW-UHFFFAOYSA-N -1 0 311.381 3.582 20 0 DHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(C2CCCCC2)cc1 ZINC000237025452 960839410 /nfs/dbraw/zinc/83/94/10/960839410.db2.gz BKABWKOLPQCTJW-UHFFFAOYSA-N -1 0 303.402 3.671 20 0 DHADRM Cc1cc(C)nc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001574326227 960852795 /nfs/dbraw/zinc/85/27/95/960852795.db2.gz LFSPVSVGOYVEFH-INIZCTEOSA-N -1 0 324.424 3.742 20 0 DHADRM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC000237327871 960909577 /nfs/dbraw/zinc/90/95/77/960909577.db2.gz XAGLEHGDYBUXSL-LSDHHAIUSA-N -1 0 309.450 3.696 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@@H](C3CCCC3)C2)ccc1C(=O)[O-] ZINC001574338036 960918131 /nfs/dbraw/zinc/91/81/31/960918131.db2.gz WFFJWKNDTJNXHT-CQSZACIVSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237416579 960932414 /nfs/dbraw/zinc/93/24/14/960932414.db2.gz MBYIXDSWHFDRDU-LLVKDONJSA-N -1 0 317.772 3.871 20 0 DHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001319406232 960944344 /nfs/dbraw/zinc/94/43/44/960944344.db2.gz CJNMSGAFVVVBMS-WTQUMQLASA-N -1 0 323.392 3.731 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)C2CCCCCC2)C1 ZINC001573820426 960947913 /nfs/dbraw/zinc/94/79/13/960947913.db2.gz LWSPWSZKQSDPDF-RDTXWAMCSA-N -1 0 324.465 3.632 20 0 DHADRM Cc1cc2occ(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c2cc1C ZINC001574348311 960975608 /nfs/dbraw/zinc/97/56/08/960975608.db2.gz UDQRLRBCRXKDEU-IUODEOHRSA-N -1 0 315.369 3.517 20 0 DHADRM CCc1oc2ccccc2c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001320895044 960992372 /nfs/dbraw/zinc/99/23/72/960992372.db2.gz RCJLKAWYNHECSU-UHFFFAOYSA-N -1 0 323.348 3.875 20 0 DHADRM Cc1[nH]c2c(cccc2C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000237725730 961009379 /nfs/dbraw/zinc/00/93/79/961009379.db2.gz QTBFGINFFGMOFP-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM O=C([O-])c1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1 ZINC000237965957 961057125 /nfs/dbraw/zinc/05/71/25/961057125.db2.gz VRLJCSQBKDDUSL-UHFFFAOYSA-N -1 0 301.386 3.570 20 0 DHADRM CCCCC[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001573840231 961063565 /nfs/dbraw/zinc/06/35/65/961063565.db2.gz DBFHIQQJHAHXBH-BZUAXINKSA-N -1 0 303.402 3.535 20 0 DHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)/C=C/c1cccnc1 ZINC000238016574 961076351 /nfs/dbraw/zinc/07/63/51/961076351.db2.gz QPQNJVWRISMCBY-BQYQJAHWSA-N -1 0 318.332 3.585 20 0 DHADRM Cc1ccc(OCc2cccc(C(=O)[O-])c2)c2c1[C@@H](C)CC2=O ZINC001326311233 961079312 /nfs/dbraw/zinc/07/93/12/961079312.db2.gz RRFARFWPPFTZIU-LBPRGKRZSA-N -1 0 310.349 3.962 20 0 DHADRM CCCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC001573841712 961088999 /nfs/dbraw/zinc/08/89/99/961088999.db2.gz ZWFCBCVGAHANND-INIZCTEOSA-N -1 0 318.417 3.543 20 0 DHADRM CCCCOc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001573849178 961120505 /nfs/dbraw/zinc/12/05/05/961120505.db2.gz PPSNJOCQHUXKPK-MRXNPFEDSA-N -1 0 319.401 3.695 20 0 DHADRM Cc1ccc2sc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)nc2c1C ZINC001574383107 961122670 /nfs/dbraw/zinc/12/26/70/961122670.db2.gz CESAJVTXFZRWAI-LLVKDONJSA-N -1 0 320.414 3.599 20 0 DHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001574389582 961159563 /nfs/dbraw/zinc/15/95/63/961159563.db2.gz QTRBIVJBAGJAPL-DAXOMENPSA-N -1 0 309.365 3.681 20 0 DHADRM CCCc1sc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1CC ZINC001573867255 961202642 /nfs/dbraw/zinc/20/26/42/961202642.db2.gz ZXUHLLAFEZAIAV-DGCLKSJQSA-N -1 0 323.458 3.731 20 0 DHADRM C[C@H](CC1CCCCC1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001328494697 961210122 /nfs/dbraw/zinc/21/01/22/961210122.db2.gz PSWITEZRJSTEGR-CYBMUJFWSA-N -1 0 315.413 3.834 20 0 DHADRM O=C(Nc1nc2c(s1)CCCCCC2)c1c([O-])cccc1F ZINC001626669648 1013235937 /nfs/dbraw/zinc/23/59/37/1013235937.db2.gz WXBPWWQUZZYVPI-UHFFFAOYSA-N -1 0 320.389 3.899 20 0 DHADRM Cc1c2ccc(F)cc2sc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328574576 961213599 /nfs/dbraw/zinc/21/35/99/961213599.db2.gz QAOMUAAWLIFWBW-UHFFFAOYSA-N -1 0 323.389 3.674 20 0 DHADRM CCN(C(=O)CCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC001573871867 961213750 /nfs/dbraw/zinc/21/37/50/961213750.db2.gz LPLWPFGXFYIOJG-UHFFFAOYSA-N -1 0 304.173 3.601 20 0 DHADRM CC(C)(CC1CCCCCC1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588758181 961234390 /nfs/dbraw/zinc/23/43/90/961234390.db2.gz NGRQBFJHNFQSFV-UHFFFAOYSA-N -1 0 318.417 3.649 20 0 DHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cccnc1C(=O)[O-] ZINC001574402430 961241884 /nfs/dbraw/zinc/24/18/84/961241884.db2.gz JUZKSDOJRAJUCB-CHWSQXEVSA-N -1 0 324.380 3.708 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000261692347 961387186 /nfs/dbraw/zinc/38/71/86/961387186.db2.gz NWXKNOHGEHKHAR-SFHVURJKSA-N -1 0 323.392 3.762 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(SC(C)C)cc1 ZINC000262070788 961428972 /nfs/dbraw/zinc/42/89/72/961428972.db2.gz CIDVRSURCCVMGA-LBPRGKRZSA-N -1 0 309.431 3.512 20 0 DHADRM CC(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001588813054 961534651 /nfs/dbraw/zinc/53/46/51/961534651.db2.gz INIQEOHMWDCTDF-SNVBAGLBSA-N -1 0 322.304 3.561 20 0 DHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)n1 ZINC000262211522 961558844 /nfs/dbraw/zinc/55/88/44/961558844.db2.gz VZASCSMQORVWSE-QGZVFWFLSA-N -1 0 324.380 3.537 20 0 DHADRM Cc1ccc(Br)c(-n2[n-]c(C3(C)CC3)cc2=O)c1 ZINC000634617499 1013271917 /nfs/dbraw/zinc/27/19/17/1013271917.db2.gz QGMOKXHWIAMZBK-UHFFFAOYSA-N -1 0 307.191 3.650 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000262311177 961636450 /nfs/dbraw/zinc/63/64/50/961636450.db2.gz PVJCTZWWFNYVAI-QWRGUYRKSA-N -1 0 315.291 3.692 20 0 DHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262343876 961657069 /nfs/dbraw/zinc/65/70/69/961657069.db2.gz GMTKNTJXMLCJSS-GHMZBOCLSA-N -1 0 307.365 3.563 20 0 DHADRM CCc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC001573956364 961671892 /nfs/dbraw/zinc/67/18/92/961671892.db2.gz FATZIVMMYMPODB-UHFFFAOYSA-N -1 0 312.797 3.667 20 0 DHADRM CC(C)[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC001588841340 961802537 /nfs/dbraw/zinc/80/25/37/961802537.db2.gz XOOSSJCZCCFAFM-DZGCQCFKSA-N -1 0 303.402 3.520 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001588842057 961814573 /nfs/dbraw/zinc/81/45/73/961814573.db2.gz VBVBRKJTCYDYNP-OCCSQVGLSA-N -1 0 319.405 3.506 20 0 DHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262705425 961816344 /nfs/dbraw/zinc/81/63/44/961816344.db2.gz JHVZCWARUOPULR-ULQDDVLXSA-N -1 0 315.413 3.550 20 0 DHADRM CC(C)[C@@H]1N(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC12CCCC2 ZINC001588842647 961822919 /nfs/dbraw/zinc/82/29/19/961822919.db2.gz KNYHNJRNOUOXPM-ZDUSSCGKSA-N -1 0 321.461 3.551 20 0 DHADRM Cc1oc(CN(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)cc1C(=O)[O-] ZINC001334865571 961847269 /nfs/dbraw/zinc/84/72/69/961847269.db2.gz QYCGYUYEGPGIQC-SFHVURJKSA-N -1 0 319.401 3.771 20 0 DHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@H](C)CC(=O)[O-])o2)c1 ZINC000262771276 961858458 /nfs/dbraw/zinc/85/84/58/961858458.db2.gz MIXQUKJONKDPBU-GFCCVEGCSA-N -1 0 315.369 3.663 20 0 DHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000262829162 961894556 /nfs/dbraw/zinc/89/45/56/961894556.db2.gz BLGOVTOPEUUNBF-QWHCGFSZSA-N -1 0 315.394 3.855 20 0 DHADRM CCCCCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262935630 962019213 /nfs/dbraw/zinc/01/92/13/962019213.db2.gz HHXVMLPPGZPQCS-UHFFFAOYSA-N -1 0 317.429 3.746 20 0 DHADRM CC(C)CCCCCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588867571 962027618 /nfs/dbraw/zinc/02/76/18/962027618.db2.gz TUQTUSUXTCGVCX-SFHVURJKSA-N -1 0 305.418 3.709 20 0 DHADRM CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000519359751 1013309983 /nfs/dbraw/zinc/30/99/83/1013309983.db2.gz HTSGVMQGIHKBSH-AWEZNQCLSA-N -1 0 318.417 3.530 20 0 DHADRM CC(C)CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001588872170 962091462 /nfs/dbraw/zinc/09/14/62/962091462.db2.gz GWLWAFXAPKEFSL-OAHLLOKOSA-N -1 0 306.406 3.506 20 0 DHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263007338 962104803 /nfs/dbraw/zinc/10/48/03/962104803.db2.gz HBOYHWOQDXVQEP-HNNXBMFYSA-N -1 0 324.380 3.600 20 0 DHADRM CC(C)CON(CC1CCCCC1)C(=O)CCCCC(=O)[O-] ZINC001588875339 962110586 /nfs/dbraw/zinc/11/05/86/962110586.db2.gz AUOOFCYPHMFOML-UHFFFAOYSA-N -1 0 313.438 3.628 20 0 DHADRM CCSc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001344551079 962198936 /nfs/dbraw/zinc/19/89/36/962198936.db2.gz QONFZXGKWVEFIM-UHFFFAOYSA-N -1 0 321.442 3.564 20 0 DHADRM Cc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)c(-c2cnn(C)c2)c1 ZINC000519435174 1013322366 /nfs/dbraw/zinc/32/23/66/1013322366.db2.gz JLKITUXTBPKRHB-AATRIKPKSA-N -1 0 319.364 3.659 20 0 DHADRM CCC[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])C(C)C ZINC000263099628 962249791 /nfs/dbraw/zinc/24/97/91/962249791.db2.gz ITQOPXOVHODFQQ-KBMXLJTQSA-N -1 0 305.418 3.637 20 0 DHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000263113306 962264967 /nfs/dbraw/zinc/26/49/67/962264967.db2.gz JUQKIOPHXUEUQE-LSDHHAIUSA-N -1 0 309.381 3.530 20 0 DHADRM CC(C)Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001588906015 962272751 /nfs/dbraw/zinc/27/27/51/962272751.db2.gz FZZACYNJWPHKPV-HNNXBMFYSA-N -1 0 317.410 3.502 20 0 DHADRM CC(C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(F)c1 ZINC001588912572 962326935 /nfs/dbraw/zinc/32/69/35/962326935.db2.gz NLKJFJRMWGLXPG-VOTSOKGWSA-N -1 0 317.316 3.572 20 0 DHADRM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC001588912829 962331319 /nfs/dbraw/zinc/33/13/19/962331319.db2.gz UGPPTYNROZCSQA-CLFYSBASSA-N -1 0 317.316 3.572 20 0 DHADRM CCCc1occc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263182547 962338579 /nfs/dbraw/zinc/33/85/79/962338579.db2.gz HLBQPOMBPIYDMW-LLVKDONJSA-N -1 0 301.342 3.673 20 0 DHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000263188734 962343197 /nfs/dbraw/zinc/34/31/97/962343197.db2.gz IFRYKNFQQIXNEE-KRWDZBQOSA-N -1 0 323.458 3.564 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cncc3ccccc32)CCCCCC1 ZINC001574640494 962346779 /nfs/dbraw/zinc/34/67/79/962346779.db2.gz FEFIENHVWJVSBP-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263196544 962351483 /nfs/dbraw/zinc/35/14/83/962351483.db2.gz JFXYXWHXNBIJQE-KBPBESRZSA-N -1 0 321.417 3.655 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000263248947 962391281 /nfs/dbraw/zinc/39/12/81/962391281.db2.gz DNHMLKPJKJUIGW-AWEZNQCLSA-N -1 0 323.820 3.519 20 0 DHADRM O=C([O-])CCCCC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000263279873 962417991 /nfs/dbraw/zinc/41/79/91/962417991.db2.gz JLZHLMNUFJWEMU-UHFFFAOYSA-N -1 0 317.429 3.551 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000263337377 962485969 /nfs/dbraw/zinc/48/59/69/962485969.db2.gz RDHVIHSZCGSHJT-UHFFFAOYSA-N -1 0 315.394 3.560 20 0 DHADRM CC(C)c1nc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cs1 ZINC000263363220 962519516 /nfs/dbraw/zinc/51/95/16/962519516.db2.gz YYTDQVGWYMUVNY-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM O=C([O-])CC1(C(=O)O[C@@H]2CCCc3c(F)cc(F)cc32)CCC1 ZINC001574675290 962556594 /nfs/dbraw/zinc/55/65/94/962556594.db2.gz HIROWDOEZVXYRD-CQSZACIVSA-N -1 0 324.323 3.530 20 0 DHADRM O=C([O-])[C@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263417528 962587280 /nfs/dbraw/zinc/58/72/80/962587280.db2.gz NTTBIPPEJHEAEZ-JTQLQIEISA-N -1 0 321.726 3.655 20 0 DHADRM CC(C)Cn1ncc(NCc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000263422957 962594217 /nfs/dbraw/zinc/59/42/17/962594217.db2.gz PMQBCUGPRODTCX-UHFFFAOYSA-N -1 0 313.401 3.727 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001588964122 962644701 /nfs/dbraw/zinc/64/47/01/962644701.db2.gz RPKKWIJPBHAFJM-CYBMUJFWSA-N -1 0 310.781 3.544 20 0 DHADRM COc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000024077996 1013360187 /nfs/dbraw/zinc/36/01/87/1013360187.db2.gz JLWXTRNDRIKDBN-SECBINFHSA-N -1 0 323.751 3.684 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000263466350 962653216 /nfs/dbraw/zinc/65/32/16/962653216.db2.gz WROWXJHUQYPFCU-MWDXBVQZSA-N -1 0 321.461 3.696 20 0 DHADRM O=C([O-])C1CCC(Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000263469712 962655765 /nfs/dbraw/zinc/65/57/65/962655765.db2.gz KYMPPFKANNYRQP-UHFFFAOYSA-N -1 0 301.308 3.847 20 0 DHADRM O=C([O-])CCCC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001574697656 962670492 /nfs/dbraw/zinc/67/04/92/962670492.db2.gz XOBBLCIVXHFNCK-ZFWWWQNUSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])CCCCC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001574699819 962676458 /nfs/dbraw/zinc/67/64/58/962676458.db2.gz UIGOMUFSGSNNAB-ZFWWWQNUSA-N -1 0 323.820 3.737 20 0 DHADRM O=C([O-])C1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 ZINC000263501278 962685427 /nfs/dbraw/zinc/68/54/27/962685427.db2.gz KWMWPVBVFLSCIE-UHFFFAOYSA-N -1 0 322.817 3.765 20 0 DHADRM CCCc1occc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000263558134 962728553 /nfs/dbraw/zinc/72/85/53/962728553.db2.gz ZVZIJGQGCUESDI-UHFFFAOYSA-N -1 0 301.342 3.799 20 0 DHADRM CC[C@H](CN(CC)C(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000263579438 962745470 /nfs/dbraw/zinc/74/54/70/962745470.db2.gz USJBTQKOXLBCOG-OAHLLOKOSA-N -1 0 305.418 3.674 20 0 DHADRM CC(C)Sc1ccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001520193606 962842271 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CCc1cc(=O)[nH]c(-c2ccc(N(CC)C[C@@H](C)CC)nc2)n1 ZINC000579901279 1013428077 /nfs/dbraw/zinc/42/80/77/1013428077.db2.gz HVAOWHNBSIIRIG-ZDUSSCGKSA-N -1 0 314.433 3.679 20 0 DHADRM CCCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H](C)CCC ZINC000236743787 1013436151 /nfs/dbraw/zinc/43/61/51/1013436151.db2.gz NXMXZAVMHPDAFO-ZDUSSCGKSA-N -1 0 306.406 3.601 20 0 DHADRM C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ncc(C(=O)[O-])s1 ZINC000314926029 963830747 /nfs/dbraw/zinc/83/07/47/963830747.db2.gz IJAXTXJMRFSDKO-VHSXEESVSA-N -1 0 316.382 3.999 20 0 DHADRM O=C([O-])CC1(CC(=O)N2CCC[C@H]2c2ccsc2)CCCC1 ZINC000315363006 963890035 /nfs/dbraw/zinc/89/00/35/963890035.db2.gz BNASZPPDEHVPQH-AWEZNQCLSA-N -1 0 321.442 3.837 20 0 DHADRM O=C(NCCCc1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC001167980318 1013461542 /nfs/dbraw/zinc/46/15/42/1013461542.db2.gz MKMCDZZSBUIPFB-UHFFFAOYSA-N -1 0 314.168 3.655 20 0 DHADRM O=C([O-])C1(CNC(=O)/C=C\c2ccc(Cl)cc2)CCCCC1 ZINC000317032286 964088924 /nfs/dbraw/zinc/08/89/24/964088924.db2.gz 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20 0 DHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000579548867 968470946 /nfs/dbraw/zinc/47/09/46/968470946.db2.gz HPXPIWRFJOTPNR-CQSZACIVSA-N -1 0 324.336 3.667 20 0 DHADRM C[C@H]1CN(Cc2ccc(F)c(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000625970651 968513549 /nfs/dbraw/zinc/51/35/49/968513549.db2.gz WSSJJHCFZWTCKI-WCBMZHEXSA-N -1 0 320.191 3.675 20 0 DHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000630569547 968538948 /nfs/dbraw/zinc/53/89/48/968538948.db2.gz PGHLKYFDYFNIIQ-RYUDHWBXSA-N -1 0 324.808 3.531 20 0 DHADRM CN(C(=O)C1(C(=O)[O-])CCC1)c1ccc(-c2ccccc2)cc1 ZINC000663086322 968794707 /nfs/dbraw/zinc/79/47/07/968794707.db2.gz MYHPPJLJSRCSOQ-UHFFFAOYSA-N -1 0 309.365 3.571 20 0 DHADRM Cc1c(Cl)cc(NC(=O)NCCCCC(=O)[O-])cc1Cl ZINC000669497214 968856783 /nfs/dbraw/zinc/85/67/83/968856783.db2.gz OZFNVTRCPRQANB-UHFFFAOYSA-N -1 0 319.188 3.678 20 0 DHADRM Cc1ccc(F)c(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000683920530 968873826 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306.318 3.949 20 0 DHADRM CC(C)(C)c1cnc(CN2CCCc3c(C(=O)[O-])cccc32)o1 ZINC000319888283 970585796 /nfs/dbraw/zinc/58/57/96/970585796.db2.gz XVKKKGDURBKGEB-UHFFFAOYSA-N -1 0 314.385 3.623 20 0 DHADRM CSc1cc(C)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001604963110 972551211 /nfs/dbraw/zinc/55/12/11/972551211.db2.gz YWWWRGUOEBWSBR-LBPRGKRZSA-N -1 0 324.446 3.585 20 0 DHADRM O=C([O-])c1cc(NC(=O)Nc2ccc(C3CCC3)cc2)ccn1 ZINC001605851773 972597367 /nfs/dbraw/zinc/59/73/67/972597367.db2.gz QJSVLVOSCMUNAA-UHFFFAOYSA-N -1 0 311.341 3.691 20 0 DHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC001605863437 972619119 /nfs/dbraw/zinc/61/91/19/972619119.db2.gz QLULOUFGOYGSMP-ZDUSSCGKSA-N -1 0 320.295 3.513 20 0 DHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC001603323936 972664250 /nfs/dbraw/zinc/66/42/50/972664250.db2.gz NSQLIHMXQIDBQV-FQEVSTJZSA-N -1 0 324.376 3.684 20 0 DHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001603328847 972684464 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Cc1cccn2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc12 ZINC001605207444 972951000 /nfs/dbraw/zinc/95/10/00/972951000.db2.gz XJYUHDZYKCCOEN-UHFFFAOYSA-N -1 0 308.337 3.507 20 0 DHADRM Cc1cc(OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc(C)c1Cl ZINC001605216535 972960238 /nfs/dbraw/zinc/96/02/38/972960238.db2.gz CCVZORUGQVMOCN-INIZCTEOSA-N -1 0 308.761 3.673 20 0 DHADRM Cc1ccc(C)c(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001605254489 973018638 /nfs/dbraw/zinc/01/86/38/973018638.db2.gz LIFJBZQYVDBDBJ-CYBMUJFWSA-N -1 0 306.406 3.704 20 0 DHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2cncc(C(=O)[O-])c2)C1(C)C ZINC001603394763 973026983 /nfs/dbraw/zinc/02/69/83/973026983.db2.gz MPTNNKBXJXXNMH-UULLWKHXSA-N -1 0 316.401 3.737 20 0 DHADRM C[C@H]1CCC[C@@H](C2CN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)C1 ZINC001603397437 973039095 /nfs/dbraw/zinc/03/90/95/973039095.db2.gz MVLFMWAANZKFFT-LSDHHAIUSA-N -1 0 321.461 3.696 20 0 DHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001603399407 973045752 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C[C@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccccc1 ZINC001603450189 973248526 /nfs/dbraw/zinc/24/85/26/973248526.db2.gz BUEBOVRQOHYBJR-SCLBCKFNSA-N -1 0 324.380 3.539 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001605350776 973252989 /nfs/dbraw/zinc/25/29/89/973252989.db2.gz HCICZXXOYOXFLY-GFCCVEGCSA-N -1 0 313.353 3.531 20 0 DHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000400412120 973274681 /nfs/dbraw/zinc/27/46/81/973274681.db2.gz YROKVFFUQZGLDU-KWQFWETISA-N -1 0 318.200 3.613 20 0 DHADRM CCOC(=O)Nc1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC001210968836 1014098853 /nfs/dbraw/zinc/09/88/53/1014098853.db2.gz LUAGQCTWSADFAZ-UHFFFAOYSA-N -1 0 300.314 3.697 20 0 DHADRM Cc1ccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000683920845 1014109078 /nfs/dbraw/zinc/10/90/78/1014109078.db2.gz CMEGTLFXOOKLQY-IRXDYDNUSA-N -1 0 324.380 3.817 20 0 DHADRM O=C([O-])CCc1cccc(NC(=O)c2ccsc2Cl)c1 ZINC001606215725 973464776 /nfs/dbraw/zinc/46/47/76/973464776.db2.gz QLJVTVHHJZJLSO-UHFFFAOYSA-N -1 0 309.774 3.671 20 0 DHADRM CCOc1ccc(F)c([N-]c2nnc(Br)s2)c1 ZINC001211051007 1014118219 /nfs/dbraw/zinc/11/82/19/1014118219.db2.gz RIKNDDQRSQYQCN-UHFFFAOYSA-N -1 0 318.171 3.582 20 0 DHADRM CC[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001603516348 973532936 /nfs/dbraw/zinc/53/29/36/973532936.db2.gz RFPGQLVQASRAQD-RFQIPJPRSA-N -1 0 311.466 3.700 20 0 DHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001603549340 973610738 /nfs/dbraw/zinc/61/07/38/973610738.db2.gz QCXDMKHJLKSBNB-UHFFFAOYSA-N -1 0 321.402 3.565 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603549350 973610868 /nfs/dbraw/zinc/61/08/68/973610868.db2.gz QMQQNTRXQPBLCT-ZDUSSCGKSA-N -1 0 304.390 3.715 20 0 DHADRM CC[C@H](SCCCC(=O)Nc1c(C)cccc1C)C(=O)[O-] ZINC001603594126 973817191 /nfs/dbraw/zinc/81/71/91/973817191.db2.gz XUOILWNCBMJSHK-ZDUSSCGKSA-N -1 0 309.431 3.619 20 0 DHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCC2=CCCCCC2)C1 ZINC001603600957 973845772 /nfs/dbraw/zinc/84/57/72/973845772.db2.gz OYHWOJCDPMXQNT-GOSISDBHSA-N -1 0 322.449 3.553 20 0 DHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001603601150 973848984 /nfs/dbraw/zinc/84/89/84/973848984.db2.gz GKHDERABIFANLQ-IBGZPJMESA-N -1 0 317.429 3.701 20 0 DHADRM COc1c(C)cc(Cl)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001604675382 973868589 /nfs/dbraw/zinc/86/85/89/973868589.db2.gz VCOPRERSIJHXKF-UHFFFAOYSA-N -1 0 319.744 3.608 20 0 DHADRM CCC[C@H](C(=O)N(CC(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC001603627962 973941671 /nfs/dbraw/zinc/94/16/71/973941671.db2.gz OXMQCSYCOKEFNJ-HNNXBMFYSA-N -1 0 323.820 3.689 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603628340 973945756 /nfs/dbraw/zinc/94/57/56/973945756.db2.gz HTBAXVARNVUHHM-KRWDZBQOSA-N -1 0 324.380 3.561 20 0 DHADRM CCC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C(C)(C)C ZINC001603633497 973959792 /nfs/dbraw/zinc/95/97/92/973959792.db2.gz DFIWDFPBEFFVME-CQSZACIVSA-N -1 0 306.406 3.650 20 0 DHADRM CCC[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])C1CCCC1 ZINC001603633976 973965424 /nfs/dbraw/zinc/96/54/24/973965424.db2.gz UCLXPCJXLNZNKZ-AWEZNQCLSA-N -1 0 312.454 3.536 20 0 DHADRM CCCC[C@H](CCC)CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603639674 973977085 /nfs/dbraw/zinc/97/70/85/973977085.db2.gz AOMSHPDZWBEQDG-YXVBKTCISA-N -1 0 307.390 3.714 20 0 DHADRM O=C([O-])c1ccc(F)c(Oc2nc3ccccc3n3cncc23)c1 ZINC001606495868 973982565 /nfs/dbraw/zinc/98/25/65/973982565.db2.gz LBIOSEGVLFBUPH-UHFFFAOYSA-N -1 0 323.283 3.512 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001603641221 973989000 /nfs/dbraw/zinc/98/90/00/973989000.db2.gz XBVRTQPGYIYRDP-CYBMUJFWSA-N -1 0 307.390 3.617 20 0 DHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603641957 973995522 /nfs/dbraw/zinc/99/55/22/973995522.db2.gz UZKGRPMCZSBBHL-GOEBONIOSA-N -1 0 318.417 3.543 20 0 DHADRM Cc1cc2ccccc2c(NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424382438 974023151 /nfs/dbraw/zinc/02/31/51/974023151.db2.gz BBULIMVPPXJDRZ-UHFFFAOYSA-N -1 0 314.385 3.771 20 0 DHADRM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1sccc1C(=O)[O-] ZINC001605668758 974071780 /nfs/dbraw/zinc/07/17/80/974071780.db2.gz VRZBPKLZRXQLEI-RQOWECAXSA-N -1 0 312.350 3.580 20 0 DHADRM CCCOc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001603680417 974073822 /nfs/dbraw/zinc/07/38/22/974073822.db2.gz UUEPREYPZSAHIF-UHFFFAOYSA-N -1 0 313.353 3.734 20 0 DHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C)cc1C ZINC001603714764 974128082 /nfs/dbraw/zinc/12/80/82/974128082.db2.gz VIJDDKJBBPFVSW-VURMDHGXSA-N -1 0 313.353 3.661 20 0 DHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478847424 974211035 /nfs/dbraw/zinc/21/10/35/974211035.db2.gz DUZVYQITSMBONQ-NHYWBVRUSA-N -1 0 307.365 3.613 20 0 DHADRM CC(C)Oc1c(NCc2cccc(F)c2)cccc1C(=O)[O-] ZINC000485381148 974228508 /nfs/dbraw/zinc/22/85/08/974228508.db2.gz JUNZJURROUJPHX-UHFFFAOYSA-N -1 0 303.333 3.923 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000485843105 974238418 /nfs/dbraw/zinc/23/84/18/974238418.db2.gz DQTONCQXPYVULE-AWEZNQCLSA-N -1 0 321.417 3.899 20 0 DHADRM CCOC(=O)c1cccc(SCCC2(C(=O)[O-])CCC2)c1 ZINC001603814228 974291335 /nfs/dbraw/zinc/29/13/35/974291335.db2.gz GXABDUQOBUAFDW-UHFFFAOYSA-N -1 0 308.399 3.600 20 0 DHADRM CCc1oc2ccccc2c1CN(C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000519713550 974333742 /nfs/dbraw/zinc/33/37/42/974333742.db2.gz YKYYERZFIZXRSG-GOSISDBHSA-N -1 0 324.380 3.648 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000656238820 1014185780 /nfs/dbraw/zinc/18/57/80/1014185780.db2.gz LEPZBMHQMKENRT-NSHDSACASA-N -1 0 323.364 3.587 20 0 DHADRM CCc1ccc([C@@H](NC(=O)c2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000541836862 974412628 /nfs/dbraw/zinc/41/26/28/974412628.db2.gz WSXRFVNCCZIUPK-INIZCTEOSA-N -1 0 315.369 3.667 20 0 DHADRM O=C([O-])c1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)cc1 ZINC000556931722 974491005 /nfs/dbraw/zinc/49/10/05/974491005.db2.gz WVYYVMLDTFSVGC-GOSISDBHSA-N -1 0 312.365 4.000 20 0 DHADRM CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000563277329 974524843 /nfs/dbraw/zinc/52/48/43/974524843.db2.gz FXQLJTVZASNXQG-CYBMUJFWSA-N -1 0 314.385 3.662 20 0 DHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)CC(=O)[O-])C(C)(C)C)c1 ZINC000565433449 974582697 /nfs/dbraw/zinc/58/26/97/974582697.db2.gz PYWUJQKXICTBBD-DYVFJYSZSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)CC(=O)[O-])C(C)(C)C)c1 ZINC000565433452 974583203 /nfs/dbraw/zinc/58/32/03/974583203.db2.gz PYWUJQKXICTBBD-SUMWQHHRSA-N -1 0 305.418 3.699 20 0 DHADRM Cc1sc(N2CC[C@H](c3ccccc3)[C@H]2C)nc1C(=O)[O-] ZINC000565719439 974588243 /nfs/dbraw/zinc/58/82/43/974588243.db2.gz XCTZIMJWQJGPDS-MFKMUULPSA-N -1 0 302.399 3.532 20 0 DHADRM CC(C)CN(CC(=O)[O-])Cc1csc(C2CCCCC2)n1 ZINC000566360907 974608711 /nfs/dbraw/zinc/60/87/11/974608711.db2.gz CMLLGDXFWITKHZ-UHFFFAOYSA-N -1 0 310.463 3.733 20 0 DHADRM O=C([O-])c1csc(CN2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000568059974 974655919 /nfs/dbraw/zinc/65/59/19/974655919.db2.gz NJZWIOVSIBMAGV-ZDUSSCGKSA-N -1 0 322.817 3.832 20 0 DHADRM Cc1ccc2cccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c2n1 ZINC000568583997 974674577 /nfs/dbraw/zinc/67/45/77/974674577.db2.gz PKYLFNGERLBLSD-UHFFFAOYSA-N -1 0 324.311 3.633 20 0 DHADRM O=C([O-])c1cccc(Cl)c1CN1CC=C(C(F)(F)F)CC1 ZINC000572773858 974754366 /nfs/dbraw/zinc/75/43/66/974754366.db2.gz JQLXBEYSCLAVEN-UHFFFAOYSA-N -1 0 319.710 3.733 20 0 DHADRM CCc1nc(CN(C)Cc2c(Cl)cccc2C(=O)[O-])cs1 ZINC000576114591 974808205 /nfs/dbraw/zinc/80/82/05/974808205.db2.gz YDXJDAZSPRYHIZ-UHFFFAOYSA-N -1 0 324.833 3.689 20 0 DHADRM C[C@@H](NCc1ccc2c(c1)CCCC2)c1ncc(C(=O)[O-])s1 ZINC000576875473 974823838 /nfs/dbraw/zinc/82/38/38/974823838.db2.gz KHNWOYSYFZZNBK-LLVKDONJSA-N -1 0 316.426 3.571 20 0 DHADRM Cc1ccccc1C1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCC1 ZINC000578339930 974852817 /nfs/dbraw/zinc/85/28/17/974852817.db2.gz WSDJDDDSCFNIDS-UHFFFAOYSA-N -1 0 323.392 3.683 20 0 DHADRM CSc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Cl ZINC000578453060 974854813 /nfs/dbraw/zinc/85/48/13/974854813.db2.gz DOYPVLYGAAKLHR-MRVPVSSYSA-N -1 0 301.795 3.501 20 0 DHADRM Cc1ccc(C2CC2)c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000578981830 974865293 /nfs/dbraw/zinc/86/52/93/974865293.db2.gz YROABISNSPREQT-UHFFFAOYSA-N -1 0 315.413 3.589 20 0 DHADRM Cc1oc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000579240242 974871684 /nfs/dbraw/zinc/87/16/84/974871684.db2.gz GRQXBPINGLLJPH-MRXNPFEDSA-N -1 0 303.333 3.762 20 0 DHADRM Cc1oc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000580085255 974889002 /nfs/dbraw/zinc/88/90/02/974889002.db2.gz PRPSAIUDZPJWPC-VIFPVBQESA-N -1 0 309.312 3.757 20 0 DHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cc(Cl)ccc1F ZINC000581256539 974907772 /nfs/dbraw/zinc/90/77/72/974907772.db2.gz YCEUXELIGMOIPF-SECBINFHSA-N -1 0 311.740 3.963 20 0 DHADRM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccoc2C(=O)[O-])C2CC2)o1 ZINC000583445793 974941415 /nfs/dbraw/zinc/94/14/15/974941415.db2.gz BCNXLGFCOXDFOW-ABAIWWIYSA-N -1 0 315.369 3.859 20 0 DHADRM O=C([O-])c1csc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)n1 ZINC000584118610 974950471 /nfs/dbraw/zinc/95/04/71/974950471.db2.gz DFIXXTDXPYXODA-CYBMUJFWSA-N -1 0 308.447 3.776 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000630135161 975119832 /nfs/dbraw/zinc/11/98/32/975119832.db2.gz JMUJDYUZNBCECN-UKRRQHHQSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)oc1C(=O)[O-] ZINC000630150582 975130775 /nfs/dbraw/zinc/13/07/75/975130775.db2.gz CGZWRKBXSWEAOC-HNNXBMFYSA-N -1 0 313.353 3.557 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H](C)c2ccco2)c1 ZINC000630194766 975152479 /nfs/dbraw/zinc/15/24/79/975152479.db2.gz VBOQNKXRDZAPJK-NWDGAFQWSA-N -1 0 301.342 3.600 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000630207931 975159583 /nfs/dbraw/zinc/15/95/83/975159583.db2.gz UOKPTWKSXCQTRY-ALYAQQCSSA-N -1 0 321.461 3.695 20 0 DHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C3CCC4(CC4)CC3)ccc12 ZINC000630232594 975179835 /nfs/dbraw/zinc/17/98/35/975179835.db2.gz HHQZIOGYJHUWRZ-UHFFFAOYSA-N -1 0 312.369 3.775 20 0 DHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630268076 975211674 /nfs/dbraw/zinc/21/16/74/975211674.db2.gz VFNWXPHBXDVPBQ-OAHLLOKOSA-N -1 0 321.417 3.722 20 0 DHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)c1 ZINC000630274155 975218521 /nfs/dbraw/zinc/21/85/21/975218521.db2.gz LXBVVPBXJOLRDD-BRWVUGGUSA-N -1 0 317.429 3.699 20 0 DHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000630281900 975226802 /nfs/dbraw/zinc/22/68/02/975226802.db2.gz PGTNEGZWMODEGQ-CGTJXYLNSA-N -1 0 323.392 3.555 20 0 DHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1=CCCCC1 ZINC000630301291 975239713 /nfs/dbraw/zinc/23/97/13/975239713.db2.gz HONKWWPLRFMUMW-ZIAGYGMSSA-N -1 0 307.434 3.520 20 0 DHADRM C/C=C\C[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000630306220 975242081 /nfs/dbraw/zinc/24/20/81/975242081.db2.gz OGENTNPQBMIFPV-YPQKKHBXSA-N -1 0 315.413 3.522 20 0 DHADRM Cc1ccc(C)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327643 975255127 /nfs/dbraw/zinc/25/51/27/975255127.db2.gz PTPUMIVBWKKKMD-DLBZAZTESA-N -1 0 309.365 3.744 20 0 DHADRM Cc1cc(CNC(=O)CC2CCC(C)(C)CC2)oc1C(=O)[O-] ZINC000630332470 975260962 /nfs/dbraw/zinc/26/09/62/975260962.db2.gz ZQSHCLZZDJEKMG-UHFFFAOYSA-N -1 0 307.390 3.509 20 0 DHADRM CC[C@H](C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000649359723 975407483 /nfs/dbraw/zinc/40/74/83/975407483.db2.gz JWZJKKIKDVDLES-JTQLQIEISA-N -1 0 305.399 3.652 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000652067275 975466078 /nfs/dbraw/zinc/46/60/78/975466078.db2.gz RQQHSRCLQHYYIB-LSDHHAIUSA-N -1 0 301.386 3.766 20 0 DHADRM CCN(CCC(F)(F)F)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652405561 975522723 /nfs/dbraw/zinc/52/27/23/975522723.db2.gz RCFDVNPXZZIXBD-UHFFFAOYSA-N -1 0 309.715 3.813 20 0 DHADRM CC(C)CCc1nc(CN(CC(=O)[O-])C2CCCCC2)cs1 ZINC000652482302 975548856 /nfs/dbraw/zinc/54/88/56/975548856.db2.gz VZSHIJYUVFSLNO-UHFFFAOYSA-N -1 0 324.490 3.951 20 0 DHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659118263 975714933 /nfs/dbraw/zinc/71/49/33/975714933.db2.gz FCPREEGYECTHDN-LBPRGKRZSA-N -1 0 315.369 3.727 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000659120023 975717673 /nfs/dbraw/zinc/71/76/73/975717673.db2.gz SKIZTGSCLLHLAT-SECBINFHSA-N -1 0 321.760 3.773 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000659121005 975718605 /nfs/dbraw/zinc/71/86/05/975718605.db2.gz OSWXDPONPJIHOE-UPJWGTAASA-N -1 0 309.431 3.597 20 0 DHADRM O=C([O-])CC1CCN(C(=O)c2cccc(C3CCCC3)c2)CC1 ZINC000659121507 975720232 /nfs/dbraw/zinc/72/02/32/975720232.db2.gz XOOFCLSTMQUWFI-UHFFFAOYSA-N -1 0 315.413 3.671 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000659121416 975720550 /nfs/dbraw/zinc/72/05/50/975720550.db2.gz YHXXTURQORGJAE-UHFFFAOYSA-N -1 0 301.342 3.686 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CC3(C2)CCCCC3)C1 ZINC000659145006 975744213 /nfs/dbraw/zinc/74/42/13/975744213.db2.gz LXJSIGREQTYPNS-OAHLLOKOSA-N -1 0 321.461 3.696 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1CCC2(CC2)CC1 ZINC000659147416 975747786 /nfs/dbraw/zinc/74/77/86/975747786.db2.gz PDNAZFHQFUWIJG-UHFFFAOYSA-N -1 0 301.386 3.911 20 0 DHADRM CC(C)(CCNC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-] ZINC000659155836 975755339 /nfs/dbraw/zinc/75/53/39/975755339.db2.gz BXAHERGZWXHIAR-UHFFFAOYSA-N -1 0 303.402 3.575 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2CCC3(CC3)CC2)cc1 ZINC000659161056 975760180 /nfs/dbraw/zinc/76/01/80/975760180.db2.gz QNSHDXNKCCNJJH-LBPRGKRZSA-N -1 0 301.386 3.784 20 0 DHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000659161007 975760664 /nfs/dbraw/zinc/76/06/64/975760664.db2.gz ALPOFHBSWCSHCR-LBPRGKRZSA-N -1 0 323.389 3.612 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)C(C)C ZINC000659181029 975776177 /nfs/dbraw/zinc/77/61/77/975776177.db2.gz YHAQUXDGKDKWFW-HNNXBMFYSA-N -1 0 319.332 3.552 20 0 DHADRM C[C@H](CC1CCCCC1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659404048 975847650 /nfs/dbraw/zinc/84/76/50/975847650.db2.gz XRMVMGSZONHIJO-CQSZACIVSA-N -1 0 324.465 3.632 20 0 DHADRM CCCCC[C@H]1CCCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000659406617 975848985 /nfs/dbraw/zinc/84/89/85/975848985.db2.gz QJWUTUPVCUTFDM-GPANFISMSA-N -1 0 324.465 3.774 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC001591771836 975900427 /nfs/dbraw/zinc/90/04/27/975900427.db2.gz KZBFXODAXVYHQL-YOEHRIQHSA-N -1 0 321.417 3.788 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H](C)[C@@H]1CCCCO1 ZINC001591772055 975903832 /nfs/dbraw/zinc/90/38/32/975903832.db2.gz YATUYHQGTWITAX-DOMZBBRYSA-N -1 0 307.390 3.542 20 0 DHADRM CC(C)Oc1ccc(COC(=O)c2cscc2C(=O)[O-])cc1 ZINC001591775796 975920746 /nfs/dbraw/zinc/92/07/46/975920746.db2.gz VLVRBQIXLVLRGK-UHFFFAOYSA-N -1 0 320.366 3.591 20 0 DHADRM CC(C)Oc1ccc(NC(=O)C[C@@H]2C=CCCC2)c(C(=O)[O-])c1 ZINC001591781375 975953956 /nfs/dbraw/zinc/95/39/56/975953956.db2.gz YSDFWMRLXOLZCX-CYBMUJFWSA-N -1 0 317.385 3.857 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000668323858 975998920 /nfs/dbraw/zinc/99/89/20/975998920.db2.gz DLGUPWNHLSCSMM-HUUCEWRRSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccc2[nH]c(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2c1 ZINC000675966859 976020766 /nfs/dbraw/zinc/02/07/66/976020766.db2.gz VKHBOINEIQLEQG-UHFFFAOYSA-N -1 0 308.337 3.735 20 0 DHADRM CC[C@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676024842 976029246 /nfs/dbraw/zinc/02/92/46/976029246.db2.gz AGZGZWHUBRKNCL-OAHLLOKOSA-N -1 0 309.450 3.744 20 0 DHADRM C[C@H]1CCCC[C@H]1CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000678974164 976032556 /nfs/dbraw/zinc/03/25/56/976032556.db2.gz URIAWFYOCHSFNS-RDJZCZTQSA-N -1 0 317.429 3.706 20 0 DHADRM C[C@H](CC(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000681680531 976070950 /nfs/dbraw/zinc/07/09/50/976070950.db2.gz LWVMXGGTKZSBPU-LLVKDONJSA-N -1 0 301.317 3.656 20 0 DHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC000682437329 976072320 /nfs/dbraw/zinc/07/23/20/976072320.db2.gz IWHHXHDSXKGCDW-DOTOQJQBSA-N -1 0 315.413 3.881 20 0 DHADRM CC1(C)CCC(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)CC1 ZINC000683299154 976082876 /nfs/dbraw/zinc/08/28/76/976082876.db2.gz SJPOYHCRFXAAEE-ZDUSSCGKSA-N -1 0 323.458 3.987 20 0 DHADRM C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCCCC2 ZINC000683341753 976090961 /nfs/dbraw/zinc/09/09/61/976090961.db2.gz CGOFNDDRFKHUBN-AWEZNQCLSA-N -1 0 309.450 3.696 20 0 DHADRM CC(C)c1[nH]c(CN[C@@H](c2ccccc2)C(F)F)cc1C(=O)[O-] ZINC001591917074 976374493 /nfs/dbraw/zinc/37/44/93/976374493.db2.gz WFTHGBGUZKCHGN-HNNXBMFYSA-N -1 0 322.355 3.932 20 0 DHADRM CC(C)c1cc(Cl)ccc1NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591935109 976449611 /nfs/dbraw/zinc/44/96/11/976449611.db2.gz SBHMGUZFHAZKMX-PWSUYJOCSA-N -1 0 303.736 3.841 20 0 DHADRM CC(C)c1ccc(NC(=O)Cc2ccsc2)c(C(=O)[O-])c1 ZINC001591965017 976554957 /nfs/dbraw/zinc/55/49/57/976554957.db2.gz CEDHTDMWZBDJMW-UHFFFAOYSA-N -1 0 303.383 3.751 20 0 DHADRM CC(C)c1ccc2c(c1)[C@@H](Nc1nccnc1C(=O)[O-])CCC2 ZINC001591981066 976594780 /nfs/dbraw/zinc/59/47/80/976594780.db2.gz LZJVXQAFHWAHFR-HNNXBMFYSA-N -1 0 311.385 3.788 20 0 DHADRM CC(C)c1cnc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 ZINC001592002336 976649447 /nfs/dbraw/zinc/64/94/47/976649447.db2.gz BGNZIVANMIYCDN-UONOGXRCSA-N -1 0 316.426 3.571 20 0 DHADRM CC(C)c1cnc(CN2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC001592002673 976652971 /nfs/dbraw/zinc/65/29/71/976652971.db2.gz BOEJVTCCEAOCCH-UHFFFAOYSA-N -1 0 316.426 3.523 20 0 DHADRM CC(C)c1nc([C@@H](C)NCc2ccccc2CC(=O)[O-])cs1 ZINC001592014662 976693896 /nfs/dbraw/zinc/69/38/96/976693896.db2.gz DIIMIPPWKUBYGL-GFCCVEGCSA-N -1 0 318.442 3.744 20 0 DHADRM CC(C)c1nc(NC(=O)C[C@H]2CCC[C@H]2C)sc1C(=O)[O-] ZINC001592021892 976717526 /nfs/dbraw/zinc/71/75/26/976717526.db2.gz IMCRIRUZMJCSBN-NXEZZACHSA-N -1 0 310.419 3.730 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC001592112210 976906031 /nfs/dbraw/zinc/90/60/31/976906031.db2.gz YKZZGKHHRYODQI-NXEZZACHSA-N -1 0 310.419 3.730 20 0 DHADRM Cc1ccc(Cl)c(S(=O)(=O)NCC2CCCC2)c1Cl ZINC000614606984 1014362103 /nfs/dbraw/zinc/36/21/03/1014362103.db2.gz RJWQKPYSGUPZAL-UHFFFAOYSA-N -1 0 322.257 3.770 20 0 DHADRM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592178638 977085314 /nfs/dbraw/zinc/08/53/14/977085314.db2.gz QQGJMAKMCULVAE-NSHDSACASA-N -1 0 312.369 3.800 20 0 DHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592180408 977091703 /nfs/dbraw/zinc/09/17/03/977091703.db2.gz AXSYPWLBUWIJHJ-LLVKDONJSA-N -1 0 322.380 3.956 20 0 DHADRM Cc1cccc(C2=CCN(C(=O)c3cccc(F)c3[O-])CC2)c1 ZINC001266661287 1014398257 /nfs/dbraw/zinc/39/82/57/1014398257.db2.gz MPBMOOFFRCDCDJ-UHFFFAOYSA-N -1 0 311.356 3.769 20 0 DHADRM C[C@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])C1CCCCC1 ZINC001592255131 977494238 /nfs/dbraw/zinc/49/42/38/977494238.db2.gz YXFYZSUPXISZMV-PBHICJAKSA-N -1 0 323.477 3.990 20 0 DHADRM C[C@H](CC(=O)Nc1c(F)cccc1C(=O)[O-])c1ccccc1F ZINC001592262085 977506170 /nfs/dbraw/zinc/50/61/70/977506170.db2.gz OATRHZIAAYLNAL-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM C[C@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)n1cccc1 ZINC001592262554 977509307 /nfs/dbraw/zinc/50/93/07/977509307.db2.gz WCZMAXAWOYETTE-SECBINFHSA-N -1 0 324.739 3.569 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C1CCCCC1 ZINC001592270379 977535122 /nfs/dbraw/zinc/53/51/22/977535122.db2.gz PTDYFNKDVOWPMB-GFCCVEGCSA-N -1 0 321.392 3.998 20 0 DHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC001592341764 977791079 /nfs/dbraw/zinc/79/10/79/977791079.db2.gz COOASSSGEFAHKS-PBHICJAKSA-N -1 0 317.429 3.974 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001592381794 977921594 /nfs/dbraw/zinc/92/15/94/977921594.db2.gz PWIVBBWMELMBMJ-NXNVCVFFSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001592381991 977922180 /nfs/dbraw/zinc/92/21/80/977922180.db2.gz SVAZSFQLRXYCMT-UAGQMJEPSA-N -1 0 317.429 3.720 20 0 DHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC001592382013 977922356 /nfs/dbraw/zinc/92/23/56/977922356.db2.gz UQEQIFFDISSMQD-BZNIZROVSA-N -1 0 309.381 3.530 20 0 DHADRM C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC001592428341 978049426 /nfs/dbraw/zinc/04/94/26/978049426.db2.gz BBGOLFVFAMOIBK-JHJVBQTASA-N -1 0 308.349 3.506 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@H](c1nccs1)C(F)(F)F ZINC001592443714 978098929 /nfs/dbraw/zinc/09/89/29/978098929.db2.gz CQCNIYDNCQTINS-WCBMZHEXSA-N -1 0 324.368 3.616 20 0 DHADRM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592444238 978101918 /nfs/dbraw/zinc/10/19/18/978101918.db2.gz LZPVMQKUBCUDJX-SNVBAGLBSA-N -1 0 317.389 3.812 20 0 DHADRM C[C@@H](OC(=O)[C@@H](C)CC1CCCCC1)c1nc(C(=O)[O-])co1 ZINC001592465296 978205762 /nfs/dbraw/zinc/20/57/62/978205762.db2.gz CXYBEGBHDKIGBR-WDEREUQCSA-N -1 0 309.362 3.584 20 0 DHADRM C[C@H](CCC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001592470128 978217859 /nfs/dbraw/zinc/21/78/59/978217859.db2.gz DFGOSTZFGWUWTI-OAHLLOKOSA-N -1 0 317.429 3.816 20 0 DHADRM C[C@@H](CCC1CCCCC1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001592476941 978238920 /nfs/dbraw/zinc/23/89/20/978238920.db2.gz DXGFJGMSVGYKJM-AWEZNQCLSA-N -1 0 317.429 3.793 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)c(Cl)c1 ZINC000724849663 978244842 /nfs/dbraw/zinc/24/48/42/978244842.db2.gz XGCNLHYBMRNLJZ-UHFFFAOYSA-N -1 0 314.168 3.917 20 0 DHADRM C[C@@H](CCC(C)(C)C)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001592477967 978248630 /nfs/dbraw/zinc/24/86/30/978248630.db2.gz PTFUMXCNNGRTON-HNNXBMFYSA-N -1 0 319.445 3.605 20 0 DHADRM CC(C)n1ccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000736531882 978340896 /nfs/dbraw/zinc/34/08/96/978340896.db2.gz LGUPFMKVXLBBCP-UHFFFAOYSA-N -1 0 324.336 3.535 20 0 DHADRM C[C@@H](CCN(C)c1ccccc1C(=O)[O-])OCc1ccccc1 ZINC001592513317 978344872 /nfs/dbraw/zinc/34/48/72/978344872.db2.gz DKEDUCHTSCXTPK-HNNXBMFYSA-N -1 0 313.397 3.816 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccsc1)c1ccccc1 ZINC000736850554 978362836 /nfs/dbraw/zinc/36/28/36/978362836.db2.gz WYTDHXOUKJBRGS-SWLSCSKDSA-N -1 0 317.410 3.748 20 0 DHADRM C[C@@H](CCO)S[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592529790 978390367 /nfs/dbraw/zinc/39/03/67/978390367.db2.gz VGDMXBGHBBJLNI-CPCISQLKSA-N -1 0 309.214 3.623 20 0 DHADRM C[C@@H](CCc1ccccc1)OC(=O)c1cscc1C(=O)[O-] ZINC001592546715 978433620 /nfs/dbraw/zinc/43/36/20/978433620.db2.gz YASOLNOMYDEOCQ-NSHDSACASA-N -1 0 304.367 3.624 20 0 DHADRM Cc1cc(NC(=S)N[C@H]2CCCC[C@H]2C)sc1C(=O)[O-] ZINC000738452149 978540250 /nfs/dbraw/zinc/54/02/50/978540250.db2.gz JSRMIBDGSZHHHL-SCZZXKLOSA-N -1 0 312.460 3.620 20 0 DHADRM Cc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1F ZINC000738627704 978576314 /nfs/dbraw/zinc/57/63/14/978576314.db2.gz KALSJIRVILYOIL-UHFFFAOYSA-N -1 0 304.346 3.641 20 0 DHADRM Cc1ccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)[nH]c2c1 ZINC000746355740 978682806 /nfs/dbraw/zinc/68/28/06/978682806.db2.gz DXUHEFGJJDUZJC-UHFFFAOYSA-N -1 0 312.300 3.566 20 0 DHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000746691321 978685537 /nfs/dbraw/zinc/68/55/37/978685537.db2.gz WCJITZVIEYRQFI-LBPRGKRZSA-N -1 0 316.401 3.617 20 0 DHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000761479889 978711317 /nfs/dbraw/zinc/71/13/17/978711317.db2.gz XIWJUTFZXYTTCB-UHFFFAOYSA-N -1 0 305.418 3.838 20 0 DHADRM CN(C(=O)C=C1CCC(C)(C)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000761629881 978712475 /nfs/dbraw/zinc/71/24/75/978712475.db2.gz PLCPAXLOQKLTCR-KRWDZBQOSA-N -1 0 315.413 3.797 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c1ccccc1Cl ZINC000761649015 978713625 /nfs/dbraw/zinc/71/36/25/978713625.db2.gz IPYYIIZJCCYRNY-HGPCXVNDSA-N -1 0 309.793 3.503 20 0 DHADRM Cc1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c(C)c1 ZINC000766843469 978726600 /nfs/dbraw/zinc/72/66/00/978726600.db2.gz JQTITTQKOAJACF-UHFFFAOYSA-N -1 0 323.392 3.524 20 0 DHADRM CC/C(=C\C(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccc(C)cc1 ZINC000767056804 978732580 /nfs/dbraw/zinc/73/25/80/978732580.db2.gz YLUKYHMALXIVTF-BJRSVTDJSA-N -1 0 303.402 3.548 20 0 DHADRM C/C(=C\C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000767202548 978736598 /nfs/dbraw/zinc/73/65/98/978736598.db2.gz UOJGSZUHNQCQNL-XYOKQWHBSA-N -1 0 313.328 3.874 20 0 DHADRM C/C(=C\C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000777382256 978779354 /nfs/dbraw/zinc/77/93/54/978779354.db2.gz KGFXEQMHOUEFTC-NTCAYCPXSA-N -1 0 315.413 3.631 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2cc(F)ccc2c1C ZINC000808508777 978851598 /nfs/dbraw/zinc/85/15/98/978851598.db2.gz IQUSKTYFKKFFEE-INIZCTEOSA-N -1 0 323.389 3.722 20 0 DHADRM CCCC[C@H](CC)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811811907 978855811 /nfs/dbraw/zinc/85/58/11/978855811.db2.gz IBBKCXKCBRKBLW-NSHDSACASA-N -1 0 311.809 3.984 20 0 DHADRM CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCCCC1 ZINC000811812597 978855911 /nfs/dbraw/zinc/85/59/11/978855911.db2.gz SXUHLYVCAMVRKI-UHFFFAOYSA-N -1 0 309.793 3.833 20 0 DHADRM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811811973 978856046 /nfs/dbraw/zinc/85/60/46/978856046.db2.gz KTDRTIGHDPIMFF-SNVBAGLBSA-N -1 0 315.756 3.630 20 0 DHADRM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814092 978856786 /nfs/dbraw/zinc/85/67/86/978856786.db2.gz CSKWAUJLGKKKTO-UWVGGRQHSA-N -1 0 309.793 3.593 20 0 DHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCCC1 ZINC000811816226 978860152 /nfs/dbraw/zinc/86/01/52/978860152.db2.gz PMNIECRAGVWIGQ-UHFFFAOYSA-N -1 0 309.793 3.831 20 0 DHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811819770 978863909 /nfs/dbraw/zinc/86/39/09/978863909.db2.gz WHLJXMHVQFSWFM-GHMZBOCLSA-N -1 0 309.793 3.689 20 0 DHADRM CC1(C)CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000811821967 978866743 /nfs/dbraw/zinc/86/67/43/978866743.db2.gz XBBLORLVXLYDND-UHFFFAOYSA-N -1 0 309.793 3.691 20 0 DHADRM C[C@](CC(=O)[O-])(NC(=O)C=C1CCCCC1)c1cccc(F)c1 ZINC000823340997 978932328 /nfs/dbraw/zinc/93/23/28/978932328.db2.gz HUNHSCCGGBFCGB-GOSISDBHSA-N -1 0 319.376 3.522 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc(C(C)C)cc1 ZINC000828652960 978986600 /nfs/dbraw/zinc/98/66/00/978986600.db2.gz VQFQKNCDDJFJDM-INIZCTEOSA-N -1 0 308.447 3.740 20 0 DHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000830810982 979021570 /nfs/dbraw/zinc/02/15/70/979021570.db2.gz IQDGMKVOAAZQRS-UHFFFAOYSA-N -1 0 324.336 3.795 20 0 DHADRM CC[C@H](C)n1nc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001595023839 979119643 /nfs/dbraw/zinc/11/96/43/979119643.db2.gz KWMJITOUZOCTQL-ZUZCIYMTSA-N -1 0 305.353 3.539 20 0 DHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC001595027464 979143666 /nfs/dbraw/zinc/14/36/66/979143666.db2.gz WEDKPXBVQGBMOT-MRVPVSSYSA-N -1 0 322.390 3.566 20 0 DHADRM CC[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001595029821 979161451 /nfs/dbraw/zinc/16/14/51/979161451.db2.gz GXPGJHOTPLTTRP-HNNXBMFYSA-N -1 0 317.429 3.816 20 0 DHADRM CC[C@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])C(C)(C)C ZINC001595033659 979177731 /nfs/dbraw/zinc/17/77/31/979177731.db2.gz OVGUIFPJDMZWRS-HUUCEWRRSA-N -1 0 311.466 3.846 20 0 DHADRM CC(C)(C(=O)OCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000833419865 979182610 /nfs/dbraw/zinc/18/26/10/979182610.db2.gz YRTPSJFOBOPRFT-UHFFFAOYSA-N -1 0 316.328 3.545 20 0 DHADRM CC[C@H](CC(C)C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595036316 979193648 /nfs/dbraw/zinc/19/36/48/979193648.db2.gz RYZPPUXLSQQVQK-GFCCVEGCSA-N -1 0 318.373 3.887 20 0 DHADRM CC[C@H](CC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595036413 979195273 /nfs/dbraw/zinc/19/52/73/979195273.db2.gz DTAFYHDXCAZDGR-CYBMUJFWSA-N -1 0 312.369 3.611 20 0 DHADRM CC[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595037283 979205101 /nfs/dbraw/zinc/20/51/01/979205101.db2.gz XEXXJZBUQRVOSB-LBPRGKRZSA-N -1 0 308.374 3.761 20 0 DHADRM CC[C@@H](CC(F)(F)F)C(=O)Oc1cc(C(=O)[O-])ccc1C ZINC001595038049 979207055 /nfs/dbraw/zinc/20/70/55/979207055.db2.gz CAYGYLCJZPAXHW-VIFPVBQESA-N -1 0 304.264 3.577 20 0 DHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595039030 979211846 /nfs/dbraw/zinc/21/18/46/979211846.db2.gz MVSKECSDTNMAHY-SSDOTTSWSA-N -1 0 323.698 3.955 20 0 DHADRM CC[C@@H](CC(F)F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595042325 979233375 /nfs/dbraw/zinc/23/33/75/979233375.db2.gz KBGQDSKRCZWUJM-QPUJVOFHSA-N -1 0 320.719 3.690 20 0 DHADRM CC(C)c1ccc(O[C@@H](C)CNc2cccc(C(=O)[O-])n2)cc1 ZINC001592728943 979239962 /nfs/dbraw/zinc/23/99/62/979239962.db2.gz HYPLUONZOIDJQE-ZDUSSCGKSA-N -1 0 314.385 3.783 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000836740708 979250595 /nfs/dbraw/zinc/25/05/95/979250595.db2.gz ATZPAGOGBYIGBV-UHFFFAOYSA-N -1 0 311.381 3.714 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2occc2c1 ZINC001595050289 979278100 /nfs/dbraw/zinc/27/81/00/979278100.db2.gz OSMYHWIIQJBBAQ-UHFFFAOYSA-N -1 0 304.346 3.588 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1c(C)cccc1SC ZINC001595050697 979279627 /nfs/dbraw/zinc/27/96/27/979279627.db2.gz ATMNSDPOGIEGGW-UHFFFAOYSA-N -1 0 324.446 3.872 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1SC ZINC001595050799 979280432 /nfs/dbraw/zinc/28/04/32/979280432.db2.gz ZAGOOVPTPOHPHD-UHFFFAOYSA-N -1 0 310.419 3.564 20 0 DHADRM CCc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000840943561 979281110 /nfs/dbraw/zinc/28/11/10/979281110.db2.gz DWKVJPBZSYCRML-SNVBAGLBSA-N -1 0 303.383 3.751 20 0 DHADRM CC[C@@](CNC(=O)/C=C(/C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC000840946966 979286269 /nfs/dbraw/zinc/28/62/69/979286269.db2.gz IGAFVXRBYBLQEP-IFMUVIIVSA-N -1 0 317.429 3.528 20 0 DHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1coc2ccc(Cl)cc21 ZINC001595053841 979290368 /nfs/dbraw/zinc/29/03/68/979290368.db2.gz DHNUCVLVOXBUFQ-UHFFFAOYSA-N -1 0 323.776 3.850 20 0 DHADRM CCC(CC)(CC)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595057666 979301047 /nfs/dbraw/zinc/30/10/47/979301047.db2.gz BJFCZWIWQYLXPM-GDBMZVCRSA-N -1 0 319.445 3.651 20 0 DHADRM CCC(CC)(CCOC(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC001595059555 979307255 /nfs/dbraw/zinc/30/72/55/979307255.db2.gz FSOGHHLREMPRBP-UHFFFAOYSA-N -1 0 318.291 3.542 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001595075284 979348659 /nfs/dbraw/zinc/34/86/59/979348659.db2.gz WPOBQUADYAETAS-UHFFFAOYSA-N -1 0 319.445 3.995 20 0 DHADRM Cc1sc(NCC[C@@]2(C)CC2(Cl)Cl)nc1C(=O)[O-] ZINC000844216341 979378720 /nfs/dbraw/zinc/37/87/20/979378720.db2.gz OJGITGRCEQWVLF-JTQLQIEISA-N -1 0 309.218 3.536 20 0 DHADRM CCC(CC)(NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001595090497 979381882 /nfs/dbraw/zinc/38/18/82/979381882.db2.gz BLVWFEPITCGWJP-UHFFFAOYSA-N -1 0 311.466 3.989 20 0 DHADRM Cc1oc(CN(C)C(=O)/C=C/C2CCCCCC2)cc1C(=O)[O-] ZINC000846114069 979404760 /nfs/dbraw/zinc/40/47/60/979404760.db2.gz GCWJGPWBQIDXSY-MDZDMXLPSA-N -1 0 319.401 3.771 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C\C2CCCCCC2)C1 ZINC000846118019 979406708 /nfs/dbraw/zinc/40/67/08/979406708.db2.gz IPWZMVZWCJBZJL-SLWQEBJJSA-N -1 0 307.434 3.616 20 0 DHADRM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/C2CCCCCC2)C1 ZINC000846118018 979406758 /nfs/dbraw/zinc/40/67/58/979406758.db2.gz IPWZMVZWCJBZJL-PXUDHTSWSA-N -1 0 307.434 3.616 20 0 DHADRM CCC(CC)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595105204 979420465 /nfs/dbraw/zinc/42/04/65/979420465.db2.gz DTVOOVRDNLDFBB-CQSZACIVSA-N -1 0 319.445 3.951 20 0 DHADRM CCC(CC)[C@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595105470 979423296 /nfs/dbraw/zinc/42/32/96/979423296.db2.gz AIHSGCVRSQFURG-OLZOCXBDSA-N -1 0 305.418 3.961 20 0 DHADRM CCC(CC)CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595110085 979451688 /nfs/dbraw/zinc/45/16/88/979451688.db2.gz XFTZLQUNKBIQAI-GOSISDBHSA-N -1 0 313.397 3.908 20 0 DHADRM CCC(CC)CN(CC)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595111735 979459711 /nfs/dbraw/zinc/45/97/11/979459711.db2.gz RVUPTYIRXGQSOJ-QFBILLFUSA-N -1 0 317.429 3.530 20 0 DHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1csc2ccccc21 ZINC000848875083 979479467 /nfs/dbraw/zinc/47/94/67/979479467.db2.gz MWQVSXLPNCTNCH-WDEREUQCSA-N -1 0 305.399 3.579 20 0 DHADRM CCC(CC)Oc1ccc(C(=O)N(CC(=O)[O-])[C@H](C)CC)cc1 ZINC001595121132 979486484 /nfs/dbraw/zinc/48/64/84/979486484.db2.gz DEXPVWKPNPYVPQ-CYBMUJFWSA-N -1 0 321.417 3.579 20 0 DHADRM CCC1(C(=O)NCCCCCCC(=O)[O-])CCC(F)(F)CC1 ZINC000851597850 979515097 /nfs/dbraw/zinc/51/50/97/979515097.db2.gz BNSBOBHGIUSSCE-UHFFFAOYSA-N -1 0 319.392 3.743 20 0 DHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595126236 979515836 /nfs/dbraw/zinc/51/58/36/979515836.db2.gz SRBMXCRQGSYFRD-ZDUSSCGKSA-N -1 0 319.401 3.938 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)C1CC2(C1)CCCCC2 ZINC000851601695 979521806 /nfs/dbraw/zinc/52/18/06/979521806.db2.gz WBQSPDOXPDYBIB-UHFFFAOYSA-N -1 0 309.450 3.888 20 0 DHADRM CC(C)[C@@H]1C[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CS1 ZINC000859819897 979652937 /nfs/dbraw/zinc/65/29/37/979652937.db2.gz JCNHXQHRLLQFAG-ABAIWWIYSA-N -1 0 304.415 3.808 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)C2CCC2)cc1)C(=O)[O-] ZINC001592857810 979667117 /nfs/dbraw/zinc/66/71/17/979667117.db2.gz MUKPSDJUNFXMSD-GFCCVEGCSA-N -1 0 303.402 3.715 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)[C@]2(C)CCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858336 979670870 /nfs/dbraw/zinc/67/08/70/979670870.db2.gz PCMHALAYEKWAGW-FHSNZYRGSA-N -1 0 303.402 3.715 20 0 DHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000864103118 979687679 /nfs/dbraw/zinc/68/76/79/979687679.db2.gz BJPWCQCSLAPQGH-QGZVFWFLSA-N -1 0 309.365 3.574 20 0 DHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000864102836 979687895 /nfs/dbraw/zinc/68/78/95/979687895.db2.gz ASALXCROWPHTQO-QWGSZXSUSA-N -1 0 317.385 3.562 20 0 DHADRM O=C([O-])c1coc(/C=C/C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000864105206 979692209 /nfs/dbraw/zinc/69/22/09/979692209.db2.gz OSECPZYTRBOXRV-CMDGGOBGSA-N -1 0 317.385 3.562 20 0 DHADRM Cc1ccc(C(=O)N(C2CC2)C2CCCCC2)cc1C(=O)[O-] ZINC000864106358 979694236 /nfs/dbraw/zinc/69/42/36/979694236.db2.gz KECOJBMTNGPTJI-UHFFFAOYSA-N -1 0 301.386 3.631 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592861535 979699162 /nfs/dbraw/zinc/69/91/62/979699162.db2.gz SXKQWLXILAZCOR-CZUORRHYSA-N -1 0 318.417 3.602 20 0 DHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592867956 979717120 /nfs/dbraw/zinc/71/71/20/979717120.db2.gz SWTWKQAJHCUZJU-CDHAZOANSA-N -1 0 318.417 3.506 20 0 DHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000864134879 979736617 /nfs/dbraw/zinc/73/66/17/979736617.db2.gz DZXCCYSMPACIQD-ZWKOTPCHSA-N -1 0 323.392 3.754 20 0 DHADRM C[C@@H](Cc1ccc(NC(=S)Nc2ccsc2)cc1)C(=O)[O-] ZINC001592877772 979746381 /nfs/dbraw/zinc/74/63/81/979746381.db2.gz PZRXHFXKDGAFBR-JTQLQIEISA-N -1 0 320.439 3.820 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864165108 979787782 /nfs/dbraw/zinc/78/77/82/979787782.db2.gz AQHWOJRZWFQYLJ-IDOMTICXSA-N -1 0 313.397 3.503 20 0 DHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000864179250 979825472 /nfs/dbraw/zinc/82/54/72/979825472.db2.gz SBXIEIMFFWLMOE-KBPBESRZSA-N -1 0 319.401 3.613 20 0 DHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592903269 979835147 /nfs/dbraw/zinc/83/51/47/979835147.db2.gz ZXLSEXNDUJPQDE-ZDUSSCGKSA-N -1 0 323.458 3.563 20 0 DHADRM CC(C)[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000864200288 979875797 /nfs/dbraw/zinc/87/57/97/979875797.db2.gz VGUJEUFNQOIAQN-LPHOPBHVSA-N -1 0 317.429 3.576 20 0 DHADRM C[C@@H](Cc1nc(-c2cc(C(=O)[O-])co2)no1)c1cccc(F)c1 ZINC001592912736 979880764 /nfs/dbraw/zinc/88/07/64/979880764.db2.gz MHUNGOBCIASLRZ-VIFPVBQESA-N -1 0 316.288 3.513 20 0 DHADRM C[C@H](Cc1noc(Cc2ccccc2C(=O)[O-])n1)c1ccccc1 ZINC001592913142 979886032 /nfs/dbraw/zinc/88/60/32/979886032.db2.gz WXHDGSMORIHDNM-CYBMUJFWSA-N -1 0 322.364 3.705 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(C3CC3)cc2F)CC2(CCC2)C1 ZINC000864222368 979909123 /nfs/dbraw/zinc/90/91/23/979909123.db2.gz OQVRVVJXGRGJML-UHFFFAOYSA-N -1 0 317.360 3.677 20 0 DHADRM CC1=CC[C@](C)(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000864226433 979912883 /nfs/dbraw/zinc/91/28/83/979912883.db2.gz FBJDULHPHCGHDT-KUHUBIRLSA-N -1 0 313.397 3.728 20 0 DHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(C)s1 ZINC000864227897 979917679 /nfs/dbraw/zinc/91/76/79/979917679.db2.gz HXNCDXIVNRPAKS-HNNXBMFYSA-N -1 0 317.410 3.619 20 0 DHADRM Cc1cc(CNCc2nc(C(C)(C)C)cs2)ccc1C(=O)[O-] ZINC000864515780 979942950 /nfs/dbraw/zinc/94/29/50/979942950.db2.gz DEISXAUCOWHKJK-UHFFFAOYSA-N -1 0 318.442 3.737 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(C3(O)CCC3)cc2)s1 ZINC000864612534 979950095 /nfs/dbraw/zinc/95/00/95/979950095.db2.gz QUECODKJVIUFPR-LLVKDONJSA-N -1 0 302.395 3.975 20 0 DHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000066041588 1014617145 /nfs/dbraw/zinc/61/71/45/1014617145.db2.gz AQSZEVGMJCMCHO-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595210493 979984369 /nfs/dbraw/zinc/98/43/69/979984369.db2.gz HLAZEOVAAVJRRK-ZDUSSCGKSA-N -1 0 317.410 3.962 20 0 DHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595210938 979986464 /nfs/dbraw/zinc/98/64/64/979986464.db2.gz MUBRVFVAZZGYSV-ZFWWWQNUSA-N -1 0 318.394 3.686 20 0 DHADRM CC(F)(F)c1ccc(C(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC001592944403 980021825 /nfs/dbraw/zinc/02/18/25/980021825.db2.gz NNGJRHOOUKRJKB-UHFFFAOYSA-N -1 0 306.264 3.716 20 0 DHADRM CC[C@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC001595217247 980023114 /nfs/dbraw/zinc/02/31/14/980023114.db2.gz VWCOOPDETJULSQ-GFCCVEGCSA-N -1 0 318.373 3.572 20 0 DHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595217975 980030049 /nfs/dbraw/zinc/03/00/49/980030049.db2.gz GARSHRQRUJHXCH-GFCCVEGCSA-N -1 0 317.410 3.962 20 0 DHADRM Cc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1C(=O)[O-] ZINC000872158760 980041554 /nfs/dbraw/zinc/04/15/54/980041554.db2.gz IAFCENOEZWSPDV-UHFFFAOYSA-N -1 0 315.335 3.858 20 0 DHADRM CCC(F)(F)c1ccccc1NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595226681 980077694 /nfs/dbraw/zinc/07/76/94/980077694.db2.gz VJRUKODLIHDJOK-ONGXEEELSA-N -1 0 305.271 3.566 20 0 DHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@H]1CC1(C)C ZINC001595252945 980225175 /nfs/dbraw/zinc/22/51/75/980225175.db2.gz SJZFTPKLPPDVGQ-CHWSQXEVSA-N -1 0 304.390 3.639 20 0 DHADRM CC[C@H](NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)[C@H]1CC1(C)C ZINC001595256382 980236927 /nfs/dbraw/zinc/23/69/27/980236927.db2.gz BLLXSZBDMUJZEH-GLQYFDAESA-N -1 0 318.417 3.821 20 0 DHADRM CSCc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000900039809 980238770 /nfs/dbraw/zinc/23/87/70/980238770.db2.gz DDFRVEZVOKGHOV-JTQLQIEISA-N -1 0 322.455 3.555 20 0 DHADRM CCc1[nH]nc(Cl)c1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000900036720 980239038 /nfs/dbraw/zinc/23/90/38/980239038.db2.gz BOJRYRCPEFUIEF-JTQLQIEISA-N -1 0 321.808 3.501 20 0 DHADRM CC[C@@](NC(=O)O[C@@H](C)CC(C)C)(C(=O)[O-])c1ccccc1 ZINC001595258473 980255567 /nfs/dbraw/zinc/25/55/67/980255567.db2.gz QJRMBOIFJHNVKO-GUYCJALGSA-N -1 0 307.390 3.537 20 0 DHADRM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cc(F)ccc1F ZINC001595277458 980306526 /nfs/dbraw/zinc/30/65/26/980306526.db2.gz VFEGRNIUCQFKMO-JKSUJKDBSA-N -1 0 323.314 3.971 20 0 DHADRM CC[C@@H](N[C@H](C)c1nc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595281384 980333244 /nfs/dbraw/zinc/33/32/44/980333244.db2.gz NHQWLSIZCPLVTE-ZWNOBZJWSA-N -1 0 306.337 3.622 20 0 DHADRM CC[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595281382 980333658 /nfs/dbraw/zinc/33/36/58/980333658.db2.gz NHQWLSIZCPLVTE-GXFFZTMASA-N -1 0 306.337 3.622 20 0 DHADRM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000901517640 980335811 /nfs/dbraw/zinc/33/58/11/980335811.db2.gz UDVJZMRYWUNLMS-MRXNPFEDSA-N -1 0 323.751 3.599 20 0 DHADRM CC[C@@](NCc1ccc(SC)s1)(C(=O)[O-])c1ccccc1 ZINC000901652411 980429950 /nfs/dbraw/zinc/42/99/50/980429950.db2.gz RNWTZQFKMJUYOM-INIZCTEOSA-N -1 0 321.467 3.950 20 0 DHADRM CC[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595301070 980436979 /nfs/dbraw/zinc/43/69/79/980436979.db2.gz WBTGOMZQTNBQQA-IQIBNGDESA-N -1 0 321.323 3.897 20 0 DHADRM C[C@@H](Cc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC000901737111 980471253 /nfs/dbraw/zinc/47/12/53/980471253.db2.gz XXUSULPJQURWRY-ONGXEEELSA-N -1 0 302.201 3.556 20 0 DHADRM CC[C@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC001595317822 980496660 /nfs/dbraw/zinc/49/66/60/980496660.db2.gz BFVPWUFMRGLJGN-INIZCTEOSA-N -1 0 303.333 3.680 20 0 DHADRM CC[C@@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001595319102 980505463 /nfs/dbraw/zinc/50/54/63/980505463.db2.gz YULHZOXYMIINBA-MRXNPFEDSA-N -1 0 302.418 3.976 20 0 DHADRM COc1cc(C)c(CNc2cccc([C@H](C)C(=O)[O-])c2)c(C)n1 ZINC000901817961 980537688 /nfs/dbraw/zinc/53/76/88/980537688.db2.gz UQEGATQGBSUXSP-LBPRGKRZSA-N -1 0 314.385 3.507 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@@H]2CCOc3ccccc32)c1 ZINC000901818527 980538397 /nfs/dbraw/zinc/53/83/97/980538397.db2.gz XXSVLWMFOPPLJS-ZFWWWQNUSA-N -1 0 311.381 3.853 20 0 DHADRM CC[C@@H](OC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595335857 980590192 /nfs/dbraw/zinc/59/01/92/980590192.db2.gz GJCYAZFOFPOLMN-JLVNDZCYSA-N -1 0 316.275 3.515 20 0 DHADRM CC[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccccc1 ZINC001595337806 980602036 /nfs/dbraw/zinc/60/20/36/980602036.db2.gz SYAIBKFKFRIKQT-UWVAXJGDSA-N -1 0 324.376 3.939 20 0 DHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC001595346227 980635062 /nfs/dbraw/zinc/63/50/62/980635062.db2.gz ZINHONUJQLAWHJ-VIFPVBQESA-N -1 0 310.655 3.536 20 0 DHADRM CSc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)o1 ZINC000901943697 980643657 /nfs/dbraw/zinc/64/36/57/980643657.db2.gz CTFGPHGRJLVRMY-UONOGXRCSA-N -1 0 303.383 3.802 20 0 DHADRM C[C@H]1CCN(Cc2cnc(-c3cccs3)s2)[C@H](C(=O)[O-])C1 ZINC000902011294 980689951 /nfs/dbraw/zinc/68/99/51/980689951.db2.gz ILTDCJFSHCLOOW-JQWIXIFHSA-N -1 0 322.455 3.557 20 0 DHADRM O=C([O-])[C@H]1CCCCCN1Cc1ccc(C(F)(F)F)s1 ZINC000902032969 980704914 /nfs/dbraw/zinc/70/49/14/980704914.db2.gz CTRJSCREBXWXEY-SNVBAGLBSA-N -1 0 307.337 3.596 20 0 DHADRM CCCOc1ccccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000902065271 980718009 /nfs/dbraw/zinc/71/80/09/980718009.db2.gz KPLKUSJNLWYOAO-UHFFFAOYSA-N -1 0 315.369 3.551 20 0 DHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000902073095 980721456 /nfs/dbraw/zinc/72/14/56/980721456.db2.gz WOKVIVMWOXLVQL-ZDUSSCGKSA-N -1 0 318.417 3.505 20 0 DHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595359242 980739559 /nfs/dbraw/zinc/73/95/59/980739559.db2.gz UOEGJXLWOZRMQL-ZDUSSCGKSA-N -1 0 318.398 3.531 20 0 DHADRM C[C@H](Nc1cccc(COCc2ccco2)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902119142 980744049 /nfs/dbraw/zinc/74/40/49/980744049.db2.gz QZKLMUBYONFVCH-AFAVFJNCSA-N -1 0 315.369 3.518 20 0 DHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(-c2csnn2)cc1 ZINC000902123737 980745769 /nfs/dbraw/zinc/74/57/69/980745769.db2.gz MMVSBKGQFCLIMD-QKCSRTOESA-N -1 0 317.414 3.506 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cscc1C ZINC001595360925 980757087 /nfs/dbraw/zinc/75/70/87/980757087.db2.gz QAOIYGLGHMFONU-HNNXBMFYSA-N -1 0 317.410 3.735 20 0 DHADRM O=C([O-])c1coc(CN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000902148602 980758417 /nfs/dbraw/zinc/75/84/17/980758417.db2.gz QCWVCSXEQNWYNX-UHFFFAOYSA-N -1 0 315.344 3.796 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H]1C=CCCC1 ZINC001595361222 980760067 /nfs/dbraw/zinc/76/00/67/980760067.db2.gz FIPMQXIJZQETPA-WBVHZDCISA-N -1 0 315.413 3.797 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N(C)C1CCCC1 ZINC001595361798 980765234 /nfs/dbraw/zinc/76/52/34/980765234.db2.gz PDQAUQGTTDWPEM-INIZCTEOSA-N -1 0 318.417 3.519 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(C)c(C)o1 ZINC001595362008 980767193 /nfs/dbraw/zinc/76/71/93/980767193.db2.gz UBWTWXHAMUCRKE-HNNXBMFYSA-N -1 0 315.369 3.575 20 0 DHADRM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000902175499 980769110 /nfs/dbraw/zinc/76/91/10/980769110.db2.gz GRAKXOHKASPDHM-ZDUSSCGKSA-N -1 0 321.760 3.553 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccnn1C(C)C ZINC001595362346 980770142 /nfs/dbraw/zinc/77/01/42/980770142.db2.gz BJWYGIJUDSOYHD-KRWDZBQOSA-N -1 0 315.417 3.502 20 0 DHADRM CCC(=O)Nc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000902193009 980777081 /nfs/dbraw/zinc/77/70/81/980777081.db2.gz QVKHNPMRVYGDQD-UHFFFAOYSA-N -1 0 316.357 3.501 20 0 DHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cnn(C(C)C)c1 ZINC001595363203 980778754 /nfs/dbraw/zinc/77/87/54/980778754.db2.gz XZMORYMNOPGJQP-QGZVFWFLSA-N -1 0 315.417 3.502 20 0 DHADRM COc1ccc(OC(C)C)c(NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902220643 980787855 /nfs/dbraw/zinc/78/78/55/980787855.db2.gz GOYRRVXWSYWDJM-UHFFFAOYSA-N -1 0 319.357 3.694 20 0 DHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595364660 980795889 /nfs/dbraw/zinc/79/58/89/980795889.db2.gz UUSIDBRWUJUBIM-HNNXBMFYSA-N -1 0 320.433 3.670 20 0 DHADRM CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC001595367867 980820442 /nfs/dbraw/zinc/82/04/42/980820442.db2.gz HNHNYQTVGCJDRI-UHFFFAOYSA-N -1 0 311.328 3.962 20 0 DHADRM Cc1cc(CNC2(c3cccc(Cl)c3)CC2)oc1C(=O)[O-] ZINC000902294415 980821235 /nfs/dbraw/zinc/82/12/35/980821235.db2.gz FWBIRYMWCSFVRO-UHFFFAOYSA-N -1 0 305.761 3.719 20 0 DHADRM CSCCc1ccccc1NCc1csc(C(=O)[O-])c1 ZINC000902336287 980837112 /nfs/dbraw/zinc/83/71/12/980837112.db2.gz LJCVESPZQFKXQP-UHFFFAOYSA-N -1 0 307.440 3.964 20 0 DHADRM O=C([O-])c1ccccc1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC000902378426 980861855 /nfs/dbraw/zinc/86/18/55/980861855.db2.gz NUFJPGSGRLWEBP-HNNXBMFYSA-N -1 0 323.392 3.511 20 0 DHADRM CCC1(CC)CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001595374264 980882274 /nfs/dbraw/zinc/88/22/74/980882274.db2.gz AHDFDGUUZKDBNH-UHFFFAOYSA-N -1 0 321.461 3.840 20 0 DHADRM CC(C)(C)C[C@H](NCc1csc(C(=O)[O-])c1)C(F)(F)F ZINC000902430968 980883439 /nfs/dbraw/zinc/88/34/39/980883439.db2.gz GFTXYEZQIDBUOW-JTQLQIEISA-N -1 0 309.353 3.903 20 0 DHADRM CCC1(CC)CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001595374791 980887952 /nfs/dbraw/zinc/88/79/52/980887952.db2.gz VNRVNNXOFOECQU-UHFFFAOYSA-N -1 0 307.365 3.566 20 0 DHADRM CCC1(CC)CCCN1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595375142 980891932 /nfs/dbraw/zinc/89/19/32/980891932.db2.gz UMSSRCNUKOOPTC-UHFFFAOYSA-N -1 0 310.419 3.941 20 0 DHADRM Cc1ccccc1C(F)(F)CNC1CCC(CC(=O)[O-])CC1 ZINC000902475009 980903224 /nfs/dbraw/zinc/90/32/24/980903224.db2.gz IZOSLXLKPQNJPQ-UHFFFAOYSA-N -1 0 311.372 3.710 20 0 DHADRM COc1ccc(C2CC2)c(NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902503790 980912382 /nfs/dbraw/zinc/91/23/82/980912382.db2.gz LNNIQMYPBHDZML-CLFYSBASSA-N -1 0 313.353 3.876 20 0 DHADRM COC1(C[C@@H](C)Nc2ccc(SC)c(C(=O)[O-])c2)CCC1 ZINC000902568516 980937661 /nfs/dbraw/zinc/93/76/61/980937661.db2.gz ZNGGKPZMIZHPKZ-LLVKDONJSA-N -1 0 309.431 3.866 20 0 DHADRM CSc1ccc(NCc2cnc(C3CC3)o2)cc1C(=O)[O-] ZINC000902569205 980938387 /nfs/dbraw/zinc/93/83/87/980938387.db2.gz GCVSGUVJOBURDI-UHFFFAOYSA-N -1 0 304.371 3.584 20 0 DHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)CCCCC(=O)[O-] ZINC000902725000 980943014 /nfs/dbraw/zinc/94/30/14/980943014.db2.gz NPSRDNHGKWBMQV-GDBMZVCRSA-N -1 0 317.429 3.815 20 0 DHADRM CC[C@@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595415787 981029740 /nfs/dbraw/zinc/02/97/40/981029740.db2.gz KJXFSPMIZIHKFT-RKDXNWHRSA-N -1 0 302.296 3.566 20 0 DHADRM CCC1CCC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)(C(=O)[O-])CC1 ZINC001595420637 981037471 /nfs/dbraw/zinc/03/74/71/981037471.db2.gz DOOMGRDMGMBDRP-ZBUWUSMVSA-N -1 0 309.450 3.599 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595434923 981060709 /nfs/dbraw/zinc/06/07/09/981060709.db2.gz CKLBCSLIBYMQOE-KSSFIOAISA-N -1 0 303.402 3.859 20 0 DHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595435198 981063150 /nfs/dbraw/zinc/06/31/50/981063150.db2.gz HUSRANRIPUTFHM-KBMXLJTQSA-N -1 0 317.429 3.781 20 0 DHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595435259 981063706 /nfs/dbraw/zinc/06/37/06/981063706.db2.gz ISMAEJZALGBPHW-QLJPJBMISA-N -1 0 324.446 3.660 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001595435251 981063712 /nfs/dbraw/zinc/06/37/12/981063712.db2.gz IOANXJCGQSBOJR-UGSOOPFHSA-N -1 0 319.401 3.564 20 0 DHADRM CC[C@H]1CCC[C@]1(C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595435951 981067484 /nfs/dbraw/zinc/06/74/84/981067484.db2.gz OGYOESMDTZXCMN-YOEHRIQHSA-N -1 0 309.450 3.744 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595439048 981073718 /nfs/dbraw/zinc/07/37/18/981073718.db2.gz BOIHDCHIAVFGSA-NXEZZACHSA-N -1 0 311.328 3.818 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595441067 981078397 /nfs/dbraw/zinc/07/83/97/981078397.db2.gz MTUZJARQYSDHIQ-DGCLKSJQSA-N -1 0 308.349 3.954 20 0 DHADRM CSc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000905043085 981086743 /nfs/dbraw/zinc/08/67/43/981086743.db2.gz CINDTULSTZUIEZ-SSDOTTSWSA-N -1 0 321.320 3.634 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595444473 981088436 /nfs/dbraw/zinc/08/84/36/981088436.db2.gz PMOZXOXYGMBUHV-XHDPSFHLSA-N -1 0 322.380 3.956 20 0 DHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595444470 981088557 /nfs/dbraw/zinc/08/85/57/981088557.db2.gz PMOZXOXYGMBUHV-ABAIWWIYSA-N -1 0 322.380 3.956 20 0 DHADRM CSc1cccc(C)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905119253 981089819 /nfs/dbraw/zinc/08/98/19/981089819.db2.gz WRRCZLSJFNTRLA-NEPJUHHUSA-N -1 0 307.415 3.546 20 0 DHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595445149 981091219 /nfs/dbraw/zinc/09/12/19/981091219.db2.gz WRYYHJSQLMVSID-GXTWGEPZSA-N -1 0 319.405 3.521 20 0 DHADRM Cc1ccc([C@@H](NCc2cc(C(C)(C)C)on2)C(=O)[O-])cc1C ZINC000905380896 981102501 /nfs/dbraw/zinc/10/25/01/981102501.db2.gz NBUAXSFVRVOTQO-MRXNPFEDSA-N -1 0 316.401 3.504 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595451260 981107235 /nfs/dbraw/zinc/10/72/35/981107235.db2.gz MRXHFHKNPIIUBM-CJNGLKHVSA-N -1 0 318.417 3.746 20 0 DHADRM CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC001595459936 981141203 /nfs/dbraw/zinc/14/12/03/981141203.db2.gz PEXHZSOEBBTABZ-NXEZZACHSA-N -1 0 310.781 3.691 20 0 DHADRM CC[C@@H]1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)[C@H]1C ZINC001595460105 981141750 /nfs/dbraw/zinc/14/17/50/981141750.db2.gz QZMPTPQNFUNWOA-WDEREUQCSA-N -1 0 315.373 3.518 20 0 DHADRM CC(C)Oc1c(NC(=O)CCC2(C)CC2)cccc1C(=O)[O-] ZINC000907847925 981233540 /nfs/dbraw/zinc/23/35/40/981233540.db2.gz QQNRRPPTBWPDAY-UHFFFAOYSA-N -1 0 305.374 3.691 20 0 DHADRM COc1cc(C)c(C)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000656487266 1014719632 /nfs/dbraw/zinc/71/96/32/1014719632.db2.gz PNUABMRPDZPNEX-UHFFFAOYSA-N -1 0 319.401 3.676 20 0 DHADRM CC/C=C(\F)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595507947 981294512 /nfs/dbraw/zinc/29/45/12/981294512.db2.gz PPSRAFTYQXPGBO-HWIKDYBBSA-N -1 0 321.392 3.880 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)c2cc3occc3s2)CCC1 ZINC000908336590 981302109 /nfs/dbraw/zinc/30/21/09/981302109.db2.gz OEAYCHWUUCZQLQ-UHFFFAOYSA-N -1 0 321.398 3.649 20 0 DHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000908337557 981303012 /nfs/dbraw/zinc/30/30/12/981303012.db2.gz CDVBHFLVDAPJFF-HOTGVXAUSA-N -1 0 321.461 3.744 20 0 DHADRM CCc1sc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1C ZINC000908508666 981320858 /nfs/dbraw/zinc/32/08/58/981320858.db2.gz WYHCRNQEQYJTRG-UHFFFAOYSA-N -1 0 319.382 3.578 20 0 DHADRM Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC000908687481 981339855 /nfs/dbraw/zinc/33/98/55/981339855.db2.gz GUNQNUNYZGOHDR-UHFFFAOYSA-N -1 0 307.777 3.622 20 0 DHADRM CCCC(=CC(=O)N[C@H](CC(=O)[O-])c1cccs1)CCC ZINC001595521982 981343074 /nfs/dbraw/zinc/34/30/74/981343074.db2.gz HKEOLMABFZCELO-CYBMUJFWSA-N -1 0 309.431 3.907 20 0 DHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@H](CC)C(=O)[O-])c(C)c1 ZINC000908765678 981357556 /nfs/dbraw/zinc/35/75/56/981357556.db2.gz KAFBEJOQTFLHLN-AAEUAGOBSA-N -1 0 309.431 3.935 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000908773526 981360093 /nfs/dbraw/zinc/36/00/93/981360093.db2.gz LLYQJKABLQHZNT-GFCCVEGCSA-N -1 0 309.431 3.935 20 0 DHADRM CC(C)(C)CCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908787421 981362975 /nfs/dbraw/zinc/36/29/75/981362975.db2.gz NKWMSLHGRCAVEA-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1c(NC(=O)c2cccc(N3CCCC3)c2)cccc1C(=O)[O-] ZINC000908834252 981371341 /nfs/dbraw/zinc/37/13/41/981371341.db2.gz LMWMETGLKAFANT-UHFFFAOYSA-N -1 0 324.380 3.546 20 0 DHADRM CCC[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])C(C)C ZINC001595533483 981375832 /nfs/dbraw/zinc/37/58/32/981375832.db2.gz XRBGOEPXRXFOMM-GOEBONIOSA-N -1 0 305.418 3.561 20 0 DHADRM CCC[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccn1 ZINC001595538002 981389507 /nfs/dbraw/zinc/38/95/07/981389507.db2.gz PNYABRYAUSCZFB-NEPJUHHUSA-N -1 0 317.341 3.561 20 0 DHADRM CCCC(C)(C)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001595538221 981391057 /nfs/dbraw/zinc/39/10/57/981391057.db2.gz ICDPNMAAOVCPLJ-OAHLLOKOSA-N -1 0 305.418 3.925 20 0 DHADRM CCC[C@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595542954 981404847 /nfs/dbraw/zinc/40/48/47/981404847.db2.gz YMVQCLZWXHSKHW-HNNXBMFYSA-N -1 0 310.419 3.874 20 0 DHADRM CCC[C@](C)(NC(=O)c1ccc(-c2cccs2)s1)C(=O)[O-] ZINC001595553836 981432614 /nfs/dbraw/zinc/43/26/14/981432614.db2.gz QCFVPGGNWRWVKP-HNNXBMFYSA-N -1 0 323.439 3.850 20 0 DHADRM CC/C(C)=C/C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909216545 981434828 /nfs/dbraw/zinc/43/48/28/981434828.db2.gz NODXUHDLFFCPML-CSKARUKUSA-N -1 0 303.383 3.572 20 0 DHADRM C/C=C(\CC)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224992 981437263 /nfs/dbraw/zinc/43/72/63/981437263.db2.gz XSEPBKYJXGWANM-QLKAYGNNSA-N -1 0 307.415 3.689 20 0 DHADRM CCC/C(C)=C/C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595566286 981460713 /nfs/dbraw/zinc/46/07/13/981460713.db2.gz PFCRYTLCXGAFNP-HHNLSAEISA-N -1 0 311.381 3.828 20 0 DHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000909298404 981464939 /nfs/dbraw/zinc/46/49/39/981464939.db2.gz DDNRWBNLZFPBBB-FQEVSTJZSA-N -1 0 323.392 3.599 20 0 DHADRM CC(C)(CC(=O)Nc1cc(C(=O)[O-])ccc1F)CC(F)F ZINC000909318494 981467555 /nfs/dbraw/zinc/46/75/55/981467555.db2.gz XSZWORTWFAYIEA-UHFFFAOYSA-N -1 0 303.280 3.534 20 0 DHADRM CC/C(C)=C(/C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000909331358 981470085 /nfs/dbraw/zinc/47/00/85/981470085.db2.gz HLRZICQGUXESRX-SEYXRHQNSA-N -1 0 305.374 3.615 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909362196 981472792 /nfs/dbraw/zinc/47/27/92/981472792.db2.gz TYLSNEYXWATQRM-VNDWYCCKSA-N -1 0 309.793 3.718 20 0 DHADRM CCC[C@H](CC(C)C)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595579012 981504349 /nfs/dbraw/zinc/50/43/49/981504349.db2.gz JZWRSEROAMRYHV-CYBMUJFWSA-N -1 0 318.417 3.521 20 0 DHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001595579616 981509033 /nfs/dbraw/zinc/50/90/33/981509033.db2.gz RNWITYRRNBQUTK-SNVBAGLBSA-N -1 0 316.361 3.656 20 0 DHADRM CC(C)(C)SCCCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000909509699 981517617 /nfs/dbraw/zinc/51/76/17/981517617.db2.gz BQPPHHJTKCMIQS-UHFFFAOYSA-N -1 0 323.458 3.954 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000909512208 981520065 /nfs/dbraw/zinc/52/00/65/981520065.db2.gz CUYQOSRUGVTXDG-UHFFFAOYSA-N -1 0 317.410 3.943 20 0 DHADRM CCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595585980 981527865 /nfs/dbraw/zinc/52/78/65/981527865.db2.gz KIMPFYQWNWTBFC-WFASDCNBSA-N -1 0 323.458 3.867 20 0 DHADRM CCCC(CCC)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001595586503 981533375 /nfs/dbraw/zinc/53/33/75/981533375.db2.gz BPTPBNIWFNRDGD-INIZCTEOSA-N -1 0 303.402 3.554 20 0 DHADRM C[C@@](CC(=O)[O-])(NC(=O)C1=CCCCCC1)c1cccc(F)c1 ZINC000909684707 981571493 /nfs/dbraw/zinc/57/14/93/981571493.db2.gz ZFLJDFMKINQWLL-SFHVURJKSA-N -1 0 319.376 3.522 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)sc1C ZINC000442849319 1014745333 /nfs/dbraw/zinc/74/53/33/1014745333.db2.gz NLNKFTSCICRWLV-UHFFFAOYSA-N -1 0 307.396 3.912 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001594740679 981603999 /nfs/dbraw/zinc/60/39/99/981603999.db2.gz DZBILUZSEKRQGD-WPRPVWTQSA-N -1 0 318.200 3.624 20 0 DHADRM CCC[C@@H](O)CCCSCc1ccc(C(=O)[O-])cc1F ZINC001595607710 981606209 /nfs/dbraw/zinc/60/62/09/981606209.db2.gz GNPDBIKJYXTMEW-CYBMUJFWSA-N -1 0 300.395 3.698 20 0 DHADRM CCCCCc1ccc(NC(=O)N[C@](C)(CCF)C(=O)[O-])cc1 ZINC000656504613 1014747733 /nfs/dbraw/zinc/74/77/33/1014747733.db2.gz CTDXXYHAVPBLEB-QGZVFWFLSA-N -1 0 324.396 3.744 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001594743562 981624728 /nfs/dbraw/zinc/62/47/28/981624728.db2.gz WJCVIOSUNGWXKS-HZPDHXFCSA-N -1 0 317.429 3.758 20 0 DHADRM COc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc(Cl)c1O ZINC000442858347 1014749567 /nfs/dbraw/zinc/74/95/67/1014749567.db2.gz RUZIYCXRFOGAIG-PWSUYJOCSA-N -1 0 311.809 3.705 20 0 DHADRM CCC[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccn1 ZINC001595615026 981633858 /nfs/dbraw/zinc/63/38/58/981633858.db2.gz HMKBBIXXCINEGP-AWEZNQCLSA-N -1 0 323.352 3.762 20 0 DHADRM CCC[C@H](OCC)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001595615170 981634638 /nfs/dbraw/zinc/63/46/38/981634638.db2.gz JVFSQGJEONQMKM-HNNXBMFYSA-N -1 0 307.390 3.652 20 0 DHADRM CCCC1(CCC)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595617477 981653687 /nfs/dbraw/zinc/65/36/87/981653687.db2.gz NQGGXCJNWSCVQX-CABCVRRESA-N -1 0 309.450 3.839 20 0 DHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656506621 1014754965 /nfs/dbraw/zinc/75/49/65/1014754965.db2.gz SQUSHNARQTXSCQ-SFHVURJKSA-N -1 0 314.385 3.507 20 0 DHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001594759520 981687659 /nfs/dbraw/zinc/68/76/59/981687659.db2.gz LDWWJRNQJPVGBM-ZDUSSCGKSA-N -1 0 319.307 3.681 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595620490 981690141 /nfs/dbraw/zinc/69/01/41/981690141.db2.gz JXFKSGOFFRAWFF-HYVNUMGLSA-N -1 0 317.429 3.705 20 0 DHADRM CCCC1CCC(N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001595620951 981695178 /nfs/dbraw/zinc/69/51/78/981695178.db2.gz YHFSFEUBAFNNLU-UHFFFAOYSA-N -1 0 317.429 3.745 20 0 DHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2cccc(C)c2)c1 ZINC001594762382 981698456 /nfs/dbraw/zinc/69/84/56/981698456.db2.gz VNHYYPPIQNBNKF-MRXNPFEDSA-N -1 0 313.353 3.837 20 0 DHADRM CCC[C@H]1CCC[C@H]1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595621377 981699698 /nfs/dbraw/zinc/69/96/98/981699698.db2.gz HHAAWELALOCOOM-LSDHHAIUSA-N -1 0 309.450 3.887 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595621609 981701681 /nfs/dbraw/zinc/70/16/81/981701681.db2.gz LQQGDSCHVUIPJA-MWLCHTKSSA-N -1 0 310.781 3.588 20 0 DHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C(C)=C\c1ccco1)c1ccccc1 ZINC001594763795 981701753 /nfs/dbraw/zinc/70/17/53/981701753.db2.gz FYEZVFGVEZCFOR-AHKFDXCISA-N -1 0 313.353 3.579 20 0 DHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595621700 981702411 /nfs/dbraw/zinc/70/24/11/981702411.db2.gz NCGZWUVFMWEFIX-NVXWUHKLSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595621699 981702516 /nfs/dbraw/zinc/70/25/16/981702516.db2.gz NCGZWUVFMWEFIX-DOTOQJQBSA-N -1 0 317.429 3.793 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595622195 981707233 /nfs/dbraw/zinc/70/72/33/981707233.db2.gz SABYOSUJQJXURE-YHUYYLMFSA-N -1 0 309.450 3.600 20 0 DHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595622162 981707562 /nfs/dbraw/zinc/70/75/62/981707562.db2.gz RSBQQPKPCNCLQI-OWCLPIDISA-N -1 0 309.450 3.743 20 0 DHADRM CCC[C@@H]1CCC[C@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595622487 981710461 /nfs/dbraw/zinc/71/04/61/981710461.db2.gz UIHLXTGMRPIBHC-CHWSQXEVSA-N -1 0 308.349 3.575 20 0 DHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595622845 981715057 /nfs/dbraw/zinc/71/50/57/981715057.db2.gz WHUUAZGLPPFIOB-RDJZCZTQSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001594768381 981730331 /nfs/dbraw/zinc/73/03/31/981730331.db2.gz XEGCGBZJMRQTIH-WMLDXEAASA-N -1 0 311.381 3.687 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)c1sc(C)cc1C)c1ccccc1 ZINC001594770428 981738764 /nfs/dbraw/zinc/73/87/64/981738764.db2.gz JVSYXBDLGUIAFX-CQSZACIVSA-N -1 0 317.410 3.875 20 0 DHADRM CC/C(C)=C(\C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000910101811 981759815 /nfs/dbraw/zinc/75/98/15/981759815.db2.gz NFQCFDOKHDSSFB-XADBSNKSSA-N -1 0 301.386 3.550 20 0 DHADRM CC[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594778527 981778493 /nfs/dbraw/zinc/77/84/93/981778493.db2.gz UNXGMSPYLZWBQS-OAHLLOKOSA-N -1 0 302.301 3.623 20 0 DHADRM CCCC[C@@](C)(F)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595631047 981831527 /nfs/dbraw/zinc/83/15/27/981831527.db2.gz ZLUQBZXGAOOZQN-QGZVFWFLSA-N -1 0 318.348 3.790 20 0 DHADRM CCCC[C@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595631137 981833877 /nfs/dbraw/zinc/83/38/77/981833877.db2.gz DPIOVAMTEISJNC-NSHDSACASA-N -1 0 300.358 3.698 20 0 DHADRM CCCC[C@@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595631599 981841138 /nfs/dbraw/zinc/84/11/38/981841138.db2.gz WGDWDTSQONXGFS-UKRRQHHQSA-N -1 0 305.418 3.781 20 0 DHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(Cl)s1 ZINC001594790781 981844034 /nfs/dbraw/zinc/84/40/34/981844034.db2.gz HCTNPUWFYSBMLR-CQSZACIVSA-N -1 0 315.822 3.507 20 0 DHADRM CCCC[C@@H](CC)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001595632321 981853455 /nfs/dbraw/zinc/85/34/55/981853455.db2.gz WBWZYLDOAVHLNP-SNVBAGLBSA-N -1 0 310.419 3.553 20 0 DHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594794988 981874818 /nfs/dbraw/zinc/87/48/18/981874818.db2.gz WLBWOANOAXQXKJ-QMMMGPOBSA-N -1 0 314.332 3.609 20 0 DHADRM CCC(C)(C)CCNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594801008 981892816 /nfs/dbraw/zinc/89/28/16/981892816.db2.gz WLCLRICHWMXAHM-UHFFFAOYSA-N -1 0 317.389 3.814 20 0 DHADRM O=C(c1c([O-])cc(F)cc1F)N1CCc2ccc(Cl)cc21 ZINC000060471628 1014778528 /nfs/dbraw/zinc/77/85/28/1014778528.db2.gz WZFBHILCCAHTBR-UHFFFAOYSA-N -1 0 309.699 3.527 20 0 DHADRM CCC(C)(C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001594814664 981940367 /nfs/dbraw/zinc/94/03/67/981940367.db2.gz VETPECRCKFOXHC-IBGZPJMESA-N -1 0 317.429 3.747 20 0 DHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC=CCCC2)c2ccccc21 ZINC000910476859 981952836 /nfs/dbraw/zinc/95/28/36/981952836.db2.gz SYIIQJCZHBDIBR-XKQJLSEDSA-N -1 0 313.397 3.552 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001594817694 981958663 /nfs/dbraw/zinc/95/86/63/981958663.db2.gz UAURTSBTONMVLY-MISXGVKJSA-N -1 0 323.355 3.505 20 0 DHADRM CCCC[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)[O-] ZINC001595644490 981978320 /nfs/dbraw/zinc/97/83/20/981978320.db2.gz BEJQLZZFYDDYIX-OAHLLOKOSA-N -1 0 316.357 3.587 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000910561887 981991540 /nfs/dbraw/zinc/99/15/40/981991540.db2.gz YHYLJZRIIULRQZ-ZIAGYGMSSA-N -1 0 323.392 3.970 20 0 DHADRM CCCC[C@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC001595650345 982008470 /nfs/dbraw/zinc/00/84/70/982008470.db2.gz GKFXAISYXAYWNP-MCIGGMRASA-N -1 0 324.339 3.932 20 0 DHADRM CCCC[C@H](S[C@H](C)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001595651289 982019253 /nfs/dbraw/zinc/01/92/53/982019253.db2.gz DTZCARHWYQTQDA-SKDRFNHKSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC001595651283 982019855 /nfs/dbraw/zinc/01/98/55/982019855.db2.gz DSMGHLGFWFFLQR-TZMCWYRMSA-N -1 0 309.431 3.699 20 0 DHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccccc1C)C(=O)[O-] ZINC001595651490 982022190 /nfs/dbraw/zinc/02/21/90/982022190.db2.gz GYKOONFEAOBJOA-TZMCWYRMSA-N -1 0 309.431 3.699 20 0 DHADRM CCCC[C@@H](S[C@H](C)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC001595651506 982022576 /nfs/dbraw/zinc/02/25/76/982022576.db2.gz HAULEAZLLZHCAV-BXKDBHETSA-N -1 0 300.376 3.504 20 0 DHADRM CCCC[C@@H](SCc1ncc(Cl)nc1Cl)C(=O)[O-] ZINC001595657288 982060890 /nfs/dbraw/zinc/06/08/90/982060890.db2.gz KKLBSGGOUHGDMT-MRVPVSSYSA-N -1 0 309.218 3.660 20 0 DHADRM CC[C@](C)(NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CC1 ZINC001594842838 982065323 /nfs/dbraw/zinc/06/53/23/982065323.db2.gz YNGCATSNIOQGKC-KRWDZBQOSA-N -1 0 315.373 3.566 20 0 DHADRM CCCC[C@@H](SCc1ccc(-n2ccnc2)cc1)C(=O)[O-] ZINC001595657982 982067574 /nfs/dbraw/zinc/06/75/74/982067574.db2.gz XNKCSHNKHWHGOP-OAHLLOKOSA-N -1 0 304.415 3.749 20 0 DHADRM CC(C)c1sc(NC(=O)C=C2CCCCC2)nc1C(=O)[O-] ZINC000910699257 982069628 /nfs/dbraw/zinc/06/96/28/982069628.db2.gz NAKKZLWTEFHVHC-UHFFFAOYSA-N -1 0 308.403 3.794 20 0 DHADRM CC(C)c1sc(NC(=O)[C@@H](C)c2ccsc2)nc1C(=O)[O-] ZINC000910699278 982070089 /nfs/dbraw/zinc/07/00/89/982070089.db2.gz NQTBTUKDXAHOFM-QMMMGPOBSA-N -1 0 324.427 3.768 20 0 DHADRM CC(C)c1sc(NC(=O)c2ccoc2C2CC2)nc1C(=O)[O-] ZINC000910707019 982075858 /nfs/dbraw/zinc/07/58/58/982075858.db2.gz VZMSENZUWKOPFA-UHFFFAOYSA-N -1 0 320.370 3.687 20 0 DHADRM C/C(=C/C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccco1 ZINC000910705880 982076069 /nfs/dbraw/zinc/07/60/69/982076069.db2.gz NJOWABATGQXVNY-CLFYSBASSA-N -1 0 320.370 3.600 20 0 DHADRM CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595662473 982079026 /nfs/dbraw/zinc/07/90/26/982079026.db2.gz FRIMGKITAAQJBQ-SJORKVTESA-N -1 0 319.445 3.651 20 0 DHADRM CCCCCC(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001595663271 982082911 /nfs/dbraw/zinc/08/29/11/982082911.db2.gz SZMOJXUZLKUTLO-INIZCTEOSA-N -1 0 319.445 3.886 20 0 DHADRM CCC(CC)CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910727265 982091389 /nfs/dbraw/zinc/09/13/89/982091389.db2.gz NJJOQKQLDPCZEX-GFCCVEGCSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@](C)(CC)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001595665993 982096129 /nfs/dbraw/zinc/09/61/29/982096129.db2.gz AYIJPGXCXDKZJR-HNNXBMFYSA-N -1 0 312.435 3.801 20 0 DHADRM CCc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910733853 982096831 /nfs/dbraw/zinc/09/68/31/982096831.db2.gz DIAMIVWZQBRWRC-UHFFFAOYSA-N -1 0 322.411 3.595 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910734914 982098155 /nfs/dbraw/zinc/09/81/55/982098155.db2.gz XLFCQQKZTZXGOU-ZYHUDNBSSA-N -1 0 324.446 3.640 20 0 DHADRM CCCCC[C@@](C)(CC)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001595666518 982100410 /nfs/dbraw/zinc/10/04/10/982100410.db2.gz LRFZUDQDHHSFIX-OLMNPRSZSA-N -1 0 309.450 3.839 20 0 DHADRM CC1=CC[C@@](C)(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CC1 ZINC000910741468 982104712 /nfs/dbraw/zinc/10/47/12/982104712.db2.gz JGONCXAAOJHDFP-MRXNPFEDSA-N -1 0 320.414 3.794 20 0 DHADRM CCCCC[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595666947 982108369 /nfs/dbraw/zinc/10/83/69/982108369.db2.gz VSUVQCXDWKPTBB-GFCCVEGCSA-N -1 0 309.381 3.747 20 0 DHADRM CCCCC[C@H](NC(=O)[C@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001595668575 982111029 /nfs/dbraw/zinc/11/10/29/982111029.db2.gz BNCQUEMYSKBRSH-FJBKBRRZSA-N -1 0 311.466 3.989 20 0 DHADRM CCCCC[C@H](NC(=O)C1(c2ccc(C)cc2)CCC1)C(=O)[O-] ZINC001595669238 982113394 /nfs/dbraw/zinc/11/33/94/982113394.db2.gz GNRZSOHJBUQFHQ-INIZCTEOSA-N -1 0 317.429 3.566 20 0 DHADRM CCCCC[C@H](NC(=O)/C(C)=C/C1CCC(C)CC1)C(=O)[O-] ZINC001595669983 982115945 /nfs/dbraw/zinc/11/59/45/982115945.db2.gz LMHDAHVNWSHCPE-KKDZALCLSA-N -1 0 309.450 3.909 20 0 DHADRM Cc1cccc(-c2cccc(C(=O)NC3CC(CC(=O)[O-])C3)c2)c1 ZINC000910804822 982126059 /nfs/dbraw/zinc/12/60/59/982126059.db2.gz LINXBCYVAQAFMC-UHFFFAOYSA-N -1 0 323.392 3.645 20 0 DHADRM CC(C)[C@H](CC1CCCCC1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910808808 982130320 /nfs/dbraw/zinc/13/03/20/982130320.db2.gz CACVVLWZLPEOLE-GPANFISMSA-N -1 0 309.450 3.599 20 0 DHADRM CC/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594860539 982138664 /nfs/dbraw/zinc/13/86/64/982138664.db2.gz JLWULWFGFHRYQH-BYIUCRAPSA-N -1 0 317.429 3.972 20 0 DHADRM C[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccc2ccccc2c1 ZINC000910828675 982141348 /nfs/dbraw/zinc/14/13/48/982141348.db2.gz DONMMVQHJKMRKK-ZDUSSCGKSA-N -1 0 313.397 3.560 20 0 DHADRM CCCCC[C@H](Nc1cc(Cl)nc(C2CCC2)n1)C(=O)[O-] ZINC001595687259 982178628 /nfs/dbraw/zinc/17/86/28/982178628.db2.gz OHWBKPQARDIVCZ-NSHDSACASA-N -1 0 311.813 3.843 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595695183 982216911 /nfs/dbraw/zinc/21/69/11/982216911.db2.gz QEBHITWXTBFWBG-CQSZACIVSA-N -1 0 317.429 3.876 20 0 DHADRM CCCCCCC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595695341 982217738 /nfs/dbraw/zinc/21/77/38/982217738.db2.gz SXFVYOJCFARPAW-GOSISDBHSA-N -1 0 305.418 3.506 20 0 DHADRM CCCCCC[C@@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595695370 982218941 /nfs/dbraw/zinc/21/89/41/982218941.db2.gz ULDBQHDUGBMINU-ZBFHGGJFSA-N -1 0 311.466 3.990 20 0 DHADRM CCCCCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595695576 982219847 /nfs/dbraw/zinc/21/98/47/982219847.db2.gz XYWJHCBGEDGGFA-QWHCGFSZSA-N -1 0 311.447 3.987 20 0 DHADRM CCCCCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595695643 982220673 /nfs/dbraw/zinc/22/06/73/982220673.db2.gz ZXQFEHBTQGPXSM-GFCCVEGCSA-N -1 0 307.390 3.938 20 0 DHADRM Cc1cc(NC(=O)CC2CC(OC(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC000911073119 982226535 /nfs/dbraw/zinc/22/65/35/982226535.db2.gz OZVFYKIGHWIGBX-UHFFFAOYSA-N -1 0 319.401 3.616 20 0 DHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001595696805 982233400 /nfs/dbraw/zinc/23/34/00/982233400.db2.gz DAMFQYNEGPWKQS-AWEZNQCLSA-N -1 0 320.433 3.848 20 0 DHADRM C[C@H]1CCc2ccccc2N1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911105590 982239061 /nfs/dbraw/zinc/23/90/61/982239061.db2.gz BGAVXNQJOJXWJH-AWEZNQCLSA-N -1 0 323.392 3.685 20 0 DHADRM CCCCCC[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595697285 982239765 /nfs/dbraw/zinc/23/97/65/982239765.db2.gz JUXMRAAOUFQJDP-CYBMUJFWSA-N -1 0 303.406 3.892 20 0 DHADRM CSC[C@H]1CCCN1C(=O)c1cc2ccccc2cc1O ZINC000092762361 1014818874 /nfs/dbraw/zinc/81/88/74/1014818874.db2.gz ORVAYCSLYYGQDR-CQSZACIVSA-N -1 0 301.411 3.513 20 0 DHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594883691 982255500 /nfs/dbraw/zinc/25/55/00/982255500.db2.gz VZDDDGGEAAPCOG-YUMQZZPRSA-N -1 0 316.760 3.733 20 0 DHADRM CCCCCCOCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595710056 982292413 /nfs/dbraw/zinc/29/24/13/982292413.db2.gz AUHMQODRNRQLLM-UHFFFAOYSA-N -1 0 307.390 3.537 20 0 DHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595710895 982296608 /nfs/dbraw/zinc/29/66/08/982296608.db2.gz NNLCGLBAYKWGLS-CYBMUJFWSA-N -1 0 307.390 3.617 20 0 DHADRM CCCCCN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595717185 982329605 /nfs/dbraw/zinc/32/96/05/982329605.db2.gz WOYMEACCFYFVFW-UHFFFAOYSA-N -1 0 318.236 3.715 20 0 DHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001595731975 982365739 /nfs/dbraw/zinc/36/57/39/982365739.db2.gz MSHZHYVDAZVSQG-ZDUSSCGKSA-N -1 0 315.369 3.981 20 0 DHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001594911327 982414411 /nfs/dbraw/zinc/41/44/11/982414411.db2.gz BDLFBUPMTOEIIY-IUODEOHRSA-N -1 0 305.418 3.603 20 0 DHADRM CCCCN(Cc1ccccc1Cl)c1ccc(C(=O)[O-])nn1 ZINC001595747827 982415877 /nfs/dbraw/zinc/41/58/77/982415877.db2.gz KEIPJXFMKABLDK-UHFFFAOYSA-N -1 0 319.792 3.635 20 0 DHADRM CCCCN(Cc1cncc(C(=O)[O-])c1)Cc1ccccc1F ZINC001595748005 982416580 /nfs/dbraw/zinc/41/65/80/982416580.db2.gz OEIFAKCBYXSXHW-UHFFFAOYSA-N -1 0 316.376 3.721 20 0 DHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1(C)C ZINC000911506084 982462372 /nfs/dbraw/zinc/46/23/72/982462372.db2.gz ZOKYFOJWNADPBP-LBPRGKRZSA-N -1 0 321.417 3.584 20 0 DHADRM CCCCOC(=O)CSCc1cc(C(=O)[O-])ccc1Cl ZINC001595764802 982485383 /nfs/dbraw/zinc/48/53/83/982485383.db2.gz YKMDUIPXQXTBIM-UHFFFAOYSA-N -1 0 316.806 3.615 20 0 DHADRM CCCCOc1ccc(NCc2ccc(C(=O)[O-])n2C)c(C)c1 ZINC001595781028 982557987 /nfs/dbraw/zinc/55/79/87/982557987.db2.gz WFFQTCGVCPGORC-UHFFFAOYSA-N -1 0 316.401 3.823 20 0 DHADRM CCCCS[C@@H](C)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595789339 982588337 /nfs/dbraw/zinc/58/83/37/982588337.db2.gz VSCRYRVXTNKYFP-LBPRGKRZSA-N -1 0 324.442 3.876 20 0 DHADRM CCCCSCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595791605 982589983 /nfs/dbraw/zinc/58/99/83/982589983.db2.gz DZWBEMUJDNKFEG-UHFFFAOYSA-N -1 0 315.460 3.925 20 0 DHADRM CCCCSCCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595791603 982590374 /nfs/dbraw/zinc/59/03/74/982590374.db2.gz DZELKTPDRMDJRN-UHFFFAOYSA-N -1 0 324.442 3.878 20 0 DHADRM CCCCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595793397 982595408 /nfs/dbraw/zinc/59/54/08/982595408.db2.gz HLKKKYXIMOGGMB-UHFFFAOYSA-N -1 0 317.429 3.794 20 0 DHADRM CC1=C(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCC1 ZINC000911737980 982619728 /nfs/dbraw/zinc/61/97/28/982619728.db2.gz KPDJLSCENMEMPG-UHFFFAOYSA-N -1 0 303.358 3.611 20 0 DHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC001594944557 982627514 /nfs/dbraw/zinc/62/75/14/982627514.db2.gz GQEAPXCWDOUKBS-QMTHXVAHSA-N -1 0 317.385 3.669 20 0 DHADRM CCCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)[C@@H](C)C(=O)[O-] ZINC001595813491 982655552 /nfs/dbraw/zinc/65/55/52/982655552.db2.gz JSMTWNKBGWSHMP-GJZGRUSLSA-N -1 0 319.445 3.700 20 0 DHADRM CC(C)Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000914729690 982656392 /nfs/dbraw/zinc/65/63/92/982656392.db2.gz OXOQFDQHFGDIKC-UHFFFAOYSA-N -1 0 315.344 3.975 20 0 DHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(CC)cc1 ZINC001595816638 982674066 /nfs/dbraw/zinc/67/40/66/982674066.db2.gz JQUPKHNHBBRDOG-CVEARBPZSA-N -1 0 317.429 3.883 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC(C3CCCCC3)CC2)s1 ZINC000916438441 982676523 /nfs/dbraw/zinc/67/65/23/982676523.db2.gz APEDTLANHOQVLE-UHFFFAOYSA-N -1 0 321.442 3.879 20 0 DHADRM CCCN(C(=O)C[C@H](C)CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595817491 982680751 /nfs/dbraw/zinc/68/07/51/982680751.db2.gz SMFSIFNSBGCGPU-HOCLYGCPSA-N -1 0 305.418 3.877 20 0 DHADRM CC[C@@H](C)C[C@@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001594953710 982681343 /nfs/dbraw/zinc/68/13/43/982681343.db2.gz UYMNFBGPSDCQPH-LDYMZIIASA-N -1 0 307.419 3.609 20 0 DHADRM CC[C@H](C)CCCCC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594959524 982707841 /nfs/dbraw/zinc/70/78/41/982707841.db2.gz XCQOLHNCSDNYOU-ZDUSSCGKSA-N -1 0 320.433 3.996 20 0 DHADRM CC[C@@H](C)CCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594959636 982708652 /nfs/dbraw/zinc/70/86/52/982708652.db2.gz ZYIZRHZVCXYMIV-HIFRSBDPSA-N -1 0 303.402 3.808 20 0 DHADRM CC[C@@H](C)CCNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001594959627 982708739 /nfs/dbraw/zinc/70/87/39/982708739.db2.gz ZRUMZELTJBNYJR-GFCCVEGCSA-N -1 0 322.405 3.730 20 0 DHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC001595826430 982710232 /nfs/dbraw/zinc/71/02/32/982710232.db2.gz GEGKUYVWEZARIG-AWEZNQCLSA-N -1 0 313.353 3.518 20 0 DHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1cc(C)ccc1C ZINC000923092991 982718013 /nfs/dbraw/zinc/71/80/13/982718013.db2.gz WEGNRIIPFKDFEJ-UHFFFAOYSA-N -1 0 303.383 3.553 20 0 DHADRM CC[C@H](CC1CCCC1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118792 982737838 /nfs/dbraw/zinc/73/78/38/982737838.db2.gz GQNRJTZQPHBLBS-OAHLLOKOSA-N -1 0 317.429 3.650 20 0 DHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001594972287 982743079 /nfs/dbraw/zinc/74/30/79/982743079.db2.gz TWSJWLVUUAPPRX-BRADTZPFSA-N -1 0 317.429 3.709 20 0 DHADRM Cc1ccc(NCc2cccc(OC3CC3)c2F)cc1C(=O)[O-] ZINC000656571941 1014880028 /nfs/dbraw/zinc/88/00/28/1014880028.db2.gz DNWUVUKWELKODF-UHFFFAOYSA-N -1 0 315.344 3.986 20 0 DHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C1C ZINC001594985609 982805659 /nfs/dbraw/zinc/80/56/59/982805659.db2.gz VWRZQWGATBMCNE-OTYXRUKQSA-N -1 0 322.792 3.563 20 0 DHADRM Cc1ccc(C(=O)N(CCc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000923214602 982846015 /nfs/dbraw/zinc/84/60/15/982846015.db2.gz SWMBAKMXYCEAIV-UHFFFAOYSA-N -1 0 323.392 3.541 20 0 DHADRM CCCN(Cc1ncc(C(=O)[O-])s1)c1ccc(CC)cc1 ZINC001595890956 982923164 /nfs/dbraw/zinc/92/31/64/982923164.db2.gz HHXGFYVNTUUEJU-UHFFFAOYSA-N -1 0 304.415 3.820 20 0 DHADRM CC[C@@H](C)c1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001595010141 982939490 /nfs/dbraw/zinc/93/94/90/982939490.db2.gz NPAAKVXPEPYIBS-LLVKDONJSA-N -1 0 302.326 3.848 20 0 DHADRM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC001595013585 982948616 /nfs/dbraw/zinc/94/86/16/982948616.db2.gz JXJSFHREHPQKET-TUAOUCFPSA-N -1 0 309.431 3.733 20 0 DHADRM CC(C)[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1 ZINC001118753291 982961447 /nfs/dbraw/zinc/96/14/47/982961447.db2.gz WOCPKLRKIAQUEB-OAHLLOKOSA-N -1 0 305.418 3.528 20 0 DHADRM CC(C)(C)c1ncc(CN[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001119601943 983002177 /nfs/dbraw/zinc/00/21/77/983002177.db2.gz NFCXPNPLPKWIJC-QGZVFWFLSA-N -1 0 318.442 3.530 20 0 DHADRM CC(C)(C(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000614689093 1014901503 /nfs/dbraw/zinc/90/15/03/1014901503.db2.gz XCXZKGDPGPKDGU-UHFFFAOYSA-N -1 0 323.421 3.543 20 0 DHADRM CCCNc1ccccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595936419 983074265 /nfs/dbraw/zinc/07/42/65/983074265.db2.gz AWFJTYLTXQSVBT-UHFFFAOYSA-N -1 0 312.369 3.767 20 0 DHADRM CCCOc1ccc(COC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001595961053 983156274 /nfs/dbraw/zinc/15/62/74/983156274.db2.gz QTNHDXLVDAGFCT-UHFFFAOYSA-N -1 0 320.366 3.592 20 0 DHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(CC)[nH]2)cc1F ZINC001595966099 983170586 /nfs/dbraw/zinc/17/05/86/983170586.db2.gz CAJLUEHWMMQIFC-UHFFFAOYSA-N -1 0 320.364 3.815 20 0 DHADRM CCCc1c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596029865 983296877 /nfs/dbraw/zinc/29/68/77/983296877.db2.gz QIDAWQGOOHRCIQ-GFCCVEGCSA-N -1 0 320.433 3.625 20 0 DHADRM CCCc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596036063 983311860 /nfs/dbraw/zinc/31/18/60/983311860.db2.gz DBKFVSYEMGJBOT-JTNHKYCSSA-N -1 0 320.433 3.528 20 0 DHADRM CCCc1c(C(=O)Nc2ccc(C)c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045341 983332263 /nfs/dbraw/zinc/33/22/63/983332263.db2.gz KYDDFFNIPDHJKD-UHFFFAOYSA-N -1 0 318.348 3.674 20 0 DHADRM CCCc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001596060884 983370694 /nfs/dbraw/zinc/37/06/94/983370694.db2.gz YWFONZVYOWALPP-UHFFFAOYSA-N -1 0 309.365 3.540 20 0 DHADRM CCCc1ccc([C@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596063437 983375654 /nfs/dbraw/zinc/37/56/54/983375654.db2.gz YRKBOWBIRSNSKA-IXDOHACOSA-N -1 0 317.429 3.563 20 0 DHADRM CCCc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001596070618 983386485 /nfs/dbraw/zinc/38/64/85/983386485.db2.gz PDKRIRIXCRRUHK-UHFFFAOYSA-N -1 0 301.317 3.729 20 0 DHADRM CCCc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001596070657 983386616 /nfs/dbraw/zinc/38/66/16/983386616.db2.gz RWIMKPJABCQMBF-MRXNPFEDSA-N -1 0 318.417 3.794 20 0 DHADRM CCCc1cccc(CNc2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001596070631 983386823 /nfs/dbraw/zinc/38/68/23/983386823.db2.gz QCGDYCQKMUDNSF-UHFFFAOYSA-N -1 0 304.777 3.998 20 0 DHADRM CCCc1nc(C)c(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)o1 ZINC001596082027 983397867 /nfs/dbraw/zinc/39/78/67/983397867.db2.gz AHYZOWRINNOEDL-UHFFFAOYSA-N -1 0 323.732 3.506 20 0 DHADRM CCCc1occc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001596102735 983428750 /nfs/dbraw/zinc/42/87/50/983428750.db2.gz SGZGKOJROYIWMO-UHFFFAOYSA-N -1 0 307.733 3.836 20 0 DHADRM CCN(C(=O)[C@@H]1CCCCC1(C)C)c1ccccc1C(=O)[O-] ZINC001596136348 983483910 /nfs/dbraw/zinc/48/39/10/983483910.db2.gz ANNJMNHDOWDNPF-AWEZNQCLSA-N -1 0 303.402 3.954 20 0 DHADRM CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1C(=O)[O-] ZINC001596136800 983484831 /nfs/dbraw/zinc/48/48/31/983484831.db2.gz GMGKOLJCEOTFOP-CQSZACIVSA-N -1 0 301.386 3.874 20 0 DHADRM CCN(C(=O)/C=C\C1CCCCC1)c1ccccc1C(=O)[O-] ZINC001596136718 983484848 /nfs/dbraw/zinc/48/48/48/983484848.db2.gz DRMBKHDHVQTOII-SEYXRHQNSA-N -1 0 301.386 3.874 20 0 DHADRM CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccccc1C(=O)[O-] ZINC001596137943 983488331 /nfs/dbraw/zinc/48/83/31/983488331.db2.gz PTQHSABYXWRMFM-HUUCEWRRSA-N -1 0 301.386 3.564 20 0 DHADRM CCN(C(=O)[C@H]1CCc2ccccc2C1)c1ccccc1C(=O)[O-] ZINC001596138379 983489154 /nfs/dbraw/zinc/48/91/54/983489154.db2.gz SBDOSFJFKLLBNO-INIZCTEOSA-N -1 0 323.392 3.543 20 0 DHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001596143914 983498639 /nfs/dbraw/zinc/49/86/39/983498639.db2.gz XRKUMBRJESAFQP-UHFFFAOYSA-N -1 0 317.772 3.634 20 0 DHADRM CCN(CCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)o1 ZINC001596308847 983737478 /nfs/dbraw/zinc/73/74/78/983737478.db2.gz KFKJDHNKBLJONO-UHFFFAOYSA-N -1 0 311.337 3.523 20 0 DHADRM CCN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc2[nH]ccc2c1 ZINC001596363116 983843014 /nfs/dbraw/zinc/84/30/14/983843014.db2.gz TVICUOMCLZPHKQ-UHFFFAOYSA-N -1 0 324.380 3.658 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1 ZINC000443528706 1014983571 /nfs/dbraw/zinc/98/35/71/1014983571.db2.gz JNPYAKHYRHJJCJ-UHFFFAOYSA-N -1 0 319.426 3.799 20 0 DHADRM CCNc1ccc(C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001596501223 984253721 /nfs/dbraw/zinc/25/37/21/984253721.db2.gz JGHCVUFBPGEKRO-UHFFFAOYSA-N -1 0 316.332 3.516 20 0 DHADRM C/C(=C(\F)C(=O)N(CCCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC001588932888 984610588 /nfs/dbraw/zinc/61/05/88/984610588.db2.gz MGLUCSFHHLYLOY-GHRIWEEISA-N -1 0 319.376 3.534 20 0 DHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1C ZINC001588939756 984631343 /nfs/dbraw/zinc/63/13/43/984631343.db2.gz SCFRJPZLTKOELH-RXXLQFRUSA-N -1 0 315.413 3.548 20 0 DHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccco1 ZINC001588944490 984648500 /nfs/dbraw/zinc/64/85/00/984648500.db2.gz YFSLLDMBTQZSRP-CLFYSBASSA-N -1 0 305.717 3.673 20 0 DHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cscc1Cl ZINC001599888169 984662161 /nfs/dbraw/zinc/66/21/61/984662161.db2.gz CVYPDJRWWDZSDN-SNVBAGLBSA-N -1 0 323.801 3.517 20 0 DHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001588956212 984702324 /nfs/dbraw/zinc/70/23/24/984702324.db2.gz IZHMPMYGFDKWEK-JNJBLNKMSA-N -1 0 307.434 3.615 20 0 DHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001588956218 984702689 /nfs/dbraw/zinc/70/26/89/984702689.db2.gz IZHMPMYGFDKWEK-YKXLIUFSSA-N -1 0 307.434 3.615 20 0 DHADRM CCOC(=O)Nc1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC001596666114 984729739 /nfs/dbraw/zinc/72/97/39/984729739.db2.gz AFXQGXIKGLITIC-GFCCVEGCSA-N -1 0 322.405 3.946 20 0 DHADRM C[C@H](OC(=O)C=C(C1CC1)C1CC1)c1ccc(C(=O)[O-])cc1 ZINC001599903870 984897341 /nfs/dbraw/zinc/89/73/41/984897341.db2.gz NJSRXFKGUPITQJ-NSHDSACASA-N -1 0 300.354 3.735 20 0 DHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccccc1 ZINC001599904866 984908873 /nfs/dbraw/zinc/90/88/73/984908873.db2.gz IMBKDDYUIKYAPK-CRFBAAHOSA-N -1 0 310.349 3.549 20 0 DHADRM C/C(=C\COc1c(Cl)cc(Cl)c2cccnc21)C(=O)[O-] ZINC001588990692 984911392 /nfs/dbraw/zinc/91/13/92/984911392.db2.gz FPLZYQPYGCDADQ-XBXARRHUSA-N -1 0 312.152 3.951 20 0 DHADRM C/C(=C\CSc1nc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001588991013 984913418 /nfs/dbraw/zinc/91/34/18/984913418.db2.gz OREXCCWGYJSXAW-RMKNXTFCSA-N -1 0 308.790 3.853 20 0 DHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001589004153 984962247 /nfs/dbraw/zinc/96/22/47/984962247.db2.gz YZXJCFNVPQESJR-CFRMROPGSA-N -1 0 323.820 3.749 20 0 DHADRM CCOC(=O)c1cccc(SCc2ccc(C(=O)[O-])s2)c1 ZINC001596731139 984999779 /nfs/dbraw/zinc/99/97/79/984999779.db2.gz XYXJAIFNCRJKMX-UHFFFAOYSA-N -1 0 322.407 3.915 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1C ZINC000656738222 1015110357 /nfs/dbraw/zinc/11/03/57/1015110357.db2.gz HCWTXLNTKMGLBS-UHFFFAOYSA-N -1 0 316.426 3.685 20 0 DHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H]1c1ccccc1 ZINC001599937829 985417998 /nfs/dbraw/zinc/41/79/98/985417998.db2.gz KPCXQEAZHYTVAC-ACJLOTCBSA-N -1 0 313.328 3.656 20 0 DHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC001594479148 985511959 /nfs/dbraw/zinc/51/19/59/985511959.db2.gz UBBANTDYNVOMRB-JTQLQIEISA-N -1 0 316.382 3.598 20 0 DHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001594479514 985516999 /nfs/dbraw/zinc/51/69/99/985516999.db2.gz LOGPOAVYXJSLOK-IXPVHAAZSA-N -1 0 320.364 3.566 20 0 DHADRM Cc1[nH]c(C(=O)[C@@H](C)SCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599948335 985566854 /nfs/dbraw/zinc/56/68/54/985566854.db2.gz NAIOVVPVIOLJPK-LLVKDONJSA-N -1 0 309.431 3.824 20 0 DHADRM Cc1ccc(C[C@H](Sc2cc(C(C)C)ncn2)C(=O)[O-])cc1 ZINC000656780565 1015146119 /nfs/dbraw/zinc/14/61/19/1015146119.db2.gz BKOMGYGHJILSKO-HNNXBMFYSA-N -1 0 316.426 3.696 20 0 DHADRM CC(=O)c1ccc(NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)nc1 ZINC000656783432 1015148874 /nfs/dbraw/zinc/14/88/74/1015148874.db2.gz PMRBJDOPERDRIJ-INIZCTEOSA-N -1 0 324.380 3.514 20 0 DHADRM Cc1[nH]c(C(=O)O[C@H](C)c2ccc(F)cc2F)c(C)c1C(=O)[O-] ZINC001599960275 985767967 /nfs/dbraw/zinc/76/79/67/985767967.db2.gz FAMHHGJVHKBGSJ-SECBINFHSA-N -1 0 323.295 3.526 20 0 DHADRM Cc1[nH]c(CN(Cc2ccccc2F)C2CCC2)cc1C(=O)[O-] ZINC001599962212 985808093 /nfs/dbraw/zinc/80/80/93/985808093.db2.gz MQRYTIBZWXPTGG-UHFFFAOYSA-N -1 0 316.376 3.715 20 0 DHADRM CC(=O)c1c(C)cc(OCc2ccc(F)cc2C(=O)[O-])cc1C ZINC001589254243 985882469 /nfs/dbraw/zinc/88/24/69/985882469.db2.gz GOMVBHUXZKJZGC-UHFFFAOYSA-N -1 0 316.328 3.922 20 0 DHADRM Cc1[nH]c(S[C@@H](C(=O)[O-])C(C)(C)C)nc1-c1ccccc1 ZINC001599965322 985893508 /nfs/dbraw/zinc/89/35/08/985893508.db2.gz ABISFDIISWYDAD-ZDUSSCGKSA-N -1 0 304.415 3.977 20 0 DHADRM CC(C)OCCCN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000933361906 1015170571 /nfs/dbraw/zinc/17/05/71/1015170571.db2.gz BHJGFJMDDNQVQG-UHFFFAOYSA-N -1 0 320.216 3.586 20 0 DHADRM Cc1cc(CSc2nc(C(F)F)cc(=O)[nH]2)cc(Cl)n1 ZINC000840208044 1015180550 /nfs/dbraw/zinc/18/05/50/1015180550.db2.gz ILEILWDBRYOKKS-UHFFFAOYSA-N -1 0 317.748 3.769 20 0 DHADRM CC(=O)c1ccc(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001589291146 986037061 /nfs/dbraw/zinc/03/70/61/986037061.db2.gz UDHDNAXOZSWXET-STQMWFEESA-N -1 0 310.777 3.812 20 0 DHADRM CCOCc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001596966807 986177158 /nfs/dbraw/zinc/17/71/58/986177158.db2.gz YNUPEMRPMCMTIR-JTQLQIEISA-N -1 0 306.387 3.551 20 0 DHADRM C[C@H]([C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC001589341847 986257980 /nfs/dbraw/zinc/25/79/80/986257980.db2.gz CAAYYMCGFFJVGY-LSDHHAIUSA-N -1 0 319.445 3.808 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)C1CCCC1 ZINC001597008981 986338819 /nfs/dbraw/zinc/33/88/19/986338819.db2.gz HXAOOGRDDYRWKL-LLVKDONJSA-N -1 0 305.374 3.548 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CC1CCCC1 ZINC001597010253 986350103 /nfs/dbraw/zinc/35/01/03/986350103.db2.gz XGGDPBUGEJTJKB-LBPRGKRZSA-N -1 0 319.401 3.938 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1[C@@H](C)CCC1(C)C ZINC001597015768 986370585 /nfs/dbraw/zinc/37/05/85/986370585.db2.gz VNVJNXQFDRLOAG-NSHDSACASA-N -1 0 320.389 3.578 20 0 DHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1 ZINC001597026746 986435697 /nfs/dbraw/zinc/43/56/97/986435697.db2.gz ZWAGOWFDRKMOQN-UHFFFAOYSA-N -1 0 319.744 3.689 20 0 DHADRM CCOc1cc(C)ccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001597030357 986443083 /nfs/dbraw/zinc/44/30/83/986443083.db2.gz CVOURDSNDLFYRF-UHFFFAOYSA-N -1 0 313.353 3.653 20 0 DHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC001589392277 986512865 /nfs/dbraw/zinc/51/28/65/986512865.db2.gz WDSHZICTJJRZLE-ZDUSSCGKSA-N -1 0 321.392 3.613 20 0 DHADRM C[C@@H]1CSC(S[C@H](C(=O)[O-])c2ccccc2Cl)=N1 ZINC001594611126 986603911 /nfs/dbraw/zinc/60/39/11/986603911.db2.gz YCAOOHMVWYAECW-XCBNKYQSSA-N -1 0 301.820 3.690 20 0 DHADRM C[C@@H]1CSC[C@@H]1Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594613397 986619780 /nfs/dbraw/zinc/61/97/80/986619780.db2.gz LUVCFVYPMSZVJM-DOMZBBRYSA-N -1 0 320.458 3.539 20 0 DHADRM C[C@@H]1Cc2ncn(Cc3ccc(C(=O)[O-])c(Cl)c3)c2C[C@H]1C ZINC001594625208 986689310 /nfs/dbraw/zinc/68/93/10/986689310.db2.gz GRJYESQYGDXNDI-GHMZBOCLSA-N -1 0 318.804 3.654 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC001589428384 986700397 /nfs/dbraw/zinc/70/03/97/986700397.db2.gz FBFKSCJCCMYAEH-MRVPVSSYSA-N -1 0 313.756 3.942 20 0 DHADRM C[C@@H](C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(F)(F)F ZINC001589428842 986705105 /nfs/dbraw/zinc/70/51/05/986705105.db2.gz KFGZATQUFQJSHW-QMMMGPOBSA-N -1 0 311.259 3.675 20 0 DHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC001589429337 986709164 /nfs/dbraw/zinc/70/91/64/986709164.db2.gz NPOPVMXHZDWIOB-QMMMGPOBSA-N -1 0 323.270 3.544 20 0 DHADRM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597101074 986713123 /nfs/dbraw/zinc/71/31/23/986713123.db2.gz VKLLUCVLEYSJKD-UHFFFAOYSA-N -1 0 317.360 3.555 20 0 DHADRM C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])c1ccco1 ZINC001589430740 986721364 /nfs/dbraw/zinc/72/13/64/986721364.db2.gz CCFWAOGSXCWNTL-SSDOTTSWSA-N -1 0 311.696 3.513 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)(F)F ZINC001589431166 986725219 /nfs/dbraw/zinc/72/52/19/986725219.db2.gz FZGNJSIPSBTAFO-SECBINFHSA-N -1 0 307.296 3.768 20 0 DHADRM CCOc1ccc(CSCc2cc(C(=O)[O-])ccc2F)nc1 ZINC001597104893 986729822 /nfs/dbraw/zinc/72/98/22/986729822.db2.gz AHMWOPYQOVXTGS-UHFFFAOYSA-N -1 0 321.373 3.751 20 0 DHADRM CCOc1ccc(NC(=O)[C@H](C)[C@@H](C)CC)c(C(=O)[O-])c1F ZINC001597112248 986775298 /nfs/dbraw/zinc/77/52/98/986775298.db2.gz KOZVUZRFNBGWFX-VHSXEESVSA-N -1 0 311.353 3.543 20 0 DHADRM CCOc1ccc([C@@H](C)OC(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001597139992 986882175 /nfs/dbraw/zinc/88/21/75/986882175.db2.gz NBRAQHLPLMVYBG-LLVKDONJSA-N -1 0 318.325 3.603 20 0 DHADRM CCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC001597146196 986909232 /nfs/dbraw/zinc/90/92/32/986909232.db2.gz TVNWGEDKLXSBRA-UHFFFAOYSA-N -1 0 319.382 3.714 20 0 DHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C)C1CCC1 ZINC001589470690 986955360 /nfs/dbraw/zinc/95/53/60/986955360.db2.gz BGRGPNBBSRPWSO-QNTBIXQASA-N -1 0 321.461 3.859 20 0 DHADRM CCOc1cccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001597161337 986966878 /nfs/dbraw/zinc/96/68/78/986966878.db2.gz CBPDUWAHTZCANR-ZDUSSCGKSA-N -1 0 315.369 3.549 20 0 DHADRM C/C=C(\CC)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594676934 987010034 /nfs/dbraw/zinc/01/00/34/987010034.db2.gz ULZKKCRAKUPVEN-TUJADDFYSA-N -1 0 309.793 3.502 20 0 DHADRM C/C=C(/CC)C(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594676875 987010069 /nfs/dbraw/zinc/01/00/69/987010069.db2.gz SKAMHHMKCDOABN-KNVNGTOESA-N -1 0 316.275 3.731 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)CC ZINC001594678020 987019460 /nfs/dbraw/zinc/01/94/60/987019460.db2.gz ZYCWJIOOHQEPIQ-GEZUXRPRSA-N -1 0 322.430 3.990 20 0 DHADRM C/C=C/C=C/C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001594683963 987042691 /nfs/dbraw/zinc/04/26/91/987042691.db2.gz JOTGVBMAUDNQEA-OIVRJXGISA-N -1 0 309.365 3.604 20 0 DHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594685884 987059137 /nfs/dbraw/zinc/05/91/37/987059137.db2.gz HZOILLMVLGJSTM-ZZKXABKFSA-N -1 0 321.804 3.857 20 0 DHADRM CCC(=CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21)CC ZINC001594691013 987086848 /nfs/dbraw/zinc/08/68/48/987086848.db2.gz NXWGRZCVEZFYEY-UHFFFAOYSA-N -1 0 301.386 3.719 20 0 DHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC001589502284 987103713 /nfs/dbraw/zinc/10/37/13/987103713.db2.gz DLLBADHCGGEFEN-UKTARXLSSA-N -1 0 303.402 3.886 20 0 DHADRM CC/C(=C/C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(C)cc1 ZINC001594694192 987106845 /nfs/dbraw/zinc/10/68/45/987106845.db2.gz QIPSMQJRJGJNHU-RAXLEYEMSA-N -1 0 310.353 3.520 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC(F)(F)C2)cc1 ZINC001589504019 987111427 /nfs/dbraw/zinc/11/14/27/987111427.db2.gz JJKKLIIXXVYNKY-GHMZBOCLSA-N -1 0 311.328 3.639 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC001589511756 987142893 /nfs/dbraw/zinc/14/28/93/987142893.db2.gz CSUQHLJYBPNKSC-CYBMUJFWSA-N -1 0 324.380 3.686 20 0 DHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC23CCC(CC2)CC3)cc1 ZINC001589512017 987144992 /nfs/dbraw/zinc/14/49/92/987144992.db2.gz FVYCRIKVJYRXLU-WHENESEISA-N -1 0 316.401 3.719 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC2CCC3(CSC3)CC2)c1 ZINC001589531285 987201436 /nfs/dbraw/zinc/20/14/36/987201436.db2.gz CUPRMNYMICOLMA-GFCCVEGCSA-N -1 0 305.443 3.962 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2nccc3ccccc32)c1 ZINC001589531911 987208361 /nfs/dbraw/zinc/20/83/61/987208361.db2.gz KRVMQYGVSHNKAS-GFCCVEGCSA-N -1 0 320.348 3.675 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NCCc2ccc(F)c(F)c2)c1 ZINC001589532303 987213181 /nfs/dbraw/zinc/21/31/81/987213181.db2.gz PLZJVALQXPBCEW-LLVKDONJSA-N -1 0 305.324 3.808 20 0 DHADRM CC[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729060 987239211 /nfs/dbraw/zinc/23/92/11/987239211.db2.gz DCAJFXSXAAMDRE-XGHPGWEVSA-N -1 0 323.477 3.942 20 0 DHADRM C[C@H](C(=O)[O-])c1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC001589540406 987243411 /nfs/dbraw/zinc/24/34/11/987243411.db2.gz XFUWJBRUWAQUMR-ZDUSSCGKSA-N -1 0 321.380 3.877 20 0 DHADRM CC[C@H](C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-])c1ccccc1 ZINC001594730576 987252265 /nfs/dbraw/zinc/25/22/65/987252265.db2.gz WIYJIMYOFGXZTP-QFBILLFUSA-N -1 0 317.429 3.672 20 0 DHADRM CC[C@@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001594730778 987253012 /nfs/dbraw/zinc/25/30/12/987253012.db2.gz YCBJPZFUSHKFBW-OAHLLOKOSA-N -1 0 323.408 3.667 20 0 DHADRM CC[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccccc1 ZINC001594733837 987256400 /nfs/dbraw/zinc/25/64/00/987256400.db2.gz HMZRORVFBUFHGN-MRXNPFEDSA-N -1 0 317.429 3.864 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001594735943 987272910 /nfs/dbraw/zinc/27/29/10/987272910.db2.gz RWGFLCCPIGALNM-CYBMUJFWSA-N -1 0 319.307 3.795 20 0 DHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589548444 987275443 /nfs/dbraw/zinc/27/54/43/987275443.db2.gz CSCFZGPYAZJKAO-SNVBAGLBSA-N -1 0 320.291 3.510 20 0 DHADRM CCSc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccn1 ZINC001597268894 987312438 /nfs/dbraw/zinc/31/24/38/987312438.db2.gz ZWUXRJPSOOTCIV-UHFFFAOYSA-N -1 0 322.411 3.514 20 0 DHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC001589572565 987345263 /nfs/dbraw/zinc/34/52/63/987345263.db2.gz SMLZMUKOKUFJIP-UHFFFAOYSA-N -1 0 309.431 3.669 20 0 DHADRM CC(C)(C(=O)[O-])C(=O)CSc1c(Cl)cccc1Cl ZINC001589589192 987392938 /nfs/dbraw/zinc/39/29/38/987392938.db2.gz ZCYSEMOFOSQBTQ-UHFFFAOYSA-N -1 0 307.198 3.765 20 0 DHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)OC1CCCCC1)c1ccccc1 ZINC001589598160 987418713 /nfs/dbraw/zinc/41/87/13/987418713.db2.gz HANCCLNNGOOGLX-HNNXBMFYSA-N -1 0 319.401 3.897 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001597319436 987443557 /nfs/dbraw/zinc/44/35/57/987443557.db2.gz MUUJTZOPRIRGHO-ZQIUZPCESA-N -1 0 319.445 3.604 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]cc2C2CC2)cc1 ZINC001589638555 987560738 /nfs/dbraw/zinc/56/07/38/987560738.db2.gz KTFOGROJWLMZJZ-UHFFFAOYSA-N -1 0 312.369 3.507 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cc3cnccc3o2)cc1 ZINC001589640743 987562376 /nfs/dbraw/zinc/56/23/76/987562376.db2.gz DYLMARWXXSTWSP-UHFFFAOYSA-N -1 0 310.353 3.802 20 0 DHADRM CCc1[nH]c(C(=O)Nc2ccccc2C(C)C)c(C)c1C(=O)[O-] ZINC001597374502 987562497 /nfs/dbraw/zinc/56/24/97/987562497.db2.gz PYAGJWMLOGTXIP-UHFFFAOYSA-N -1 0 314.385 3.959 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001597449330 987832644 /nfs/dbraw/zinc/83/26/44/987832644.db2.gz AVUFAFURKOTPHT-LSDHHAIUSA-N -1 0 301.386 3.712 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@]1(C)CCc2ccccc21 ZINC001597449374 987832822 /nfs/dbraw/zinc/83/28/22/987832822.db2.gz BUSNCWLQEBNGNC-HXUWFJFHSA-N -1 0 323.392 3.790 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCCC1(F)F ZINC001597450613 987840465 /nfs/dbraw/zinc/84/04/65/987840465.db2.gz YWJOZNCTQSXSID-LBPRGKRZSA-N -1 0 311.328 3.711 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC001597452780 987851751 /nfs/dbraw/zinc/85/17/51/987851751.db2.gz XQFPMSUAZKYFOM-BLLLJJGKSA-N -1 0 318.417 3.990 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)C[C@H]1C ZINC001597457198 987871299 /nfs/dbraw/zinc/87/12/99/987871299.db2.gz RGLFJUSDEGUHEL-VXGBXAGGSA-N -1 0 304.390 3.600 20 0 DHADRM CS[C@@H](C)CCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599784904 987905137 /nfs/dbraw/zinc/90/51/37/987905137.db2.gz YIBNDYQQMGYKBS-ZETCQYMHSA-N -1 0 301.433 3.533 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589728847 987937500 /nfs/dbraw/zinc/93/75/00/987937500.db2.gz PKXKWYDIYMXYMG-AYPKIECRSA-N -1 0 319.401 3.712 20 0 DHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001589729062 987939636 /nfs/dbraw/zinc/93/96/36/987939636.db2.gz ROSKDHILSXSJAO-RAFNIBEQSA-N -1 0 324.465 3.534 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001589729386 987943969 /nfs/dbraw/zinc/94/39/69/987943969.db2.gz YBTMMUIUGUJOJP-CVEARBPZSA-N -1 0 317.429 3.967 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)c2ccccc21 ZINC001589735897 987989323 /nfs/dbraw/zinc/98/93/23/987989323.db2.gz YRIIYYDNUJIPGS-ZDUSSCGKSA-N -1 0 312.369 3.503 20 0 DHADRM CC(C)(C)/C=C/C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589737810 987997268 /nfs/dbraw/zinc/99/72/68/987997268.db2.gz CURZBEYENHRWGE-MDZDMXLPSA-N -1 0 301.386 3.656 20 0 DHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2cc(C(=O)[O-])no2)C1 ZINC001589738803 988007334 /nfs/dbraw/zinc/00/73/34/988007334.db2.gz WGZVPQLCKUKFKO-CYBMUJFWSA-N -1 0 314.385 3.598 20 0 DHADRM CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589740738 988010201 /nfs/dbraw/zinc/01/02/01/988010201.db2.gz FHJRNXFSVNPART-HOCLYGCPSA-N -1 0 317.429 3.502 20 0 DHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@H]1c1ccncc1 ZINC000130336257 1015353370 /nfs/dbraw/zinc/35/33/70/1015353370.db2.gz ZYFUGUKETHUMCD-HNNXBMFYSA-N -1 0 314.360 3.684 20 0 DHADRM CCc1cc2c(nc(C)nc2NCC(CC)(CC)C(=O)[O-])s1 ZINC001597489554 988011698 /nfs/dbraw/zinc/01/16/98/988011698.db2.gz LGLCJTPJRCBBKQ-UHFFFAOYSA-N -1 0 321.446 3.865 20 0 DHADRM CCc1ccc(-c2nnc(Cc3cccc(C(=O)[O-])c3)o2)cc1 ZINC001597491765 988020119 /nfs/dbraw/zinc/02/01/19/988020119.db2.gz CARRQJZOLYGOHL-UHFFFAOYSA-N -1 0 308.337 3.588 20 0 DHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000581830021 1015357726 /nfs/dbraw/zinc/35/77/26/1015357726.db2.gz VMQASCJNMRAPAP-YGRLFVJLSA-N -1 0 320.389 3.564 20 0 DHADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)c2ccsc2)c1 ZINC001597503763 988073163 /nfs/dbraw/zinc/07/31/63/988073163.db2.gz XMXWOLKCRWRGJP-JTQLQIEISA-N -1 0 304.367 3.718 20 0 DHADRM CC(C)(C)C[C@@H](OC(=O)[C@H]1CCSc2ccccc21)C(=O)[O-] ZINC001589759926 988078984 /nfs/dbraw/zinc/07/89/84/988078984.db2.gz HDDJTORYZGMOLH-QWHCGFSZSA-N -1 0 322.426 3.699 20 0 DHADRM CCc1ccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597511951 988094832 /nfs/dbraw/zinc/09/48/32/988094832.db2.gz LIUOFZVZICNQFX-NHYWBVRUSA-N -1 0 318.394 3.783 20 0 DHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474435685 1015360127 /nfs/dbraw/zinc/36/01/27/1015360127.db2.gz CKIDQCILIUJJCX-JTQLQIEISA-N -1 0 323.751 3.899 20 0 DHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001589764190 988098393 /nfs/dbraw/zinc/09/83/93/988098393.db2.gz ANXASZGUYNKYGA-NSHDSACASA-N -1 0 324.446 3.557 20 0 DHADRM CC(C)(C)C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C1(C)C ZINC001589764596 988105354 /nfs/dbraw/zinc/10/53/54/988105354.db2.gz PEZVCXAPKOYCKU-CYBMUJFWSA-N -1 0 311.466 3.941 20 0 DHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444765 1015363274 /nfs/dbraw/zinc/36/32/74/1015363274.db2.gz IVSSFXKZFXIGNH-RNCFNFMXSA-N -1 0 315.772 3.719 20 0 DHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2cccc(C(=O)[O-])n2)o1 ZINC001597517437 988132632 /nfs/dbraw/zinc/13/26/32/988132632.db2.gz MTRIABXEKAMPDY-WFASDCNBSA-N -1 0 314.385 3.913 20 0 DHADRM CSCCCCCCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599799291 988148675 /nfs/dbraw/zinc/14/86/75/988148675.db2.gz CAKWOZLUIGSNHW-UHFFFAOYSA-N -1 0 324.446 3.738 20 0 DHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001589788979 988173999 /nfs/dbraw/zinc/17/39/99/988173999.db2.gz KVXOUWMQMVQPTF-UHFFFAOYSA-N -1 0 312.369 3.621 20 0 DHADRM CCc1ccc(F)cc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001597530728 988187725 /nfs/dbraw/zinc/18/77/25/988187725.db2.gz LHXVCYPXLGOGKL-UHFFFAOYSA-N -1 0 323.270 3.617 20 0 DHADRM CCc1ccc(N(CC)C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001597531806 988190442 /nfs/dbraw/zinc/19/04/42/988190442.db2.gz AUCPZYADIMZPMN-MDZDMXLPSA-N -1 0 313.353 3.607 20 0 DHADRM CSCc1c2ccccc2oc1C(=O)O[C@@H](C(=O)[O-])C(C)C ZINC001599801968 988192345 /nfs/dbraw/zinc/19/23/45/988192345.db2.gz NRHXWLBMPPMIHS-CYBMUJFWSA-N -1 0 322.382 3.562 20 0 DHADRM CCc1ccc(N(Cc2cncc(C(=O)[O-])c2)CC2CC2)cc1 ZINC001597532523 988192936 /nfs/dbraw/zinc/19/29/36/988192936.db2.gz GZSMCGWKFFSTSS-UHFFFAOYSA-N -1 0 310.397 3.759 20 0 DHADRM CSc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)co1 ZINC001599806930 988270817 /nfs/dbraw/zinc/27/08/17/988270817.db2.gz AFYUCNAYRMUWPT-UHFFFAOYSA-N -1 0 311.746 3.605 20 0 DHADRM CCc1ccc(NCc2nc(-c3ccccc3)no2)c(C(=O)[O-])c1 ZINC001597551053 988271275 /nfs/dbraw/zinc/27/12/75/988271275.db2.gz ABHPJWSQAYFCBJ-UHFFFAOYSA-N -1 0 323.352 3.609 20 0 DHADRM CCc1ccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1OC ZINC001597551742 988275958 /nfs/dbraw/zinc/27/59/58/988275958.db2.gz LMFXVWNLIWRXDP-NSHDSACASA-N -1 0 300.358 3.524 20 0 DHADRM CCc1ccc(NCc2ccc(C(=O)[O-])cc2C(F)(F)F)nc1 ZINC001597552348 988279920 /nfs/dbraw/zinc/27/99/20/988279920.db2.gz VLROTDHSUSVTEE-UHFFFAOYSA-N -1 0 324.302 3.973 20 0 DHADRM CCc1ccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001597555856 988283335 /nfs/dbraw/zinc/28/33/35/988283335.db2.gz BQRUNYLYVVVGTC-UHFFFAOYSA-N -1 0 304.729 3.820 20 0 DHADRM CSc1cc(NCc2ccc(C(=O)[O-])cn2)ccc1Cl ZINC001599809801 988314474 /nfs/dbraw/zinc/31/44/74/988314474.db2.gz RJXIBDPSPAYLRW-UHFFFAOYSA-N -1 0 308.790 3.767 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001599811244 988338137 /nfs/dbraw/zinc/33/81/37/988338137.db2.gz AWUASBAZINPDNI-OAHLLOKOSA-N -1 0 316.378 3.700 20 0 DHADRM CSc1ccc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001599811243 988338243 /nfs/dbraw/zinc/33/82/43/988338243.db2.gz AWUASBAZINPDNI-HNNXBMFYSA-N -1 0 316.378 3.700 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1cccs1 ZINC001597571332 988350312 /nfs/dbraw/zinc/35/03/12/988350312.db2.gz CKTYDMDQFCWZDD-UHFFFAOYSA-N -1 0 303.383 3.580 20 0 DHADRM CCc1cccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])n1 ZINC001597578891 988376295 /nfs/dbraw/zinc/37/62/95/988376295.db2.gz LZRSQPFQWZGPGV-UHFFFAOYSA-N -1 0 321.332 3.715 20 0 DHADRM CSc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001599813328 988377630 /nfs/dbraw/zinc/37/76/30/988377630.db2.gz YISVGIWUUVWNHJ-AWEZNQCLSA-N -1 0 307.440 3.728 20 0 DHADRM CSc1ccc(Cl)cc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001599814822 988403383 /nfs/dbraw/zinc/40/33/83/988403383.db2.gz UCSVDANCUXFDAG-UHFFFAOYSA-N -1 0 310.806 3.711 20 0 DHADRM O=C([O-])c1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000013094836 1015382249 /nfs/dbraw/zinc/38/22/49/1015382249.db2.gz OCGDAGSMOXMOTH-UHFFFAOYSA-N -1 0 319.357 3.645 20 0 DHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(F)c1C ZINC001597591712 988415988 /nfs/dbraw/zinc/41/59/88/988415988.db2.gz HBYKRDUSWFTAIA-UHFFFAOYSA-N -1 0 301.317 3.647 20 0 DHADRM CSc1ccc(NC(=O)N2C[C@@H](C)CC2(C)C)cc1C(=O)[O-] ZINC001599816572 988436719 /nfs/dbraw/zinc/43/67/19/988436719.db2.gz HTUASZAPJCIRKF-JTQLQIEISA-N -1 0 322.430 3.759 20 0 DHADRM CSc1ccc(NC(=O)N(C)CC2CCCC2)cc1C(=O)[O-] ZINC001599816775 988440520 /nfs/dbraw/zinc/44/05/20/988440520.db2.gz NBKAERRTTOGVMD-UHFFFAOYSA-N -1 0 322.430 3.761 20 0 DHADRM CCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001597595733 988444514 /nfs/dbraw/zinc/44/45/14/988444514.db2.gz YKVPABZFCHHEIU-MRXNPFEDSA-N -1 0 318.417 3.652 20 0 DHADRM CSc1ccc(NC(=O)NC2CCCCCC2)cc1C(=O)[O-] ZINC001599817780 988457248 /nfs/dbraw/zinc/45/72/48/988457248.db2.gz KIPDWCIPTBEQJD-UHFFFAOYSA-N -1 0 322.430 3.951 20 0 DHADRM CSc1ccc(NC(=O)N[C@@H](C(C)C)C2CC2)cc1C(=O)[O-] ZINC001599818318 988466500 /nfs/dbraw/zinc/46/65/00/988466500.db2.gz QRZMDBWFKOKMOU-AWEZNQCLSA-N -1 0 322.430 3.663 20 0 DHADRM CSc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC001599818421 988469302 /nfs/dbraw/zinc/46/93/02/988469302.db2.gz GFECUYDPHKTNJU-QWRGUYRKSA-N -1 0 322.430 3.664 20 0 DHADRM CCc1ccccc1CCOc1ccc(C(=O)[O-])cc1OC ZINC001597609944 988502410 /nfs/dbraw/zinc/50/24/10/988502410.db2.gz YVZLHFARHRXNQD-UHFFFAOYSA-N -1 0 300.354 3.577 20 0 DHADRM CCc1ccnc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1 ZINC001597622724 988563587 /nfs/dbraw/zinc/56/35/87/988563587.db2.gz AQLOZPXHLZHGQA-UHFFFAOYSA-N -1 0 320.348 3.748 20 0 DHADRM CCc1cnc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001597627234 988582120 /nfs/dbraw/zinc/58/21/20/988582120.db2.gz JNQXOHAGOLWMSB-AWEZNQCLSA-N -1 0 324.833 3.617 20 0 DHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1nc(C2CC2)cs1 ZINC000178180530 1015403202 /nfs/dbraw/zinc/40/32/02/1015403202.db2.gz YWSFYICBHKROTP-BQYQJAHWSA-N -1 0 324.402 3.572 20 0 DHADRM CC(C)(C)OC(=O)CSCc1c(Cl)cccc1C(=O)[O-] ZINC001589901186 988607622 /nfs/dbraw/zinc/60/76/22/988607622.db2.gz IHLQWVISDNMAPV-UHFFFAOYSA-N -1 0 316.806 3.613 20 0 DHADRM CCc1cncc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001597633608 988607864 /nfs/dbraw/zinc/60/78/64/988607864.db2.gz HCEYPVPWLMLXCL-UHFFFAOYSA-N -1 0 318.760 3.556 20 0 DHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599830334 988662488 /nfs/dbraw/zinc/66/24/88/988662488.db2.gz PFTYMVHSLSEGEG-RHSMWYFYSA-N -1 0 317.429 3.578 20 0 DHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCCCCC1 ZINC001599839373 988798440 /nfs/dbraw/zinc/79/84/40/988798440.db2.gz IRDMCULSOZJHFK-SNVBAGLBSA-N -1 0 310.419 3.927 20 0 DHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CCCCCC1 ZINC001599840752 988824095 /nfs/dbraw/zinc/82/40/95/988824095.db2.gz SVJWTUGCODZPDN-LLVKDONJSA-N -1 0 307.365 3.613 20 0 DHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc2c(c1)CCC2 ZINC001599841133 988831715 /nfs/dbraw/zinc/83/17/15/988831715.db2.gz NHGRALAJUKEFAQ-BZNIZROVSA-N -1 0 301.411 3.713 20 0 DHADRM c1ccc(-c2nc(=NCc3ccc4c(n3)CCCC4)s[n-]2)cc1 ZINC000519519837 1015455867 /nfs/dbraw/zinc/45/58/67/1015455867.db2.gz SPHKXSJHOZVEAU-UHFFFAOYSA-N -1 0 322.437 3.513 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2c1cccc2Cl ZINC001597766124 989208019 /nfs/dbraw/zinc/20/80/19/989208019.db2.gz DGHSVGYTWCIHSD-UHFFFAOYSA-N -1 0 305.761 3.756 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2ccccc2Cl)CC1 ZINC001597767131 989217201 /nfs/dbraw/zinc/21/72/01/989217201.db2.gz BLMZBSGKEKONSC-UHFFFAOYSA-N -1 0 319.788 3.973 20 0 DHADRM CCc1oc(C(=O)[O-])cc1CSC[C@@H]1CC1(Cl)Cl ZINC001597772191 989235094 /nfs/dbraw/zinc/23/50/94/989235094.db2.gz NGPPMMVVSVOSNK-QMMMGPOBSA-N -1 0 309.214 3.967 20 0 DHADRM CCn1c2ccccc2nc1S[C@H](C)c1nc(C(=O)[O-])co1 ZINC001597862019 989640090 /nfs/dbraw/zinc/64/00/90/989640090.db2.gz KKCOJEVIMGGAQA-SECBINFHSA-N -1 0 317.370 3.596 20 0 DHADRM CC(C)(C)O[C@@H]1C[C@@H](Nc2cccc(CC(=O)[O-])c2)C1(C)C ZINC001590379594 989890715 /nfs/dbraw/zinc/89/07/15/989890715.db2.gz VSPVPPFCQSQXRJ-HUUCEWRRSA-N -1 0 305.418 3.708 20 0 DHADRM CC(C)(C)OCc1ccccc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001590399133 989934250 /nfs/dbraw/zinc/93/42/50/989934250.db2.gz WYSDVPDLCKPBSB-UHFFFAOYSA-N -1 0 302.374 3.640 20 0 DHADRM CC(C)(C)Oc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001590420591 989964751 /nfs/dbraw/zinc/96/47/51/989964751.db2.gz VVHRAUUKBYDSBW-OLZOCXBDSA-N -1 0 319.401 3.693 20 0 DHADRM CC(C)(C)Oc1cccc(COC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001590420671 989966048 /nfs/dbraw/zinc/96/60/48/989966048.db2.gz XZDOWXRAKHLJLZ-UHFFFAOYSA-N -1 0 318.325 3.512 20 0 DHADRM CC(C)(C)SCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590429800 989986894 /nfs/dbraw/zinc/98/68/94/989986894.db2.gz XDOHUSOPCIYPEW-GFCCVEGCSA-N -1 0 316.806 3.541 20 0 DHADRM CC(C)(C)[C@H](NCc1ncc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC001590444906 990007675 /nfs/dbraw/zinc/00/76/75/990007675.db2.gz GLEUWCDYMRWZGY-CQSZACIVSA-N -1 0 322.792 3.584 20 0 DHADRM CC(C)(C)c1cc(COc2ccc(C(=O)[O-])cc2Cl)no1 ZINC001590463617 990038808 /nfs/dbraw/zinc/03/88/08/990038808.db2.gz NVQOWLWBUFDWBO-UHFFFAOYSA-N -1 0 309.749 3.903 20 0 DHADRM CC(C)(C)c1cc(CSCc2nc(C(=O)[O-])cs2)no1 ZINC001590464199 990040998 /nfs/dbraw/zinc/04/09/98/990040998.db2.gz YBJRDVYXHAPNCF-UHFFFAOYSA-N -1 0 312.416 3.560 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590505626 990121225 /nfs/dbraw/zinc/12/12/25/990121225.db2.gz NEROMUCMBWJPAD-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/34/67/40/990346740.db2.gz VYQWBQVHJQMVDB-UHFFFAOYSA-N -1 0 316.382 3.739 20 0 DHADRM CC(C)(CCC(=O)OCC1(CC(=O)[O-])CC1)c1ccccc1 ZINC001590664738 990363415 /nfs/dbraw/zinc/36/34/15/990363415.db2.gz KNAGCUXSVPMRRR-UHFFFAOYSA-N -1 0 304.386 3.543 20 0 DHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)C1(C)C ZINC001590915114 990901980 /nfs/dbraw/zinc/90/19/80/990901980.db2.gz PPGLZVRNRFRSGP-LPMFXHHGSA-N -1 0 321.461 3.765 20 0 DHADRM CC(C)=C[C@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001590915633 990904996 /nfs/dbraw/zinc/90/49/96/990904996.db2.gz ZJFNZHFTMMLYLH-KBPBESRZSA-N -1 0 307.434 3.519 20 0 DHADRM CC(C)=CCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590921443 990910631 /nfs/dbraw/zinc/91/06/31/990910631.db2.gz HCJPWAROLQSWMD-LLVKDONJSA-N -1 0 309.793 3.903 20 0 DHADRM CC(C)C(=O)Nc1ccc(OCc2csc(C(=O)[O-])c2)cc1 ZINC001590943735 990983064 /nfs/dbraw/zinc/98/30/64/990983064.db2.gz BDYKAEDQBATWOZ-UHFFFAOYSA-N -1 0 319.382 3.620 20 0 DHADRM CC(C)[C@H](C)N(C(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC001590970072 991100902 /nfs/dbraw/zinc/10/09/02/991100902.db2.gz MQMRMHDHLBUIBR-ZDUSSCGKSA-N -1 0 315.369 3.598 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001590981531 991142152 /nfs/dbraw/zinc/14/21/52/991142152.db2.gz WDMPZJDBNYSMGX-MRXNPFEDSA-N -1 0 323.477 3.990 20 0 DHADRM COc1ccccc1CSCc1ccc(C(=O)[O-])cc1F ZINC001599711608 991380067 /nfs/dbraw/zinc/38/00/67/991380067.db2.gz DGWKUDHJUKCUBS-UHFFFAOYSA-N -1 0 306.358 3.966 20 0 DHADRM CC(C)[C@]1(C)C[C@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591061294 991498093 /nfs/dbraw/zinc/49/80/93/991498093.db2.gz GBSKLRZTVHBDDZ-FCEWJHQRSA-N -1 0 316.397 3.988 20 0 DHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001591081755 991593701 /nfs/dbraw/zinc/59/37/01/991593701.db2.gz KVMZKTRPKKALJO-HIFRSBDPSA-N -1 0 304.390 3.721 20 0 DHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001591087477 991608844 /nfs/dbraw/zinc/60/88/44/991608844.db2.gz NVFALKQFVAXIIN-LLVKDONJSA-N -1 0 324.808 3.938 20 0 DHADRM CC(C)C[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001591130115 991820733 /nfs/dbraw/zinc/82/07/33/991820733.db2.gz GBXDWMVKYVPBCC-ZBFHGGJFSA-N -1 0 311.466 3.989 20 0 DHADRM CC(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001591130068 991820773 /nfs/dbraw/zinc/82/07/73/991820773.db2.gz FDWHVTBAOIOVOC-FZMZJTMJSA-N -1 0 311.809 3.654 20 0 DHADRM CC(C)C[C@H](C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001591130096 991820827 /nfs/dbraw/zinc/82/08/27/991820827.db2.gz FPMIAKKXQPKCIO-BLLLJJGKSA-N -1 0 304.386 3.988 20 0 DHADRM CC(C)C[C@H](C)CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591133183 991832935 /nfs/dbraw/zinc/83/29/35/991832935.db2.gz GQRNGIKONJPYJI-HNNXBMFYSA-N -1 0 319.445 3.951 20 0 DHADRM CC(C)C[C@@H](C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001591137504 991843592 /nfs/dbraw/zinc/84/35/92/991843592.db2.gz DFWOSFKTPNFSSM-RISCZKNCSA-N -1 0 311.353 3.502 20 0 DHADRM CC(C)C[C@H](C)OC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001591138136 991854105 /nfs/dbraw/zinc/85/41/05/991854105.db2.gz QTPSFWWBHFHAKI-ZFWWWQNUSA-N -1 0 307.390 3.753 20 0 DHADRM COc1nsc(CNc2ccc(C3CC3)c(C)c2)c1C(=O)[O-] ZINC001599741083 991858341 /nfs/dbraw/zinc/85/83/41/991858341.db2.gz CKCOCOWKEBWMII-UHFFFAOYSA-N -1 0 318.398 3.648 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001591142824 991867679 /nfs/dbraw/zinc/86/76/79/991867679.db2.gz JRUWUQYSPNDFHB-LJQANCHMSA-N -1 0 319.445 3.811 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591142821 991867760 /nfs/dbraw/zinc/86/77/60/991867760.db2.gz JQFPAYHXNYXBCO-HNNXBMFYSA-N -1 0 311.466 3.798 20 0 DHADRM CC(C)CC(CC(C)C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001591143780 991871858 /nfs/dbraw/zinc/87/18/58/991871858.db2.gz VEPUMUJQCAFDIS-INIZCTEOSA-N -1 0 311.466 3.845 20 0 DHADRM CC(C)C[C@H](CNC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001591153553 991896885 /nfs/dbraw/zinc/89/68/85/991896885.db2.gz BNQZCEZJQSBWCH-LLVKDONJSA-N -1 0 311.447 3.522 20 0 DHADRM CC(C)C[C@H](CNc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC001591163101 991929554 /nfs/dbraw/zinc/92/95/54/991929554.db2.gz ZAAQGKPWFFOQLG-GFCCVEGCSA-N -1 0 311.451 3.745 20 0 DHADRM CC(C)C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccs1 ZINC001591178668 991977074 /nfs/dbraw/zinc/97/70/74/991977074.db2.gz SLZDXIKLLQWNRG-DZGCQCFKSA-N -1 0 304.415 3.646 20 0 DHADRM CC(C)CC1(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CCCC1 ZINC001591191994 992006555 /nfs/dbraw/zinc/00/65/55/992006555.db2.gz JUSPAYMKHZAXRT-DNVCBOLYSA-N -1 0 321.461 3.696 20 0 DHADRM CC(C)C[C@@]1(C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591192518 992007841 /nfs/dbraw/zinc/00/78/41/992007841.db2.gz PXPUTRSLTNPBOG-OAHLLOKOSA-N -1 0 310.419 3.879 20 0 DHADRM CC(C)C[C@]1(C)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591192517 992008403 /nfs/dbraw/zinc/00/84/03/992008403.db2.gz PXPUTRSLTNPBOG-HNNXBMFYSA-N -1 0 310.419 3.879 20 0 DHADRM CC(C)CC1(C)CCN(C(=O)c2ccsc2CC(=O)[O-])CC1 ZINC001591196516 992011948 /nfs/dbraw/zinc/01/19/48/992011948.db2.gz FEITZZRPTNFVFO-UHFFFAOYSA-N -1 0 323.458 3.664 20 0 DHADRM CC(C)CC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(C)(C)C ZINC001591222086 992091751 /nfs/dbraw/zinc/09/17/51/992091751.db2.gz QUSVGIZUQAVSBV-LOWQCSRCSA-N -1 0 321.417 3.958 20 0 DHADRM CC(C)CC[C@H]1CCCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001591227376 992098706 /nfs/dbraw/zinc/09/87/06/992098706.db2.gz FBFUQMVGAXTWEP-QGZVFWFLSA-N -1 0 317.429 3.745 20 0 DHADRM CC(C)CCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591228291 992102790 /nfs/dbraw/zinc/10/27/90/992102790.db2.gz ATIGPLBGQGVXRQ-UHFFFAOYSA-N -1 0 301.745 3.942 20 0 DHADRM CC(C)CCCCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001591229068 992108877 /nfs/dbraw/zinc/10/88/77/992108877.db2.gz MNANGSJYHBXFDY-UHFFFAOYSA-N -1 0 305.418 3.706 20 0 DHADRM CC(C)CCCCC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001591237027 992120875 /nfs/dbraw/zinc/12/08/75/992120875.db2.gz TVZQOZBHGKTZJY-UHFFFAOYSA-N -1 0 324.446 3.803 20 0 DHADRM CC(C)CCCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001591237073 992122126 /nfs/dbraw/zinc/12/21/26/992122126.db2.gz XJMJIAXBLCAEAX-KRWDZBQOSA-N -1 0 305.418 3.877 20 0 DHADRM CC(C)CCN(C(=O)Nc1cccc(C(=O)[O-])n1)C1CCCC1 ZINC001591239843 992128245 /nfs/dbraw/zinc/12/82/45/992128245.db2.gz ATQCHIMILAUJIS-UHFFFAOYSA-N -1 0 319.405 3.602 20 0 DHADRM CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591245331 992135328 /nfs/dbraw/zinc/13/53/28/992135328.db2.gz NWOZPNAAWVAIGS-UHFFFAOYSA-N -1 0 321.421 3.706 20 0 DHADRM CC(C)CCOc1ccc(-c2nnc([C@@H](C)CC(=O)[O-])o2)cc1 ZINC001591259322 992161683 /nfs/dbraw/zinc/16/16/83/992161683.db2.gz HPTRLKOAXVJGDJ-LBPRGKRZSA-N -1 0 318.373 3.740 20 0 DHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](C)c1cccc(F)c1 ZINC001591310422 992272210 /nfs/dbraw/zinc/27/22/10/992272210.db2.gz YXSUTKFUXXUCGR-ZDUSSCGKSA-N -1 0 323.408 3.525 20 0 DHADRM CS[C@H](C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001599779593 992347622 /nfs/dbraw/zinc/34/76/22/992347622.db2.gz BTVFFJBXKBHIQA-OLZOCXBDSA-N -1 0 310.415 3.523 20 0 DHADRM CS[C@H](C(=O)Nc1scc(C)c1C(=O)[O-])c1ccccc1 ZINC001599781375 992368102 /nfs/dbraw/zinc/36/81/02/992368102.db2.gz QFBNXDYOGCKGGK-LBPRGKRZSA-N -1 0 321.423 3.798 20 0 DHADRM CS[C@@H](C)CCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001599782424 992382633 /nfs/dbraw/zinc/38/26/33/992382633.db2.gz BEWSGKRXJGWXAH-ZETCQYMHSA-N -1 0 319.785 3.648 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2c1CCCC2 ZINC001598511970 992574185 /nfs/dbraw/zinc/57/41/85/992574185.db2.gz HXBVHIIWCVHJEF-UHFFFAOYSA-N -1 0 323.392 3.536 20 0 DHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC001591488592 992615907 /nfs/dbraw/zinc/61/59/07/992615907.db2.gz GRHZHDVZWRGCLD-CQSZACIVSA-N -1 0 319.445 3.748 20 0 DHADRM CC(C)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccsc1 ZINC001591543496 992727198 /nfs/dbraw/zinc/72/71/98/992727198.db2.gz IWTQDDKYEXUBBW-RWMBFGLXSA-N -1 0 309.431 3.547 20 0 DHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC001591543538 992727643 /nfs/dbraw/zinc/72/76/43/992727643.db2.gz LPWBREIZBYVLDC-LBPRGKRZSA-N -1 0 301.342 3.590 20 0 DHADRM CC(C)N(C)c1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591561877 992767091 /nfs/dbraw/zinc/76/70/91/992767091.db2.gz FHEBOLQUFRTQES-UHFFFAOYSA-N -1 0 316.376 3.981 20 0 DHADRM CN(OCc1ccccc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598540227 992890658 /nfs/dbraw/zinc/89/06/58/992890658.db2.gz UDFHIHAKFJKYOA-OAHLLOKOSA-N -1 0 305.761 3.529 20 0 DHADRM Cc1cnc([C@H](C)N=c2nc(C3CCCCC3)[n-]s2)s1 ZINC000581996218 1015771350 /nfs/dbraw/zinc/77/13/50/1015771350.db2.gz HCXOVCOOGPYYPF-JTQLQIEISA-N -1 0 308.476 3.946 20 0 DHADRM COc1ccc(F)cc1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599584658 993596227 /nfs/dbraw/zinc/59/62/27/993596227.db2.gz PNZFLDSPZAKFBV-LLVKDONJSA-N -1 0 303.333 3.635 20 0 DHADRM COc1ccc(NC(=O)[C@H](F)CC2CCCCC2)c(C(=O)[O-])c1 ZINC001599590623 993677528 /nfs/dbraw/zinc/67/75/28/993677528.db2.gz OVGSHXMCYYCKJM-CQSZACIVSA-N -1 0 323.364 3.640 20 0 DHADRM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cc2ccccc2s1 ZINC001593194724 994140604 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COc1cccc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599658058 994612614 /nfs/dbraw/zinc/61/26/14/994612614.db2.gz RLVRTSAIOWZMRD-UHFFFAOYSA-N -1 0 321.279 3.583 20 0 DHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1F ZINC001593288458 994656928 /nfs/dbraw/zinc/65/69/28/994656928.db2.gz KFJOHPLVRUBFHG-SECBINFHSA-N -1 0 309.287 3.653 20 0 DHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1F ZINC001593295485 994691093 /nfs/dbraw/zinc/69/10/93/994691093.db2.gz FGEWIJUWUMBTJB-VIFPVBQESA-N -1 0 309.287 3.653 20 0 DHADRM C[C@H](NCc1nc(C(C)(C)C)cs1)c1cc(C(=O)[O-])co1 ZINC001593311836 994788886 /nfs/dbraw/zinc/78/88/86/994788886.db2.gz JZFVHDQXGGDVSE-VIFPVBQESA-N -1 0 308.403 3.583 20 0 DHADRM C[C@@H](NCc1coc(-c2cccs2)n1)c1cc(C(=O)[O-])co1 ZINC001593312235 994798053 /nfs/dbraw/zinc/79/80/53/994798053.db2.gz QZOLOBASYSDWPA-SECBINFHSA-N -1 0 318.354 3.545 20 0 DHADRM COc1cccc(CS[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001599676040 994899117 /nfs/dbraw/zinc/89/91/17/994899117.db2.gz 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995024508 /nfs/dbraw/zinc/02/45/08/995024508.db2.gz SVRMBIKWFCFURB-UFBFGSQYSA-N -1 0 322.817 3.833 20 0 DHADRM C[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)C1CCCCC1 ZINC001593366173 995048891 /nfs/dbraw/zinc/04/88/91/995048891.db2.gz ULLGTRCBHQPLQU-LBPRGKRZSA-N -1 0 301.390 3.502 20 0 DHADRM C[C@H](Nc1ccccc1OCCF)c1cc(C(=O)[O-])cs1 ZINC001593368048 995061678 /nfs/dbraw/zinc/06/16/78/995061678.db2.gz UCWONWOKURBOHG-JTQLQIEISA-N -1 0 309.362 3.968 20 0 DHADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC001593373250 995064571 /nfs/dbraw/zinc/06/45/71/995064571.db2.gz AFJYXROTEBICIA-JTQLQIEISA-N -1 0 311.316 3.640 20 0 DHADRM COC(=O)[C@H](Sc1cccc(F)c1)c1cccc(C(=O)[O-])c1 ZINC001598710804 995346128 /nfs/dbraw/zinc/34/61/28/995346128.db2.gz HOJPFOUCKPYLOY-CQSZACIVSA-N -1 0 320.341 3.530 20 0 DHADRM C[C@H](OC(=O)/C=C\C1CCCCCC1)c1nc(C(=O)[O-])co1 ZINC001593515535 995540596 /nfs/dbraw/zinc/54/05/96/995540596.db2.gz NMLXLSVETAADCB-IQQGHNRFSA-N -1 0 307.346 3.504 20 0 DHADRM 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ZIBFRSJLBJGJGT-GHMZBOCLSA-N -1 0 305.324 3.592 20 0 DHADRM O=C([O-])c1ccc(Nc2cc(=O)[nH]c3ccccc23)c(F)c1F ZINC001212511046 1020516848 /nfs/dbraw/zinc/51/68/48/1020516848.db2.gz PPTLIFKJWPZKQV-UHFFFAOYSA-N -1 0 316.263 3.660 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2nccn21 ZINC000765862729 1020529733 /nfs/dbraw/zinc/52/97/33/1020529733.db2.gz MGKCKZMYPCQPKZ-UHFFFAOYSA-N -1 0 322.151 3.599 20 0 DHADRM O=C([O-])c1ccc(Nc2cn3c(cccc3Cl)n2)c(F)c1F ZINC001212512409 1020577756 /nfs/dbraw/zinc/57/77/56/1020577756.db2.gz KSQCOQGNIUZIKC-UHFFFAOYSA-N -1 0 323.686 3.708 20 0 DHADRM O=C([O-])c1ccc(Nc2cccc3cnccc32)c(F)c1F ZINC001212512443 1020578165 /nfs/dbraw/zinc/57/81/65/1020578165.db2.gz MPSNLSXVNRFXDA-UHFFFAOYSA-N -1 0 300.264 3.955 20 0 DHADRM O=C([O-])c1ccc(Nc2c(F)cc(F)cc2F)c(F)c1F ZINC001212513119 1020583240 /nfs/dbraw/zinc/58/32/40/1020583240.db2.gz AGSRFEPYVCORMP-UHFFFAOYSA-N -1 0 303.186 3.824 20 0 DHADRM CC(C)(O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212514330 1020587659 /nfs/dbraw/zinc/58/76/59/1020587659.db2.gz NOLUXXNAKAYYKS-UHFFFAOYSA-N -1 0 307.296 3.634 20 0 DHADRM O=C([O-])c1ccc(Nc2ccccc2-n2cccn2)c(F)c1F ZINC001212513580 1020587785 /nfs/dbraw/zinc/58/77/85/1020587785.db2.gz YFNOMPHLJDQPCB-UHFFFAOYSA-N -1 0 315.279 3.592 20 0 DHADRM CCN(CC(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000734358324 1020594942 /nfs/dbraw/zinc/59/49/42/1020594942.db2.gz REPYPVGFXSSOID-UHFFFAOYSA-N -1 0 304.777 3.511 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(CO)cc2Cl)c(F)c1F ZINC001212516586 1020595481 /nfs/dbraw/zinc/59/54/81/1020595481.db2.gz HMYINUVOAALYRM-UHFFFAOYSA-N -1 0 313.687 3.552 20 0 DHADRM Cc1ccccc1-c1nsc([N-]c2cnn(C)c2C2CC2)n1 ZINC000858485847 1032913395 /nfs/dbraw/zinc/91/33/95/1032913395.db2.gz HTEGVXKJBWDGEX-UHFFFAOYSA-N -1 0 311.414 3.868 20 0 DHADRM C[C@@H](c1ccccc1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000316618306 1020687268 /nfs/dbraw/zinc/68/72/68/1020687268.db2.gz LEQSIMPWUFSQLN-AWEZNQCLSA-N -1 0 303.402 3.631 20 0 DHADRM CCN(CCC(F)(F)F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735856573 1020773789 /nfs/dbraw/zinc/77/37/89/1020773789.db2.gz WMNIAWUBRYLOFC-UHFFFAOYSA-N -1 0 318.320 3.531 20 0 DHADRM [O-]c1cc(Cl)ccc1-c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281559606 1020787613 /nfs/dbraw/zinc/78/76/13/1020787613.db2.gz YEAHTLRMLZWGGH-ZETCQYMHSA-N -1 0 300.692 3.998 20 0 DHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c([O-])cccc2F)C1 ZINC000125499695 1020796303 /nfs/dbraw/zinc/79/63/03/1020796303.db2.gz XGRGHQXSNYHAKW-KGLIPLIRSA-N -1 0 313.372 3.858 20 0 DHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccccc1Cl ZINC000177785117 1020802194 /nfs/dbraw/zinc/80/21/94/1020802194.db2.gz MGSFASLNEZHTNN-UHFFFAOYSA-N -1 0 317.848 3.585 20 0 DHADRM O=C(COc1ccc2c(c1)CCC2)Nc1cccc(Cl)c1[O-] ZINC000736682836 1020827496 /nfs/dbraw/zinc/82/74/96/1020827496.db2.gz PNRCKPMXJURQMD-UHFFFAOYSA-N -1 0 317.772 3.552 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000613284694 1020889831 /nfs/dbraw/zinc/88/98/31/1020889831.db2.gz NKMGTDQZLCCULG-KBPBESRZSA-N -1 0 301.386 3.750 20 0 DHADRM CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000173491805 1020917296 /nfs/dbraw/zinc/91/72/96/1020917296.db2.gz XANYECZXCGMNER-UHFFFAOYSA-N -1 0 307.781 3.610 20 0 DHADRM CCOc1ccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000170203992 1020964282 /nfs/dbraw/zinc/96/42/82/1020964282.db2.gz SFXKTOFGHRTYIX-UHFFFAOYSA-N -1 0 323.751 3.765 20 0 DHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000066645491 1021004652 /nfs/dbraw/zinc/00/46/52/1021004652.db2.gz HBIFHPPDLPBWMA-JKSUJKDBSA-N -1 0 323.458 3.519 20 0 DHADRM Cc1cc(OC(C)C)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000319852617 1021086300 /nfs/dbraw/zinc/08/63/00/1021086300.db2.gz NNASNEUBVJUYCU-UHFFFAOYSA-N -1 0 319.401 3.756 20 0 DHADRM O=C([O-])c1cc(-c2ccc(F)cc2OC(F)F)ccc1F ZINC001241245233 1021155810 /nfs/dbraw/zinc/15/58/10/1021155810.db2.gz AEVIPKNBTJMSTB-UHFFFAOYSA-N -1 0 300.207 3.931 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cccc(C(F)F)c2)CC2(CCC2)C1 ZINC000659120817 1021182904 /nfs/dbraw/zinc/18/29/04/1021182904.db2.gz CAGBTXFISTXINM-UHFFFAOYSA-N -1 0 309.312 3.598 20 0 DHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(OC)cc1 ZINC000176969120 1021185392 /nfs/dbraw/zinc/18/53/92/1021185392.db2.gz GWZOQVCJEQJRKX-OAHLLOKOSA-N -1 0 321.323 3.560 20 0 DHADRM CC1(C)CC[C@@H]1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000659135968 1021196279 /nfs/dbraw/zinc/19/62/79/1021196279.db2.gz ZNPJJIJYWJZLBV-SECBINFHSA-N -1 0 323.439 3.713 20 0 DHADRM CC1(C)CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC000659141678 1021201611 /nfs/dbraw/zinc/20/16/11/1021201611.db2.gz FNPSJPPRMSYZPG-UHFFFAOYSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(CCC(C)C)CC1 ZINC000659139875 1021201664 /nfs/dbraw/zinc/20/16/64/1021201664.db2.gz HESWMWWSFWLDAB-UHFFFAOYSA-N -1 0 307.390 3.575 20 0 DHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659146433 1021208725 /nfs/dbraw/zinc/20/87/25/1021208725.db2.gz SVVAXBSVKYTEPE-GZMMTYOYSA-N -1 0 323.801 3.538 20 0 DHADRM CCCCCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000318557580 1021213554 /nfs/dbraw/zinc/21/35/54/1021213554.db2.gz OKMQYRZUTATISW-UHFFFAOYSA-N -1 0 308.378 3.637 20 0 DHADRM C[C@@H](NC(=O)Cc1ccc(C2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC000659155606 1021215877 /nfs/dbraw/zinc/21/58/77/1021215877.db2.gz ZEPQLUFBBGPHRW-UONOGXRCSA-N -1 0 317.429 3.502 20 0 DHADRM O=C([O-])c1c(F)cc(Nc2cccc3c2C(=O)CC3)cc1F ZINC001203330256 1021222307 /nfs/dbraw/zinc/22/23/07/1021222307.db2.gz QNVLAZYMPXPRMP-UHFFFAOYSA-N -1 0 303.264 3.536 20 0 DHADRM CSc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000647600115 1021226503 /nfs/dbraw/zinc/22/65/03/1021226503.db2.gz ZBDAQPHHGZFKOK-UHFFFAOYSA-N -1 0 311.378 3.521 20 0 DHADRM CC(C)[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC000659178468 1021230514 /nfs/dbraw/zinc/23/05/14/1021230514.db2.gz CRBQPRKXNDZXBN-ZUEPYMLJSA-N -1 0 321.392 3.530 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@](C)(CCF)C(=O)[O-])cc1 ZINC000659216221 1021255369 /nfs/dbraw/zinc/25/53/69/1021255369.db2.gz NPLCHKWUCQAKRU-SHCNBLLESA-N -1 0 321.392 3.532 20 0 DHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1 ZINC000659216222 1021255997 /nfs/dbraw/zinc/25/59/97/1021255997.db2.gz NPLCHKWUCQAKRU-WRFKIARRSA-N -1 0 321.392 3.532 20 0 DHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000918154549 1021473354 /nfs/dbraw/zinc/47/33/54/1021473354.db2.gz BELPYTWOBDSWNS-SNVBAGLBSA-N -1 0 319.307 3.795 20 0 DHADRM Cc1cc(Nc2ccc(Br)nc2)ccc1C(=O)[O-] ZINC001211648125 1021518332 /nfs/dbraw/zinc/51/83/32/1021518332.db2.gz SJRWXCOBLKZRQN-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CC(=O)c1ccc(O)c(CCOC(=O)c2c(C)oc(C)c2C)c1 ZINC000744599441 1021581318 /nfs/dbraw/zinc/58/13/18/1021581318.db2.gz VJVBRFDQLMKNEL-UHFFFAOYSA-N -1 0 316.353 3.513 20 0 DHADRM Cc1c(C(=O)[O-])ccc(-c2ccc(C(F)(F)F)nn2)c1Cl ZINC001236108452 1021594255 /nfs/dbraw/zinc/59/42/55/1021594255.db2.gz OKMSEICDOZAFKG-UHFFFAOYSA-N -1 0 316.666 3.822 20 0 DHADRM O=c1c2c([n-]n1-c1cc(C(F)(F)F)ccc1F)CCCC2 ZINC000634616043 1021598381 /nfs/dbraw/zinc/59/83/81/1021598381.db2.gz YYPADPQLXPCLJW-SECBINFHSA-N -1 0 300.255 3.737 20 0 DHADRM O=C([O-])COc1ccc(/C=C/C(=O)c2csc(Cl)c2)cc1 ZINC000188863889 1021634760 /nfs/dbraw/zinc/63/47/60/1021634760.db2.gz HSXHXLAQLBPYAT-ZZXKWVIFSA-N -1 0 322.769 3.761 20 0 DHADRM COc1cc(-c2nc3ccc(Cl)nc3[nH]2)cc(Cl)c1O ZINC000154848685 1021673289 /nfs/dbraw/zinc/67/32/89/1021673289.db2.gz NFVUUNBSQZYOGR-UHFFFAOYSA-N -1 0 310.140 3.646 20 0 DHADRM Cc1ccc(C)c(C(=O)N[C@H]2CCCCC2(C)C)c1C(=O)[O-] ZINC000320168642 1021698623 /nfs/dbraw/zinc/69/86/23/1021698623.db2.gz YGPWCQDLBFZZHS-ZDUSSCGKSA-N -1 0 303.402 3.700 20 0 DHADRM Cc1cc(Nc2cc(-c3ccncc3)c[nH]c2=O)ccc1C(=O)[O-] ZINC001211650342 1021790221 /nfs/dbraw/zinc/79/02/21/1021790221.db2.gz ZNCKUFDMDWVKMG-UHFFFAOYSA-N -1 0 321.336 3.599 20 0 DHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000152844199 1021845228 /nfs/dbraw/zinc/84/52/28/1021845228.db2.gz USMWBMOYXJPNRT-SWLSCSKDSA-N -1 0 308.397 3.642 20 0 DHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000653297792 1021872195 /nfs/dbraw/zinc/87/21/95/1021872195.db2.gz BXXIWMXLRBWUMW-UHFFFAOYSA-N -1 0 317.307 3.843 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)[C@@H](C)C1 ZINC000746258995 1021903109 /nfs/dbraw/zinc/90/31/09/1021903109.db2.gz IOQHGPIFOODSBJ-JFGNBEQYSA-N -1 0 304.415 3.671 20 0 DHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000262307217 1021923896 /nfs/dbraw/zinc/92/38/96/1021923896.db2.gz PJBMZJSLCPXFKE-RYUDHWBXSA-N -1 0 315.291 3.692 20 0 DHADRM CCC[C@@H](CNC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000262380950 1021932660 /nfs/dbraw/zinc/93/26/60/1021932660.db2.gz YRTSIQDBQPPROE-ZDUSSCGKSA-N -1 0 317.410 3.646 20 0 DHADRM CC(C)c1cccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000040866270 1021946221 /nfs/dbraw/zinc/94/62/21/1021946221.db2.gz WGIFJZZCXSBWPC-UHFFFAOYSA-N -1 0 313.353 3.526 20 0 DHADRM CC(C)CCC1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851599736 1021952355 /nfs/dbraw/zinc/95/23/55/1021952355.db2.gz BISZMKYTNRBVOL-SOFGYWHQSA-N -1 0 319.401 3.666 20 0 DHADRM CCCCOc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000190622792 1021989493 /nfs/dbraw/zinc/98/94/93/1021989493.db2.gz LDOUQLDHKIFQCX-UHFFFAOYSA-N -1 0 307.390 3.695 20 0 DHADRM CC(=O)c1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1F ZINC000804273178 1022092132 /nfs/dbraw/zinc/09/21/32/1022092132.db2.gz RPRZTOMYKLWPRJ-UHFFFAOYSA-N -1 0 307.708 3.640 20 0 DHADRM CCOc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1OC ZINC000920453226 1022123799 /nfs/dbraw/zinc/12/37/99/1022123799.db2.gz CDUOMKNNJBQMSH-UHFFFAOYSA-N -1 0 321.760 3.705 20 0 DHADRM C/C(=C/C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC000236669469 1022162019 /nfs/dbraw/zinc/16/20/19/1022162019.db2.gz SJWVQDXWWGWUNP-KQVVTMDQSA-N -1 0 307.349 3.826 20 0 DHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(F)(F)C(F)F ZINC001267743756 1022184346 /nfs/dbraw/zinc/18/43/46/1022184346.db2.gz VRXFSKQKSHGJSO-JOYOIKCWSA-N -1 0 303.299 3.717 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630736 1022188666 /nfs/dbraw/zinc/18/86/66/1022188666.db2.gz WDABOIIVRKLHCC-GHMZBOCLSA-N -1 0 319.357 3.636 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCC[C@H]1CC1CCC1 ZINC000620569833 1022192023 /nfs/dbraw/zinc/19/20/23/1022192023.db2.gz ULFULPOQTSDZCW-JTQLQIEISA-N -1 0 314.838 3.687 20 0 DHADRM COc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)c(O)c1 ZINC000620573208 1022193765 /nfs/dbraw/zinc/19/37/65/1022193765.db2.gz GLEFLTQKJPOUCY-AWEZNQCLSA-N -1 0 303.402 3.586 20 0 DHADRM C[C@@H]1CN(C(=O)CC2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC000263141391 1022232503 /nfs/dbraw/zinc/23/25/03/1022232503.db2.gz YKGGTKAPRGOISY-LMPOIIKSSA-N -1 0 323.477 3.798 20 0 DHADRM Cc1ccc(CC(C)(C)NC(=O)c2ccc(O)cc2F)cc1 ZINC000416279387 1022234204 /nfs/dbraw/zinc/23/42/04/1022234204.db2.gz BILKQZVGNIPBLD-UHFFFAOYSA-N -1 0 301.361 3.591 20 0 DHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C\C1CCCCC1 ZINC000776672195 1022272077 /nfs/dbraw/zinc/27/20/77/1022272077.db2.gz CFTIJHLXJGCCNO-WFTPILKQSA-N -1 0 315.413 3.764 20 0 DHADRM CC1(C)CN(C(=O)CC2(C(=O)[O-])CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000378662242 1022272638 /nfs/dbraw/zinc/27/26/38/1022272638.db2.gz AKROCZKJKHBXMP-LSDHHAIUSA-N -1 0 321.461 3.839 20 0 DHADRM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(O)cc1F ZINC000154841021 1022337088 /nfs/dbraw/zinc/33/70/88/1022337088.db2.gz MXUAFTAEBRYULC-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM CC(C)(C)c1nnc([N-]C(=O)c2c(F)ccc(F)c2F)s1 ZINC000132695084 1033053317 /nfs/dbraw/zinc/05/33/17/1033053317.db2.gz AADLXSXFIGIJBG-UHFFFAOYSA-N -1 0 315.320 3.505 20 0 DHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281819 1022442002 /nfs/dbraw/zinc/44/20/02/1022442002.db2.gz WHQAPQGQTMFMES-TZMCWYRMSA-N -1 0 313.401 3.937 20 0 DHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000615280189 1022442086 /nfs/dbraw/zinc/44/20/86/1022442086.db2.gz AUZXCIQIGGIMOF-YIZWMMSDSA-N -1 0 311.385 3.547 20 0 DHADRM C[C@H]1C[C@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C[C@@H](C)C1 ZINC000615282720 1022442793 /nfs/dbraw/zinc/44/27/93/1022442793.db2.gz LQVYMLZRSCZPDA-IMRBUKKESA-N -1 0 313.401 3.793 20 0 DHADRM Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(O)c1 ZINC000237637898 1022468953 /nfs/dbraw/zinc/46/89/53/1022468953.db2.gz MTYQRZVLDVBZKU-SFHVURJKSA-N -1 0 319.401 3.700 20 0 DHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000634885374 1022521779 /nfs/dbraw/zinc/52/17/79/1022521779.db2.gz HFCVKCNLABRFDB-UHFFFAOYSA-N -1 0 317.307 3.621 20 0 DHADRM Oc1cccnc1CNc1ncc(C(F)(F)F)cc1C1CC1 ZINC001169732001 1022526540 /nfs/dbraw/zinc/52/65/40/1022526540.db2.gz WDFXXCUSUCCGEG-UHFFFAOYSA-N -1 0 309.291 3.691 20 0 DHADRM CCCC[C@H](C)N(CCCC)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000615375444 1022621234 /nfs/dbraw/zinc/62/12/34/1022621234.db2.gz WENMMDWKIRJQOZ-LBPRGKRZSA-N -1 0 319.405 3.749 20 0 DHADRM Cc1cc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001211653060 1022649802 /nfs/dbraw/zinc/64/98/02/1022649802.db2.gz YRQJOKSGGFATIL-UHFFFAOYSA-N -1 0 312.247 3.556 20 0 DHADRM O=C([O-])Cn1ccc2cc(NC(=O)C=C3CCCCC3)ccc21 ZINC000767138797 1022651669 /nfs/dbraw/zinc/65/16/69/1022651669.db2.gz XGDLXQFAKTVRAO-UHFFFAOYSA-N -1 0 312.369 3.555 20 0 DHADRM CCCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)s1 ZINC000621247356 1022669624 /nfs/dbraw/zinc/66/96/24/1022669624.db2.gz QPVXZSTUKVPZHJ-INIZCTEOSA-N -1 0 319.426 3.625 20 0 DHADRM O=C([O-])CCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000238103759 1022687303 /nfs/dbraw/zinc/68/73/03/1022687303.db2.gz OCQSTFIGOPMOMD-FMIVXFBMSA-N -1 0 323.820 3.895 20 0 DHADRM CCCC[C@@H](C)C(=O)Nc1ccc(Br)cc1O ZINC000584768904 1022723483 /nfs/dbraw/zinc/72/34/83/1022723483.db2.gz KQRSPTQCKROELB-SECBINFHSA-N -1 0 300.196 3.920 20 0 DHADRM CC(C)(C)C(F)(F)CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000856279107 1022784861 /nfs/dbraw/zinc/78/48/61/1022784861.db2.gz CJYRDYFGKWIIOV-UHFFFAOYSA-N -1 0 314.357 3.528 20 0 DHADRM CCCc1csc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)n1 ZINC000417558187 1022785388 /nfs/dbraw/zinc/78/53/88/1022785388.db2.gz DSIHPZHTVDXWHN-MRXNPFEDSA-N -1 0 318.442 3.628 20 0 DHADRM CCCC[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(C)C ZINC000621558802 1022786865 /nfs/dbraw/zinc/78/68/65/1022786865.db2.gz RJCCQUJJPUIQRJ-MRXNPFEDSA-N -1 0 303.402 3.689 20 0 DHADRM CCCC[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621538006 1022790061 /nfs/dbraw/zinc/79/00/61/1022790061.db2.gz CUWWKRZALWNGMH-MRXNPFEDSA-N -1 0 321.417 3.575 20 0 DHADRM CC(C)Cc1ncc(CNc2ccc(CC(=O)[O-])cc2)s1 ZINC000417581208 1022793614 /nfs/dbraw/zinc/79/36/14/1022793614.db2.gz FLWWZOQDLILQQT-UHFFFAOYSA-N -1 0 304.415 3.581 20 0 DHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000621599276 1022794026 /nfs/dbraw/zinc/79/40/26/1022794026.db2.gz UJTKZTVZSWQESP-XOKHGSTOSA-N -1 0 317.429 3.502 20 0 DHADRM CC(C)c1cccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000621558416 1022794348 /nfs/dbraw/zinc/79/43/48/1022794348.db2.gz FJQLMGAPMKQTLL-UHFFFAOYSA-N -1 0 309.365 3.664 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000538504286 1033080993 /nfs/dbraw/zinc/08/09/93/1033080993.db2.gz MUKLFPPVTZECCZ-KKBFJZEXSA-N -1 0 317.429 3.781 20 0 DHADRM CCc1ccc(C[NH2+][C@@H](Cc2cccc3ccccc32)C(=O)[O-])o1 ZINC000417584308 1022794766 /nfs/dbraw/zinc/79/47/66/1022794766.db2.gz MMHUZXACYYOPJD-IBGZPJMESA-N -1 0 323.392 3.781 20 0 DHADRM CC[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000621598482 1022798118 /nfs/dbraw/zinc/79/81/18/1022798118.db2.gz LEHIQCQDISXDRS-HYVNUMGLSA-N -1 0 317.429 3.638 20 0 DHADRM CC(C)c1ccsc1C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000621614665 1022802950 /nfs/dbraw/zinc/80/29/50/1022802950.db2.gz PUWDTHOEGSAVRS-SJCJKPOMSA-N -1 0 321.442 3.589 20 0 DHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000538504287 1033082633 /nfs/dbraw/zinc/08/26/33/1033082633.db2.gz MUKLFPPVTZECCZ-SZXPJGKVSA-N -1 0 317.429 3.781 20 0 DHADRM C[C@@H](CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000263547073 1022825822 /nfs/dbraw/zinc/82/58/22/1022825822.db2.gz UOLMZJLAJZRUPO-DOTOQJQBSA-N -1 0 317.429 3.816 20 0 DHADRM CC(C)(CNC(=O)c1cccc(Cl)c1[O-])CC(F)(F)F ZINC000856520335 1022831453 /nfs/dbraw/zinc/83/14/53/1022831453.db2.gz YBMJVAKMFRESRB-UHFFFAOYSA-N -1 0 309.715 3.754 20 0 DHADRM CC(C)CCc1nnc(NC(=O)c2cc(F)ccc2F)s1 ZINC000617097897 1022843780 /nfs/dbraw/zinc/84/37/80/1022843780.db2.gz HNCBONYBLPNHCH-UHFFFAOYSA-N -1 0 311.357 3.657 20 0 DHADRM O=C(Nc1nc2ccsc2s1)c1cccc(Cl)c1[O-] ZINC000775749966 1022917715 /nfs/dbraw/zinc/91/77/15/1022917715.db2.gz VVAUFHIBDOCFNF-UHFFFAOYSA-N -1 0 310.787 3.969 20 0 DHADRM O=C([N-]OCC(F)(F)F)C1c2ccccc2Oc2ccccc21 ZINC000768294065 1022942916 /nfs/dbraw/zinc/94/29/16/1022942916.db2.gz TYTOCBXNVNPECI-UHFFFAOYSA-N -1 0 323.270 3.534 20 0 DHADRM Cc1cc(N(c2ccc(N)cn2)C2CCCC2)ccc1C(=O)[O-] ZINC001211654998 1022943260 /nfs/dbraw/zinc/94/32/60/1022943260.db2.gz JHAMGIWQDGSCOL-UHFFFAOYSA-N -1 0 311.385 3.751 20 0 DHADRM Cc1cc(Nc2csc(-c3ccncc3)n2)ccc1C(=O)[O-] ZINC001211655112 1022943528 /nfs/dbraw/zinc/94/35/28/1022943528.db2.gz NTGLMKZCDBANRM-UHFFFAOYSA-N -1 0 311.366 3.955 20 0 DHADRM Cc1cc(Nc2ccc3nc(C4CCC4)nn3c2)ccc1C(=O)[O-] ZINC001211655164 1022948688 /nfs/dbraw/zinc/94/86/88/1022948688.db2.gz PCXIISYBXXLQAR-UHFFFAOYSA-N -1 0 322.368 3.747 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1scnc1C1CC1)C(=O)[O-] ZINC000191146001 1022950688 /nfs/dbraw/zinc/95/06/88/1022950688.db2.gz FDYGPANCGHEXKP-INIZCTEOSA-N -1 0 324.446 3.564 20 0 DHADRM COCC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCCCC1 ZINC000621957373 1022964700 /nfs/dbraw/zinc/96/47/00/1022964700.db2.gz SBDQLGKTBQMPCM-UHFFFAOYSA-N -1 0 315.772 3.720 20 0 DHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000314183413 1033096743 /nfs/dbraw/zinc/09/67/43/1033096743.db2.gz MVJNSNFRQUQWDT-KCPJHIHWSA-N -1 0 321.804 3.526 20 0 DHADRM Cc1cc(C)c(S(=O)(=O)Nc2c(C)ccnc2Cl)s1 ZINC000295950541 1023000243 /nfs/dbraw/zinc/00/02/43/1023000243.db2.gz LUJDYNKTQCZCRB-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM CCCC[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C(C)C ZINC000622032775 1023004083 /nfs/dbraw/zinc/00/40/83/1023004083.db2.gz VTRVUBPAAAVBDJ-CQSZACIVSA-N -1 0 316.405 3.578 20 0 DHADRM CC(C)(C)[C@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)c2ccccc21 ZINC000263578631 1023004279 /nfs/dbraw/zinc/00/42/79/1023004279.db2.gz SVUTVCZZTYBKQA-ZDUSSCGKSA-N -1 0 324.380 3.570 20 0 DHADRM O=C(COc1cc(Cl)cc(Cl)c1)[N-]OC1CCCCC1 ZINC000857493156 1023021935 /nfs/dbraw/zinc/02/19/35/1023021935.db2.gz SLBWSGQCFSXUGU-UHFFFAOYSA-N -1 0 318.200 3.753 20 0 DHADRM CC(C)c1cccc(O[C@H](C)C(=O)[N-]OC2CCCCC2)c1 ZINC000857493182 1023022308 /nfs/dbraw/zinc/02/23/08/1023022308.db2.gz STUBDVLDTCECRR-CQSZACIVSA-N -1 0 305.418 3.958 20 0 DHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]OCCC1CC1 ZINC000857511903 1023026531 /nfs/dbraw/zinc/02/65/31/1023026531.db2.gz CKOQTAQPPMPLTO-HNNXBMFYSA-N -1 0 311.809 3.591 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC2(CCCCC2)CC1 ZINC000617769202 1023048255 /nfs/dbraw/zinc/04/82/55/1023048255.db2.gz QIUVKXDTVVANDS-UHFFFAOYSA-N -1 0 314.838 3.689 20 0 DHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1coc(C2CCC2)n1 ZINC000192770285 1023055601 /nfs/dbraw/zinc/05/56/01/1023055601.db2.gz KQAHYCJGBZQBDX-UHFFFAOYSA-N -1 0 315.354 3.624 20 0 DHADRM Cc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)ccc1C(=O)[O-] ZINC001211657203 1023104491 /nfs/dbraw/zinc/10/44/91/1023104491.db2.gz GFEFBFWBKKOSLZ-UHFFFAOYSA-N -1 0 324.380 3.673 20 0 DHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000622384102 1023134909 /nfs/dbraw/zinc/13/49/09/1023134909.db2.gz VRBNDXXPSIZHBB-JTQLQIEISA-N -1 0 324.833 3.514 20 0 DHADRM CC/C(C)=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909328163 1023168694 /nfs/dbraw/zinc/16/86/94/1023168694.db2.gz YFONHEYNZZMSNX-AYJWMTRPSA-N -1 0 321.442 3.787 20 0 DHADRM CCOc1cccc2cc([C@H](C)[N-]C(=O)C(F)(F)F)oc21 ZINC000194646882 1023182381 /nfs/dbraw/zinc/18/23/81/1023182381.db2.gz BWMXZGRRWLRVBT-QMMMGPOBSA-N -1 0 301.264 3.571 20 0 DHADRM CCCCc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000322894330 1023188895 /nfs/dbraw/zinc/18/88/95/1023188895.db2.gz BKGLWEOWMXUZDI-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM COc1cc(C)c(NC(=O)c2c([O-])cccc2Cl)cc1C ZINC000769700792 1023197581 /nfs/dbraw/zinc/19/75/81/1023197581.db2.gz SWJBRWZHQQQQHA-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM CO[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(C)c3)cccc21 ZINC001211661024 1023339531 /nfs/dbraw/zinc/33/95/31/1023339531.db2.gz YRRMRPGCWINFOW-INIZCTEOSA-N -1 0 313.353 3.907 20 0 DHADRM CCN(CC(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000771507707 1023446691 /nfs/dbraw/zinc/44/66/91/1023446691.db2.gz BQPJPRDQCLCNTG-UHFFFAOYSA-N -1 0 322.767 3.650 20 0 DHADRM COC(=O)/C=C/c1cccc(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211663729 1023453682 /nfs/dbraw/zinc/45/36/82/1023453682.db2.gz YHKGLGNZVRZRCI-RMKNXTFCSA-N -1 0 311.337 3.623 20 0 DHADRM O=C([N-]OCC(F)F)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000772546591 1023560485 /nfs/dbraw/zinc/56/04/85/1023560485.db2.gz GENRIPMLDMIWJU-UHFFFAOYSA-N -1 0 324.154 3.728 20 0 DHADRM O=C([O-])CC[C@@H]1CCCN(c2ccnc3c(Cl)cccc23)C1 ZINC000662887241 1023643703 /nfs/dbraw/zinc/64/37/03/1023643703.db2.gz FZNQPFMRYBOCKS-LBPRGKRZSA-N -1 0 318.804 3.969 20 0 DHADRM C/C(=C\C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000786619170 1023712405 /nfs/dbraw/zinc/71/24/05/1023712405.db2.gz HCORBZMGGPLWGK-WYMLVPIESA-N -1 0 309.365 3.746 20 0 DHADRM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000786885909 1023740536 /nfs/dbraw/zinc/74/05/36/1023740536.db2.gz DWXHCBUVDVCYJG-UHFFFAOYSA-N -1 0 322.773 3.590 20 0 DHADRM CN(Cc1csc2ccccc12)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663031281 1023780176 /nfs/dbraw/zinc/78/01/76/1023780176.db2.gz CZPJIKLEKYBSOF-CQSZACIVSA-N -1 0 319.426 3.607 20 0 DHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(C)c(C)c1O ZINC000663044130 1023795060 /nfs/dbraw/zinc/79/50/60/1023795060.db2.gz KVHKGDSUIQHTPL-UHFFFAOYSA-N -1 0 319.401 3.681 20 0 DHADRM COc1cc(C)cc(NC(=O)c2cccc(Cl)c2[O-])c1C ZINC000787653615 1023808702 /nfs/dbraw/zinc/80/87/02/1023808702.db2.gz YAUVCEFUXIZVDL-UHFFFAOYSA-N -1 0 305.761 3.923 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C\c1ccccc1F ZINC000788089634 1023850104 /nfs/dbraw/zinc/85/01/04/1023850104.db2.gz ZLTKHKUXEHFNKP-FPLPWBNLSA-N -1 0 313.328 3.793 20 0 DHADRM CCCCCC[C@@](C)(NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000788315149 1023873881 /nfs/dbraw/zinc/87/38/81/1023873881.db2.gz OHHHSGPDJLTXDQ-QGZVFWFLSA-N -1 0 322.405 3.630 20 0 DHADRM CCCCC[C@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-] ZINC000788319077 1023873995 /nfs/dbraw/zinc/87/39/95/1023873995.db2.gz UFKMXVUSWNROQQ-LBPRGKRZSA-N -1 0 312.797 3.803 20 0 DHADRM CC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCCC1 ZINC000653328217 1023913154 /nfs/dbraw/zinc/91/31/54/1023913154.db2.gz GFBNDOFIDRVHBR-CVEARBPZSA-N -1 0 315.413 3.776 20 0 DHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1csc2ccccc21 ZINC000788723101 1023926415 /nfs/dbraw/zinc/92/64/15/1023926415.db2.gz MSTOSSCVXMHFDN-LLVKDONJSA-N -1 0 317.410 3.724 20 0 DHADRM C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252591578 1023928106 /nfs/dbraw/zinc/92/81/06/1023928106.db2.gz DQALROWSFQCJEL-KKZNHRDASA-N -1 0 302.201 3.849 20 0 DHADRM CC(C)CCC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000599727036 1023940785 /nfs/dbraw/zinc/94/07/85/1023940785.db2.gz MMIFHOXAGKZNGQ-UHFFFAOYSA-N -1 0 309.822 3.655 20 0 DHADRM Cc1cccc2c1CCC[C@H]2NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000663227978 1023945649 /nfs/dbraw/zinc/94/56/49/1023945649.db2.gz BZCPCAXOUBYMGX-MRXNPFEDSA-N -1 0 315.413 3.524 20 0 DHADRM Cc1sc(N[C@@H](C)c2ccc3c(c2)CCCO3)nc1C(=O)[O-] ZINC000663259281 1023979370 /nfs/dbraw/zinc/97/93/70/1023979370.db2.gz VNYSQCJWLGWRIP-VIFPVBQESA-N -1 0 318.398 3.648 20 0 DHADRM Cc1ccc(CN(C(=O)C2CCC(C(=O)[O-])CC2)C(C)C)s1 ZINC000194402932 1024001186 /nfs/dbraw/zinc/00/11/86/1024001186.db2.gz UYEWOGKYUSEGKM-UHFFFAOYSA-N -1 0 323.458 3.685 20 0 DHADRM CC(C)[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000061835581 1024057790 /nfs/dbraw/zinc/05/77/90/1024057790.db2.gz YWPHJPHGMDLIJL-MEDUHNTESA-N -1 0 311.809 3.654 20 0 DHADRM 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1027199204 /nfs/dbraw/zinc/19/92/04/1027199204.db2.gz OWWREWZWCIXNIR-UHFFFAOYSA-N -1 0 313.319 3.673 20 0 DHADRM CC[C@@H](C(=O)[N-]OC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000812398940 1027261144 /nfs/dbraw/zinc/26/11/44/1027261144.db2.gz ZWXIRDITPQSTJM-DJFZKKHWSA-N -1 0 321.726 3.999 20 0 DHADRM CC(C)(C(=O)[N-]OC/C=C\Cl)c1ccc(Cl)cc1F ZINC000812403411 1027262207 /nfs/dbraw/zinc/26/22/07/1027262207.db2.gz RCQAWWSTWOQQPA-UTCJRWHESA-N -1 0 306.164 3.557 20 0 DHADRM C[C@H](Sc1ccccc1Cl)C(=O)[N-]OC/C=C/Cl ZINC000812403644 1027262719 /nfs/dbraw/zinc/26/27/19/1027262719.db2.gz VBFHJCJWMMXLSC-IYNCYZAOSA-N -1 0 306.214 3.621 20 0 DHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)[N-]OC/C=C\Cl ZINC000812398389 1027270852 /nfs/dbraw/zinc/27/08/52/1027270852.db2.gz PKYKNCLVQUYBKV-RMGQIXRRSA-N -1 0 306.214 3.621 20 0 DHADRM Cc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1C(F)(F)F ZINC000573847313 1027334539 /nfs/dbraw/zinc/33/45/39/1027334539.db2.gz MGBREIHXEOVHEC-UHFFFAOYSA-N -1 0 315.291 3.597 20 0 DHADRM CC(C)c1nnc(CN=c2nc(C3CCCCC3)[n-]s2)s1 ZINC000573910496 1027340508 /nfs/dbraw/zinc/34/05/08/1027340508.db2.gz RVHOTPCDJRQGOB-UHFFFAOYSA-N -1 0 323.491 3.595 20 0 DHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC2CCC(OC)CC2)c1 ZINC000812706677 1027366400 /nfs/dbraw/zinc/36/64/00/1027366400.db2.gz WHEOWSVYRUJBQH-UHFFFAOYSA-N -1 0 319.401 3.519 20 0 DHADRM Cc1ccc(NCc2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000574588957 1027405315 /nfs/dbraw/zinc/40/53/15/1027405315.db2.gz DVVMFEPLUKSGDU-UHFFFAOYSA-N -1 0 307.296 3.907 20 0 DHADRM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]OC1CCC1 ZINC000812790257 1027407917 /nfs/dbraw/zinc/40/79/17/1027407917.db2.gz MWEJCQBNWBVHHH-UHFFFAOYSA-N -1 0 313.422 3.631 20 0 DHADRM Cn1cc(NC(=O)c2c([O-])cccc2F)c(C2CCCCC2)n1 ZINC000295750191 1027414697 /nfs/dbraw/zinc/41/46/97/1027414697.db2.gz HGLADEHEJSWUCJ-UHFFFAOYSA-N -1 0 317.364 3.565 20 0 DHADRM CC1(C)[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C[C@@H]21 ZINC000575412556 1027481777 /nfs/dbraw/zinc/48/17/77/1027481777.db2.gz FAIGIOGXFIFTCZ-CWSCBRNRSA-N -1 0 314.212 3.707 20 0 DHADRM CC(=O)c1ccc(F)c(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])c1 ZINC000575430916 1027486834 /nfs/dbraw/zinc/48/68/34/1027486834.db2.gz NZOKFVOHYUFAEC-YLJYHZDGSA-N -1 0 324.351 3.984 20 0 DHADRM O=C([O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)c(F)c1 ZINC000575763383 1027498751 /nfs/dbraw/zinc/49/87/51/1027498751.db2.gz SPOBPABSAAWVRJ-GFCCVEGCSA-N -1 0 316.328 3.606 20 0 DHADRM CCc1ccsc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158379051 1027504154 /nfs/dbraw/zinc/50/41/54/1027504154.db2.gz COMATZPBSKPNCO-UHFFFAOYSA-N -1 0 304.396 3.993 20 0 DHADRM O=C([O-])c1coc(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000575871595 1027517898 /nfs/dbraw/zinc/51/78/98/1027517898.db2.gz INKRFYXXOUFBLW-IIAWOOMASA-N -1 0 312.369 3.535 20 0 DHADRM COC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC000576084440 1027557773 /nfs/dbraw/zinc/55/77/73/1027557773.db2.gz QUKRNUZEKVCOJE-UHFFFAOYSA-N -1 0 304.173 3.597 20 0 DHADRM CCc1ccc(-c2ccc([C@@H](CC(=O)[O-])NC(C)=O)cc2)cc1 ZINC000576122605 1027567279 /nfs/dbraw/zinc/56/72/79/1027567279.db2.gz HFVSPYQSFUPMLL-GOSISDBHSA-N -1 0 311.381 3.568 20 0 DHADRM C/C(=C\C(=O)Nc1c(C)c(Br)ccc1O)C1CC1 ZINC000296192835 1027570144 /nfs/dbraw/zinc/57/01/44/1027570144.db2.gz UYFUNZYRVKDPKH-BQYQJAHWSA-N -1 0 310.191 3.758 20 0 DHADRM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000576766334 1027657175 /nfs/dbraw/zinc/65/71/75/1027657175.db2.gz VYXDBYJVIXVCDF-NXEZZACHSA-N -1 0 301.308 3.672 20 0 DHADRM O=C([O-])c1cccc(CC(=O)N2CCCC[C@H]2c2ccccc2)c1 ZINC000576888541 1027675596 /nfs/dbraw/zinc/67/55/96/1027675596.db2.gz OXSMQGAREFBQBD-SFHVURJKSA-N -1 0 323.392 3.681 20 0 DHADRM CN(C(=O)c1cccc(Cl)c1[O-])C1CCC(F)(F)CC1 ZINC000813773203 1027708813 /nfs/dbraw/zinc/70/88/13/1027708813.db2.gz JWPRBPBURRVNCM-UHFFFAOYSA-N -1 0 303.736 3.696 20 0 DHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C(\C)C(C)(C)C ZINC000814019327 1027815941 /nfs/dbraw/zinc/81/59/41/1027815941.db2.gz XOAHQNXEMSIXAC-RDRICISKSA-N -1 0 323.458 3.576 20 0 DHADRM CC(C)CCSCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000600871469 1027880513 /nfs/dbraw/zinc/88/05/13/1027880513.db2.gz FVAPZUXLVPJAJJ-LSDHHAIUSA-N -1 0 321.442 3.593 20 0 DHADRM Cc1sc(N2C[C@H](C)C[C@@H]2c2ccccc2)nc1C(=O)[O-] ZINC000563205413 1027933493 /nfs/dbraw/zinc/93/34/93/1027933493.db2.gz VRCDBCAZILDPNU-ZWNOBZJWSA-N -1 0 302.399 3.737 20 0 DHADRM Cc1cc(CN(C)[C@H](C)c2cc(F)ccc2F)oc1C(=O)[O-] ZINC000578199419 1028088587 /nfs/dbraw/zinc/08/85/87/1028088587.db2.gz GNUIFGNTUZUBFC-SNVBAGLBSA-N -1 0 309.312 3.757 20 0 DHADRM CCc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1CC ZINC000563582944 1028114284 /nfs/dbraw/zinc/11/42/84/1028114284.db2.gz SAYCDSMMHIPBHO-CYBMUJFWSA-N -1 0 318.417 3.530 20 0 DHADRM CC(C)(C)c1nc(=N[C@@H](c2ccccn2)C2CCC2)s[n-]1 ZINC000528139248 1028124657 /nfs/dbraw/zinc/12/46/57/1028124657.db2.gz LYWGDLDIJVMWNF-CYBMUJFWSA-N -1 0 302.447 3.606 20 0 DHADRM CSC[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000934920749 1028158020 /nfs/dbraw/zinc/15/80/20/1028158020.db2.gz OERNYGQPXUADQL-SECBINFHSA-N -1 0 320.241 3.667 20 0 DHADRM CSc1nc(=NC(=O)c2ccc(C3CCCC3)cc2)s[n-]1 ZINC000578701075 1028221045 /nfs/dbraw/zinc/22/10/45/1028221045.db2.gz VDLVSZIKIDDZQU-UHFFFAOYSA-N -1 0 319.455 3.592 20 0 DHADRM COCCc1cccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000578884337 1028264434 /nfs/dbraw/zinc/26/44/34/1028264434.db2.gz LCNNDWNAUGZWFI-UHFFFAOYSA-N -1 0 303.383 3.575 20 0 DHADRM Cc1cccc([C@@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c1C ZINC000579010902 1028302426 /nfs/dbraw/zinc/30/24/26/1028302426.db2.gz RNSIPBUJBRAKBL-QQFBHYJXSA-N -1 0 317.429 3.762 20 0 DHADRM C[C@@H]1CSCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000935634724 1028343084 /nfs/dbraw/zinc/34/30/84/1028343084.db2.gz NIKQZPSXMNBZBI-QMMMGPOBSA-N -1 0 320.241 3.524 20 0 DHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc2occ(C)c2c1)C1CC1 ZINC000579205248 1028350979 /nfs/dbraw/zinc/35/09/79/1028350979.db2.gz SLBXABYRJPZCGE-CQSZACIVSA-N -1 0 316.357 3.601 20 0 DHADRM CCCn1nc(C)c(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])c1C ZINC000579496965 1028421429 /nfs/dbraw/zinc/42/14/29/1028421429.db2.gz XITHBQCLCZIYKV-YLJYHZDGSA-N -1 0 324.424 3.865 20 0 DHADRM CCCn1nc(C)c(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])c1C ZINC000579496962 1028421997 /nfs/dbraw/zinc/42/19/97/1028421997.db2.gz XITHBQCLCZIYKV-FXAWDEMLSA-N -1 0 324.424 3.865 20 0 DHADRM O=C(C[C@H]1CCCC1(F)F)Nc1cc(Cl)c([O-])cc1F ZINC000935972754 1028435790 /nfs/dbraw/zinc/43/57/90/1028435790.db2.gz FYUJPCMWGGKRGM-SSDOTTSWSA-N -1 0 307.699 3.949 20 0 DHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(F)c1[O-] ZINC000935998820 1028440010 /nfs/dbraw/zinc/44/00/10/1028440010.db2.gz WLKNJYWTAWKDAI-HNNXBMFYSA-N -1 0 317.360 3.763 20 0 DHADRM Cn1cnc2ccc(-c3ccc(CCCC(=O)[O-])s3)cc21 ZINC000565235478 1028559948 /nfs/dbraw/zinc/55/99/48/1028559948.db2.gz FKBVEGNBYYRSCH-UHFFFAOYSA-N -1 0 300.383 3.709 20 0 DHADRM COCCOc1ccc(-c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000565235562 1028561039 /nfs/dbraw/zinc/56/10/39/1028561039.db2.gz GMVQEYTXAWNZAK-CQSZACIVSA-N -1 0 314.381 3.642 20 0 DHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)c(Cl)c1 ZINC000040559630 1028574520 /nfs/dbraw/zinc/57/45/20/1028574520.db2.gz DUEPNTSZMDMXQQ-UHFFFAOYSA-N -1 0 310.781 3.510 20 0 DHADRM CCCN(CC(F)F)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565485951 1028594996 /nfs/dbraw/zinc/59/49/96/1028594996.db2.gz HMQNVYOYCCAVCB-GFCCVEGCSA-N -1 0 309.715 3.582 20 0 DHADRM COc1ccc(-c2cc(C)ccc2OCCC(=O)[O-])c(C)c1 ZINC000566493805 1028731675 /nfs/dbraw/zinc/73/16/75/1028731675.db2.gz IBVBCKMHMVPRNR-UHFFFAOYSA-N -1 0 300.354 3.833 20 0 DHADRM COc1c(-c2ccc(OCC(C)C)nc2)ccc(C)c1C(=O)[O-] ZINC000566493721 1028731744 /nfs/dbraw/zinc/73/17/44/1028731744.db2.gz BQXDPJFPWZSPAY-UHFFFAOYSA-N -1 0 315.369 3.799 20 0 DHADRM COCCc1cccc(-c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000566493546 1028732077 /nfs/dbraw/zinc/73/20/77/1028732077.db2.gz GKKFYTWNYDNCQR-UHFFFAOYSA-N -1 0 312.365 3.590 20 0 DHADRM Cc1oc(CN(C)C(=O)CC2(C)CCCCC2)cc1C(=O)[O-] ZINC000566506422 1028734674 /nfs/dbraw/zinc/73/46/74/1028734674.db2.gz VALPFAIBCGIIRC-UHFFFAOYSA-N -1 0 307.390 3.605 20 0 DHADRM COc1ccc(-c2csc(C(C#N)=C([O-])C=CC3CC3)n2)cc1 ZINC000076880817 1028748236 /nfs/dbraw/zinc/74/82/36/1028748236.db2.gz KVXMCDXIEJQHDC-BCFOUKGLSA-N -1 0 324.405 3.961 20 0 DHADRM CCCN(Cc1ccccc1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567051277 1028828818 /nfs/dbraw/zinc/82/88/18/1028828818.db2.gz KPYLUIHBFAITEQ-UHFFFAOYSA-N -1 0 317.429 3.706 20 0 DHADRM CCCN(C(=O)Nc1cccc(SC)c1)[C@H](CC)C(=O)[O-] ZINC000567257617 1028863440 /nfs/dbraw/zinc/86/34/40/1028863440.db2.gz FCDZCDYOFWMIOU-CYBMUJFWSA-N -1 0 310.419 3.516 20 0 DHADRM COC[C@H](C)Oc1cccc(-c2c(C)csc2C(=O)[O-])c1 ZINC000567627988 1028931225 /nfs/dbraw/zinc/93/12/25/1028931225.db2.gz GROJBKDVPKOWPK-NSHDSACASA-N -1 0 306.383 3.835 20 0 DHADRM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000528937938 1028936003 /nfs/dbraw/zinc/93/60/03/1028936003.db2.gz KWSMIPXOYQCBMP-QNRPFLCFSA-N -1 0 300.185 3.930 20 0 DHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567901560 1028968118 /nfs/dbraw/zinc/96/81/18/1028968118.db2.gz MXEAJFWCTVMXMZ-KNIAUWFNSA-N -1 0 309.450 3.743 20 0 DHADRM O=C([O-])c1cccc(-c2ccc(C(=O)c3cccnc3)cc2)c1 ZINC000567977768 1028987337 /nfs/dbraw/zinc/98/73/37/1028987337.db2.gz LWBMDFAWBAFKKN-UHFFFAOYSA-N -1 0 303.317 3.678 20 0 DHADRM CC(=O)c1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000816840323 1029016441 /nfs/dbraw/zinc/01/64/41/1029016441.db2.gz JWZYNOVLNLOFJA-UHFFFAOYSA-N -1 0 312.350 3.571 20 0 DHADRM CSCC[C@@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000568199065 1029023937 /nfs/dbraw/zinc/02/39/37/1029023937.db2.gz PHINUQUNADLDQA-SECBINFHSA-N -1 0 321.364 3.625 20 0 DHADRM COCC[C@@H](Cc1cccc(-c2ccccc2OC)c1)C(=O)[O-] ZINC000568265764 1029036087 /nfs/dbraw/zinc/03/60/87/1029036087.db2.gz CWCPRDPKSBCPLP-INIZCTEOSA-N -1 0 314.381 3.642 20 0 DHADRM O=C([N-]OC1CCCCC1)C(F)(F)c1cccc(Cl)c1 ZINC000779316468 1029092323 /nfs/dbraw/zinc/09/23/23/1029092323.db2.gz DNPSGRXPJKCGRU-UHFFFAOYSA-N -1 0 303.736 3.812 20 0 DHADRM CCCN(C(=O)Nc1ccc(CSC)cc1)[C@@H](CC)C(=O)[O-] ZINC000568586806 1029097350 /nfs/dbraw/zinc/09/73/50/1029097350.db2.gz NXDGEXHHXIGPDJ-AWEZNQCLSA-N -1 0 324.446 3.657 20 0 DHADRM Cc1sc(/C=C/c2ccc(OC(F)F)cc2)nc1C(=O)[O-] ZINC000568774246 1029123699 /nfs/dbraw/zinc/12/36/99/1029123699.db2.gz BXSAGWMNHFPCLS-QPJJXVBHSA-N -1 0 311.309 3.922 20 0 DHADRM Cc1nc([N-]S(=O)(=O)c2cc(C)ccc2Cl)sc1C ZINC000120266125 1029127238 /nfs/dbraw/zinc/12/72/38/1029127238.db2.gz IDZCAJLAXGNJKM-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM O=C(CSCc1ccc(Cl)cc1Cl)[N-]OCC1CC1 ZINC000817334196 1029132684 /nfs/dbraw/zinc/13/26/84/1029132684.db2.gz FFFQIDZGGITCTI-UHFFFAOYSA-N -1 0 320.241 3.684 20 0 DHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCc1cc(Cl)cs1 ZINC000077878585 1029148787 /nfs/dbraw/zinc/14/87/87/1029148787.db2.gz GQTZFBQOKBJNKA-UHFFFAOYSA-N -1 0 323.867 3.667 20 0 DHADRM CCCC[C@@H](NC(=O)Nc1ccc2occ(C)c2c1)C(=O)[O-] ZINC000568957085 1029152527 /nfs/dbraw/zinc/15/25/27/1029152527.db2.gz WYTYBTGJYDOWPA-CYBMUJFWSA-N -1 0 304.346 3.506 20 0 DHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]OCCC1CC1 ZINC000817429843 1029164024 /nfs/dbraw/zinc/16/40/24/1029164024.db2.gz JISRGQNONSPZDQ-VIFPVBQESA-N -1 0 318.200 3.609 20 0 DHADRM C[C@@H]1CC(F)(F)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000628966967 1029201780 /nfs/dbraw/zinc/20/17/80/1029201780.db2.gz LPQLKVRUTOWDNP-MRVPVSSYSA-N -1 0 323.261 3.671 20 0 DHADRM CCC[C@@H](C)CC(=O)N1CCC(Cc2occc2C(=O)[O-])CC1 ZINC000374125132 1029214378 /nfs/dbraw/zinc/21/43/78/1029214378.db2.gz KNAYFDYXUKUNNO-CYBMUJFWSA-N -1 0 321.417 3.585 20 0 DHADRM CSc1c(Cl)cccc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245778144 1029227107 /nfs/dbraw/zinc/22/71/07/1029227107.db2.gz PIPMXYLGJHOBED-UHFFFAOYSA-N -1 0 314.815 3.976 20 0 DHADRM Cc1ncc(CN(C)Cc2c([O-])ccc(Cl)c2F)s1 ZINC000191260338 1029337556 /nfs/dbraw/zinc/33/75/56/1029337556.db2.gz DMOJDRLCCQVYAR-UHFFFAOYSA-N -1 0 300.786 3.582 20 0 DHADRM CC(C)(C)C1CC(NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000818142024 1029347433 /nfs/dbraw/zinc/34/74/33/1029347433.db2.gz PDBZYDXZRYHSCP-UHFFFAOYSA-N -1 0 304.415 3.671 20 0 DHADRM CCCc1nsc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])n1 ZINC000570463896 1029370432 /nfs/dbraw/zinc/37/04/32/1029370432.db2.gz HSAPGJUMUPIFDB-GFCCVEGCSA-N -1 0 322.455 3.587 20 0 DHADRM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000818483252 1029390155 /nfs/dbraw/zinc/39/01/55/1029390155.db2.gz IEDAUWCFCIKHDS-JSGCOSHPSA-N -1 0 301.773 3.579 20 0 DHADRM CCCC[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000450503820 1029519287 /nfs/dbraw/zinc/51/92/87/1029519287.db2.gz WPHNRKDZDAKTCK-GJZGRUSLSA-N -1 0 305.418 3.562 20 0 DHADRM Cc1cc(NC(=O)c2ccoc2C(C)C)cc(C(=O)[O-])c1C ZINC000450508555 1029521071 /nfs/dbraw/zinc/52/10/71/1029521071.db2.gz CHDBOASBDDYJDP-UHFFFAOYSA-N -1 0 301.342 3.970 20 0 DHADRM CCCCc1cc(=O)n(-c2cc(F)ccc2Br)[n-]1 ZINC001245926778 1029577767 /nfs/dbraw/zinc/57/77/67/1029577767.db2.gz LBPDRFYRGGWZRJ-UHFFFAOYSA-N -1 0 313.170 3.822 20 0 DHADRM Cc1[nH]nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1[O-] ZINC001136346264 1029737640 /nfs/dbraw/zinc/73/76/40/1029737640.db2.gz CQEBFRZBAKZUBF-UHFFFAOYSA-N -1 0 301.390 3.923 20 0 DHADRM Cc1csc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000451083056 1029788637 /nfs/dbraw/zinc/78/86/37/1029788637.db2.gz HGNGOSLOLNCIEK-UHFFFAOYSA-N -1 0 311.428 3.645 20 0 DHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)C)cc2)c1 ZINC000451092541 1029790519 /nfs/dbraw/zinc/79/05/19/1029790519.db2.gz AVVNCIWJNFFGMO-UHFFFAOYSA-N -1 0 323.439 3.696 20 0 DHADRM CC[C@H](C)CO[N-]C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000794855463 1029949587 /nfs/dbraw/zinc/94/95/87/1029949587.db2.gz VWSHJTVHSFPKDV-WDEREUQCSA-N -1 0 319.323 3.567 20 0 DHADRM CC(C)c1nc(=N[C@@H]2CCCOc3ccc(F)cc32)s[n-]1 ZINC000530693714 1029969907 /nfs/dbraw/zinc/96/99/07/1029969907.db2.gz YJFGZRIIKZCNCI-GFCCVEGCSA-N -1 0 307.394 3.548 20 0 DHADRM CC[C@@H](C)CO[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000794867222 1030017668 /nfs/dbraw/zinc/01/76/68/1030017668.db2.gz XGLYSLMILJPOKV-SKDRFNHKSA-N -1 0 307.287 3.810 20 0 DHADRM CC(C)c1nc(=N[C@@H](c2ccccc2)c2cccnc2)s[n-]1 ZINC000557150313 1030036178 /nfs/dbraw/zinc/03/61/78/1030036178.db2.gz ARPIVVSMIUQVQW-HNNXBMFYSA-N -1 0 310.426 3.680 20 0 DHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)s2)c1 ZINC000290425298 1030044345 /nfs/dbraw/zinc/04/43/45/1030044345.db2.gz NJRCGTJJLPWGEL-UHFFFAOYSA-N -1 0 303.383 3.536 20 0 DHADRM C[C@H](Cc1ccsc1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000530878448 1030056896 /nfs/dbraw/zinc/05/68/96/1030056896.db2.gz IDBKZUCYKHNDDQ-MRVPVSSYSA-N -1 0 313.781 3.607 20 0 DHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000357532919 1030096040 /nfs/dbraw/zinc/09/60/40/1030096040.db2.gz MDZZFWCIOZTGKW-UHFFFAOYSA-N -1 0 315.391 3.640 20 0 DHADRM Cc1cccc(C)c1[C@H](C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000557632883 1030225211 /nfs/dbraw/zinc/22/52/11/1030225211.db2.gz DTABVEYSUJZBLH-VIFPVBQESA-N -1 0 301.337 3.769 20 0 DHADRM O=S(=O)([N-]c1cc(C2CC2)ccn1)c1ccc(C(F)F)cc1 ZINC000290917363 1030247757 /nfs/dbraw/zinc/24/77/57/1030247757.db2.gz HSJZOXCCLDNILH-UHFFFAOYSA-N -1 0 324.352 3.697 20 0 DHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(cccc2F)s1 ZINC000823341489 1030264727 /nfs/dbraw/zinc/26/47/27/1030264727.db2.gz XGIOGBJYFBDSNB-INIZCTEOSA-N -1 0 323.389 3.660 20 0 DHADRM Cc1ccc(-c2csc([N-]S(=O)(=O)CCC3CC3)n2)cc1 ZINC000358140134 1030340882 /nfs/dbraw/zinc/34/08/82/1030340882.db2.gz OESKKEYQJGOHGI-UHFFFAOYSA-N -1 0 322.455 3.660 20 0 DHADRM Fc1cccc(-c2ccc(CN=c3[n-]c(C4CC4)no3)o2)c1F ZINC000358378552 1030461452 /nfs/dbraw/zinc/46/14/52/1030461452.db2.gz KNAJCNORCQFJFZ-UHFFFAOYSA-N -1 0 317.295 3.519 20 0 DHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(F)c(F)c1 ZINC001136835468 1030493352 /nfs/dbraw/zinc/49/33/52/1030493352.db2.gz WSJRLGSPTAEOCJ-MRVPVSSYSA-N -1 0 311.715 3.815 20 0 DHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]1C(F)F ZINC000868604506 1030611636 /nfs/dbraw/zinc/61/16/36/1030611636.db2.gz UIWCRKOPFMHTQK-GFCCVEGCSA-N -1 0 311.715 3.678 20 0 DHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)s1 ZINC000359072312 1030761827 /nfs/dbraw/zinc/76/18/27/1030761827.db2.gz RGFMTCQEIBKPFG-UHFFFAOYSA-N -1 0 322.411 3.615 20 0 DHADRM O=C(C[C@H]1OCCc2ccccc21)Nc1cccc(Cl)c1[O-] ZINC000077012974 1030833853 /nfs/dbraw/zinc/83/38/53/1030833853.db2.gz IOEVREQPZCGHRM-OAHLLOKOSA-N -1 0 317.772 3.688 20 0 DHADRM CCN(C(=O)c1cc(SC)ccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000614976166 1030893865 /nfs/dbraw/zinc/89/38/65/1030893865.db2.gz VJGYKTJIVAPNTJ-GFCCVEGCSA-N -1 0 323.458 3.534 20 0 DHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)c1csc2ccccc21 ZINC000844154521 1030968931 /nfs/dbraw/zinc/96/89/31/1030968931.db2.gz AKZFBAVKCRHSQL-LLVKDONJSA-N -1 0 317.410 3.724 20 0 DHADRM CCCN(C(=O)CCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000844250785 1031006778 /nfs/dbraw/zinc/00/67/78/1031006778.db2.gz YQBLPIQVOLMDNQ-ZDUSSCGKSA-N -1 0 317.385 3.987 20 0 DHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCC(=O)[O-])cc1 ZINC000844244679 1031022670 /nfs/dbraw/zinc/02/26/70/1031022670.db2.gz ZERSJAWAGLOGQT-KBXCAEBGSA-N -1 0 303.402 3.550 20 0 DHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCCC(=O)[O-])C(C)C)cc1 ZINC000844245489 1031023311 /nfs/dbraw/zinc/02/33/11/1031023311.db2.gz RQIDFWNPKVQVKJ-IBGZPJMESA-N -1 0 319.445 3.953 20 0 DHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1=CCCCO1 ZINC000179320888 1031091739 /nfs/dbraw/zinc/09/17/39/1031091739.db2.gz ZAKLMWUDJVOZHA-UHFFFAOYSA-N -1 0 322.575 3.985 20 0 DHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000208612529 1031114565 /nfs/dbraw/zinc/11/45/65/1031114565.db2.gz UHOHVKVOGVQFKF-KMKOMSMNSA-N -1 0 301.729 3.690 20 0 DHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCCC[C@@H]1C ZINC000262364987 1031115672 /nfs/dbraw/zinc/11/56/72/1031115672.db2.gz JFUASXDKOAFJIE-NHYWBVRUSA-N -1 0 307.365 3.565 20 0 DHADRM O=C([O-])CC1(NC(=O)CCCc2ccc(Cl)cc2)CCCC1 ZINC000262895958 1031155417 /nfs/dbraw/zinc/15/54/17/1031155417.db2.gz LVMBYCYXXQFUJU-UHFFFAOYSA-N -1 0 323.820 3.566 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC000263111844 1031167395 /nfs/dbraw/zinc/16/73/95/1031167395.db2.gz BULGWTAMXPJMCE-XIRDDKMYSA-N -1 0 317.429 3.528 20 0 DHADRM CC(C)c1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000263206351 1031173907 /nfs/dbraw/zinc/17/39/07/1031173907.db2.gz KTQLNJVAPIVBMT-SNVBAGLBSA-N -1 0 318.398 3.707 20 0 DHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237639616 1031182427 /nfs/dbraw/zinc/18/24/27/1031182427.db2.gz MKBICVXIQQNXQE-DLBZAZTESA-N -1 0 309.365 3.744 20 0 DHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cccc3ccccc31)C2 ZINC000263451005 1031195738 /nfs/dbraw/zinc/19/57/38/1031195738.db2.gz AMGFJDGBJBJXQR-IFXJQAMLSA-N -1 0 324.380 3.558 20 0 DHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871334362 1031200643 /nfs/dbraw/zinc/20/06/43/1031200643.db2.gz UVGXNJAPVFPLBX-CQSZACIVSA-N -1 0 323.820 3.609 20 0 DHADRM CC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263517870 1031201468 /nfs/dbraw/zinc/20/14/68/1031201468.db2.gz FPJORHYHLNZUAA-ZANVPECISA-N 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ZINC000863640005 1034161063 /nfs/dbraw/zinc/16/10/63/1034161063.db2.gz DPYPZVADWUSRQT-UHFFFAOYSA-N -1 0 302.399 3.523 20 0 DHADRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000794577548 1034224697 /nfs/dbraw/zinc/22/46/97/1034224697.db2.gz WKVXUTMJLBGUQQ-UHFFFAOYSA-N -1 0 323.801 3.734 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000864101489 1034289579 /nfs/dbraw/zinc/28/95/79/1034289579.db2.gz CKOYQKAOXVLABQ-QGZVFWFLSA-N -1 0 323.392 3.541 20 0 DHADRM Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC000864102870 1034290757 /nfs/dbraw/zinc/29/07/57/1034290757.db2.gz CEDHWEVADHJTEJ-HNNXBMFYSA-N -1 0 315.394 3.732 20 0 DHADRM O=C([O-])CCCCCCNC(=O)c1csc(C(F)(F)F)c1 ZINC000864121958 1034293757 /nfs/dbraw/zinc/29/37/57/1034293757.db2.gz NRGFOXGNHXDRQR-UHFFFAOYSA-N -1 0 323.336 3.532 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1coc(SC)c1)C(=O)[O-] ZINC000864129710 1034294204 /nfs/dbraw/zinc/29/42/04/1034294204.db2.gz HWQFGOJMERUUJV-HNNXBMFYSA-N -1 0 313.419 3.545 20 0 DHADRM CCCCCC[C@](C)(NC(=O)c1coc(C(F)F)c1)C(=O)[O-] ZINC000864130887 1034294248 /nfs/dbraw/zinc/29/42/48/1034294248.db2.gz QMTRYYDWMQNHFB-HNNXBMFYSA-N -1 0 317.332 3.761 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)oc1C ZINC000864118939 1034295211 /nfs/dbraw/zinc/29/52/11/1034295211.db2.gz QJQMTFCTYCWWTI-GOSISDBHSA-N -1 0 315.369 3.628 20 0 DHADRM CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864209847 1034301716 /nfs/dbraw/zinc/30/17/16/1034301716.db2.gz NTMIMHURGYXCSR-YIOZNXECSA-N -1 0 321.461 3.743 20 0 DHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)c2ccccc21 ZINC000864226340 1034302971 /nfs/dbraw/zinc/30/29/71/1034302971.db2.gz BFPXLBYTESLQOH-KGLIPLIRSA-N -1 0 313.397 3.562 20 0 DHADRM CC(C)SCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224383 1034303854 /nfs/dbraw/zinc/30/38/54/1034303854.db2.gz AFAQCTKQVKYTOG-UHFFFAOYSA-N -1 0 303.383 3.618 20 0 DHADRM Cc1cc(C(=O)Nc2ccc(C3CC3)cc2F)oc1C(=O)[O-] ZINC000864223170 1034304312 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Cn1nc(C2CCC2)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316504 1034931147 /nfs/dbraw/zinc/93/11/47/1034931147.db2.gz WBOSSURGXMXMRO-UHFFFAOYSA-N -1 0 305.765 3.783 20 0 DHADRM COCCOc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175321058 1034932371 /nfs/dbraw/zinc/93/23/71/1034932371.db2.gz ZPCHKJGMMQFHRN-UHFFFAOYSA-N -1 0 321.760 3.807 20 0 DHADRM Cn1cnc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175321050 1034932415 /nfs/dbraw/zinc/93/24/15/1034932415.db2.gz ZBMMUYVKOHYVNB-UHFFFAOYSA-N -1 0 301.733 3.669 20 0 DHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001175327407 1034934968 /nfs/dbraw/zinc/93/49/68/1034934968.db2.gz KHDCBDVLZZGZTN-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM Cc1nccc(Br)c1Nc1cccc(C(=O)[O-])c1 ZINC001175327623 1034935785 /nfs/dbraw/zinc/93/57/85/1034935785.db2.gz RMHFLKUZCCFIQD-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM CCc1ncc(Br)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175329957 1034937141 /nfs/dbraw/zinc/93/71/41/1034937141.db2.gz FCPLSYSBNLWHJN-UHFFFAOYSA-N -1 0 321.174 3.848 20 0 DHADRM Nc1cc(F)c(C(F)(F)F)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175332593 1034938729 /nfs/dbraw/zinc/93/87/29/1034938729.db2.gz UPVJDAOHSBCXSV-UHFFFAOYSA-N -1 0 314.238 3.869 20 0 DHADRM [S-]c1cc(Cl)ccc1Nc1ccc(-c2nn[nH]n2)cc1 ZINC001175430188 1034981235 /nfs/dbraw/zinc/98/12/35/1034981235.db2.gz JNOZHIZVRBPHPW-UHFFFAOYSA-N -1 0 303.778 3.552 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2)s1 ZINC000042316475 1035039047 /nfs/dbraw/zinc/03/90/47/1035039047.db2.gz DAMCQACBBBVYLO-NSHDSACASA-N -1 0 323.439 3.896 20 0 DHADRM Cc1nc(NCc2csc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000900964254 1035099045 /nfs/dbraw/zinc/09/90/45/1035099045.db2.gz FSPZPGCFYXFDKD-UHFFFAOYSA-N -1 0 322.333 3.842 20 0 DHADRM COc1ccc(C(F)(F)F)nc1-c1csc(C(=O)[O-])c1 ZINC001206251049 1035105064 /nfs/dbraw/zinc/10/50/64/1035105064.db2.gz ZJZNMGDBEBIYOR-UHFFFAOYSA-N -1 0 303.261 3.536 20 0 DHADRM COc1cc(F)c(C(C)C)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001175833073 1035128155 /nfs/dbraw/zinc/12/81/55/1035128155.db2.gz OCVCQYGLQAFNED-UHFFFAOYSA-N -1 0 315.348 3.584 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(F)c(OC3CCC3)c(F)c2)c1 ZINC001175843008 1035130592 /nfs/dbraw/zinc/13/05/92/1035130592.db2.gz IOXOKVURMDLIEW-UHFFFAOYSA-N -1 0 320.295 3.733 20 0 DHADRM O=C([O-])c1cncc(Nc2cc(F)ccc2OC2CCCC2)c1 ZINC001175843502 1035131026 /nfs/dbraw/zinc/13/10/26/1035131026.db2.gz RGBKVRNLCJJXTJ-UHFFFAOYSA-N -1 0 316.332 3.984 20 0 DHADRM O=C([O-])c1cncc(Nc2cccc3c(Cl)ncc(F)c23)c1 ZINC001175842720 1035131074 /nfs/dbraw/zinc/13/10/74/1035131074.db2.gz BBENUKYZJUNNLE-UHFFFAOYSA-N -1 0 317.707 3.864 20 0 DHADRM CCOC(=O)c1noc([N-]c2cscn2)c1-c1ccccc1 ZINC001175941459 1035153208 /nfs/dbraw/zinc/15/32/08/1035153208.db2.gz RYCSKYMMAFAVJJ-UHFFFAOYSA-N -1 0 315.354 3.718 20 0 DHADRM CC(=O)N1CC=C(Nc2cc(C(F)(F)F)ccc2[S-])CC1 ZINC001176031644 1035187978 /nfs/dbraw/zinc/18/79/78/1035187978.db2.gz RFSKWLRHZMRWRR-UHFFFAOYSA-N -1 0 316.348 3.542 20 0 DHADRM O=C([O-])c1cc(Nc2cnc3cc(C4CCC4)nn3c2)cs1 ZINC001176435214 1035263129 /nfs/dbraw/zinc/26/31/29/1035263129.db2.gz AEDIFLCJHMGZQV-UHFFFAOYSA-N -1 0 314.370 3.500 20 0 DHADRM O=C([O-])c1cc(Nc2ccc3nnc(C4CCC4)n3c2)cs1 ZINC001176435821 1035263182 /nfs/dbraw/zinc/26/31/82/1035263182.db2.gz HXAAFWCIEOGZKE-UHFFFAOYSA-N -1 0 314.370 3.500 20 0 DHADRM CC(C)CNC(=O)c1cccc(Nc2csc(C(=O)[O-])c2)c1 ZINC001176438824 1035263904 /nfs/dbraw/zinc/26/39/04/1035263904.db2.gz DSBSROWLUKKGAZ-UHFFFAOYSA-N -1 0 318.398 3.576 20 0 DHADRM Cc1nc(Nc2csc(C(=O)[O-])c2)ccc1Br ZINC001176437466 1035263946 /nfs/dbraw/zinc/26/39/46/1035263946.db2.gz QQULOMOSXPKNAF-UHFFFAOYSA-N -1 0 313.176 3.656 20 0 DHADRM Cc1cc(C)n(-c2ccc(Nc3csc(C(=O)[O-])c3)cc2)n1 ZINC001176439185 1035264029 /nfs/dbraw/zinc/26/40/29/1035264029.db2.gz OQTWGXVVJVURKB-UHFFFAOYSA-N -1 0 313.382 3.992 20 0 DHADRM Cc1nc2ccccn2c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581204 1035289101 /nfs/dbraw/zinc/28/91/01/1035289101.db2.gz KGVZLULXODDSTA-UHFFFAOYSA-N -1 0 307.353 3.503 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cc4ccccc4oc3=O)cc2)CC1 ZINC001176582462 1035289528 /nfs/dbraw/zinc/28/95/28/1035289528.db2.gz YEFQLCFUISKWLV-UHFFFAOYSA-N -1 0 321.332 3.653 20 0 DHADRM COc1ncc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1Cl ZINC001176584646 1035290278 /nfs/dbraw/zinc/29/02/78/1035290278.db2.gz OORRBXNNAKNCGT-UHFFFAOYSA-N -1 0 318.760 3.603 20 0 DHADRM Cc1cc2cc(N)ccc2n1-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176587291 1035290536 /nfs/dbraw/zinc/29/05/36/1035290536.db2.gz XUBBQLCABZWKFT-UHFFFAOYSA-N -1 0 306.365 3.637 20 0 DHADRM CC(=O)c1c(F)cccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588761 1035290732 /nfs/dbraw/zinc/29/07/32/1035290732.db2.gz FKUSIMPYKAFOIA-UHFFFAOYSA-N -1 0 313.328 3.888 20 0 DHADRM Cc1noc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc12 ZINC001176587958 1035290979 /nfs/dbraw/zinc/29/09/79/1035290979.db2.gz DRZFAUQYGTYVQG-UHFFFAOYSA-N -1 0 308.337 3.996 20 0 DHADRM Cc1nn(C)c2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc12 ZINC001176587921 1035291013 /nfs/dbraw/zinc/29/10/13/1035291013.db2.gz CGUKQFXHFDSJLR-UHFFFAOYSA-N -1 0 321.380 3.742 20 0 DHADRM COc1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC001176588312 1035291103 /nfs/dbraw/zinc/29/11/03/1035291103.db2.gz BIELCPLDBVLZRC-QPJJXVBHSA-N -1 0 304.733 3.585 20 0 DHADRM CC(=O)N(C)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176590775 1035291898 /nfs/dbraw/zinc/29/18/98/1035291898.db2.gz WWUUHRFOZQKTKE-UHFFFAOYSA-N -1 0 324.380 3.529 20 0 DHADRM Cc1nc2c(cccc2Nc2ccc(C3(C(=O)[O-])CC3)cc2)o1 ZINC001176590840 1035291966 /nfs/dbraw/zinc/29/19/66/1035291966.db2.gz YHCIXECPYPIPBD-UHFFFAOYSA-N -1 0 308.337 3.996 20 0 DHADRM O=C([O-])C1(c2ccc(Nc3cccc4nnsc43)cc2)CC1 ZINC001176590684 1035292117 /nfs/dbraw/zinc/29/21/17/1035292117.db2.gz QQWWCILFPWFLMK-UHFFFAOYSA-N -1 0 311.366 3.551 20 0 DHADRM COc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)n1 ZINC001176589819 1035292132 /nfs/dbraw/zinc/29/21/32/1035292132.db2.gz ODUOUYMZHPRNBI-RUDMXATFSA-N -1 0 304.733 3.585 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ncccc2OC(F)F)cc1 ZINC001176593457 1035292531 /nfs/dbraw/zinc/29/25/31/1035292531.db2.gz CMWKEVHQCKDPBS-VMPITWQZSA-N -1 0 306.268 3.524 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cccc(Cn3cccn3)c2)cc1 ZINC001176594926 1035292842 /nfs/dbraw/zinc/29/28/42/1035292842.db2.gz AHSVFQUAKGRLQM-JXMROGBWSA-N -1 0 319.364 3.773 20 0 DHADRM COCCOc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176592965 1035292969 /nfs/dbraw/zinc/29/29/69/1035292969.db2.gz SAOOUNOTNXNUOP-NYYWCZLTSA-N -1 0 313.353 3.553 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(-n3ccnc3)cc2)cc1 ZINC001176592507 1035292988 /nfs/dbraw/zinc/29/29/88/1035292988.db2.gz GEXMEEBFCUPKAQ-XCVCLJGOSA-N -1 0 305.337 3.714 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2cccnc2N2CCCCC2)cc1 ZINC001176592006 1035293034 /nfs/dbraw/zinc/29/30/34/1035293034.db2.gz SRWSNBAQLHYTAB-DHZHZOJOSA-N -1 0 323.396 3.913 20 0 DHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(CO)c(Cl)c2)cc1 ZINC001176596063 1035293572 /nfs/dbraw/zinc/29/35/72/1035293572.db2.gz VPHKDTCOHQNVIE-FPYGCLRLSA-N -1 0 303.745 3.674 20 0 DHADRM Cc1nn(C)c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc12 ZINC001176596153 1035293734 /nfs/dbraw/zinc/29/37/34/1035293734.db2.gz YDRCTFOGJQDXRS-BJMVGYQFSA-N -1 0 307.353 3.723 20 0 DHADRM O=C([O-])C=Cc1ccc(Nc2cccc3ccc(=O)[nH]c32)cc1 ZINC001176597603 1035307312 /nfs/dbraw/zinc/30/73/12/1035307312.db2.gz NDPPANWPNUIAAM-IZZDOVSWSA-N -1 0 306.321 3.782 20 0 DHADRM CC(=O)c1ccnc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663212 1035317745 /nfs/dbraw/zinc/31/77/45/1035317745.db2.gz DTICHHSCUWEZIV-UHFFFAOYSA-N -1 0 316.666 3.804 20 0 DHADRM CCC[C@H](C(=O)Nc1n[nH]c(-c2ccco2)n1)c1ccccc1 ZINC000484088659 1035317812 /nfs/dbraw/zinc/31/78/12/1035317812.db2.gz LLKLEVDXWRQWFS-ZDUSSCGKSA-N -1 0 310.357 3.587 20 0 DHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc(Cl)cc1 ZINC001176729450 1035319125 /nfs/dbraw/zinc/31/91/25/1035319125.db2.gz JWAHEBVUCFHEMA-UHFFFAOYSA-N -1 0 318.181 3.984 20 0 DHADRM Cc1ccc(Br)nc1Nc1ccc(C(=O)[O-])cc1 ZINC001176710454 1035326052 /nfs/dbraw/zinc/32/60/52/1035326052.db2.gz JTWLIMWIGYQTRX-UHFFFAOYSA-N -1 0 307.147 3.594 20 0 DHADRM Cc1cnn(-c2ccc(C)cc2)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710765 1035326058 /nfs/dbraw/zinc/32/60/58/1035326058.db2.gz MHYXJNNSNPYADG-UHFFFAOYSA-N -1 0 307.353 3.931 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2O)cc1 ZINC001176712340 1035326566 /nfs/dbraw/zinc/32/65/66/1035326566.db2.gz RCNVEAVEJXOTKJ-UHFFFAOYSA-N -1 0 308.131 3.597 20 0 DHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)c3ccncc3)cc2)cc1 ZINC001176714482 1035326744 /nfs/dbraw/zinc/32/67/44/1035326744.db2.gz DMSJAZQEFGIZRC-UHFFFAOYSA-N -1 0 318.332 3.754 20 0 DHADRM Cc1noc(-c2ccc(-c3csc(C(=O)[O-])c3)cc2F)n1 ZINC001206283691 1035328272 /nfs/dbraw/zinc/32/82/72/1035328272.db2.gz FYFCSVSCKQAKQW-UHFFFAOYSA-N -1 0 304.302 3.611 20 0 DHADRM Cc1cccc([C@@H](NCc2nc(C(C)(C)C)co2)C(=O)[O-])c1C ZINC000904005191 1035343807 /nfs/dbraw/zinc/34/38/07/1035343807.db2.gz IXMYNPCLYNGBOW-MRXNPFEDSA-N -1 0 316.401 3.504 20 0 DHADRM Cc1cc(CNc2cccc(C(=O)[O-])c2OC(C)C)sn1 ZINC000904010910 1035345307 /nfs/dbraw/zinc/34/53/07/1035345307.db2.gz SHWXXGWQAHLZFM-UHFFFAOYSA-N -1 0 306.387 3.549 20 0 DHADRM CC(C)(C)c1ccc(-c2ccc(CNC[C@H](F)C(=O)[O-])o2)cc1 ZINC000904043071 1035351601 /nfs/dbraw/zinc/35/16/01/1035351601.db2.gz PHBKLCBLQOZPBM-HNNXBMFYSA-N -1 0 319.376 3.756 20 0 DHADRM O=C([O-])c1cc(-c2cccc(-c3cc[nH]c(=S)n3)c2)cs1 ZINC001206298944 1035360402 /nfs/dbraw/zinc/36/04/02/1035360402.db2.gz UZTDHEMSISBUDR-UHFFFAOYSA-N -1 0 314.391 3.859 20 0 DHADRM COC(=O)c1nc2cccc(-c3csc(C(=O)[O-])c3)c2s1 ZINC001206302855 1035367911 /nfs/dbraw/zinc/36/79/11/1035367911.db2.gz DEHYSLSHLOEWAZ-UHFFFAOYSA-N -1 0 319.363 3.510 20 0 DHADRM CSCc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904201212 1035384321 /nfs/dbraw/zinc/38/43/21/1035384321.db2.gz YGHHSNJWGUXGRB-UONOGXRCSA-N -1 0 306.431 3.540 20 0 DHADRM CC(C)OCc1cccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1 ZINC000904198357 1035384475 /nfs/dbraw/zinc/38/44/75/1035384475.db2.gz ARRYCPNEFNVMKF-HOTGVXAUSA-N -1 0 318.417 3.602 20 0 DHADRM CC[C@H]([NH2+][C@@H]1C[C@H](NC(=O)[O-])C12CCC2)c1cc(F)ccc1F ZINC000904221852 1035385391 /nfs/dbraw/zinc/38/53/91/1035385391.db2.gz QPEYPIAWEYYZLO-ZNMIVQPWSA-N -1 0 324.371 3.584 20 0 DHADRM CC(C)Oc1cc(F)ccc1N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904230531 1035386821 /nfs/dbraw/zinc/38/68/21/1035386821.db2.gz CARDSOKFDAMSDL-CABCVRRESA-N -1 0 322.380 3.604 20 0 DHADRM CCSCc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904245927 1035387294 /nfs/dbraw/zinc/38/72/94/1035387294.db2.gz GZWIFFJPNYXIJZ-CABCVRRESA-N -1 0 320.458 3.930 20 0 DHADRM CCCN(C)c1ccccc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904252445 1035388372 /nfs/dbraw/zinc/38/83/72/1035388372.db2.gz AHRHIJLPAYNLHA-HZPDHXFCSA-N -1 0 317.433 3.524 20 0 DHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)[C@H]1Cc2ccccc2O1 ZINC001178940327 1035456324 /nfs/dbraw/zinc/45/63/24/1035456324.db2.gz DHDCHUDJFLLJOY-GFCCVEGCSA-N -1 0 324.163 3.641 20 0 DHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000905005085 1035474275 /nfs/dbraw/zinc/47/42/75/1035474275.db2.gz AVDQFGYKEHSDOG-UONOGXRCSA-N -1 0 315.394 3.751 20 0 DHADRM Cc1ccc(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc1C ZINC000905002795 1035474672 /nfs/dbraw/zinc/47/46/72/1035474672.db2.gz QFPPVYGFKQBNIQ-UHFFFAOYSA-N -1 0 317.410 3.560 20 0 DHADRM Cc1ccccc1Oc1cccc(NC(=O)c2c[n-]ncc2=O)c1 ZINC001179532660 1035481485 /nfs/dbraw/zinc/48/14/85/1035481485.db2.gz WZFSJUXUQFQVKY-UHFFFAOYSA-N -1 0 321.336 3.535 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccccc1COC(C)(C)C ZINC000905130668 1035483179 /nfs/dbraw/zinc/48/31/79/1035483179.db2.gz HKSBLQBVVWRLJY-SFHVURJKSA-N -1 0 321.417 3.831 20 0 DHADRM CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccccc1[S-] ZINC001179633824 1035488906 /nfs/dbraw/zinc/48/89/06/1035488906.db2.gz DVEDVULSKQLRRB-UHFFFAOYSA-N -1 0 324.446 3.609 20 0 DHADRM O=C([O-])c1cc(NCc2ccccc2OCC2CC2)ccc1F ZINC000485382281 1035590118 /nfs/dbraw/zinc/59/01/18/1035590118.db2.gz LEXRXACSYPUGPC-UHFFFAOYSA-N -1 0 315.344 3.925 20 0 DHADRM CC1(C)CC2(CC(Nc3ccc4c(C(=O)[O-])c[nH]c4c3)C2)CO1 ZINC000905714918 1035620529 /nfs/dbraw/zinc/62/05/29/1035620529.db2.gz RXEFZJKODNMSAH-UHFFFAOYSA-N -1 0 314.385 3.626 20 0 DHADRM C[C@@H]1C[C@H](Nc2ccc(-c3ccon3)cc2)CC[C@H]1C(=O)[O-] ZINC000905772612 1035651215 /nfs/dbraw/zinc/65/12/15/1035651215.db2.gz ZTSNQMFOTZPUJF-KCPJHIHWSA-N -1 0 300.358 3.643 20 0 DHADRM O=C([O-])C1(C(=O)Nc2cc3ccccc3cc2O)CCCCC1 ZINC001180436326 1035670542 /nfs/dbraw/zinc/67/05/42/1035670542.db2.gz FXFHDVWQJQVYST-UHFFFAOYSA-N -1 0 313.353 3.519 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3cccnc3)cc2)CCCCC1 ZINC001180436446 1035671242 /nfs/dbraw/zinc/67/12/42/1035671242.db2.gz KTCUYMGZXVDREZ-UHFFFAOYSA-N -1 0 324.380 3.722 20 0 DHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)OC1CCCCC1 ZINC001193658593 1035696999 /nfs/dbraw/zinc/69/69/99/1035696999.db2.gz QRRXXYJMXQSMDV-UHFFFAOYSA-N -1 0 315.373 3.768 20 0 DHADRM CC(C)c1ccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CC(=O)N3)cc1 ZINC000518797102 1035717928 /nfs/dbraw/zinc/71/79/28/1035717928.db2.gz KCXYMPHEAZZHIC-MRXNPFEDSA-N -1 0 309.365 3.987 20 0 DHADRM O=C(Nc1cc(C2CCCC2)no1)c1ccc(F)c([O-])c1F ZINC001193771135 1035719656 /nfs/dbraw/zinc/71/96/56/1035719656.db2.gz WOZSTJCQFYLYPB-UHFFFAOYSA-N -1 0 308.284 3.568 20 0 DHADRM Cc1cc(NC(=O)c2ccc(F)c([O-])c2F)c2ccsc2n1 ZINC001193770257 1035735514 /nfs/dbraw/zinc/73/55/14/1035735514.db2.gz RJZITOWEKFMEGG-UHFFFAOYSA-N -1 0 320.320 3.841 20 0 DHADRM COc1ccc(-c2cc(C)ccc2O[C@H](C)C(=O)[O-])c(C)c1 ZINC000519000724 1035737265 /nfs/dbraw/zinc/73/72/65/1035737265.db2.gz IOKIFBGRUMRDMY-CYBMUJFWSA-N -1 0 300.354 3.831 20 0 DHADRM Cc1sc(C(=O)[O-])cc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000519001327 1035738617 /nfs/dbraw/zinc/73/86/17/1035738617.db2.gz XCEJQXMHULEFOT-CQSZACIVSA-N -1 0 318.394 3.727 20 0 DHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC(C)(C)c1ccccc1 ZINC000761650885 1035741531 /nfs/dbraw/zinc/74/15/31/1035741531.db2.gz NKWHNEGVHGAGCA-SFHVURJKSA-N -1 0 305.418 3.504 20 0 DHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC(C)(C)c1ccccc1 ZINC000761650884 1035742291 /nfs/dbraw/zinc/74/22/91/1035742291.db2.gz NKWHNEGVHGAGCA-GOSISDBHSA-N -1 0 305.418 3.504 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(C)o1 ZINC000539549905 1035776033 /nfs/dbraw/zinc/77/60/33/1035776033.db2.gz ZAJZURGPIVJCBI-UHFFFAOYSA-N -1 0 323.414 3.793 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(C)c(Cc2cccc(C)c2)s1 ZINC000539598487 1035786449 /nfs/dbraw/zinc/78/64/49/1035786449.db2.gz OAUQVHGEXFMAMP-UHFFFAOYSA-N -1 0 324.471 3.502 20 0 DHADRM CC(C)c1noc(=NCc2cccc(OC3CCCC3)c2)[n-]1 ZINC000539707621 1035833951 /nfs/dbraw/zinc/83/39/51/1035833951.db2.gz KFWNNOTVYXTIQK-UHFFFAOYSA-N -1 0 301.390 3.548 20 0 DHADRM CCOC(C)(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001181152252 1035854565 /nfs/dbraw/zinc/85/45/65/1035854565.db2.gz AKDXGFLTFSKAOM-UHFFFAOYSA-N -1 0 306.189 3.761 20 0 DHADRM Cc1c(-c2ccccc2OC[C@@H]2CCOC2)csc1C(=O)[O-] ZINC000906239940 1035873657 /nfs/dbraw/zinc/87/36/57/1035873657.db2.gz KNAWSVYTMATRDT-GFCCVEGCSA-N -1 0 318.394 3.837 20 0 DHADRM COc1ccc(-c2n[n-]sc2=NC(=O)OCC(C)(C)C)cc1 ZINC001194355415 1035904864 /nfs/dbraw/zinc/90/48/64/1035904864.db2.gz OPTRBZJQWSAQFF-UHFFFAOYSA-N -1 0 321.402 3.808 20 0 DHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001181548444 1035937957 /nfs/dbraw/zinc/93/79/57/1035937957.db2.gz MZHMBSJVBXGINJ-QMMMGPOBSA-N -1 0 323.726 3.915 20 0 DHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001181548442 1035940030 /nfs/dbraw/zinc/94/00/30/1035940030.db2.gz MZHMBSJVBXGINJ-MRVPVSSYSA-N -1 0 323.726 3.915 20 0 DHADRM COc1ccc(OC(=O)Nc2ccc([S-])c(OC)c2)cc1 ZINC001194540778 1035952984 /nfs/dbraw/zinc/95/29/84/1035952984.db2.gz SGZZBIOOJJSACG-UHFFFAOYSA-N -1 0 305.355 3.603 20 0 DHADRM Cc1cccc(C)c1S(=O)(=O)Nc1ccc2ccncc2c1 ZINC001194638069 1035973347 /nfs/dbraw/zinc/97/33/47/1035973347.db2.gz GQYWYQCGPSHYIK-UHFFFAOYSA-N -1 0 312.394 3.652 20 0 DHADRM O=S(=O)([N-]c1cccnc1C1CC1)c1cccc2ccccc21 ZINC001250591084 1035995664 /nfs/dbraw/zinc/99/56/64/1035995664.db2.gz LHSMIHIDCUXJEW-UHFFFAOYSA-N -1 0 324.405 3.913 20 0 DHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000761728599 1036022438 /nfs/dbraw/zinc/02/24/38/1036022438.db2.gz GKAGAOVDGBFLBZ-BENRWUELSA-N -1 0 321.804 3.505 20 0 DHADRM Cc1ccc(C2(C(=O)Nc3cncc(O)c3)CCCCC2)cc1 ZINC001181867950 1036025429 /nfs/dbraw/zinc/02/54/29/1036025429.db2.gz HQECZXNMIWZYBJ-UHFFFAOYSA-N -1 0 310.397 3.936 20 0 DHADRM CC1(C)C[C@@H](C(=O)Nc2c(Cl)ccc([O-])c2Cl)CCO1 ZINC001182025213 1036076155 /nfs/dbraw/zinc/07/61/55/1036076155.db2.gz RQMJIFHLLGPCPE-QMMMGPOBSA-N -1 0 318.200 3.843 20 0 DHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000540498039 1036085036 /nfs/dbraw/zinc/08/50/36/1036085036.db2.gz NDRXXVSPSXPETG-CYBMUJFWSA-N -1 0 321.446 3.580 20 0 DHADRM O=C(Nc1cc(Cl)ccc1O)[C@H]1CCOC2(CCCC2)C1 ZINC000907093518 1036140214 /nfs/dbraw/zinc/14/02/14/1036140214.db2.gz XTACDGCZJQEPFU-NSHDSACASA-N -1 0 309.793 3.724 20 0 DHADRM COc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1Cl ZINC000486129235 1036141419 /nfs/dbraw/zinc/14/14/19/1036141419.db2.gz WARLPGZENHUGGG-GQCTYLIASA-N -1 0 309.774 3.982 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1CCC2 ZINC001195267802 1036198568 /nfs/dbraw/zinc/19/85/68/1036198568.db2.gz KFIADWALLPOXNH-UHFFFAOYSA-N -1 0 321.829 3.938 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C(C)C)no1 ZINC001195272470 1036201966 /nfs/dbraw/zinc/20/19/66/1036201966.db2.gz XMAIOOQMSPQYHK-UHFFFAOYSA-N -1 0 314.794 3.561 20 0 DHADRM Cc1ccc(O)c(C(=O)Nc2cccc3c(Cl)ccnc23)n1 ZINC001195329740 1036205773 /nfs/dbraw/zinc/20/57/73/1036205773.db2.gz HLGZTLLKEOCKDX-UHFFFAOYSA-N -1 0 313.744 3.550 20 0 DHADRM Cc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)c1 ZINC000907554601 1036234217 /nfs/dbraw/zinc/23/42/17/1036234217.db2.gz OGGIAJMPLYTTHB-BEFAXECRSA-N -1 0 309.365 3.500 20 0 DHADRM Cc1cc(C)cc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907555128 1036234822 /nfs/dbraw/zinc/23/48/22/1036234822.db2.gz QYJGXRVIAUXODJ-APWZRJJASA-N -1 0 309.365 3.500 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000907597241 1036240195 /nfs/dbraw/zinc/24/01/95/1036240195.db2.gz NWKRPIPJVCQNQP-VBNZEHGJSA-N -1 0 315.413 3.814 20 0 DHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1N(C)C ZINC000775658904 1036267131 /nfs/dbraw/zinc/26/71/31/1036267131.db2.gz RVGPQVPHQRQXTR-UHFFFAOYSA-N -1 0 304.777 3.672 20 0 DHADRM O=C(NOc1ccccc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000774268940 1036270045 /nfs/dbraw/zinc/27/00/45/1036270045.db2.gz DULNDYKKQSOAOH-UHFFFAOYSA-N -1 0 313.740 3.923 20 0 DHADRM O=C(Nc1ccc(-c2cnco2)cc1)c1cccc(Cl)c1[O-] ZINC000775664305 1036287258 /nfs/dbraw/zinc/28/72/58/1036287258.db2.gz KIVNCGRBGJNWAV-UHFFFAOYSA-N -1 0 314.728 3.953 20 0 DHADRM Cc1cccc(C)c1CN(C)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000907889868 1036298351 /nfs/dbraw/zinc/29/83/51/1036298351.db2.gz PSGWNLIEKSEQGD-UHFFFAOYSA-N -1 0 317.429 3.543 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907937089 1036307384 /nfs/dbraw/zinc/30/73/84/1036307384.db2.gz YZGHVOFIQGEQEI-ZOFXXKQRSA-N -1 0 321.461 3.599 20 0 DHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OCC2CCOCC2)o1 ZINC000522013845 1036307546 /nfs/dbraw/zinc/30/75/46/1036307546.db2.gz MKZFPMGGUHNGRN-UHFFFAOYSA-N -1 0 320.316 3.589 20 0 DHADRM COCCc1cccc(-c2ccc(F)cc2CCC(=O)[O-])c1 ZINC000522013114 1036308133 /nfs/dbraw/zinc/30/81/33/1036308133.db2.gz CLZGWCHCNOGWIK-UHFFFAOYSA-N -1 0 302.345 3.699 20 0 DHADRM O=C(Nc1cc(F)c(F)c(F)c1F)c1ccc([O-])c(Cl)c1 ZINC001152236341 1036316859 /nfs/dbraw/zinc/31/68/59/1036316859.db2.gz AHVBAPFMXPAVSX-UHFFFAOYSA-N -1 0 319.641 3.854 20 0 DHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc(Cl)s1 ZINC000908027183 1036321018 /nfs/dbraw/zinc/32/10/18/1036321018.db2.gz BMANJOKESGAYNP-WCBMZHEXSA-N -1 0 317.838 3.511 20 0 DHADRM CN(C(=O)c1cccc(C2CCC2)c1)c1cccc(CC(=O)[O-])c1 ZINC000908087695 1036325671 /nfs/dbraw/zinc/32/56/71/1036325671.db2.gz DCDAOCMKBYMQFC-UHFFFAOYSA-N -1 0 323.392 3.858 20 0 DHADRM CN(C(=O)C1CC2(C1)CCCCC2)c1cccc(CC(=O)[O-])c1 ZINC000908080375 1036328548 /nfs/dbraw/zinc/32/85/48/1036328548.db2.gz QBFALMCZOALAHC-UHFFFAOYSA-N -1 0 315.413 3.637 20 0 DHADRM CCCc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)s1 ZINC000908080418 1036329304 /nfs/dbraw/zinc/32/93/04/1036329304.db2.gz QZLSAOIEOFGXHO-UHFFFAOYSA-N -1 0 317.410 3.604 20 0 DHADRM CC[C@H]1c2ccccc2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000908179148 1036347779 /nfs/dbraw/zinc/34/77/79/1036347779.db2.gz HPQJGFWSKRHIHU-SFHVURJKSA-N -1 0 323.392 3.811 20 0 DHADRM CC[C@@H]1c2ccccc2CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000908182637 1036352877 /nfs/dbraw/zinc/35/28/77/1036352877.db2.gz YHEKZQCYJFIKAV-MQBCKMQZSA-N -1 0 315.413 3.761 20 0 DHADRM O=C([O-])[C@H](CNC(=O)c1sccc1C1CC1)CC1CCCC1 ZINC000908279472 1036376391 /nfs/dbraw/zinc/37/63/91/1036376391.db2.gz DFIFULVQIIJVHP-ZDUSSCGKSA-N -1 0 321.442 3.636 20 0 DHADRM CCc1ccc(F)cc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908333200 1036382376 /nfs/dbraw/zinc/38/23/76/1036382376.db2.gz OHQKHUTXNYNVIE-UHFFFAOYSA-N -1 0 321.392 3.543 20 0 DHADRM CC[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000908354978 1036386887 /nfs/dbraw/zinc/38/68/87/1036386887.db2.gz QAKGLFRMBYIIIK-MRXNPFEDSA-N -1 0 317.429 3.722 20 0 DHADRM CC(C)Sc1ccc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908373298 1036393419 /nfs/dbraw/zinc/39/34/19/1036393419.db2.gz PJSJTXZJHYIQMI-GXTWGEPZSA-N -1 0 321.442 3.560 20 0 DHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908376353 1036393488 /nfs/dbraw/zinc/39/34/88/1036393488.db2.gz VJQFGEMCKXUMMZ-JLJPHGGASA-N -1 0 317.429 3.502 20 0 DHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375131 1036394100 /nfs/dbraw/zinc/39/41/00/1036394100.db2.gz GYCPVDJVPNIDPX-IVHIMIEMSA-N -1 0 321.804 3.503 20 0 DHADRM [O-]c1c(Cl)cccc1-c1nc(C2Cc3ccccc3C2)no1 ZINC000761967573 1036415781 /nfs/dbraw/zinc/41/57/81/1036415781.db2.gz CWKVJNNTPHKTQT-UHFFFAOYSA-N -1 0 312.756 3.978 20 0 DHADRM CC(C)[C@H]1CC[C@H](C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000761964021 1036421163 /nfs/dbraw/zinc/42/11/63/1036421163.db2.gz BYHHAILMSYISLB-WKILWMFISA-N -1 0 311.466 3.990 20 0 DHADRM COc1ccc(Br)c(O[C@@H](C)C2=CC=C[CH]2)c1OC ZINC001234910579 1036432680 /nfs/dbraw/zinc/43/26/80/1036432680.db2.gz BSXATRVSMJYWES-JTQLQIEISA-N -1 0 324.194 3.934 20 0 DHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000908697274 1036473634 /nfs/dbraw/zinc/47/36/34/1036473634.db2.gz USDGECLBWKFFGG-QGZVFWFLSA-N -1 0 311.381 3.573 20 0 DHADRM Cc1ccccc1[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908700116 1036483624 /nfs/dbraw/zinc/48/36/24/1036483624.db2.gz ZIQXOHLXKCCBBO-FTXHTYHOSA-N -1 0 315.413 3.597 20 0 DHADRM COc1cc(NC(=S)Nc2ccccc2OC)ccc1[S-] ZINC001196261228 1036484996 /nfs/dbraw/zinc/48/49/96/1036484996.db2.gz NLTLAQKWYISHPQ-UHFFFAOYSA-N -1 0 320.439 3.801 20 0 DHADRM O=S(=O)([N-]c1ccccn1)c1ccc2cc(Cl)ccc2c1 ZINC001196413070 1036531854 /nfs/dbraw/zinc/53/18/54/1036531854.db2.gz TWGQFHVKCXHYLW-UHFFFAOYSA-N -1 0 318.785 3.689 20 0 DHADRM O=C(Cc1ccc([S-])cc1)N[C@H]1CCc2c1c(F)ccc2F ZINC001183192610 1036536424 /nfs/dbraw/zinc/53/64/24/1036536424.db2.gz YQSVVTDAXFKSSY-HNNXBMFYSA-N -1 0 319.376 3.600 20 0 DHADRM CC1(C)CN(C(=O)Cc2ccc([S-])cc2)Cc2ccccc21 ZINC001183190418 1036537704 /nfs/dbraw/zinc/53/77/04/1036537704.db2.gz HOKGSXOSAPUSSC-UHFFFAOYSA-N -1 0 311.450 3.838 20 0 DHADRM CCS[C@@H]1CCCCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775737119 1036585866 /nfs/dbraw/zinc/58/58/66/1036585866.db2.gz PHPOIGSOCCTHCX-LLVKDONJSA-N -1 0 313.850 3.793 20 0 DHADRM C=Cc1ccc(CCNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC001183536855 1036624217 /nfs/dbraw/zinc/62/42/17/1036624217.db2.gz SLUDJSPSXNJIDK-UHFFFAOYSA-N -1 0 319.763 3.800 20 0 DHADRM O=C(NCc1coc2ccccc12)c1cc(F)cc(Cl)c1[O-] ZINC001183536303 1036624312 /nfs/dbraw/zinc/62/43/12/1036624312.db2.gz MYGUZQVGNOUDFR-UHFFFAOYSA-N -1 0 319.719 3.861 20 0 DHADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(Cl)c1[O-] ZINC000775748227 1036628989 /nfs/dbraw/zinc/62/89/89/1036628989.db2.gz YKRMCFUOEPBXCL-TVQRCGJNSA-N -1 0 323.726 3.610 20 0 DHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(Cl)c1[O-] ZINC000775748226 1036630637 /nfs/dbraw/zinc/63/06/37/1036630637.db2.gz YKRMCFUOEPBXCL-RNCFNFMXSA-N -1 0 323.726 3.610 20 0 DHADRM Cc1coc(C)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288823 1036660583 /nfs/dbraw/zinc/66/05/83/1036660583.db2.gz WXNSSTFZELDWQJ-UHFFFAOYSA-N -1 0 301.342 3.511 20 0 DHADRM Cc1ccccc1OCc1noc(-c2cccc(Cl)c2[O-])n1 ZINC000762254478 1036671188 /nfs/dbraw/zinc/67/11/88/1036671188.db2.gz HUHCBFPMGJVTFZ-UHFFFAOYSA-N -1 0 316.744 3.983 20 0 DHADRM O=C([N-]OC1CCCC1)[C@H](c1cccnc1)C1CCCCC1 ZINC000867222790 1036671552 /nfs/dbraw/zinc/67/15/52/1036671552.db2.gz MBOWDVKUJNTPEE-KRWDZBQOSA-N -1 0 302.418 3.736 20 0 DHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3ccccc3n2)cc1 ZINC001197069871 1036680147 /nfs/dbraw/zinc/68/01/47/1036680147.db2.gz QMEZIRFNDLCMEV-UHFFFAOYSA-N -1 0 323.377 3.742 20 0 DHADRM [O-]C(=Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC001250133142 1036691794 /nfs/dbraw/zinc/69/17/94/1036691794.db2.gz GMIKDXQTMSKWQT-UHFFFAOYSA-N -1 0 304.189 3.947 20 0 DHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000775760825 1036698932 /nfs/dbraw/zinc/69/89/32/1036698932.db2.gz MSTJHVTUIXMJPT-IAQYHMDHSA-N -1 0 301.773 3.879 20 0 DHADRM Cc1ccc(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000909833321 1036706798 /nfs/dbraw/zinc/70/67/98/1036706798.db2.gz HRWDHZRNGCJYTB-GFCCVEGCSA-N -1 0 317.410 3.816 20 0 DHADRM [O-]c1c(Cl)nccc1NC(=S)Nc1ccc(Cl)cc1 ZINC001197306379 1036732081 /nfs/dbraw/zinc/73/20/81/1036732081.db2.gz MTGDMFASYBPIBR-UHFFFAOYSA-N -1 0 314.197 3.903 20 0 DHADRM CC(C)Cc1ccccc1CNC(=O)c1c([O-])cc(F)cc1F ZINC001184041439 1036733423 /nfs/dbraw/zinc/73/34/23/1036733423.db2.gz NNXSLRKMDZAHBX-UHFFFAOYSA-N -1 0 319.351 3.799 20 0 DHADRM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1cccc(Cl)c1O ZINC000784563436 1036736612 /nfs/dbraw/zinc/73/66/12/1036736612.db2.gz OXODPEPXFGMSPU-NSHDSACASA-N -1 0 310.777 3.694 20 0 DHADRM C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])[C@]12C[C@H]1CCCC2 ZINC001184132312 1036746012 /nfs/dbraw/zinc/74/60/12/1036746012.db2.gz 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CCc1nc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cs1 ZINC000417561348 334978785 /nfs/dbraw/zinc/97/87/85/334978785.db2.gz AWNHBLMOXXIIOH-CYBMUJFWSA-N -1 0 324.833 3.665 20 0 DHADRM CCCC[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191232939 334980810 /nfs/dbraw/zinc/98/08/10/334980810.db2.gz AAKVUMJDPAFFOV-MCIGGMRASA-N -1 0 323.355 3.505 20 0 DHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000236808554 202020385 /nfs/dbraw/zinc/02/03/85/202020385.db2.gz DNMALTDFWBADOF-KRWDZBQOSA-N -1 0 321.392 3.674 20 0 DHADRM CCCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236834478 202030991 /nfs/dbraw/zinc/03/09/91/202030991.db2.gz GZTXTKSGSVISLW-UHFFFAOYSA-N -1 0 315.369 3.822 20 0 DHADRM CCCc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)sc1C ZINC000236864044 202042321 /nfs/dbraw/zinc/04/23/21/202042321.db2.gz RWHGLVOTDQTNCD-UHFFFAOYSA-N -1 0 311.447 3.582 20 0 DHADRM CCCC[C@H](NC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000236876151 202048380 /nfs/dbraw/zinc/04/83/80/202048380.db2.gz CBJJWDRDIBCPLJ-AWEZNQCLSA-N -1 0 317.410 3.788 20 0 DHADRM CCC[C@@](C)(NC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC000236973758 202103161 /nfs/dbraw/zinc/10/31/61/202103161.db2.gz JYGMEOANWLNKMG-MRXNPFEDSA-N -1 0 309.431 3.560 20 0 DHADRM CCC[C@H](C)CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237006564 202119321 /nfs/dbraw/zinc/11/93/21/202119321.db2.gz WCEWAPWSSLRRNA-LBPRGKRZSA-N -1 0 309.431 3.769 20 0 DHADRM CC[C@@H](C)[C@@H](C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000191202225 334984090 /nfs/dbraw/zinc/98/40/90/334984090.db2.gz HCTPQUHXCXHQSG-HUUCEWRRSA-N -1 0 305.418 3.562 20 0 DHADRM CCc1nc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cs1 ZINC000417564559 334986482 /nfs/dbraw/zinc/98/64/82/334986482.db2.gz IZTMXQXUHQNNSS-UHFFFAOYSA-N -1 0 320.414 3.803 20 0 DHADRM O=C([O-])c1cccc(NC(=S)Nc2ccccc2Cl)c1 ZINC000005899509 181294514 /nfs/dbraw/zinc/29/45/14/181294514.db2.gz QHUHBJLDZVNJTD-UHFFFAOYSA-N -1 0 306.774 3.847 20 0 DHADRM CCc1oc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000191416608 334992270 /nfs/dbraw/zinc/99/22/70/334992270.db2.gz FYGOYLFACNRONU-GFCCVEGCSA-N -1 0 315.369 3.666 20 0 DHADRM CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000006653721 181365718 /nfs/dbraw/zinc/36/57/18/181365718.db2.gz REUNPGTVFHPMTF-UHFFFAOYSA-N -1 0 301.820 3.765 20 0 DHADRM C[C@H](Cc1ccc(NC(=O)CCc2ccccc2)cc1)C(=O)[O-] ZINC000191393084 334993586 /nfs/dbraw/zinc/99/35/86/334993586.db2.gz KMONULDLFBDGMQ-CQSZACIVSA-N -1 0 311.381 3.521 20 0 DHADRM O=C([O-])c1cc(NCc2ccc(OCC3CC3)cc2)ccc1F ZINC000417576627 334995495 /nfs/dbraw/zinc/99/54/95/334995495.db2.gz KJRFHKPTTKAKNV-UHFFFAOYSA-N -1 0 315.344 3.925 20 0 DHADRM O=C([O-])c1cc(NCc2cnc(C3CCC3)s2)ccc1F ZINC000417585700 335000538 /nfs/dbraw/zinc/00/05/38/335000538.db2.gz ZVUYVHOZNYROHN-UHFFFAOYSA-N -1 0 306.362 3.860 20 0 DHADRM CC1(C)Cc2cccc(CNc3ccc(CC(=O)[O-])cc3)c2O1 ZINC000417586134 335000515 /nfs/dbraw/zinc/00/05/15/335000515.db2.gz QEMNAKIJOOGDEJ-UHFFFAOYSA-N -1 0 311.381 3.639 20 0 DHADRM COCCC1(CNc2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC000417586142 335000671 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C[C@@H](CC(=O)[O-])c1ccc(NCc2c[nH]nc2C(C)(C)C)cc1 ZINC000417609645 335010042 /nfs/dbraw/zinc/01/00/42/335010042.db2.gz LQQCYNNTYKJKMP-LBPRGKRZSA-N -1 0 315.417 3.898 20 0 DHADRM CCc1cnc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000417610321 335010197 /nfs/dbraw/zinc/01/01/97/335010197.db2.gz NEYQYYPQJJZKEB-LLVKDONJSA-N -1 0 304.415 3.581 20 0 DHADRM CCc1nc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cs1 ZINC000417610800 335010429 /nfs/dbraw/zinc/01/04/29/335010429.db2.gz NVJQFRJCYAXRNG-NSHDSACASA-N -1 0 304.415 3.896 20 0 DHADRM COc1cc(C)nc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000417610612 335010588 /nfs/dbraw/zinc/01/05/88/335010588.db2.gz NRBVXNKCQALPCU-LBPRGKRZSA-N -1 0 314.385 3.589 20 0 DHADRM CCOc1c(Cl)cccc1C[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000417620501 335014235 /nfs/dbraw/zinc/01/42/35/335014235.db2.gz GHBHZNMYJBKMBV-CYBMUJFWSA-N -1 0 313.825 3.575 20 0 DHADRM O=S(=O)([N-]c1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000008104979 181526905 /nfs/dbraw/zinc/52/69/05/181526905.db2.gz 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335036789 /nfs/dbraw/zinc/03/67/89/335036789.db2.gz XETVYWXOQNKHJS-UHFFFAOYSA-N -1 0 316.430 3.710 20 0 DHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000037833849 182930400 /nfs/dbraw/zinc/93/04/00/182930400.db2.gz SPRYNHKLKRUHDV-AWEZNQCLSA-N -1 0 309.793 3.649 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1C(=O)[O-] ZINC000192891452 335037771 /nfs/dbraw/zinc/03/77/71/335037771.db2.gz MEMZEADEJGEMEA-XLIONFOSSA-N -1 0 321.376 3.536 20 0 DHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000192985867 335040121 /nfs/dbraw/zinc/04/01/21/335040121.db2.gz YJDIJGIGVYVMEN-RHSMWYFYSA-N -1 0 317.429 3.745 20 0 DHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)s1 ZINC000119779087 195035988 /nfs/dbraw/zinc/03/59/88/195035988.db2.gz VXITVVGXBRBFPD-UHFFFAOYSA-N -1 0 320.395 3.512 20 0 DHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000272760105 130061847 /nfs/dbraw/zinc/06/18/47/130061847.db2.gz FVUDBBQCKDKLMG-JQWIXIFHSA-N -1 0 320.414 3.650 20 0 DHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC000283194756 130968470 /nfs/dbraw/zinc/96/84/70/130968470.db2.gz YYZZQHIFCQFOLI-SNVBAGLBSA-N -1 0 314.838 3.687 20 0 DHADRM CC(C)(C)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)no1 ZINC000286678868 131245650 /nfs/dbraw/zinc/24/56/50/131245650.db2.gz HPIJMFQXFBIESF-UHFFFAOYSA-N -1 0 312.728 3.723 20 0 DHADRM Cc1cccc(S(=O)(=O)[N-]c2ncsc2C(C)C)c1F ZINC000288148039 131314018 /nfs/dbraw/zinc/31/40/18/131314018.db2.gz GIKZRAFWJXTSBV-UHFFFAOYSA-N -1 0 314.407 3.515 20 0 DHADRM Cc1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)c(C)s1 ZINC000288329930 131320527 /nfs/dbraw/zinc/32/05/27/131320527.db2.gz VKDQCKKQZKGWGG-UHFFFAOYSA-N -1 0 316.473 3.746 20 0 DHADRM Cc1c(C(=O)Nc2cccc(Cl)c2[O-])cnn1CCC(C)C ZINC000340319902 131396290 /nfs/dbraw/zinc/39/62/90/131396290.db2.gz AYTRYKVEBBELKW-UHFFFAOYSA-N -1 0 321.808 3.849 20 0 DHADRM CO[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000298124928 132047806 /nfs/dbraw/zinc/04/78/06/132047806.db2.gz BDVZSCBVNKANLC-NSHDSACASA-N -1 0 324.591 3.716 20 0 DHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1 ZINC000299467406 132106960 /nfs/dbraw/zinc/10/69/60/132106960.db2.gz AMKFLHXRJRANIU-JTQLQIEISA-N -1 0 308.403 3.606 20 0 DHADRM Cc1c(NCc2c[nH]c(-c3ccccc3)n2)cccc1C(=O)[O-] ZINC000340679551 132145962 /nfs/dbraw/zinc/14/59/62/132145962.db2.gz NJBCXVSKLDSELH-UHFFFAOYSA-N -1 0 307.353 3.695 20 0 DHADRM CCC[C@@](C)(NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000340679796 132146425 /nfs/dbraw/zinc/14/64/25/132146425.db2.gz NNVHXJPAXLUYOA-MRXNPFEDSA-N -1 0 304.415 3.543 20 0 DHADRM CCn1nc(C)c(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)c1C ZINC000164361961 132153975 /nfs/dbraw/zinc/15/39/75/132153975.db2.gz BRBOSAIRAJMZKD-CMDGGOBGSA-N -1 0 321.380 3.937 20 0 DHADRM CC(C)[C@H]1C[C@]([NH2+]Cc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000340690882 132157953 /nfs/dbraw/zinc/15/79/53/132157953.db2.gz NBMRBIJTPBZRIG-CRAIPNDOSA-N -1 0 315.438 3.961 20 0 DHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194390767 335069646 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Cc1sc(N2CCC[C@@H](c3ccccc3)C2)nc1C(=O)[O-] ZINC000584055729 331655255 /nfs/dbraw/zinc/65/52/55/331655255.db2.gz PAQUHDAVSKNZEV-CYBMUJFWSA-N -1 0 302.399 3.534 20 0 DHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(Cc1ccccc1)CC(F)F ZINC000584059038 331657350 /nfs/dbraw/zinc/65/73/50/331657350.db2.gz XZZPYYJSGGHFOC-NSHDSACASA-N -1 0 309.312 3.806 20 0 DHADRM CC1(C)Oc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2O1 ZINC000053279505 331694891 /nfs/dbraw/zinc/69/48/91/331694891.db2.gz AALSBHBTJNFJAU-UHFFFAOYSA-N -1 0 319.744 3.805 20 0 DHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(n1)CCCC2 ZINC000557947120 331827745 /nfs/dbraw/zinc/82/77/45/331827745.db2.gz FAHKKTPGXQSVRY-UHFFFAOYSA-N -1 0 320.751 3.711 20 0 DHADRM O=C([O-])CCC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000557979611 331830696 /nfs/dbraw/zinc/83/06/96/331830696.db2.gz WNZLGCQRQOKFNC-UHFFFAOYSA-N -1 0 323.748 3.501 20 0 DHADRM Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000261742335 331912135 /nfs/dbraw/zinc/91/21/35/331912135.db2.gz OAYBHIKTTONKIN-INIZCTEOSA-N -1 0 309.365 3.752 20 0 DHADRM CCCc1cccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000564452951 331942410 /nfs/dbraw/zinc/94/24/10/331942410.db2.gz JKNQGHPHQGNVSH-LLVKDONJSA-N -1 0 304.415 3.645 20 0 DHADRM O=C(CC1CCC(C(=O)[O-])CC1)NCCCCC1CCCC1 ZINC000569366703 332064775 /nfs/dbraw/zinc/06/47/75/332064775.db2.gz GMMGCFAZPQPECW-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM Cc1cc(-c2cccc(F)c2C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000572617889 332138192 /nfs/dbraw/zinc/13/81/92/332138192.db2.gz KSDAHYBOCQDZFZ-ZDUSSCGKSA-N -1 0 316.328 3.667 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000238165442 332139626 /nfs/dbraw/zinc/13/96/26/332139626.db2.gz DNDLKUXVFGWSDV-UHFFFAOYSA-N -1 0 313.328 3.584 20 0 DHADRM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3ccsc3)cc2c(C)c1 ZINC000426793732 332154256 /nfs/dbraw/zinc/15/42/56/332154256.db2.gz RJDANSVMXQYIKY-INIZCTEOSA-N -1 0 314.410 3.762 20 0 DHADRM O=C([O-])[C@@H](NCc1cc2ccccc2s1)c1cccc(F)c1 ZINC000426799550 332154982 /nfs/dbraw/zinc/15/49/82/332154982.db2.gz IPLDJZSVFIKKBC-INIZCTEOSA-N -1 0 315.369 3.956 20 0 DHADRM COCc1nc(=N[C@@H](C)c2cccc(Cl)c2Cl)s[n-]1 ZINC000426895127 332160415 /nfs/dbraw/zinc/16/04/15/332160415.db2.gz RFOMLUDMWXSUKR-ZETCQYMHSA-N -1 0 318.229 3.586 20 0 DHADRM CC(C)OC(=O)c1cc(-c2ccccc2C(=O)[O-])ccc1F ZINC000584294214 332222035 /nfs/dbraw/zinc/22/20/35/332222035.db2.gz JAIWJFGCRBRVQL-UHFFFAOYSA-N -1 0 302.301 3.756 20 0 DHADRM CCC(CC)(CNC(=O)c1oc2c(cccc2C)c1C)C(=O)[O-] ZINC000236901515 332244450 /nfs/dbraw/zinc/24/44/50/332244450.db2.gz FFADROAMRHQYTO-UHFFFAOYSA-N -1 0 317.385 3.670 20 0 DHADRM CCC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000536461360 332249250 /nfs/dbraw/zinc/24/92/50/332249250.db2.gz WNQWIWYSJCIPQT-UHFFFAOYSA-N -1 0 318.598 3.937 20 0 DHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000123767542 332254867 /nfs/dbraw/zinc/25/48/67/332254867.db2.gz ONPGZBQSOCKDMJ-GFCCVEGCSA-N -1 0 319.763 3.814 20 0 DHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000262107282 332272359 /nfs/dbraw/zinc/27/23/59/332272359.db2.gz JJNIMOSSYRTIBX-UHFFFAOYSA-N -1 0 303.402 3.958 20 0 DHADRM COc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(OC(F)F)c1 ZINC000559938663 332295093 /nfs/dbraw/zinc/29/50/93/332295093.db2.gz DFDHWAHDGWFQNV-RQOWECAXSA-N -1 0 321.279 3.560 20 0 DHADRM O=S(=O)([N-]c1ccccc1F)c1c(Cl)ccc(F)c1F ZINC000560009081 332301140 /nfs/dbraw/zinc/30/11/40/332301140.db2.gz DCXFMXKJVVGSDD-UHFFFAOYSA-N -1 0 321.707 3.558 20 0 DHADRM O=C([O-])[C@H]1CN(C(=O)CC2CCCCCC2)Cc2ccccc21 ZINC000261608495 332327802 /nfs/dbraw/zinc/32/78/02/332327802.db2.gz AQNRXHWNHRBHEM-KRWDZBQOSA-N -1 0 315.413 3.558 20 0 DHADRM CCN(C(=O)CC1CCC(C(=O)[O-])CC1)[C@H]1CCCC[C@@H]1C ZINC000582124709 332336561 /nfs/dbraw/zinc/33/65/61/332336561.db2.gz POMMKJSYWGGCFF-LBDPXKHJSA-N -1 0 309.450 3.695 20 0 DHADRM O=C([O-])c1ccccc1-c1cccc(C(=O)C2CCOCC2)c1 ZINC000582124814 332336821 /nfs/dbraw/zinc/33/68/21/332336821.db2.gz VEEYPULDLWDHIF-UHFFFAOYSA-N -1 0 310.349 3.661 20 0 DHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccccc1F)C1CCCCC1 ZINC000237579482 332377202 /nfs/dbraw/zinc/37/72/02/332377202.db2.gz HMTFRQDPBIZELI-KRWDZBQOSA-N -1 0 307.365 3.826 20 0 DHADRM Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237580334 332377312 /nfs/dbraw/zinc/37/73/12/332377312.db2.gz CKFHVZWPBNTYSV-CQSZACIVSA-N -1 0 311.381 3.503 20 0 DHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261614321 332392469 /nfs/dbraw/zinc/39/24/69/332392469.db2.gz FEMFBTZNRQIVNL-IBGZPJMESA-N -1 0 324.380 3.682 20 0 DHADRM CC(C)c1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000561014126 332401171 /nfs/dbraw/zinc/40/11/71/332401171.db2.gz KLRCTWOLOCXBJX-UHFFFAOYSA-N -1 0 321.380 3.954 20 0 DHADRM O=C([O-])C[C@@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 ZINC000561087966 332409582 /nfs/dbraw/zinc/40/95/82/332409582.db2.gz OPUOEUTXKNVXNP-LBPRGKRZSA-N -1 0 302.399 3.501 20 0 DHADRM CC(C)(C)c1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)no1 ZINC000561273772 332432070 /nfs/dbraw/zinc/43/20/70/332432070.db2.gz OOSWWKWUUUPJIG-CQSZACIVSA-N -1 0 314.385 3.551 20 0 DHADRM CCc1ccc(CC)c(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000417752832 335105967 /nfs/dbraw/zinc/10/59/67/335105967.db2.gz RUQIITAPONMJIY-UHFFFAOYSA-N -1 0 306.406 3.578 20 0 DHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000261627340 332438079 /nfs/dbraw/zinc/43/80/79/332438079.db2.gz BPGKZHNNRXHQQC-MRXNPFEDSA-N -1 0 309.365 3.639 20 0 DHADRM Cc1cc(NC(=O)C2CCC(F)(F)CC2)cc(C(=O)[O-])c1C ZINC000318085580 332597980 /nfs/dbraw/zinc/59/79/80/332597980.db2.gz OMJCRFHKJYFVLR-UHFFFAOYSA-N -1 0 311.328 3.766 20 0 DHADRM CCc1oc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000562766388 332623974 /nfs/dbraw/zinc/62/39/74/332623974.db2.gz AKPBZEJUNSANFQ-CHWSQXEVSA-N -1 0 321.417 3.875 20 0 DHADRM CN(Cc1cccc(Cl)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176950269 332963906 /nfs/dbraw/zinc/96/39/06/332963906.db2.gz LIRGWJRGFBJJPN-UHFFFAOYSA-N -1 0 311.715 3.596 20 0 DHADRM CCc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000176943923 332964928 /nfs/dbraw/zinc/96/49/28/332964928.db2.gz YVACCJUPUKIABN-SNVBAGLBSA-N -1 0 305.324 3.724 20 0 DHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108654789 333009496 /nfs/dbraw/zinc/00/94/96/333009496.db2.gz GENCVOHTYKMSAI-KGLIPLIRSA-N -1 0 303.402 3.948 20 0 DHADRM CN(CC(F)(F)F)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000179502636 333025845 /nfs/dbraw/zinc/02/58/45/333025845.db2.gz BAVHSCQLBCXDKG-UHFFFAOYSA-N -1 0 317.694 3.833 20 0 DHADRM CO[C@H](C)c1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183547614 333059120 /nfs/dbraw/zinc/05/91/20/333059120.db2.gz QHYACNVUOZLHKU-SECBINFHSA-N -1 0 307.296 3.630 20 0 DHADRM Cc1cc(NCc2ccc(Br)o2)ccc1C(=O)[O-] ZINC000378901065 333061629 /nfs/dbraw/zinc/06/16/29/333061629.db2.gz BYFCPPXCHODFSO-UHFFFAOYSA-N -1 0 310.147 3.661 20 0 DHADRM Cc1ccc(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C ZINC000580295925 333070548 /nfs/dbraw/zinc/07/05/48/333070548.db2.gz MFZQHMSIVPIFME-CQSZACIVSA-N -1 0 311.381 3.673 20 0 DHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460411260 333080890 /nfs/dbraw/zinc/08/08/90/333080890.db2.gz KSSDRIUJUMFNLQ-UHFFFAOYSA-N -1 0 323.389 3.759 20 0 DHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000007053708 333130052 /nfs/dbraw/zinc/13/00/52/333130052.db2.gz WMARQXXBOSABFB-UHFFFAOYSA-N -1 0 319.279 3.645 20 0 DHADRM CCc1ncc(S(=O)(=O)[N-]c2c(CC)cccc2CC)s1 ZINC000460799387 333143454 /nfs/dbraw/zinc/14/34/54/333143454.db2.gz ZOKIOZNLJKIOTQ-UHFFFAOYSA-N -1 0 324.471 3.631 20 0 DHADRM Cc1ccc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000390312511 333265321 /nfs/dbraw/zinc/26/53/21/333265321.db2.gz NYFGGRIMOOOGGY-HNNXBMFYSA-N -1 0 317.429 3.988 20 0 DHADRM CC(C)(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1CC1 ZINC000497778946 333289877 /nfs/dbraw/zinc/28/98/77/333289877.db2.gz RDGNOHKNALMPQM-UHFFFAOYSA-N -1 0 321.833 3.655 20 0 DHADRM Cc1c(NC(=O)c2cc(F)c([O-])c(F)c2)cnn1C1CCCC1 ZINC000192991353 333296893 /nfs/dbraw/zinc/29/68/93/333296893.db2.gz ZRLODSNFEDCWDC-UHFFFAOYSA-N -1 0 321.327 3.543 20 0 DHADRM CCc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)sc1C ZINC000388532315 333322134 /nfs/dbraw/zinc/32/21/34/333322134.db2.gz RWYZMKIPKITWSO-UHFFFAOYSA-N -1 0 317.410 3.888 20 0 DHADRM CC(C)c1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000388533666 333322384 /nfs/dbraw/zinc/32/23/84/333322384.db2.gz LBOYWHJPZIBLIL-SWLSCSKDSA-N -1 0 304.390 3.527 20 0 DHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(F)cc1[O-] ZINC000123872985 333335725 /nfs/dbraw/zinc/33/57/25/333335725.db2.gz WNAVKPFIHLHCIW-WCQYABFASA-N -1 0 317.335 3.689 20 0 DHADRM CCCN(CC(C)C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531341873 333345026 /nfs/dbraw/zinc/34/50/26/333345026.db2.gz VJZZOTIUSJLQBP-UHFFFAOYSA-N -1 0 318.446 3.527 20 0 DHADRM O=C(Nc1ccc(Oc2ccncc2)cc1)c1c([O-])cccc1F ZINC000184360394 333356397 /nfs/dbraw/zinc/35/63/97/333356397.db2.gz REMPULJZLFDIAH-UHFFFAOYSA-N -1 0 324.311 3.971 20 0 DHADRM CC[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000186426483 333373806 /nfs/dbraw/zinc/37/38/06/333373806.db2.gz AXPHMYGXXGXLOE-NSHDSACASA-N -1 0 305.324 3.594 20 0 DHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020565536 333378654 /nfs/dbraw/zinc/37/86/54/333378654.db2.gz ABZWDXBROVAYLE-ZDUSSCGKSA-N -1 0 324.163 3.549 20 0 DHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000391199531 333424179 /nfs/dbraw/zinc/42/41/79/333424179.db2.gz BEKTVUPZSVPQKC-CVEARBPZSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1sc(N2C[C@H](C)C[C@H]2c2ccccc2)nc1C(=O)[O-] ZINC000563205412 333467343 /nfs/dbraw/zinc/46/73/43/333467343.db2.gz VRCDBCAZILDPNU-MFKMUULPSA-N -1 0 302.399 3.737 20 0 DHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(C(=O)[O-])c1 ZINC000563468101 333610954 /nfs/dbraw/zinc/61/09/54/333610954.db2.gz JZBLNBLNDIAEBK-SNVBAGLBSA-N -1 0 314.312 3.793 20 0 DHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1cccc(C(=O)[O-])c1 ZINC000563468100 333611014 /nfs/dbraw/zinc/61/10/14/333611014.db2.gz JZBLNBLNDIAEBK-JTQLQIEISA-N -1 0 314.312 3.793 20 0 DHADRM [O-]c1c(-c2nc(-c3cocn3)no2)cc(Cl)c2ccccc12 ZINC000445559361 333812915 /nfs/dbraw/zinc/81/29/15/333812915.db2.gz UWLVTEMHUCKZJU-UHFFFAOYSA-N -1 0 313.700 3.904 20 0 DHADRM Cc1csc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000414093904 333895266 /nfs/dbraw/zinc/89/52/66/333895266.db2.gz OHSPZIPZLINNBX-KRWDZBQOSA-N -1 0 323.458 3.734 20 0 DHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)CC)n2)cc1 ZINC000414387696 333957399 /nfs/dbraw/zinc/95/73/99/333957399.db2.gz ZBIORHNMHLDIAV-LBPRGKRZSA-N -1 0 319.430 3.606 20 0 DHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000414435552 333974716 /nfs/dbraw/zinc/97/47/16/333974716.db2.gz AWBOETIODAJWCQ-VYDXJSESSA-N -1 0 317.429 3.651 20 0 DHADRM CC(C)[C@H]1CN(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414619831 334043684 /nfs/dbraw/zinc/04/36/84/334043684.db2.gz CADIMQZIYJZZKV-OAHLLOKOSA-N -1 0 318.417 3.601 20 0 DHADRM Cc1cc(N2CCCC2)ccc1NCc1cccc(C(=O)[O-])c1 ZINC000414639696 334050455 /nfs/dbraw/zinc/05/04/55/334050455.db2.gz QJUVXDLTZYGMML-UHFFFAOYSA-N -1 0 310.397 3.906 20 0 DHADRM CCSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000048681205 334296911 /nfs/dbraw/zinc/29/69/11/334296911.db2.gz RCDUSIXFBFOCKW-UHFFFAOYSA-N -1 0 302.424 3.905 20 0 DHADRM CSc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000048927418 334302595 /nfs/dbraw/zinc/30/25/95/334302595.db2.gz AGTKUMSBFADKES-UHFFFAOYSA-N -1 0 307.802 3.698 20 0 DHADRM CCC[C@H](CNC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000262343255 334315550 /nfs/dbraw/zinc/31/55/50/334315550.db2.gz UMQVTJIJNJXHGI-SNVBAGLBSA-N -1 0 323.389 3.580 20 0 DHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)cc(C)c1Cl ZINC000443033344 338442348 /nfs/dbraw/zinc/44/23/48/338442348.db2.gz NOTXVZICMUGBAL-UHFFFAOYSA-N -1 0 309.793 3.930 20 0 DHADRM Cc1ccc(O)c(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000534821041 334340062 /nfs/dbraw/zinc/34/00/62/334340062.db2.gz RJXLMHHKMZBZOJ-UHFFFAOYSA-N -1 0 317.295 3.767 20 0 DHADRM CC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000534940560 334349791 /nfs/dbraw/zinc/34/97/91/334349791.db2.gz LTOFMIHMASYFMH-UHFFFAOYSA-N -1 0 318.598 3.937 20 0 DHADRM Cc1ccc(Cc2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000111688094 334353722 /nfs/dbraw/zinc/35/37/22/334353722.db2.gz KADGCMCTGZGLNL-UHFFFAOYSA-N -1 0 300.745 3.995 20 0 DHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2ccc(F)cc2)no1 ZINC000111687550 334353741 /nfs/dbraw/zinc/35/37/41/334353741.db2.gz MTHWYVKSTAQCHF-UHFFFAOYSA-N -1 0 304.708 3.826 20 0 DHADRM Cc1cc(C)cc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000340904571 334389904 /nfs/dbraw/zinc/38/99/04/334389904.db2.gz TZWKJQNHWBVYGN-HNNXBMFYSA-N -1 0 317.429 3.906 20 0 DHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2Cl)s1 ZINC000342761934 334573967 /nfs/dbraw/zinc/57/39/67/334573967.db2.gz WDUBPUHFPXLXQZ-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM CO[C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000416182710 334654215 /nfs/dbraw/zinc/65/42/15/334654215.db2.gz IRJMRXHLQHLFNG-LLVKDONJSA-N -1 0 306.189 3.699 20 0 DHADRM CCCOc1cc(F)ccc1NC(=O)c1c([O-])cccc1F ZINC000188268848 334671668 /nfs/dbraw/zinc/67/16/68/334671668.db2.gz IOILXUUQVQKVAU-UHFFFAOYSA-N -1 0 307.296 3.712 20 0 DHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000330678069 334803737 /nfs/dbraw/zinc/80/37/37/334803737.db2.gz LQYWHMKTBJEPJK-XPTSAGLGSA-N -1 0 315.772 3.719 20 0 DHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000330868621 334816898 /nfs/dbraw/zinc/81/68/98/334816898.db2.gz PJPBLVFURCENJK-GZMMTYOYSA-N -1 0 304.173 3.595 20 0 DHADRM O=C(CCC1CCOCC1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330876796 334817277 /nfs/dbraw/zinc/81/72/77/334817277.db2.gz VRWDFIAQSCGTDC-UHFFFAOYSA-N -1 0 318.200 3.844 20 0 DHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128695739 334896292 /nfs/dbraw/zinc/89/62/92/334896292.db2.gz NBPNOABLMVMIHP-INIZCTEOSA-N -1 0 319.401 3.760 20 0 DHADRM Cc1ccc(F)c(CN(C)C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000444419816 338472321 /nfs/dbraw/zinc/47/23/21/338472321.db2.gz BUQUGVFFFKXXRF-UHFFFAOYSA-N -1 0 307.752 3.765 20 0 DHADRM CSc1ccsc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344039369 335211354 /nfs/dbraw/zinc/21/13/54/335211354.db2.gz BAHQYBXAXIBEDB-UHFFFAOYSA-N -1 0 321.423 3.740 20 0 DHADRM COc1cc(C)c(NC(=O)c2cc(F)c([O-])c(F)c2)cc1C ZINC000444617330 338476889 /nfs/dbraw/zinc/47/68/89/338476889.db2.gz LKMOXLQWPUCZJN-UHFFFAOYSA-N -1 0 307.296 3.548 20 0 DHADRM CC(C)Nc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cn1 ZINC000345637818 335338618 /nfs/dbraw/zinc/33/86/18/335338618.db2.gz XGINWZVKANRCQP-UHFFFAOYSA-N -1 0 323.755 3.652 20 0 DHADRM O=C([O-])Cc1cccc(NC(=O)c2c[nH]cc2-c2ccccc2)c1 ZINC000345749637 335347970 /nfs/dbraw/zinc/34/79/70/335347970.db2.gz ONCLUKTWXFHSON-UHFFFAOYSA-N -1 0 320.348 3.561 20 0 DHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000345850926 335355607 /nfs/dbraw/zinc/35/56/07/335355607.db2.gz OSFMISUKFWMJPY-HNNXBMFYSA-N -1 0 317.772 3.513 20 0 DHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC000347732385 335520885 /nfs/dbraw/zinc/52/08/85/335520885.db2.gz KABUBULTLXKGDD-UHFFFAOYSA-N 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336276842 /nfs/dbraw/zinc/27/68/42/336276842.db2.gz RRLUICARSUYFMI-UKRRQHHQSA-N -1 0 303.402 3.859 20 0 DHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000514588049 336384360 /nfs/dbraw/zinc/38/43/60/336384360.db2.gz ZQUGVOVDFJHJNI-UHFFFAOYSA-N -1 0 322.817 3.722 20 0 DHADRM CCCc1ncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353885421 336446066 /nfs/dbraw/zinc/44/60/66/336446066.db2.gz CNLGBRHWBBCCLQ-UHFFFAOYSA-N -1 0 314.769 3.846 20 0 DHADRM COc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1F ZINC000353890580 336446187 /nfs/dbraw/zinc/44/61/87/336446187.db2.gz PKUZJRDJMATEKE-UHFFFAOYSA-N -1 0 313.687 3.585 20 0 DHADRM CCc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(C)o1 ZINC000354444050 336471001 /nfs/dbraw/zinc/47/10/01/336471001.db2.gz YCLOEGJQQOYGGO-UHFFFAOYSA-N -1 0 315.156 3.810 20 0 DHADRM CC(C)Oc1ccc(Cl)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000356962899 336567474 /nfs/dbraw/zinc/56/74/74/336567474.db2.gz MHQKINRLJXPAQV-UHFFFAOYSA-N -1 0 313.781 3.567 20 0 DHADRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2C(C)C)s1 ZINC000359111176 336658302 /nfs/dbraw/zinc/65/83/02/336658302.db2.gz ZPVNLYWMMZAYKJ-UHFFFAOYSA-N -1 0 310.444 3.630 20 0 DHADRM CC[C@H]1CN(C(=O)CC(C)(C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000367392023 336784530 /nfs/dbraw/zinc/78/45/30/336784530.db2.gz KZLMLZJVOPASJM-GOEBONIOSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)CC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCC1 ZINC000362429957 336796730 /nfs/dbraw/zinc/79/67/30/336796730.db2.gz KLCSWMXDTHIVJF-UHFFFAOYSA-N -1 0 309.450 3.744 20 0 DHADRM C[C@H](CC(=O)[O-])NC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000362583920 336805217 /nfs/dbraw/zinc/80/52/17/336805217.db2.gz PCJPGSVBQKRNII-OAHLLOKOSA-N -1 0 317.429 3.549 20 0 DHADRM CSc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)o1 ZINC000362626868 336806903 /nfs/dbraw/zinc/80/69/03/336806903.db2.gz JWJKBDGXPHCQDJ-UHFFFAOYSA-N -1 0 305.355 3.569 20 0 DHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)C(=O)[O-])o1 ZINC000368011270 336834440 /nfs/dbraw/zinc/83/44/40/336834440.db2.gz XBODTINBLAPFCH-OCCSQVGLSA-N -1 0 321.417 3.643 20 0 DHADRM O=C(NC1CCC2(CCOCC2)CC1)c1ccc([O-])c(Cl)c1 ZINC000370320022 336882397 /nfs/dbraw/zinc/88/23/97/336882397.db2.gz TWXVYJRQFOFHCE-UHFFFAOYSA-N -1 0 323.820 3.515 20 0 DHADRM CC(C)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000391165696 336955123 /nfs/dbraw/zinc/95/51/23/336955123.db2.gz XAYILEDRSLOQTI-IMJJTQAJSA-N -1 0 316.401 3.527 20 0 DHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(OC)cc1C ZINC000582431991 336975061 /nfs/dbraw/zinc/97/50/61/336975061.db2.gz YLURKVQQUOMJMX-UHFFFAOYSA-N -1 0 316.353 3.776 20 0 DHADRM C[C@@H]1[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC000375170447 337005099 /nfs/dbraw/zinc/00/50/99/337005099.db2.gz GHAOROPMVTZRSJ-NKFCBESUSA-N -1 0 317.335 3.592 20 0 DHADRM CN(C(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000375698484 337017074 /nfs/dbraw/zinc/01/70/74/337017074.db2.gz SXVYIIMTPMWGAS-GFCCVEGCSA-N -1 0 322.430 3.578 20 0 DHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000378471285 337073637 /nfs/dbraw/zinc/07/36/37/337073637.db2.gz DDOQKZYQYMKHMY-HNNXBMFYSA-N -1 0 309.450 3.696 20 0 DHADRM CCCOc1cncc(-c2ccc(F)cc2CCC(=O)[O-])c1 ZINC000582498022 337102055 /nfs/dbraw/zinc/10/20/55/337102055.db2.gz IJZXDJZLRZYUPS-UHFFFAOYSA-N -1 0 303.333 3.694 20 0 DHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000582531073 337105575 /nfs/dbraw/zinc/10/55/75/337105575.db2.gz NVOSGMKVXAUSAE-ISZGNANSSA-N -1 0 316.357 3.591 20 0 DHADRM O=S(=O)([N-]c1ccsc1)c1ccccc1C(F)(F)F ZINC000174252308 337140140 /nfs/dbraw/zinc/14/01/40/337140140.db2.gz UJOFUHRMWDXZFJ-UHFFFAOYSA-N -1 0 307.318 3.568 20 0 DHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)s1 ZINC000175687947 337147065 /nfs/dbraw/zinc/14/70/65/337147065.db2.gz YIFYOSJGKUOEKR-UHFFFAOYSA-N -1 0 316.835 3.523 20 0 DHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc2ccccc21 ZINC000183752783 337193324 /nfs/dbraw/zinc/19/33/24/337193324.db2.gz SIEJOLQCWXYSOD-NSHDSACASA-N -1 0 309.321 3.622 20 0 DHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000583034893 337232030 /nfs/dbraw/zinc/23/20/30/337232030.db2.gz PETJXXBRJSJBQF-IUCAKERBSA-N -1 0 318.200 3.672 20 0 DHADRM C[C@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC000583214694 337274373 /nfs/dbraw/zinc/27/43/73/337274373.db2.gz IZEATARMOSLRQJ-VQCLRJIVSA-N -1 0 309.450 3.600 20 0 DHADRM COc1ccc(F)c(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000321532190 337275202 /nfs/dbraw/zinc/27/52/02/337275202.db2.gz SFTCXKAAQGHZDD-UHFFFAOYSA-N -1 0 311.312 3.945 20 0 DHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000321636789 337281315 /nfs/dbraw/zinc/28/13/15/337281315.db2.gz INUHFQWXKDJUIV-CYBMUJFWSA-N -1 0 320.433 3.853 20 0 DHADRM CCNc1cc(C)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000191384578 337296363 /nfs/dbraw/zinc/29/63/63/337296363.db2.gz ATHHHGQHESIRSP-UHFFFAOYSA-N -1 0 324.302 3.802 20 0 DHADRM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ncccc2O)c2ccccc21 ZINC000525948696 337302801 /nfs/dbraw/zinc/30/28/01/337302801.db2.gz SENKRKKHOYJBNK-YOEHRIQHSA-N -1 0 324.424 3.721 20 0 DHADRM CC(C)(C)c1csc(NC(=O)c2cc(-c3ccco3)[nH]n2)n1 ZINC000030605913 337390251 /nfs/dbraw/zinc/39/02/51/337390251.db2.gz SODGHHJWGFGWPT-UHFFFAOYSA-N -1 0 316.386 3.676 20 0 DHADRM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cccs1 ZINC000047417275 337429975 /nfs/dbraw/zinc/42/99/75/337429975.db2.gz JZHQTTDCOQEOBM-UHFFFAOYSA-N -1 0 322.436 3.672 20 0 DHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCC2CC2)cc1 ZINC000236602848 337464069 /nfs/dbraw/zinc/46/40/69/337464069.db2.gz ZLEOCJXIKUZHBX-MRXNPFEDSA-N -1 0 317.429 3.806 20 0 DHADRM CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236815008 337465673 /nfs/dbraw/zinc/46/56/73/337465673.db2.gz VDHXBXXPNUYOPE-HNNXBMFYSA-N -1 0 305.418 3.806 20 0 DHADRM CCC[C@](C)(NC(=O)CCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236802266 337465682 /nfs/dbraw/zinc/46/56/82/337465682.db2.gz AINGSVFFKFYMCH-SFHVURJKSA-N -1 0 305.418 3.502 20 0 DHADRM CC[C@@H](C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000236893355 337465817 /nfs/dbraw/zinc/46/58/17/337465817.db2.gz WRWHQBDBAKCZGG-MRVPVSSYSA-N -1 0 322.748 3.792 20 0 DHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236971384 337466692 /nfs/dbraw/zinc/46/66/92/337466692.db2.gz IVNQTRHNSMLJEW-IEAZIUSSSA-N -1 0 317.429 3.529 20 0 DHADRM CC[C@H](C)[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000236975185 337466745 /nfs/dbraw/zinc/46/67/45/337466745.db2.gz FCIRMDGODIRXDQ-LKFCYVNXSA-N -1 0 317.385 3.587 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC000237564712 337468962 /nfs/dbraw/zinc/46/89/62/337468962.db2.gz OXEFMLSHOIRREO-JTQLQIEISA-N -1 0 319.357 3.643 20 0 DHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000237624161 337469001 /nfs/dbraw/zinc/46/90/01/337469001.db2.gz MQNSGBAIBZCBFU-NHYWBVRUSA-N -1 0 317.772 3.532 20 0 DHADRM O=C([O-])CCCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237983485 337469819 /nfs/dbraw/zinc/46/98/19/337469819.db2.gz SLXDFDOPMXRHFJ-UHFFFAOYSA-N -1 0 317.772 3.602 20 0 DHADRM O=C([O-])c1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000238220935 337470054 /nfs/dbraw/zinc/47/00/54/337470054.db2.gz XQMPHZLDMQHKLL-UHFFFAOYSA-N -1 0 313.328 3.584 20 0 DHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000161978271 337600729 /nfs/dbraw/zinc/60/07/29/337600729.db2.gz PYRBXKSYNJKIFW-UHFFFAOYSA-N -1 0 324.471 3.804 20 0 DHADRM Cc1c(F)c(C(=O)[O-])ccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000572304343 337605654 /nfs/dbraw/zinc/60/56/54/337605654.db2.gz MVZDVCJIAFREGZ-CQSZACIVSA-N -1 0 316.328 3.667 20 0 DHADRM Cc1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)ccc1C(=O)[O-] ZINC000261884187 337612094 /nfs/dbraw/zinc/61/20/94/337612094.db2.gz RPQQITUDZRNRKA-XLIONFOSSA-N -1 0 321.376 3.536 20 0 DHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1coc2ccccc12 ZINC000262045160 337614685 /nfs/dbraw/zinc/61/46/85/337614685.db2.gz AWFPNSSZYAEKNI-DZGCQCFKSA-N -1 0 315.369 3.586 20 0 DHADRM CC[C@H](CC(=O)NC(CC)(CC)CC(=O)[O-])c1ccccc1 ZINC000262109772 337615211 /nfs/dbraw/zinc/61/52/11/337615211.db2.gz NZZFKZPKEDZNNX-CQSZACIVSA-N -1 0 305.418 3.720 20 0 DHADRM O=C([O-])C1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000262188957 337615810 /nfs/dbraw/zinc/61/58/10/337615810.db2.gz YEVINSFYELQKDV-UHFFFAOYSA-N -1 0 322.817 3.765 20 0 DHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC000262341861 337616982 /nfs/dbraw/zinc/61/69/82/337616982.db2.gz CSOANMQHKAVWPO-UHFFFAOYSA-N -1 0 317.410 3.682 20 0 DHADRM C[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)[C@H]1CC2CCC1CC2 ZINC000572370466 337617667 /nfs/dbraw/zinc/61/76/67/337617667.db2.gz RNFHSRZNNKYDRD-NELRACOOSA-N -1 0 321.461 3.599 20 0 DHADRM CC(C)CC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCC1 ZINC000262462012 337618473 /nfs/dbraw/zinc/61/84/73/337618473.db2.gz XRYKQZWYVNMRSS-UHFFFAOYSA-N -1 0 303.402 3.859 20 0 DHADRM CCC1CCC(N(C)C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000262478028 337618517 /nfs/dbraw/zinc/61/85/17/337618517.db2.gz XOCXQMQKPDEYFO-UHFFFAOYSA-N -1 0 307.365 3.565 20 0 DHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262494708 337618688 /nfs/dbraw/zinc/61/86/88/337618688.db2.gz XFSHOGUZWVWJND-HOTGVXAUSA-N -1 0 321.461 3.696 20 0 DHADRM COCCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCC1 ZINC000262549281 337619175 /nfs/dbraw/zinc/61/91/75/337619175.db2.gz SSSBEVKEWUCGTD-UHFFFAOYSA-N -1 0 319.401 3.537 20 0 DHADRM CCCC[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262554475 337619226 /nfs/dbraw/zinc/61/92/26/337619226.db2.gz XYNVUUFLSPORNO-GOEBONIOSA-N -1 0 305.418 3.578 20 0 DHADRM O=C([O-])CC1(CC(=O)Nc2cccc3ccncc32)CCCC1 ZINC000321395217 337619431 /nfs/dbraw/zinc/61/94/31/337619431.db2.gz GXTBXKUAVPEECX-UHFFFAOYSA-N -1 0 312.369 3.599 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262814062 337621569 /nfs/dbraw/zinc/62/15/69/337621569.db2.gz PKEPBDISMLVAJQ-IDHHARJASA-N -1 0 317.429 3.638 20 0 DHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262814075 337621570 /nfs/dbraw/zinc/62/15/70/337621570.db2.gz PKEPBDISMLVAJQ-SIXWZSSISA-N -1 0 317.429 3.638 20 0 DHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccccc3)CC2)c1 ZINC000262829101 337621743 /nfs/dbraw/zinc/62/17/43/337621743.db2.gz BIWNYZRIUNAAQY-CYBMUJFWSA-N -1 0 309.365 3.545 20 0 DHADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCCCC2 ZINC000262869201 337622050 /nfs/dbraw/zinc/62/20/50/337622050.db2.gz CNNVNRLSSDBIBL-BZUAXINKSA-N -1 0 321.461 3.696 20 0 DHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000262950987 337622563 /nfs/dbraw/zinc/62/25/63/337622563.db2.gz ITLQQUVREWDCDZ-SJORKVTESA-N -1 0 315.413 3.560 20 0 DHADRM CCC[C@H](CC1CCCCC1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263005707 337622896 /nfs/dbraw/zinc/62/28/96/337622896.db2.gz MTMHYCNAIXKHSZ-CHWSQXEVSA-N -1 0 319.392 3.598 20 0 DHADRM CCc1ccccc1CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263047121 337623502 /nfs/dbraw/zinc/62/35/02/337623502.db2.gz DOSADSMFCCZPHT-CYBMUJFWSA-N -1 0 311.381 3.618 20 0 DHADRM COc1cc(NC(=O)C[C@H]2CCC[C@H](C)C2)ccc1C(=O)[O-] ZINC000263081253 337624139 /nfs/dbraw/zinc/62/41/39/337624139.db2.gz ZETSQOVQPSHIGM-RYUDHWBXSA-N -1 0 305.374 3.548 20 0 DHADRM CCC[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])C(C)C ZINC000263099622 337624393 /nfs/dbraw/zinc/62/43/93/337624393.db2.gz ITQOPXOVHODFQQ-BPUTZDHNSA-N -1 0 305.418 3.637 20 0 DHADRM CCCC1(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CCC1 ZINC000263134325 337624762 /nfs/dbraw/zinc/62/47/62/337624762.db2.gz LWOQFNLIUSLAPY-INIZCTEOSA-N -1 0 317.429 3.549 20 0 DHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263179208 337625126 /nfs/dbraw/zinc/62/51/26/337625126.db2.gz RCDREBNFAFPDCS-CRAIPNDOSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1ccccc1CCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263187757 337625278 /nfs/dbraw/zinc/62/52/78/337625278.db2.gz IBEATLXLVFJWCX-AWEZNQCLSA-N -1 0 311.381 3.754 20 0 DHADRM Cc1ccc2c(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)csc2c1 ZINC000263204653 337625396 /nfs/dbraw/zinc/62/53/96/337625396.db2.gz MTZBYDHCGZTWSY-RYUDHWBXSA-N -1 0 317.410 3.535 20 0 DHADRM CC(C)(C)c1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263219011 337625574 /nfs/dbraw/zinc/62/55/74/337625574.db2.gz ORMWUMOJBHIAER-UHFFFAOYSA-N -1 0 317.410 3.674 20 0 DHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000263220365 337625585 /nfs/dbraw/zinc/62/55/85/337625585.db2.gz YOYPEBDZPCKSSM-MLGOLLRUSA-N -1 0 317.429 3.662 20 0 DHADRM Cc1ccc2c(C(=O)N(CCC(=O)[O-])CC(C)C)csc2c1 ZINC000263161539 337625589 /nfs/dbraw/zinc/62/55/89/337625589.db2.gz OUTXQUQEOVMLFH-UHFFFAOYSA-N -1 0 319.426 3.783 20 0 DHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1 ZINC000263348148 337626716 /nfs/dbraw/zinc/62/67/16/337626716.db2.gz UTUPTMDDIMMQHW-RDTXWAMCSA-N -1 0 323.392 3.711 20 0 DHADRM Cc1ccc(C)c(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263357818 337626743 /nfs/dbraw/zinc/62/67/43/337626743.db2.gz XOWZFSHTJUTDKS-CQSZACIVSA-N -1 0 311.381 3.673 20 0 DHADRM CCc1c(C)sc(NC(=O)CCc2ccsc2)c1C(=O)[O-] ZINC000263384107 337627331 /nfs/dbraw/zinc/62/73/31/337627331.db2.gz BUKOBQYTLRPALV-UHFFFAOYSA-N -1 0 323.439 3.950 20 0 DHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1cccc(N2CCCC2)c1 ZINC000263406674 337627927 /nfs/dbraw/zinc/62/79/27/337627927.db2.gz KVMSFTQOXFNXRC-ZDUSSCGKSA-N -1 0 311.385 3.553 20 0 DHADRM CC(C)(C)[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)c2ccccc21 ZINC000263578630 337631738 /nfs/dbraw/zinc/63/17/38/337631738.db2.gz SVUTVCZZTYBKQA-CYBMUJFWSA-N -1 0 324.380 3.570 20 0 DHADRM O=C([O-])c1csc(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000191330318 337676086 /nfs/dbraw/zinc/67/60/86/337676086.db2.gz JDWNJAHEWSFOSD-UHFFFAOYSA-N -1 0 315.803 3.733 20 0 DHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191354786 337678233 /nfs/dbraw/zinc/67/82/33/337678233.db2.gz UDRQZGOWMRBPOA-GFCCVEGCSA-N -1 0 321.423 3.956 20 0 DHADRM CC(C)c1ccsc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000422575907 337682959 /nfs/dbraw/zinc/68/29/59/337682959.db2.gz PVUKBDIVFIXZIU-UHFFFAOYSA-N -1 0 321.373 3.890 20 0 DHADRM C[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000396918138 337735234 /nfs/dbraw/zinc/73/52/34/337735234.db2.gz MLLMLYGJJOXPKS-LLVKDONJSA-N -1 0 323.355 3.506 20 0 DHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424252101 337812633 /nfs/dbraw/zinc/81/26/33/337812633.db2.gz JYYGYGQKYGFRHI-IUODEOHRSA-N -1 0 321.442 3.512 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424396596 337830234 /nfs/dbraw/zinc/83/02/34/337830234.db2.gz HNFDOJBPUWKLHM-OAHLLOKOSA-N -1 0 320.433 3.526 20 0 DHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3)sc2c1 ZINC000057717482 337863810 /nfs/dbraw/zinc/86/38/10/337863810.db2.gz OVGKNDTUUPOSHN-UHFFFAOYSA-N -1 0 322.386 3.545 20 0 DHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000120208311 337871548 /nfs/dbraw/zinc/87/15/48/337871548.db2.gz PARWAAGQIWKEBE-CYBMUJFWSA-N -1 0 311.381 3.998 20 0 DHADRM CCOc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000121740030 337898647 /nfs/dbraw/zinc/89/86/47/337898647.db2.gz UZNLMZQUYHYDJT-UHFFFAOYSA-N -1 0 321.760 3.705 20 0 DHADRM O=C([O-])C1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 ZINC000217447921 337921193 /nfs/dbraw/zinc/92/11/93/337921193.db2.gz FMHUOKPUURWFIU-UHFFFAOYSA-N -1 0 313.756 3.843 20 0 DHADRM Cc1ccc(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000537756651 337960738 /nfs/dbraw/zinc/96/07/38/337960738.db2.gz XTUWMPWAEGFWQM-UHFFFAOYSA-N -1 0 324.163 3.829 20 0 DHADRM C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@@H]1C ZINC000514949344 337974868 /nfs/dbraw/zinc/97/48/68/337974868.db2.gz IYSBMPMWAKFJPQ-ZJUUUORDSA-N -1 0 301.308 3.529 20 0 DHADRM Cc1cc(NC(=O)Cc2cccc(Cl)c2)cc(C(=O)[O-])c1C ZINC000315061279 337980287 /nfs/dbraw/zinc/98/02/87/337980287.db2.gz QRTCUYIBDXLVSV-UHFFFAOYSA-N -1 0 317.772 3.836 20 0 DHADRM CC(C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccs1 ZINC000446170637 338522238 /nfs/dbraw/zinc/52/22/38/338522238.db2.gz FOMBUUFCKPNFFW-UHFFFAOYSA-N -1 0 313.781 3.911 20 0 DHADRM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516086516 338004333 /nfs/dbraw/zinc/00/43/33/338004333.db2.gz YVGPJJQIQQOXSR-VHSXEESVSA-N -1 0 301.308 3.672 20 0 DHADRM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(CC)cc1 ZINC000516337636 338011034 /nfs/dbraw/zinc/01/10/34/338011034.db2.gz UBXLDLYVGYXSKW-QGZVFWFLSA-N -1 0 316.422 3.684 20 0 DHADRM Cc1nc(CNCc2ccc(CC(C)C)cc2)sc1C(=O)[O-] ZINC000426672423 338037765 /nfs/dbraw/zinc/03/77/65/338037765.db2.gz RCZPEABVDDZWJE-UHFFFAOYSA-N -1 0 318.442 3.638 20 0 DHADRM O=C([O-])c1coc(CNCc2c(Cl)cccc2Cl)c1 ZINC000426686729 338038060 /nfs/dbraw/zinc/03/80/60/338038060.db2.gz GQTOEGWZVFLJEZ-UHFFFAOYSA-N -1 0 300.141 3.574 20 0 DHADRM O=C([O-])c1ccc(CNCc2nc(-c3ccccc3)cs2)cc1 ZINC000426684665 338038137 /nfs/dbraw/zinc/03/81/37/338038137.db2.gz ARTNVLFJPPXSRG-UHFFFAOYSA-N -1 0 324.405 3.798 20 0 DHADRM Cc1cccc([C@@H](NCc2coc3ccccc23)C(=O)[O-])c1C ZINC000426734804 338039799 /nfs/dbraw/zinc/03/97/99/338039799.db2.gz RCXMDQNVDMKULF-GOSISDBHSA-N -1 0 309.365 3.965 20 0 DHADRM C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000426741066 338040145 /nfs/dbraw/zinc/04/01/45/338040145.db2.gz DGFFLCZOFLCNHY-LRDDRELGSA-N -1 0 303.789 3.892 20 0 DHADRM C[C@H](CCCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000430297251 338104616 /nfs/dbraw/zinc/10/46/16/338104616.db2.gz ADTSIXISSUIOGW-OAHLLOKOSA-N -1 0 317.429 3.549 20 0 DHADRM CC(C)(CCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000430329324 338105128 /nfs/dbraw/zinc/10/51/28/338105128.db2.gz GYYUKRRLDHJDMD-UHFFFAOYSA-N -1 0 317.429 3.648 20 0 DHADRM Cc1ccc(C)c2[nH]c(-c3ccc(OCCC(=O)[O-])cc3)nc21 ZINC000430942447 338119262 /nfs/dbraw/zinc/11/92/62/338119262.db2.gz LWKJNWHPNBWJBY-UHFFFAOYSA-N -1 0 310.353 3.700 20 0 DHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)CCCc1ccccc1)C(=O)[O-] ZINC000431539692 338133301 /nfs/dbraw/zinc/13/33/01/338133301.db2.gz RPMAGKPTRBPBFX-RDJZCZTQSA-N -1 0 319.445 3.509 20 0 DHADRM Cn1ncc(Cl)c1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431543295 338133423 /nfs/dbraw/zinc/13/34/23/338133423.db2.gz GVYLPSCLPPPSDJ-SNAWJCMRSA-N -1 0 319.773 3.552 20 0 DHADRM C[C@H]1C[C@@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000431656331 338135680 /nfs/dbraw/zinc/13/56/80/338135680.db2.gz XNFUQUJAYKAXNA-QWHCGFSZSA-N -1 0 319.401 3.551 20 0 DHADRM CC1(C)CCC(CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000431666969 338136035 /nfs/dbraw/zinc/13/60/35/338136035.db2.gz WPLNOSZBDVXKPE-UHFFFAOYSA-N -1 0 319.401 3.695 20 0 DHADRM CC[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000431792452 338139011 /nfs/dbraw/zinc/13/90/11/338139011.db2.gz CPTGWGAJMAFNAC-INIZCTEOSA-N -1 0 315.344 3.585 20 0 DHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431883751 338140905 /nfs/dbraw/zinc/14/09/05/338140905.db2.gz SRFSXNNBZAEJHD-OGHNNQOOSA-N -1 0 313.397 3.764 20 0 DHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431883750 338140965 /nfs/dbraw/zinc/14/09/65/338140965.db2.gz SRFSXNNBZAEJHD-GDZNZVCISA-N -1 0 313.397 3.764 20 0 DHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](C(C)(C)C)C2)s[n-]1 ZINC000432084144 338145305 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CCN(CC(C)(C)C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000568211314 341658698 /nfs/dbraw/zinc/65/86/98/341658698.db2.gz ZANGFTYGPMWFDM-UHFFFAOYSA-N -1 0 303.324 3.919 20 0 DHADRM Cc1cc(-c2ccc(F)cc2C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000568265237 341662104 /nfs/dbraw/zinc/66/21/04/341662104.db2.gz RDTGXSNZVJPJOI-AWEZNQCLSA-N -1 0 316.328 3.667 20 0 DHADRM CCCOc1cncc(-c2cc(C)ccc2OCCC(=O)[O-])c1 ZINC000568264965 341662204 /nfs/dbraw/zinc/66/22/04/341662204.db2.gz IIMKWFPIZOUUGU-UHFFFAOYSA-N -1 0 315.369 3.699 20 0 DHADRM CCOCc1ccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CO3)cc1F ZINC000572986514 341712322 /nfs/dbraw/zinc/71/23/22/341712322.db2.gz KGZDZPCDQZGAOW-HNNXBMFYSA-N -1 0 316.328 3.590 20 0 DHADRM Cc1sc(N2CCC[C@H]2c2ccc(C)cc2)nc1C(=O)[O-] ZINC000573924770 341743395 /nfs/dbraw/zinc/74/33/95/341743395.db2.gz XIZDYCLRCSCCFZ-ZDUSSCGKSA-N -1 0 302.399 3.800 20 0 DHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000574046511 341746938 /nfs/dbraw/zinc/74/69/38/341746938.db2.gz 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/nfs/dbraw/zinc/81/10/36/341811036.db2.gz OTRJKFWRJLFJMS-UHFFFAOYSA-N -1 0 318.398 3.744 20 0 DHADRM COc1cccc(-c2ccc(CCC(=O)[O-])cc2C)c1OC ZINC000576292347 341838831 /nfs/dbraw/zinc/83/88/31/341838831.db2.gz LGJZAQYDONPTGG-UHFFFAOYSA-N -1 0 300.354 3.696 20 0 DHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000576358448 341842313 /nfs/dbraw/zinc/84/23/13/341842313.db2.gz FLSISIAEJGGOIZ-UHFFFAOYSA-N -1 0 312.341 3.811 20 0 DHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(Cl)s2)cs1 ZINC000192736698 341885199 /nfs/dbraw/zinc/88/51/99/341885199.db2.gz UCPVQGDGRVTBDB-UHFFFAOYSA-N -1 0 322.864 3.677 20 0 DHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000577285573 341902529 /nfs/dbraw/zinc/90/25/29/341902529.db2.gz FDBDGYZUNUFWLW-UONOGXRCSA-N -1 0 317.385 3.547 20 0 DHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(F)c(F)c1F ZINC000177336054 341918778 /nfs/dbraw/zinc/91/87/78/341918778.db2.gz DSASEKCOTSVFNU-UHFFFAOYSA-N -1 0 301.651 3.715 20 0 DHADRM C/C=C\C[C@H](NC(=O)c1oc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000577692840 341929460 /nfs/dbraw/zinc/92/94/60/341929460.db2.gz WKAHAMIVQCIDRZ-MVZIDQBPSA-N -1 0 321.760 3.544 20 0 DHADRM CC(C)(C(=O)NCCCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000236704868 518520908 /nfs/dbraw/zinc/52/09/08/518520908.db2.gz CQILAAJNOIRVFS-UHFFFAOYSA-N -1 0 323.408 3.645 20 0 DHADRM CC(C)N(CC1CCC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000193011139 519640898 /nfs/dbraw/zinc/64/08/98/519640898.db2.gz UCCCWWPIKGRFIH-UHFFFAOYSA-N -1 0 304.415 3.767 20 0 DHADRM CC(C)[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1 ZINC000236670191 519792733 /nfs/dbraw/zinc/79/27/33/519792733.db2.gz UOAVBBMWZIBBOF-OAHLLOKOSA-N -1 0 305.418 3.576 20 0 DHADRM CC(C)[C@H](CC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC000364196333 519813509 /nfs/dbraw/zinc/81/35/09/519813509.db2.gz QJSXNNIFSFEYKP-INIZCTEOSA-N -1 0 317.429 3.530 20 0 DHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136142080 519839746 /nfs/dbraw/zinc/83/97/46/519839746.db2.gz DXPMXFYGQYSSFK-PBHICJAKSA-N -1 0 317.429 3.627 20 0 DHADRM CCCCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263064313 519914254 /nfs/dbraw/zinc/91/42/54/519914254.db2.gz QUHWAFVYKIDRHY-AWEZNQCLSA-N -1 0 318.200 3.600 20 0 DHADRM CCCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1OC ZINC000109849515 520320815 /nfs/dbraw/zinc/32/08/15/520320815.db2.gz DLFFGIZZCCANSW-FNORWQNLSA-N -1 0 319.382 3.809 20 0 DHADRM CCC[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000194384487 520728723 /nfs/dbraw/zinc/72/87/23/520728723.db2.gz XCRXWFQOTWBAOB-UYSNPLJNSA-N -1 0 303.402 3.535 20 0 DHADRM CC1CC(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000262927889 520907241 /nfs/dbraw/zinc/90/72/41/520907241.db2.gz LBCUCXPCXQUYIC-UHFFFAOYSA-N -1 0 309.365 3.580 20 0 DHADRM CCCCS[C@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236784707 520974922 /nfs/dbraw/zinc/97/49/22/520974922.db2.gz IOJPDBZQYYTNTR-GFCCVEGCSA-N -1 0 309.431 3.564 20 0 DHADRM CCCC[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC000236868728 521215305 /nfs/dbraw/zinc/21/53/05/521215305.db2.gz RREGZOUHGJXLMV-HNNXBMFYSA-N -1 0 321.417 3.544 20 0 DHADRM CCN(Cc1cccc(Cl)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194392391 521341492 /nfs/dbraw/zinc/34/14/92/521341492.db2.gz QKGWWYQVFIQRAK-UHFFFAOYSA-N -1 0 323.820 3.580 20 0 DHADRM CCc1oc(C(=O)N2CCC[C@H]2CC(C)(C)C)cc1C(=O)[O-] ZINC000339089299 522975815 /nfs/dbraw/zinc/97/58/15/522975815.db2.gz PEZHEVWQGHQALW-NSHDSACASA-N -1 0 307.390 3.581 20 0 DHADRM CC[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000182825173 523141392 /nfs/dbraw/zinc/14/13/92/523141392.db2.gz OVGLHLGZCGRXAL-IUCAKERBSA-N -1 0 301.308 3.508 20 0 DHADRM Cc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237601522 524165121 /nfs/dbraw/zinc/16/51/21/524165121.db2.gz ARGIPBYNEADJTP-UHFFFAOYSA-N -1 0 311.381 3.502 20 0 DHADRM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccn1 ZINC000339349016 524244850 /nfs/dbraw/zinc/24/48/50/524244850.db2.gz XRQIRIPWJLGQSN-MRVPVSSYSA-N -1 0 311.168 3.836 20 0 DHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)c1ccccc1 ZINC000262556818 524245744 /nfs/dbraw/zinc/24/57/44/524245744.db2.gz VDDKYYIWSWQVNA-UHFFFAOYSA-N -1 0 311.381 3.918 20 0 DHADRM C[C@@H]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000194440986 524604113 /nfs/dbraw/zinc/60/41/13/524604113.db2.gz HDWFFTCHGQXWIG-QROZZAMVSA-N -1 0 315.413 3.632 20 0 DHADRM Cc1cc(NC(=O)C(C)(C)c2cccs2)ccc1C(=O)[O-] ZINC000237687277 525114412 /nfs/dbraw/zinc/11/44/12/525114412.db2.gz HOKXGEIGOCXLTP-UHFFFAOYSA-N -1 0 303.383 3.671 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC000364167162 525226051 /nfs/dbraw/zinc/22/60/51/525226051.db2.gz GXYGLTWQUGEXPV-KGLIPLIRSA-N -1 0 309.450 3.552 20 0 DHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)C1CCCC1 ZINC000190947532 525367940 /nfs/dbraw/zinc/36/79/40/525367940.db2.gz OLYBKXJVRCOHKJ-UHFFFAOYSA-N -1 0 319.401 3.613 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(C)C ZINC000245706347 525427326 /nfs/dbraw/zinc/42/73/26/525427326.db2.gz MNDVCHDNKRCPLI-BFYDXBDKSA-N -1 0 317.429 3.699 20 0 DHADRM CSCc1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000183627518 525739730 /nfs/dbraw/zinc/73/97/30/525739730.db2.gz KDVZDOKYRKRKAL-UHFFFAOYSA-N -1 0 307.415 3.523 20 0 DHADRM Cc1ccsc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237769194 525827685 /nfs/dbraw/zinc/82/76/85/525827685.db2.gz YJENBORJJVREDM-UHFFFAOYSA-N -1 0 319.382 3.552 20 0 DHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000337163347 525868798 /nfs/dbraw/zinc/86/87/98/525868798.db2.gz WQMBDSKFVUGXNE-UHFFFAOYSA-N -1 0 311.403 3.874 20 0 DHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCCCCCC(=O)[O-] ZINC000237788248 525876261 /nfs/dbraw/zinc/87/62/61/525876261.db2.gz NYVUYHZDWYQMGI-KGLIPLIRSA-N -1 0 323.458 3.701 20 0 DHADRM C[C@@H](Sc1ccccc1C(=O)N(C)CC1CCCC1)C(=O)[O-] ZINC000237365412 525992146 /nfs/dbraw/zinc/99/21/46/525992146.db2.gz UBNPGWSWWLRFSF-GFCCVEGCSA-N -1 0 321.442 3.514 20 0 DHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H](C)C1CCCC1)C(=O)[O-] ZINC000263529321 525995060 /nfs/dbraw/zinc/99/50/60/525995060.db2.gz LPTFPRNDPPNXLX-RYUDHWBXSA-N -1 0 321.442 3.560 20 0 DHADRM CSc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000237281067 526024734 /nfs/dbraw/zinc/02/47/34/526024734.db2.gz BSUPLZRUANUCET-UHFFFAOYSA-N -1 0 301.795 3.501 20 0 DHADRM C[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccs1 ZINC000262471796 526132192 /nfs/dbraw/zinc/13/21/92/526132192.db2.gz JMFDTFAHTMRXLJ-NSHDSACASA-N -1 0 317.410 3.853 20 0 DHADRM Cc1ccc(C(C)(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000237634414 526243566 /nfs/dbraw/zinc/24/35/66/526243566.db2.gz LKSVLEHIMVZFEO-UHFFFAOYSA-N -1 0 311.381 3.538 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)s1 ZINC000237975295 526360334 /nfs/dbraw/zinc/36/03/34/526360334.db2.gz CQUDWGYVXCUJAX-LLVKDONJSA-N -1 0 319.382 3.797 20 0 DHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000237976790 526361911 /nfs/dbraw/zinc/36/19/11/526361911.db2.gz HBICWEQMNCPXHU-GOSISDBHSA-N -1 0 323.392 3.622 20 0 DHADRM O=C([O-])c1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000238200758 526386786 /nfs/dbraw/zinc/38/67/86/526386786.db2.gz XNBZMJPFWODSDK-UHFFFAOYSA-N -1 0 301.386 3.570 20 0 DHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000269080604 526465404 /nfs/dbraw/zinc/46/54/04/526465404.db2.gz CSXSCKBVJSVZOD-UHFFFAOYSA-N -1 0 317.370 3.789 20 0 DHADRM Cc1nc(C(=O)N2CCC[C@@H](C)c3ccccc32)ccc1C(=O)[O-] ZINC000263374432 526639617 /nfs/dbraw/zinc/63/96/17/526639617.db2.gz ZWWQFFJNVSAUFR-GFCCVEGCSA-N -1 0 324.380 3.632 20 0 DHADRM O=C([O-])C1(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000180197028 527554228 /nfs/dbraw/zinc/55/42/28/527554228.db2.gz KAUMRWSHLJKJMB-UHFFFAOYSA-N -1 0 305.399 3.525 20 0 DHADRM O=C([O-])C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000262400763 527563112 /nfs/dbraw/zinc/56/31/12/527563112.db2.gz JWYHGXBPYBOVIQ-UHFFFAOYSA-N -1 0 324.380 3.741 20 0 DHADRM O=C([O-])CCCCC(=O)Nc1cccc(SC(F)F)c1 ZINC000263234449 527577203 /nfs/dbraw/zinc/57/72/03/527577203.db2.gz BMMJYQYLJVVNSL-UHFFFAOYSA-N -1 0 303.330 3.585 20 0 DHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238121332 527578840 /nfs/dbraw/zinc/57/88/40/527578840.db2.gz NMAZESJDEQHGLO-LSDHHAIUSA-N -1 0 323.820 3.595 20 0 DHADRM O=C([O-])CC[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000193452847 527598481 /nfs/dbraw/zinc/59/84/81/527598481.db2.gz ADBXMUOPVVQQNP-INIZCTEOSA-N -1 0 322.364 3.504 20 0 DHADRM O=C([O-])[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc2ccccc2c1 ZINC000249384194 527652974 /nfs/dbraw/zinc/65/29/74/527652974.db2.gz WCRVWGSSRHLEHO-MLHJIOFPSA-N -1 0 323.392 3.518 20 0 DHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)no1 ZINC000288520458 535370106 /nfs/dbraw/zinc/37/01/06/535370106.db2.gz GHOQWJLIDSISJL-UHFFFAOYSA-N -1 0 316.329 3.536 20 0 DHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000274757554 535450235 /nfs/dbraw/zinc/45/02/35/535450235.db2.gz YBQSSTBCRYGCGR-GXSJLCMTSA-N -1 0 315.772 3.719 20 0 DHADRM C[C@H](C1CC1)N(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000032106269 563923819 /nfs/dbraw/zinc/92/38/19/563923819.db2.gz PQVQNTLQZMCJDM-CYBMUJFWSA-N -1 0 309.365 3.830 20 0 DHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000738851168 599744947 /nfs/dbraw/zinc/74/49/47/599744947.db2.gz IILOGBOQICEEAV-UHFFFAOYSA-N -1 0 324.427 3.662 20 0 DHADRM O=C([O-])Cc1ccccc1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000819597706 596976740 /nfs/dbraw/zinc/97/67/40/596976740.db2.gz TVXMEJTWDYELIM-UHFFFAOYSA-N -1 0 323.392 3.665 20 0 DHADRM COc1ccc(-c2nc(CS[C@H](C)C(=O)[O-])cs2)cc1 ZINC000739880883 597071330 /nfs/dbraw/zinc/07/13/30/597071330.db2.gz ZYBBBSWVUMNITL-SECBINFHSA-N -1 0 309.412 3.525 20 0 DHADRM CC(C)c1cccc(C(C)C)c1NC(=S)NCCC(=O)[O-] ZINC000738876745 597109354 /nfs/dbraw/zinc/10/93/54/597109354.db2.gz ORJHVYQXFGJROV-UHFFFAOYSA-N -1 0 308.447 3.695 20 0 DHADRM O=C([O-])Cc1cccc(NCc2ccc(OCC(F)F)cc2)c1 ZINC000819579555 597138220 /nfs/dbraw/zinc/13/82/20/597138220.db2.gz BYKJSEOGALOGBO-UHFFFAOYSA-N -1 0 321.323 3.570 20 0 DHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000390912140 597188159 /nfs/dbraw/zinc/18/81/59/597188159.db2.gz YSVLWZZZYLMKNL-MRXNPFEDSA-N -1 0 312.369 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600816883 /nfs/dbraw/zinc/81/68/83/600816883.db2.gz YAPNRFYVRDWCOF-UHFFFAOYSA-N -1 0 312.394 3.774 20 0 DHADRM O=C([O-])c1cccn2cc(CSCC3CCCCC3)nc12 ZINC000740241113 600818799 /nfs/dbraw/zinc/81/87/99/600818799.db2.gz OQUNZMVRUKZHRX-UHFFFAOYSA-N -1 0 304.415 3.846 20 0 DHADRM Cc1ccc(CC[C@@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)o1 ZINC000832930883 600822219 /nfs/dbraw/zinc/82/22/19/600822219.db2.gz QSVAAFPJHBKSPK-SSDOTTSWSA-N -1 0 314.794 3.829 20 0 DHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000737940013 600825453 /nfs/dbraw/zinc/82/54/53/600825453.db2.gz POCVOSZUXTWGSY-GJZGRUSLSA-N -1 0 318.369 3.515 20 0 DHADRM CC/C(=C\C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736833222 600826411 /nfs/dbraw/zinc/82/64/11/600826411.db2.gz AWQDJQPNFSKZPP-DHZHZOJOSA-N -1 0 316.382 3.582 20 0 DHADRM O=C([O-])c1ccccc1NCc1ncc(-c2cccs2)o1 ZINC000833334327 600826508 /nfs/dbraw/zinc/82/65/08/600826508.db2.gz BOZBVSCZQDPBTH-UHFFFAOYSA-N -1 0 300.339 3.713 20 0 DHADRM 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C/C(=C\C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(C)(C)C ZINC000767198182 600896178 /nfs/dbraw/zinc/89/61/78/600896178.db2.gz VBDHYKSQFZAGAI-VAWYXSNFSA-N -1 0 303.402 3.980 20 0 DHADRM CCCc1c(C(=O)N[C@@H](C)C[C@@H](C)CC)[nH]c(C)c1C(=O)[O-] ZINC000829557210 600898046 /nfs/dbraw/zinc/89/80/46/600898046.db2.gz YIJCPVGRVKJHIS-QWRGUYRKSA-N -1 0 308.422 3.528 20 0 DHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)s1 ZINC000035425059 600899155 /nfs/dbraw/zinc/89/91/55/600899155.db2.gz GQOWLUVINSOPLY-UHFFFAOYSA-N -1 0 321.785 3.770 20 0 DHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000314247660 600899775 /nfs/dbraw/zinc/89/97/75/600899775.db2.gz QIKBSFBHBJPJFH-UHFFFAOYSA-N -1 0 319.382 3.878 20 0 DHADRM CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000314255022 600899805 /nfs/dbraw/zinc/89/98/05/600899805.db2.gz RIKJLMDFKVIDRD-UHFFFAOYSA-N -1 0 319.382 3.733 20 0 DHADRM CC/C(=C/C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C)cc1 ZINC000236894142 600905600 /nfs/dbraw/zinc/90/56/00/600905600.db2.gz ABUDEEZVARRDHS-OWBHPGMISA-N -1 0 303.402 3.548 20 0 DHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000826616464 600926166 /nfs/dbraw/zinc/92/61/66/600926166.db2.gz ICKLVNPPGUXZTL-RYUDHWBXSA-N -1 0 323.820 3.582 20 0 DHADRM CC(C)[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000826677755 600938553 /nfs/dbraw/zinc/93/85/53/600938553.db2.gz ZANFRNIEAFCVTM-SFHVURJKSA-N -1 0 312.365 3.659 20 0 DHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000830149127 600938952 /nfs/dbraw/zinc/93/89/52/600938952.db2.gz DOZFJZKFDRPSAI-NEPJUHHUSA-N -1 0 322.430 3.523 20 0 DHADRM CCC(CC)(C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000828776580 600942640 /nfs/dbraw/zinc/94/26/40/600942640.db2.gz ONYCGRGALJYIAU-UHFFFAOYSA-N -1 0 316.353 3.779 20 0 DHADRM Cc1ccccc1OCCCNc1ccc(F)c(C(=O)[O-])c1 ZINC000738784053 600943449 /nfs/dbraw/zinc/94/34/49/600943449.db2.gz HGXGJSHZVYRHES-UHFFFAOYSA-N -1 0 303.333 3.713 20 0 DHADRM Cc1ccc(OC(=O)[C@H](C)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832953517 600946391 /nfs/dbraw/zinc/94/63/91/600946391.db2.gz VLLFKWOAGOSWNX-LLVKDONJSA-N -1 0 302.301 3.541 20 0 DHADRM Cc1ccccc1[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(C)C ZINC000180005892 600946668 /nfs/dbraw/zinc/94/66/68/600946668.db2.gz MNDVCHDNKRCPLI-HLLBOEOZSA-N -1 0 317.429 3.699 20 0 DHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180006498 600947705 /nfs/dbraw/zinc/94/77/05/600947705.db2.gz OKEVRMNGCKUGFX-YESZJQIVSA-N -1 0 317.429 3.733 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832922990 600948379 /nfs/dbraw/zinc/94/83/79/600948379.db2.gz DSQHVADXSFPRJN-QMTHXVAHSA-N -1 0 322.744 3.714 20 0 DHADRM CCSc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000830169042 600953207 /nfs/dbraw/zinc/95/32/07/600953207.db2.gz MKRRAUMVPNKQCK-NWDGAFQWSA-N -1 0 307.415 3.628 20 0 DHADRM CC(C)C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000826820761 600955843 /nfs/dbraw/zinc/95/58/43/600955843.db2.gz UDJWHCJYECEAAU-NSHDSACASA-N -1 0 305.157 3.650 20 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ZYYIHBZHOHKSTF-NSHDSACASA-N -1 0 312.797 3.517 20 0 DHADRM Cc1sc(NC(=O)c2cc(C(C)(C)C)on2)c(C(=O)[O-])c1C ZINC000738397399 600994391 /nfs/dbraw/zinc/99/43/91/600994391.db2.gz CSQCBGFMNOOCFX-UHFFFAOYSA-N -1 0 322.386 3.601 20 0 DHADRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000736224183 600996023 /nfs/dbraw/zinc/99/60/23/600996023.db2.gz OSYCDHCYAGWPAJ-VIFPVBQESA-N -1 0 322.719 3.886 20 0 DHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])ccc1C)SC ZINC000389935511 600996462 /nfs/dbraw/zinc/99/64/62/600996462.db2.gz WXFNRJNAQNVBTN-UHFFFAOYSA-N -1 0 324.446 3.737 20 0 DHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000832915989 600997098 /nfs/dbraw/zinc/99/70/98/600997098.db2.gz KWKZZPWEZRCOBW-DGCLKSJQSA-N -1 0 304.390 3.736 20 0 DHADRM C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736219429 601003445 /nfs/dbraw/zinc/00/34/45/601003445.db2.gz YJRZCMAJPWXKFK-SECBINFHSA-N -1 0 321.735 3.920 20 0 DHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830164511 601015416 /nfs/dbraw/zinc/01/54/16/601015416.db2.gz XSCBPPAPLXLXON-LLVKDONJSA-N -1 0 324.446 3.689 20 0 DHADRM CCCCCN(C(=O)Nc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000321212019 601017272 /nfs/dbraw/zinc/01/72/72/601017272.db2.gz XYKXDZPTMNVJSM-UHFFFAOYSA-N -1 0 322.405 3.583 20 0 DHADRM O=C([O-])Cc1ccccc1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000739891908 601022240 /nfs/dbraw/zinc/02/22/40/601022240.db2.gz MBOSGEKUYGATAX-OAHLLOKOSA-N -1 0 324.376 3.729 20 0 DHADRM C[C@H](C(=O)Oc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000736225592 601023265 /nfs/dbraw/zinc/02/32/65/601023265.db2.gz YSJCVUBIHXQZHL-NSHDSACASA-N -1 0 318.756 3.676 20 0 DHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1F ZINC000833157533 601027050 /nfs/dbraw/zinc/02/70/50/601027050.db2.gz RPEWNAOAUZFWLE-GRYCIOLGSA-N -1 0 320.364 3.614 20 0 DHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1F ZINC000833158889 601027123 /nfs/dbraw/zinc/02/71/23/601027123.db2.gz ZUWNKVPVJVWSTL-IUODEOHRSA-N -1 0 320.364 3.614 20 0 DHADRM CC[C@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)C(C)C ZINC000736891827 601028560 /nfs/dbraw/zinc/02/85/60/601028560.db2.gz FYVZJRIDGYHUCI-CYBMUJFWSA-N -1 0 309.381 3.706 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000830514634 601030361 /nfs/dbraw/zinc/03/03/61/601030361.db2.gz UOQJSIYGNGCHIB-UHFFFAOYSA-N -1 0 317.389 3.599 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000829044214 601030408 /nfs/dbraw/zinc/03/04/08/601030408.db2.gz NMAVHJPWCFRAHO-KRWDZBQOSA-N -1 0 319.405 3.845 20 0 DHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829246234 601032501 /nfs/dbraw/zinc/03/25/01/601032501.db2.gz ZJZCUYVNIBOECO-BBRMVZONSA-N -1 0 318.417 3.746 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829246236 601032686 /nfs/dbraw/zinc/03/26/86/601032686.db2.gz ZJZCUYVNIBOECO-CZUORRHYSA-N -1 0 318.417 3.746 20 0 DHADRM CCCCCC[C@@H](C)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736985196 601039308 /nfs/dbraw/zinc/03/93/08/601039308.db2.gz 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ZINC000827213958 601054146 /nfs/dbraw/zinc/05/41/46/601054146.db2.gz UUQUQENKKYAYFF-VIFPVBQESA-N -1 0 322.792 3.833 20 0 DHADRM Cc1ccc2c(CC(=O)Nc3ccc(C)c(C(=O)[O-])c3)c[nH]c2c1 ZINC000237879096 601062453 /nfs/dbraw/zinc/06/24/53/601062453.db2.gz NHGCSSBMZLBFJI-UHFFFAOYSA-N -1 0 322.364 3.664 20 0 DHADRM CCCCC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829267476 601062537 /nfs/dbraw/zinc/06/25/37/601062537.db2.gz UKPJEQXVOIHEOT-UHFFFAOYSA-N -1 0 319.382 3.742 20 0 DHADRM Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000110987489 601064457 /nfs/dbraw/zinc/06/44/57/601064457.db2.gz ATAOZHBQTWKKRQ-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC3(CCCC3)C2)c1 ZINC000318878633 601069828 /nfs/dbraw/zinc/06/98/28/601069828.db2.gz LVKSZLONLQGIHY-UHFFFAOYSA-N -1 0 322.792 3.836 20 0 DHADRM CCC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000828608905 601078336 /nfs/dbraw/zinc/07/83/36/601078336.db2.gz GUVNOVOXUMBCHQ-ZDUSSCGKSA-N -1 0 311.809 3.798 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390963255 601091244 /nfs/dbraw/zinc/09/12/44/601091244.db2.gz NOFIHWVOMXMRTC-OAHLLOKOSA-N -1 0 318.417 3.701 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390963254 601091344 /nfs/dbraw/zinc/09/13/44/601091344.db2.gz NOFIHWVOMXMRTC-HNNXBMFYSA-N -1 0 318.417 3.701 20 0 DHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321301516 601092727 /nfs/dbraw/zinc/09/27/27/601092727.db2.gz PPMFPIOTZMHYSV-HNNXBMFYSA-N -1 0 318.417 3.845 20 0 DHADRM C/C(=C\COc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000084001055 601096748 /nfs/dbraw/zinc/09/67/48/601096748.db2.gz ZTGWMGMFHGDRMV-QPJJXVBHSA-N -1 0 305.555 3.512 20 0 DHADRM C[C@@H]1CCCC[C@H]1CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000828244807 601121971 /nfs/dbraw/zinc/12/19/71/601121971.db2.gz DDLMCVVLTRIDOB-WQGACYEGSA-N -1 0 308.349 3.711 20 0 DHADRM O=C([O-])Nc1cc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)ccc1F ZINC000833283734 601128084 /nfs/dbraw/zinc/12/80/84/601128084.db2.gz VCQWGRSWUQQORA-QWRGUYRKSA-N -1 0 321.352 3.570 20 0 DHADRM Cc1cc(NC(=O)N(C2CC2)C2CCCC2)ccc1C(=O)[O-] ZINC000832894662 601133258 /nfs/dbraw/zinc/13/32/58/601133258.db2.gz LRQXYBCCKIYUAU-UHFFFAOYSA-N -1 0 302.374 3.632 20 0 DHADRM Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1C(=O)[O-] ZINC000832944426 601136892 /nfs/dbraw/zinc/13/68/92/601136892.db2.gz FIKOEUVTNCXTOP-NSHDSACASA-N -1 0 302.330 3.511 20 0 DHADRM Cc1ccc(NC(=O)NCc2coc3ccccc23)cc1C(=O)[O-] ZINC000832948648 601137170 /nfs/dbraw/zinc/13/71/70/601137170.db2.gz WEQPBHQIKSHEIT-UHFFFAOYSA-N -1 0 324.336 3.761 20 0 DHADRM Cc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000324862539 601138592 /nfs/dbraw/zinc/13/85/92/601138592.db2.gz AVMNLCZKHJEOOE-HNNXBMFYSA-N -1 0 324.380 3.715 20 0 DHADRM O=C([O-])CN(C(=O)c1cccc2ccccc21)c1cccc(F)c1 ZINC000833245593 601144570 /nfs/dbraw/zinc/14/45/70/601144570.db2.gz JGMLDRAGIPHBME-UHFFFAOYSA-N -1 0 323.323 3.710 20 0 DHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000315964256 601144986 /nfs/dbraw/zinc/14/49/86/601144986.db2.gz DNPKHFSZKFPQPC-UWVGGRQHSA-N -1 0 315.291 3.535 20 0 DHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000830164369 601145041 /nfs/dbraw/zinc/14/50/41/601145041.db2.gz UXFDTXHXPGGSCP-GFCCVEGCSA-N -1 0 324.446 3.689 20 0 DHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccc(Cl)cc2Cl)C1 ZINC000833188247 601145693 /nfs/dbraw/zinc/14/56/93/601145693.db2.gz WFNOBHYNLKBLST-DTWKUNHWSA-N -1 0 317.168 3.790 20 0 DHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C=C1CCC(C)CC1)c1ccccc1 ZINC000236659117 601163377 /nfs/dbraw/zinc/16/33/77/601163377.db2.gz XAPGJNSGABAAPA-VVPPIPSKSA-N -1 0 315.413 3.701 20 0 DHADRM CC[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829134166 601173236 /nfs/dbraw/zinc/17/32/36/601173236.db2.gz PEZAXBASRQYHSB-BZUAXINKSA-N -1 0 315.413 3.635 20 0 DHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(C)n1C(C)C ZINC000531743093 601185809 /nfs/dbraw/zinc/18/58/09/601185809.db2.gz GJYMOYJKLUJIPN-UHFFFAOYSA-N -1 0 320.433 3.593 20 0 DHADRM 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311.428 3.726 20 0 DHADRM Cn1cc(NC(=O)CCCCCc2cccs2)cc1C(=O)[O-] ZINC000833044689 601311280 /nfs/dbraw/zinc/31/12/80/601311280.db2.gz BHFZAYGRUHWGND-UHFFFAOYSA-N -1 0 320.414 3.526 20 0 DHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(C)cc1 ZINC000828770156 601317935 /nfs/dbraw/zinc/31/79/35/601317935.db2.gz DSLKPYGBXWYFJM-CYBMUJFWSA-N -1 0 314.385 3.554 20 0 DHADRM O=C([O-])c1ccc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)[nH]1 ZINC000833312140 601331916 /nfs/dbraw/zinc/33/19/16/601331916.db2.gz KIWIRBDDHBOMJU-CLTKARDFSA-N -1 0 323.686 3.604 20 0 DHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828148625 601333097 /nfs/dbraw/zinc/33/30/97/601333097.db2.gz BONVWJVOBWAWLR-CXAGYDPISA-N -1 0 324.380 3.795 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828200840 601333428 /nfs/dbraw/zinc/33/34/28/601333428.db2.gz JKIUGQXSNWCGGW-ZETOZRRWSA-N -1 0 320.364 3.709 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828201092 601334340 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C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])CC(C)(C)C ZINC000390538402 601484153 /nfs/dbraw/zinc/48/41/53/601484153.db2.gz GRYAQMGCNBGYJH-SUMWQHHRSA-N -1 0 317.429 3.659 20 0 DHADRM CCCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000320996971 601484452 /nfs/dbraw/zinc/48/44/52/601484452.db2.gz JYBIFWMFVLRVAB-UHFFFAOYSA-N -1 0 318.417 3.748 20 0 DHADRM CCCc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000320414174 601484464 /nfs/dbraw/zinc/48/44/64/601484464.db2.gz RBYBVBAVHKMIRC-UHFFFAOYSA-N -1 0 318.417 3.748 20 0 DHADRM Cc1ccc(/C=C\CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000832929697 601499043 /nfs/dbraw/zinc/49/90/43/601499043.db2.gz OYKBIDPUUXWMHP-IHWYPQMZSA-N -1 0 313.328 3.874 20 0 DHADRM Cc1ccc(/C=C\CC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000832930472 601499062 /nfs/dbraw/zinc/49/90/62/601499062.db2.gz XMODFOXJRGAKSX-IHWYPQMZSA-N -1 0 309.365 3.664 20 0 DHADRM C[C@@H]1CC/C(=C/C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000828200939 601503749 /nfs/dbraw/zinc/50/37/49/601503749.db2.gz 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ZINC000316136449 601627596 /nfs/dbraw/zinc/62/75/96/601627596.db2.gz MCSKADDNJVLJDU-UHFFFAOYSA-N -1 0 318.394 3.855 20 0 DHADRM Cc1ccccc1-c1cnc(COc2ccc(CC(=O)[O-])cc2)o1 ZINC000832974178 601629002 /nfs/dbraw/zinc/62/90/02/601629002.db2.gz FXBXPHGITCGXTL-UHFFFAOYSA-N -1 0 323.348 3.856 20 0 DHADRM CCCOc1ccccc1OCc1ccc(C(=O)[O-])c(F)c1 ZINC000389150833 601629523 /nfs/dbraw/zinc/62/95/23/601629523.db2.gz UZVHFNBZKGPKED-UHFFFAOYSA-N -1 0 304.317 3.892 20 0 DHADRM Cc1ccc(-c2cnn(Cc3ccc(C(=O)[O-])c(F)c3)c2)cc1 ZINC000832907404 601634267 /nfs/dbraw/zinc/63/42/67/601634267.db2.gz VRNKMJZCXULMNW-UHFFFAOYSA-N -1 0 310.328 3.744 20 0 DHADRM O=C([O-])c1ccc(COc2cccc3c2CCCC3=O)cc1F ZINC000833315276 601640216 /nfs/dbraw/zinc/64/02/16/601640216.db2.gz QHEJUSPEHIWMHN-UHFFFAOYSA-N -1 0 314.312 3.622 20 0 DHADRM CCCCC[C@@H](NC(=O)Cc1csc2ccccc12)C(=O)[O-] ZINC000776664581 601645897 /nfs/dbraw/zinc/64/58/97/601645897.db2.gz VMWLPGLMMVCYRK-CQSZACIVSA-N -1 0 319.426 3.594 20 0 DHADRM CCCCC[C@@H](NC(=O)c1cc2sccc2s1)C(=O)[O-] ZINC000829327197 601646773 /nfs/dbraw/zinc/64/67/73/601646773.db2.gz XENIPPQVDWDNOC-SECBINFHSA-N -1 0 311.428 3.726 20 0 DHADRM Cc1c(NC(=O)c2cc(F)cc(Cl)c2)cccc1C(=O)[O-] ZINC000832856745 601663907 /nfs/dbraw/zinc/66/39/07/601663907.db2.gz SPALKYGIPXVGQR-UHFFFAOYSA-N -1 0 307.708 3.738 20 0 DHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000830508769 601671288 /nfs/dbraw/zinc/67/12/88/601671288.db2.gz YQFLIHMNEGQEGL-PBHICJAKSA-N -1 0 324.380 3.618 20 0 DHADRM Cc1sc(C(=O)[O-])cc1CSc1ccc2c(c1)OCCO2 ZINC000122697729 601671294 /nfs/dbraw/zinc/67/12/94/601671294.db2.gz QPMMHBWCXIMJAS-UHFFFAOYSA-N -1 0 322.407 3.818 20 0 DHADRM CC[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000236974742 601677633 /nfs/dbraw/zinc/67/76/33/601677633.db2.gz NZHKIZRNFAKTLC-OAHLLOKOSA-N -1 0 317.772 3.600 20 0 DHADRM CC(C)(CNc1ccc(C(=O)[O-])nn1)Cc1cccc(Cl)c1 ZINC000826611622 601679947 /nfs/dbraw/zinc/67/99/47/601679947.db2.gz KNFBBCASWRRYBJ-UHFFFAOYSA-N 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318.417 3.502 20 0 DHADRM CC(C)CCN(C(=O)C1CCC(NC(=O)[O-])CC1)C1CCCC1 ZINC000738820198 601927572 /nfs/dbraw/zinc/92/75/72/601927572.db2.gz YXHHHGQVYYECDS-UHFFFAOYSA-N -1 0 324.465 3.630 20 0 DHADRM O=C([O-])c1cnc(Oc2ccc(OCc3ccccc3)cc2)cn1 ZINC000303081228 601928571 /nfs/dbraw/zinc/92/85/71/601928571.db2.gz NAFODYLVXLAXKB-UHFFFAOYSA-N -1 0 322.320 3.546 20 0 DHADRM CCC(CC)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828861616 601951376 /nfs/dbraw/zinc/95/13/76/601951376.db2.gz BYQTZWAXMAWJGG-UHFFFAOYSA-N -1 0 318.295 3.714 20 0 DHADRM O=C([O-])Nc1ccc(OCc2ccn(C3CCCC3)n2)cc1 ZINC000833291498 601956607 /nfs/dbraw/zinc/95/66/07/601956607.db2.gz ZWYRXPAEXGEJEY-UHFFFAOYSA-N -1 0 301.346 3.667 20 0 DHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000739531270 601962477 /nfs/dbraw/zinc/96/24/77/601962477.db2.gz RRQLBZMRXHTBCK-LBPRGKRZSA-N -1 0 324.446 3.870 20 0 DHADRM CCCCC[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000236667323 601970583 /nfs/dbraw/zinc/97/05/83/601970583.db2.gz 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CCn1c(C)cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1C ZINC000739561285 602027128 /nfs/dbraw/zinc/02/71/28/602027128.db2.gz IYMGYXSUGWBHLH-UHFFFAOYSA-N -1 0 319.336 3.606 20 0 DHADRM CN(Cc1ccco1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859865 602031482 /nfs/dbraw/zinc/03/14/82/602031482.db2.gz MYNMNOYUXDYVQQ-CYBMUJFWSA-N -1 0 314.168 3.844 20 0 DHADRM CCC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000829255875 602031772 /nfs/dbraw/zinc/03/17/72/602031772.db2.gz LDAKEHVIJSSMDN-NSHDSACASA-N -1 0 308.353 3.568 20 0 DHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000829255518 602035954 /nfs/dbraw/zinc/03/59/54/602035954.db2.gz IUXGGRNPUQTNLE-CYBMUJFWSA-N -1 0 319.405 3.845 20 0 DHADRM O=C([O-])CCN(C/C(Cl)=C\Cl)Cc1ccc(F)c(F)c1 ZINC000833232105 602042560 /nfs/dbraw/zinc/04/25/60/602042560.db2.gz NQHZZFSULWNHGY-UXBLZVDNSA-N -1 0 324.154 3.561 20 0 DHADRM Cc1sc(NC(=O)C[C@H](C)c2ccncc2)c(C(=O)[O-])c1C ZINC000833033524 602063099 /nfs/dbraw/zinc/06/30/99/602063099.db2.gz 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313.288 3.649 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000740711800 602503035 /nfs/dbraw/zinc/50/30/35/602503035.db2.gz DYMFRTBERIHRBY-UHFFFAOYSA-N -1 0 323.308 3.684 20 0 DHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1 ZINC000740709478 602503894 /nfs/dbraw/zinc/50/38/94/602503894.db2.gz GXLHTFZCICBSBM-UHFFFAOYSA-N -1 0 310.309 3.704 20 0 DHADRM CC[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1c(C)noc1C ZINC000739214876 602504214 /nfs/dbraw/zinc/50/42/14/602504214.db2.gz RQXRTSLTHDUVCA-CYBMUJFWSA-N -1 0 317.345 3.514 20 0 DHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738405873 602505181 /nfs/dbraw/zinc/50/51/81/602505181.db2.gz BOZSGKJHCFUTMV-UHFFFAOYSA-N -1 0 309.325 3.521 20 0 DHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739098350 602600120 /nfs/dbraw/zinc/60/01/20/602600120.db2.gz KBZPLMAJUGOJOC-RISCZKNCSA-N -1 0 305.378 3.819 20 0 DHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739712325 602600777 /nfs/dbraw/zinc/60/07/77/602600777.db2.gz 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C[C@@H](C(=O)Nc1ccccc1NC(=O)[O-])c1ccccc1F ZINC000738639639 602685444 /nfs/dbraw/zinc/68/54/44/602685444.db2.gz RGRMYQXCPUIWGU-SNVBAGLBSA-N -1 0 302.305 3.658 20 0 DHADRM O=C([O-])NCc1cccc(OC(=O)c2ccc(C(F)F)cc2)c1 ZINC000740675963 602730763 /nfs/dbraw/zinc/73/07/63/602730763.db2.gz GNHYURCJUVTJNC-UHFFFAOYSA-N -1 0 321.279 3.611 20 0 DHADRM CC(C)(CCC(=O)Oc1cccc2ccccc21)NC(=O)[O-] ZINC000738747069 602782318 /nfs/dbraw/zinc/78/23/18/602782318.db2.gz LXVOEXLAEYCYCJ-UHFFFAOYSA-N -1 0 301.342 3.572 20 0 DHADRM CCc1cccc(CC)c1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739541577 602783815 /nfs/dbraw/zinc/78/38/15/602783815.db2.gz LVWFVRPLTMPVRM-UHFFFAOYSA-N -1 0 306.406 3.576 20 0 DHADRM Cc1ccc(N(C(=O)CCC(C)(C)NC(=O)[O-])C(C)C)cc1 ZINC000740129239 602800288 /nfs/dbraw/zinc/80/02/88/602800288.db2.gz HNEWUHKJCCCMCK-UHFFFAOYSA-N -1 0 306.406 3.563 20 0 DHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738798491 602806410 /nfs/dbraw/zinc/80/64/10/602806410.db2.gz CQFRGNGPRVRANN-INIZCTEOSA-N -1 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/nfs/dbraw/zinc/95/28/23/602952823.db2.gz WLQUOYYGJRTVMR-RYUDHWBXSA-N -1 0 304.390 3.639 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)CCc2cc(F)ccc2F)cc1 ZINC000738668705 602958195 /nfs/dbraw/zinc/95/81/95/602958195.db2.gz FSIUOCMOVMRAEB-UHFFFAOYSA-N -1 0 321.279 3.593 20 0 DHADRM O=C([O-])Nc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000738670926 602965823 /nfs/dbraw/zinc/96/58/23/602965823.db2.gz XBBAYRAHSPQUIE-UHFFFAOYSA-N -1 0 324.336 3.796 20 0 DHADRM CC(C)Cc1nc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cs1 ZINC000737635395 602965829 /nfs/dbraw/zinc/96/58/29/602965829.db2.gz UBOVYFPROSIZQC-UHFFFAOYSA-N -1 0 320.370 3.651 20 0 DHADRM CSc1ccsc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738144339 602968101 /nfs/dbraw/zinc/96/81/01/602968101.db2.gz AXVKKDHKVGIPIR-UHFFFAOYSA-N -1 0 309.368 3.779 20 0 DHADRM Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1NC(=O)[O-] ZINC000830192569 602975404 /nfs/dbraw/zinc/97/54/04/602975404.db2.gz NUQYYIOAPDMNSZ-UHFFFAOYSA-N -1 0 316.401 3.881 20 0 DHADRM Cc1ccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830206348 602979540 /nfs/dbraw/zinc/97/95/40/602979540.db2.gz ZUMXVVJKYWKVEJ-GHMZBOCLSA-N -1 0 304.390 3.639 20 0 DHADRM CC(C)(CC(=O)Nc1cccc(-c2cccs2)c1)NC(=O)[O-] ZINC000738735449 602980241 /nfs/dbraw/zinc/98/02/41/602980241.db2.gz QAMZWEDLVNXFPH-UHFFFAOYSA-N -1 0 318.398 3.790 20 0 DHADRM C[C@H](CN(C)C(=O)[O-])c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000738904990 603024033 /nfs/dbraw/zinc/02/40/33/603024033.db2.gz DGVQJQGJJRTRGR-VHODGJRUSA-N -1 0 321.764 3.607 20 0 DHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)[C@H](C)C1 ZINC000739084920 603033826 /nfs/dbraw/zinc/03/38/26/603033826.db2.gz LYTNXCXESZJHRB-BREBYQMCSA-N -1 0 323.368 3.862 20 0 DHADRM CC(C)CN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1CC1 ZINC000738820400 603035090 /nfs/dbraw/zinc/03/50/90/603035090.db2.gz LPCSOHYUVMIUGG-UHFFFAOYSA-N -1 0 309.341 3.568 20 0 DHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739095344 603037295 /nfs/dbraw/zinc/03/72/95/603037295.db2.gz BBJBNMBIGTXGTC-BXKDBHETSA-N -1 0 309.341 3.616 20 0 DHADRM Cc1cccc([C@@H](C)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000830472632 603043469 /nfs/dbraw/zinc/04/34/69/603043469.db2.gz RIWOSKDNHHWXTP-CYBMUJFWSA-N -1 0 313.353 3.818 20 0 DHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cn(C)c3ccccc23)cc1 ZINC000827920892 603050227 /nfs/dbraw/zinc/05/02/27/603050227.db2.gz DPFRMIPIIFJVFD-UHFFFAOYSA-N -1 0 324.336 3.512 20 0 DHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000826768151 603067151 /nfs/dbraw/zinc/06/71/51/603067151.db2.gz CKHPNUULJOJSPA-IUODEOHRSA-N -1 0 304.390 3.817 20 0 DHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826768612 603069191 /nfs/dbraw/zinc/06/91/91/603069191.db2.gz IMEZKKCFYQOPBI-DOMZBBRYSA-N -1 0 304.390 3.817 20 0 DHADRM C[C@@H]1C[C@@H](CC(=O)NC2CCC(NC(=O)[O-])CC2)CC(C)(C)C1 ZINC000739080512 603070319 /nfs/dbraw/zinc/07/03/19/603070319.db2.gz DUIYTODIZINZET-DNDYEEKYSA-N -1 0 324.465 3.534 20 0 DHADRM Cc1ccc(OCCNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000740146006 603102822 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ZINC000739445972 603142142 /nfs/dbraw/zinc/14/21/42/603142142.db2.gz GYHGUGPEUZBPSA-CYBMUJFWSA-N -1 0 321.421 3.600 20 0 DHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000740561506 603149314 /nfs/dbraw/zinc/14/93/14/603149314.db2.gz CVYOYVUPLMKOHZ-UONOGXRCSA-N -1 0 312.369 3.605 20 0 DHADRM CC(C)c1ccccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738878012 603149439 /nfs/dbraw/zinc/14/94/39/603149439.db2.gz UEJBZMPCYIHANH-QWHCGFSZSA-N -1 0 304.390 3.575 20 0 DHADRM CN(C(=O)[O-])c1ccc(OCc2ccccc2OC(F)F)cc1 ZINC000827921571 603158480 /nfs/dbraw/zinc/15/84/80/603158480.db2.gz OSEYPCDFIQUOGX-UHFFFAOYSA-N -1 0 323.295 3.981 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2ccc3[nH]cnc3c2)cc1 ZINC000825448295 603178746 /nfs/dbraw/zinc/17/87/46/603178746.db2.gz CECPHPUQNMYBBU-NSHDSACASA-N -1 0 310.357 3.504 20 0 DHADRM O=C([O-])N1CC[C@@H](CSC2=Nc3ccccc3CS2)C1 ZINC000740496321 603181694 /nfs/dbraw/zinc/18/16/94/603181694.db2.gz KGUWMJWGGPLYPT-SNVBAGLBSA-N -1 0 308.428 3.654 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCc2cccs2)cc1 ZINC000825423098 603184370 /nfs/dbraw/zinc/18/43/70/603184370.db2.gz NIXJVZKEEXVEEN-NSHDSACASA-N -1 0 318.398 3.648 20 0 DHADRM Cc1oc(C)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000830942326 603187736 /nfs/dbraw/zinc/18/77/36/603187736.db2.gz IWSZCBNNHHWTOO-SNVBAGLBSA-N -1 0 316.357 3.786 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2ccsc2)cc1 ZINC000825418746 603189482 /nfs/dbraw/zinc/18/94/82/603189482.db2.gz WYXLCQDCVRMFEJ-IGVIJBNESA-N -1 0 316.382 3.729 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000825449449 603189488 /nfs/dbraw/zinc/18/94/88/603189488.db2.gz QNUPQRJPYWGOBT-JTQLQIEISA-N -1 0 318.760 3.921 20 0 DHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739093573 603196297 /nfs/dbraw/zinc/19/62/97/603196297.db2.gz RADGXOWZKSQTSS-GXTWGEPZSA-N -1 0 316.401 3.882 20 0 DHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000740700196 603200570 /nfs/dbraw/zinc/20/05/70/603200570.db2.gz BEOMIXPIXAMSGL-UHFFFAOYSA-N -1 0 308.696 3.821 20 0 DHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000740471079 603201206 /nfs/dbraw/zinc/20/12/06/603201206.db2.gz VYFPZOAPERKXQF-LLVKDONJSA-N -1 0 324.336 3.524 20 0 DHADRM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000826034519 603201909 /nfs/dbraw/zinc/20/19/09/603201909.db2.gz JUEFFDWVFSPEAE-WBMJQRKESA-N -1 0 310.353 3.610 20 0 DHADRM Cc1ccc2oc(NC[C@H](NC(=O)[O-])c3ccccc3)nc2c1 ZINC000830460362 603203546 /nfs/dbraw/zinc/20/35/46/603203546.db2.gz RMJRBFAWNSFTAJ-AWEZNQCLSA-N -1 0 311.341 3.557 20 0 DHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736761965 603208213 /nfs/dbraw/zinc/20/82/13/603208213.db2.gz IYTDETWPPKPBFY-UXIGCNINSA-N -1 0 302.374 3.570 20 0 DHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736761966 603208227 /nfs/dbraw/zinc/20/82/27/603208227.db2.gz IYTDETWPPKPBFY-ZLDLUXBVSA-N -1 0 302.374 3.570 20 0 DHADRM Cc1cccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830511013 603212584 /nfs/dbraw/zinc/21/25/84/603212584.db2.gz CMLFCQHSNBGEHC-CZUORRHYSA-N -1 0 312.369 3.579 20 0 DHADRM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739060100 603215468 /nfs/dbraw/zinc/21/54/68/603215468.db2.gz MQPOCFNGDUONGN-VIFPVBQESA-N -1 0 322.748 3.856 20 0 DHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739103231 603231752 /nfs/dbraw/zinc/23/17/52/603231752.db2.gz UTQYDOSZNFGZQR-GHMZBOCLSA-N -1 0 324.808 3.986 20 0 DHADRM O=C([O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000832729136 603242556 /nfs/dbraw/zinc/24/25/56/603242556.db2.gz BRZNGLYUEVVYEO-UHFFFAOYSA-N -1 0 302.277 3.597 20 0 DHADRM Cc1cccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830523010 603244427 /nfs/dbraw/zinc/24/44/27/603244427.db2.gz WKLYMJBCNMGEHP-LBPRGKRZSA-N -1 0 313.357 3.968 20 0 DHADRM C[C@H](CC(=O)Nc1ccc2oc3ccccc3c2c1)NC(=O)[O-] ZINC000824695145 603255141 /nfs/dbraw/zinc/25/51/41/603255141.db2.gz JFXQWFJSHMSLCT-SNVBAGLBSA-N -1 0 312.325 3.571 20 0 DHADRM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1NC(=O)[O-] ZINC000830181969 603282841 /nfs/dbraw/zinc/28/28/41/603282841.db2.gz LBTKYRQBXMMMAZ-KRWDZBQOSA-N -1 0 324.380 3.844 20 0 DHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1ccccc1)C1CC1 ZINC000740075606 603296992 /nfs/dbraw/zinc/29/69/92/603296992.db2.gz IJJIPYMLBVWNJL-UHFFFAOYSA-N -1 0 324.380 3.572 20 0 DHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000826645759 603310863 /nfs/dbraw/zinc/31/08/63/603310863.db2.gz TVJXJGGZUFJIIR-INIZCTEOSA-N -1 0 305.378 3.821 20 0 DHADRM CC1CCC(C)(NC(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000739089348 603321388 /nfs/dbraw/zinc/32/13/88/603321388.db2.gz JWZGZEZLOYBQAR-UHFFFAOYSA-N -1 0 319.405 3.545 20 0 DHADRM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826666672 603322933 /nfs/dbraw/zinc/32/29/33/603322933.db2.gz GCDANGYXZPTNMZ-GXTWGEPZSA-N -1 0 304.390 3.784 20 0 DHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000825888020 603325650 /nfs/dbraw/zinc/32/56/50/603325650.db2.gz NINOGNOLPQBBSI-GHMZBOCLSA-N -1 0 323.368 3.958 20 0 DHADRM CCCCC[C@@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739327551 603337130 /nfs/dbraw/zinc/33/71/30/603337130.db2.gz AGXVGCRDNFFNBW-CYBMUJFWSA-N -1 0 321.421 3.887 20 0 DHADRM CC[C@H](NC(=O)Nc1ccccc1CN(CC)C(=O)[O-])C(C)C ZINC000739271275 603350656 /nfs/dbraw/zinc/35/06/56/603350656.db2.gz XKMNHXZYTLBMKD-AWEZNQCLSA-N -1 0 321.421 3.743 20 0 DHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/C1CC1 ZINC000832839204 603355081 /nfs/dbraw/zinc/35/50/81/603355081.db2.gz SUXOEUOGXCPEJU-ZZXKWVIFSA-N -1 0 314.263 3.700 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)C2CCCCC2)cc1 ZINC000825423532 603367347 /nfs/dbraw/zinc/36/73/47/603367347.db2.gz QSLHJHZUPDUAKM-GFCCVEGCSA-N -1 0 319.405 3.812 20 0 DHADRM CCOc1cccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827453543 603370910 /nfs/dbraw/zinc/37/09/10/603370910.db2.gz WQUSWWUOJFBFFK-UHFFFAOYSA-N -1 0 314.341 3.736 20 0 DHADRM Cc1ccc(N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000830333240 603373531 /nfs/dbraw/zinc/37/35/31/603373531.db2.gz QZVQRFOUYNYFOJ-UHFFFAOYSA-N -1 0 312.369 3.978 20 0 DHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825426729 603375708 /nfs/dbraw/zinc/37/57/08/603375708.db2.gz IVPUSCOJBFEBLN-IUODEOHRSA-N -1 0 319.405 3.668 20 0 DHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825426731 603376019 /nfs/dbraw/zinc/37/60/19/603376019.db2.gz IVPUSCOJBFEBLN-WFASDCNBSA-N -1 0 319.405 3.668 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCCC[C@H]2C)cc1 ZINC000825426429 603378168 /nfs/dbraw/zinc/37/81/68/603378168.db2.gz DRJSOXNEGRHOJH-OLZOCXBDSA-N -1 0 319.405 3.812 20 0 DHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825422126 603382229 /nfs/dbraw/zinc/38/22/29/603382229.db2.gz GAMJLIZHOSRZJY-NWDGAFQWSA-N -1 0 307.394 3.523 20 0 DHADRM CCN(Cc1nc(-c2c(Cl)cccc2Cl)no1)C(=O)[O-] ZINC000739445297 603394402 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Cc1ccc(C(=O)OCCSC(C)(C)C)cc1NC(=O)[O-] ZINC000830245663 603447102 /nfs/dbraw/zinc/44/71/02/603447102.db2.gz PZCGPSOLIGVGLV-UHFFFAOYSA-N -1 0 311.403 3.773 20 0 DHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CC23CCCC3)cc1 ZINC000825418017 603460565 /nfs/dbraw/zinc/46/05/65/603460565.db2.gz RPZRRYIJSGHOJY-BXUZGUMPSA-N -1 0 302.374 3.534 20 0 DHADRM C[C@@H](C(=O)Oc1cccc(NC(=O)[O-])c1)c1ccccc1F ZINC000737567096 603478673 /nfs/dbraw/zinc/47/86/73/603478673.db2.gz CSWWFWCAHOPJID-SNVBAGLBSA-N -1 0 303.289 3.625 20 0 DHADRM CS[C@H](C(=O)Oc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000738141953 603481081 /nfs/dbraw/zinc/48/10/81/603481081.db2.gz LTJQIQQPJXGEBF-AWEZNQCLSA-N -1 0 317.366 3.786 20 0 DHADRM Cc1cccc2c(CC(=O)Oc3cccc(NC(=O)[O-])c3)c[nH]c21 ZINC000738310666 603481452 /nfs/dbraw/zinc/48/14/52/603481452.db2.gz JZFFGKQTFOFTNK-UHFFFAOYSA-N -1 0 324.336 3.714 20 0 DHADRM CC(C)CCc1ccccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824244930 603529955 /nfs/dbraw/zinc/52/99/55/603529955.db2.gz 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ZINC000823618377 604050104 /nfs/dbraw/zinc/05/01/04/604050104.db2.gz WGYNVKKUMLCFSO-UHFFFAOYSA-N -1 0 314.341 3.622 20 0 DHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000826645844 604089070 /nfs/dbraw/zinc/08/90/70/604089070.db2.gz VFMZTTGAKPFLOJ-HNNXBMFYSA-N -1 0 309.341 3.570 20 0 DHADRM CCCc1nc(CNc2cccc3c2CCN3C(=O)[O-])cs1 ZINC000826954630 604131128 /nfs/dbraw/zinc/13/11/28/604131128.db2.gz SQWSNZYAVYVBQG-UHFFFAOYSA-N -1 0 317.414 3.748 20 0 DHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824181630 604196070 /nfs/dbraw/zinc/19/60/70/604196070.db2.gz CXZPZKSRWTYBSQ-LBPRGKRZSA-N -1 0 308.378 3.556 20 0 DHADRM C[C@H](NC(=O)[O-])c1ccc(NCCOc2ccccc2)cc1 ZINC000825449122 604218400 /nfs/dbraw/zinc/21/84/00/604218400.db2.gz KPKPPLRDILOEHT-ZDUSSCGKSA-N -1 0 300.358 3.506 20 0 DHADRM CCOCCC1(CNc2nc(Cl)c(C(=O)[O-])s2)CCC1 ZINC000829994847 604276285 /nfs/dbraw/zinc/27/62/85/604276285.db2.gz XAVWBTFZFZZMEL-UHFFFAOYSA-N -1 0 318.826 3.504 20 0 DHADRM C/C=C(/C=C\C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)CC ZINC000828541688 604280929 /nfs/dbraw/zinc/28/09/29/604280929.db2.gz GJQZIJYRZOHPSI-QAWIYVKRSA-N -1 0 302.374 3.647 20 0 DHADRM Cc1cc(Cl)ccc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000799243522 604282367 /nfs/dbraw/zinc/28/23/67/604282367.db2.gz FUCBYTSQFJWHAS-HNNXBMFYSA-N -1 0 317.772 3.546 20 0 DHADRM C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825872473 604302139 /nfs/dbraw/zinc/30/21/39/604302139.db2.gz OQCPUNVMMQJVBV-OLZOCXBDSA-N -1 0 304.390 3.561 20 0 DHADRM CCc1cc(C)c(C(=O)N(CC)c2ccccc2C(=O)[O-])o1 ZINC000830213940 604317262 /nfs/dbraw/zinc/31/72/62/604317262.db2.gz OTELIPPMLDCHNC-UHFFFAOYSA-N -1 0 301.342 3.515 20 0 DHADRM O=C([O-])c1cc(NCc2cnc(Cl)s2)ccc1Cl ZINC000833299658 604355859 /nfs/dbraw/zinc/35/58/59/604355859.db2.gz FECFTOZDUDDYQQ-UHFFFAOYSA-N -1 0 303.170 3.760 20 0 DHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828232132 604376868 /nfs/dbraw/zinc/37/68/68/604376868.db2.gz 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ZINC000826632743 604456212 /nfs/dbraw/zinc/45/62/12/604456212.db2.gz SGTKNRNMCYLYAT-HNNXBMFYSA-N -1 0 320.389 3.843 20 0 DHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827935020 604487647 /nfs/dbraw/zinc/48/76/47/604487647.db2.gz LYSWBKFTPMIXJL-SECBINFHSA-N -1 0 322.361 3.810 20 0 DHADRM CC(=O)CCCCCCC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833388124 604488857 /nfs/dbraw/zinc/48/88/57/604488857.db2.gz IRZBEKBBELKTGC-UHFFFAOYSA-N -1 0 306.362 3.645 20 0 DHADRM C[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccccc1F ZINC000833407118 604497186 /nfs/dbraw/zinc/49/71/86/604497186.db2.gz RHPWHUGECWIGTJ-PNESKVBLSA-N -1 0 308.349 3.506 20 0 DHADRM C/C(=C\C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC000833386002 604497392 /nfs/dbraw/zinc/49/73/92/604497392.db2.gz ZNWMENPCDSAXDS-ACCUITESSA-N -1 0 302.370 3.667 20 0 DHADRM CC(C)(Cc1ccccc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833462109 604497810 /nfs/dbraw/zinc/49/78/10/604497810.db2.gz XRYZERAXIRCKLY-UHFFFAOYSA-N -1 0 318.413 3.832 20 0 DHADRM CC(C)c1ccc(N(C)C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000824469981 604502283 /nfs/dbraw/zinc/50/22/83/604502283.db2.gz JNNWHMYMALXXAP-UHFFFAOYSA-N -1 0 318.417 3.599 20 0 DHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828534499 604504313 /nfs/dbraw/zinc/50/43/13/604504313.db2.gz LWSWACTUVYADKH-QMMMGPOBSA-N -1 0 322.411 3.659 20 0 DHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000833342716 604525645 /nfs/dbraw/zinc/52/56/45/604525645.db2.gz OZSHMULERLBVFF-NSHDSACASA-N -1 0 322.411 3.877 20 0 DHADRM CC(C)[N@H+](Cc1ccco1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833538799 604530771 /nfs/dbraw/zinc/53/07/71/604530771.db2.gz VSFZMCWSNKBGFO-AWEZNQCLSA-N -1 0 317.385 3.542 20 0 DHADRM CC(C)(C)Oc1cccc(COc2ccc(NC(=O)[O-])cc2)n1 ZINC000833446834 604532122 /nfs/dbraw/zinc/53/21/22/604532122.db2.gz HRIMJMUGQFNQJW-UHFFFAOYSA-N -1 0 316.357 3.928 20 0 DHADRM CC(C)(C)Oc1cccc(CNc2cc(C(=O)[O-])ccc2F)n1 ZINC000833446580 604536649 /nfs/dbraw/zinc/53/66/49/604536649.db2.gz 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604570602 /nfs/dbraw/zinc/57/06/02/604570602.db2.gz HXWJZTDDFFSCJS-NSHDSACASA-N -1 0 324.446 3.705 20 0 DHADRM Cc1cc([C@H](C)OC(=O)Cc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000832925811 604581898 /nfs/dbraw/zinc/58/18/98/604581898.db2.gz DHGMNOCMKVQBIS-ZDUSSCGKSA-N -1 0 316.353 3.750 20 0 DHADRM CSc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)o1 ZINC000832774164 604585638 /nfs/dbraw/zinc/58/56/38/604585638.db2.gz CENPGGNAAZJOES-QMMMGPOBSA-N -1 0 310.327 3.519 20 0 DHADRM CC1(C)CC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000833558891 604586179 /nfs/dbraw/zinc/58/61/79/604586179.db2.gz PWZLQSAPJWQTBZ-JTQLQIEISA-N -1 0 309.341 3.616 20 0 DHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000833604965 604586335 /nfs/dbraw/zinc/58/63/35/604586335.db2.gz VHYAENARXXQPRQ-UWVGGRQHSA-N -1 0 309.341 3.568 20 0 DHADRM Cc1ccc([C@@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)o1 ZINC000832923353 604594277 /nfs/dbraw/zinc/59/42/77/604594277.db2.gz HQIABESRJCBQDJ-GHMZBOCLSA-N -1 0 306.314 3.596 20 0 DHADRM 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322.361 3.533 20 0 DHADRM Cc1cc(F)cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832888513 604666885 /nfs/dbraw/zinc/66/68/85/604666885.db2.gz WLLYYKRVTQOOMY-UHFFFAOYSA-N -1 0 303.293 3.868 20 0 DHADRM CCN(CC)C(=S)S[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000829658304 604681148 /nfs/dbraw/zinc/68/11/48/604681148.db2.gz BZJSSZSRMCAOID-VIFPVBQESA-N -1 0 301.433 3.707 20 0 DHADRM Cc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)oc1C ZINC000832866390 604703130 /nfs/dbraw/zinc/70/31/30/604703130.db2.gz AUBMTRDNVKXNQA-UHFFFAOYSA-N -1 0 322.386 3.601 20 0 DHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829208928 604715367 /nfs/dbraw/zinc/71/53/67/604715367.db2.gz QAAWBQLLGYJWGK-DOMZBBRYSA-N -1 0 304.390 3.817 20 0 DHADRM CC1(CNc2nc(Cl)c(C(=O)[O-])s2)Cc2ccccc2C1 ZINC000833567394 604717925 /nfs/dbraw/zinc/71/79/25/604717925.db2.gz SVHKHBCMPWENDO-UHFFFAOYSA-N -1 0 322.817 3.712 20 0 DHADRM C/C(=C/c1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000833385054 604724081 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605146747 /nfs/dbraw/zinc/14/67/47/605146747.db2.gz PXUAOBPOVPVAKZ-AWEZNQCLSA-N -1 0 301.386 3.562 20 0 DHADRM C[C@@H](c1ccccc1)N(C(=O)C1CCC(C(=O)[O-])CC1)C1CC1 ZINC000833549978 605146848 /nfs/dbraw/zinc/14/68/48/605146848.db2.gz TYAXCGCPUIBZCT-JEYLPNPQSA-N -1 0 315.413 3.630 20 0 DHADRM Cc1cc(Cl)ncc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000830055924 605147355 /nfs/dbraw/zinc/14/73/55/605147355.db2.gz ZSQNKXCXVLANOF-UHFFFAOYSA-N -1 0 323.711 3.525 20 0 DHADRM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000833457212 605149208 /nfs/dbraw/zinc/14/92/08/605149208.db2.gz CFIGXOHBHFBPPL-UHFFFAOYSA-N -1 0 317.429 3.650 20 0 DHADRM CC(C)CC[C@@H]1CCCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833481492 605152703 /nfs/dbraw/zinc/15/27/03/605152703.db2.gz VVOVYQXVMPXJBN-GPANFISMSA-N -1 0 309.450 3.695 20 0 DHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000833524517 605166747 /nfs/dbraw/zinc/16/67/47/605166747.db2.gz GGDHTPXXJYPACG-ZETCQYMHSA-N -1 0 312.156 3.655 20 0 DHADRM 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